#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 -3.40 -3.46 1.61 7.64 -1.26 -5.05 113.62 109.71 1ujt n SER 2 Ca 0.00 -0.63 -0.16 0.00 1.01 0.00 0.00 58.87 59.09 1ujt n SER 2 Cb 0.00 -1.06 -0.12 0.00 -1.01 0.00 0.00 64.21 62.02 1ujt n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ujt s SER 3 N -2.77 1.07 -0.31 6.43 1.04 -1.26 -5.02 113.70 112.89 1ujt s SER 3 Ca 0.66 -0.10 0.18 0.00 0.48 0.00 0.00 55.95 57.17 1ujt s SER 3 Cb -0.16 0.58 0.46 0.00 0.10 0.00 0.00 66.02 66.99 1ujt s SER 3 CO 0.58 -0.32 1.33 0.61 0.98 0.00 0.00 173.24 176.43 1ujt n GLY 4 N 5.33 1.90 3.73 7.32 0.00 -1.26 -5.06 105.19 117.15 1ujt n GLY 4 Ca -0.05 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.39 2.21 -0.99 1.61 1.04 -1.26 -4.95 113.70 108.97 1ujt s SER 5 Ca 0.18 0.66 -0.02 0.00 0.48 0.00 0.00 55.95 57.25 1ujt s SER 5 Cb 0.39 -0.97 0.28 0.00 0.10 0.00 0.00 66.02 65.83 1ujt s SER 5 CO -0.08 -3.33 2.02 -0.24 0.98 0.00 0.00 173.24 172.58 1ujt n SER 6 N -4.23 7.45 -0.70 7.02 2.88 -1.26 -4.67 113.62 120.11 1ujt n SER 6 Ca 0.11 -3.62 -0.04 0.00 -1.33 0.00 0.00 58.87 53.99 1ujt n SER 6 Cb 0.59 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 1ujt n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujt n GLY 7 N 0.13 0.39 0.11 0.46 0.00 -1.26 -4.98 105.19 100.04 1ujt n GLY 7 Ca 0.51 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 1ujt n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujt n ARG 8 N -1.37 0.58 -0.07 1.61 3.00 -1.26 -4.13 116.66 115.03 1ujt n ARG 8 Ca -0.03 0.50 0.01 0.00 -0.01 0.00 0.00 57.85 58.33 1ujt n ARG 8 Cb 0.53 -1.70 0.04 0.00 0.00 0.00 0.00 32.46 31.32 1ujt n ARG 8 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1ujt n GLN 9 N -4.32 1.31 0.04 5.56 7.27 -1.26 -4.02 117.38 121.96 1ujt n GLN 9 Ca -0.36 -0.33 -0.13 0.00 0.07 0.00 0.00 57.00 56.25 1ujt n GLN 9 Cb 0.74 -1.29 -0.09 0.00 2.41 0.00 0.00 30.24 32.01 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 0.48 1.11 -0.08 1.69 3.04 -1.98 0.76 116.25 121.27 1ujt h VAL 10 Ca 0.00 -0.63 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 1ujt h VAL 10 Cb 0.36 1.52 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 1ujt h VAL 10 CO 0.02 0.16 0.00 0.00 -1.01 0.00 0.00 177.57 176.74 1ujt n GLN 11 N -5.00 1.24 -0.05 4.17 6.02 -1.26 -2.37 117.38 120.14 1ujt n GLN 11 Ca -0.08 -0.37 -0.08 0.00 -0.01 0.00 0.00 57.00 56.46 1ujt n GLN 11 Cb 0.18 -1.21 -0.03 0.00 1.02 0.00 0.00 30.24 30.21 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 -0.31 0.36 -0.01 -1.09 0.00 -1.03 -4.60 118.16 111.47 1ujt n LYS 12 Ca 0.09 0.14 -0.11 0.00 0.00 0.00 0.00 58.31 58.44 1ujt n LYS 12 Cb 0.12 -1.12 0.03 0.00 0.00 0.00 0.00 35.03 34.05 1ujt n LYS 12 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1ujt h GLU 13 N -0.66 0.62 0.00 1.64 4.81 -0.99 -2.95 114.58 117.05 1ujt h GLU 13 Ca -0.07 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1ujt h GLU 13 Cb 0.77 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1ujt h GLU 13 CO -0.04 1.02 0.00 -0.11 -0.73 0.00 0.00 179.01 179.15 1ujt n LEU 14 N -3.96 0.00 0.27 1.64 7.94 -1.00 -0.69 117.00 121.20 1ujt n LEU 14 Ca -0.04 0.93 -0.16 0.00 -1.11 0.00 0.00 56.01 55.64 1ujt n LEU 14 Cb 0.62 -0.43 -0.08 0.00 0.53 0.00 0.00 43.42 44.06 1ujt n LEU 14 CO 0.48 -0.43 0.68 1.23 -1.11 0.00 0.00 177.39 178.23 1ujt h GLY 15 N 0.00 -0.76 -0.89 -3.96 0.00 -1.81 -2.84 103.07 92.81 1ujt h GLY 15 Ca 0.00 0.32 0.22 0.00 0.00 0.00 0.00 47.33 47.87 1ujt h GLY 15 CO 0.00 -0.28 -0.07 1.34 0.00 0.00 0.00 176.54 177.53 1ujt n ASP 16 N -5.42 -0.18 -4.66 0.19 -0.08 -1.11 -4.40 116.55 100.89 1ujt n ASP 16 Ca -0.11 1.52 -0.54 0.00 -1.51 0.00 0.00 54.79 54.14 1ujt n ASP 16 Cb 0.32 -0.52 -0.06 0.00 2.34 0.00 0.00 41.12 43.20 1ujt n ASP 16 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1ujt n VAL 17 N -5.35 0.19 -3.47 5.18 0.31 0.13 -4.92 118.33 110.41 1ujt n VAL 17 Ca 0.18 -0.03 -0.43 0.00 -0.01 0.00 0.00 64.34 64.05 1ujt n VAL 17 Cb 0.60 -1.13 -0.10 0.00 -0.91 0.00 0.00 33.84 32.29 1ujt n VAL 17 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1ujt s LEU 18 N 2.25 5.09 -0.08 7.52 0.20 -1.26 -4.77 118.68 127.62 1ujt s LEU 18 Ca 0.91 -0.92 -0.11 0.00 0.69 0.00 0.00 54.13 54.71 1ujt s LEU 18 Cb -0.98 -2.15 -0.05 0.00 -0.43 0.00 0.00 46.19 42.59 1ujt s LEU 18 CO 0.56 -0.45 0.25 -0.69 -0.29 0.00 0.00 176.35 175.73 1ujt s VAL 19 N 1.67 5.31 -0.23 1.68 1.01 -1.26 -3.24 120.40 125.34 1ujt s VAL 19 Ca 0.05 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1ujt s VAL 19 Cb -0.19 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.68 1ujt s VAL 19 CO 0.10 0.58 -0.11 -0.13 0.00 0.00 0.00 175.10 175.54 1ujt s ARG 20 N -0.86 2.74 -0.20 2.72 1.81 0.16 -4.65 118.95 120.67 1ujt s ARG 20 Ca 0.18 -1.02 -0.19 0.00 -1.72 0.00 0.00 55.73 52.98 1ujt s ARG 20 Cb -0.14 -2.86 -0.03 0.00 -0.45 0.00 0.00 34.95 31.47 1ujt s ARG 20 CO 0.07 -0.39 0.55 -1.17 -0.68 0.00 0.00 175.30 173.68 1ujt s LEU 21 N 1.27 4.15 0.59 2.53 2.96 -1.26 -1.19 118.68 127.72 1ujt s LEU 21 Ca -0.01 0.72 -0.04 0.00 -0.22 0.00 0.00 54.13 54.58 1ujt s LEU 21 Cb -0.16 -2.75 0.02 0.00 0.50 0.00 0.00 46.19 43.79 1ujt s LEU 21 CO -0.07 -0.20 0.88 -1.00 -1.32 0.00 0.00 176.35 174.64 1ujt s HIS 22 N 1.69 3.13 -0.02 5.38 3.76 -1.01 -4.82 115.29 123.40 1ujt s HIS 22 Ca 0.25 0.46 -0.33 0.00 -0.15 0.00 0.00 55.06 55.29 1ujt s HIS 22 Cb -0.16 -2.77 -0.12 0.00 1.11 0.00 0.00 32.58 30.65 1ujt s HIS 22 CO 0.10 -0.88 1.85 0.27 -0.85 0.00 0.00 174.74 175.22 1ujt n ASN 23 N -2.55 3.56 -4.58 1.40 0.23 -1.26 -4.69 115.26 107.37 1ujt n ASN 23 Ca 0.05 0.98 -0.28 0.00 -0.53 0.00 0.00 54.58 54.80 1ujt n ASN 23 Cb 0.58 -1.42 -0.06 0.00 -2.08 0.00 0.00 39.78 36.81 1ujt n ASN 23 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1ujt s PRO 24 N 3.56 2.50 -0.00 -0.53 0.04 -1.26 -4.84 135.00 134.46 1ujt s PRO 24 Ca 0.89 -0.98 -0.38 0.00 0.04 0.00 0.00 61.00 60.58 1ujt s PRO 24 Cb -0.63 -5.20 -0.17 0.00 0.04 0.00 0.00 34.50 28.54 1ujt s PRO 24 CO 0.47 -3.87 1.41 0.28 0.04 0.00 0.00 177.00 175.33 1ujt n VAL 25 N 7.83 0.06 -3.27 -0.36 0.31 -1.25 -4.76 118.33 116.90 1ujt n VAL 25 Ca 0.44 -0.01 -0.41 0.00 -0.01 0.00 0.00 64.34 64.35 1ujt n VAL 25 Cb 0.47 -0.86 -0.08 0.00 -0.91 0.00 0.00 33.84 32.46 1ujt n VAL 25 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ujt s VAL 26 N 1.13 5.06 -0.18 2.52 0.11 -1.26 -2.27 120.40 125.50 1ujt s VAL 26 Ca 0.88 0.47 -0.11 0.00 -2.93 0.00 0.00 61.98 60.29 1ujt s VAL 26 Cb -1.00 -3.89 -0.22 0.00 -1.53 0.00 0.00 36.38 29.74 1ujt s VAL 26 CO 0.52 -0.09 0.19 0.18 -3.33 0.00 0.00 175.10 172.56 1ujt n LEU 27 N 5.62 2.37 -3.95 2.54 7.99 -1.24 -5.00 117.00 125.33 1ujt n LEU 27 Ca -0.05 0.25 -0.08 0.00 -0.01 0.00 0.00 56.01 56.11 1ujt n LEU 27 Cb 0.49 -1.02 -0.09 0.00 -0.11 0.00 0.00 43.42 42.69 1ujt n LEU 27 CO 0.43 0.66 -0.21 0.42 -1.51 0.00 0.00 177.39 177.17 1ujt s THR 28 N -2.49 0.17 -2.00 -5.08 -4.23 -0.83 -5.02 115.64 96.15 1ujt s THR 28 Ca -0.27 -1.36 0.10 0.00 -1.18 0.00 0.00 61.69 58.98 1ujt s THR 28 Cb 0.07 -1.28 0.29 0.00 1.34 0.00 0.00 72.50 72.92 1ujt s THR 28 CO 0.67 -0.75 1.04 -0.81 -0.54 0.00 0.00 174.62 174.23 1ujt n PRO 29 N 0.21 0.49 0.00 3.99 -0.04 -1.26 -2.04 135.00 136.34 1ujt n PRO 29 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1ujt n PRO 29 Cb 0.61 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.83 0.00 -3.80 0.52 -2.24 -1.26 -3.17 114.28 103.50 1ujt n THR 30 Ca 0.08 -0.34 -0.12 0.00 -2.27 0.00 0.00 64.05 61.39 1ujt n THR 30 Cb 0.03 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.18 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 -0.65 0.05 -0.07 4.28 2.01 -0.87 -2.17 115.64 118.23 1ujt s THR 31 Ca 0.00 -0.45 -0.04 0.00 0.31 0.00 0.00 61.69 61.50 1ujt s THR 31 Cb 0.00 -0.50 0.03 0.00 0.01 0.00 0.00 72.50 72.04 1ujt s THR 31 CO 0.00 -0.25 0.16 -0.69 -0.69 0.00 0.00 174.62 173.15 1ujt s VAL 32 N -1.04 -0.03 0.46 3.82 1.01 -0.89 -1.97 120.40 121.75 1ujt s VAL 32 Ca -0.11 0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.77 1ujt s VAL 32 Cb -0.05 -0.25 -0.10 0.00 0.00 0.00 0.00 36.38 35.98 1ujt s VAL 32 CO 0.02 0.04 0.96 -1.58 0.00 0.00 0.00 175.10 174.54 1ujt s GLN 33 N 0.71 4.13 -0.01 2.72 0.74 -0.96 -1.70 119.66 125.29 1ujt s GLN 33 Ca -0.05 1.05 0.03 0.00 0.05 0.00 0.00 55.36 56.44 1ujt s GLN 33 Cb -0.07 -2.17 -0.01 0.00 1.10 0.00 0.00 33.01 31.87 1ujt s GLN 33 CO -0.04 -0.11 -0.08 0.08 -0.55 0.00 0.00 175.29 174.59 1ujt s VAL 34 N -2.33 0.66 -0.00 1.34 1.01 0.26 -3.75 120.40 117.59 1ujt s VAL 34 Ca 0.61 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 62.19 1ujt s VAL 34 Cb -0.09 -0.55 -0.00 0.00 0.00 0.00 0.00 36.38 35.73 1ujt s VAL 34 CO 0.19 0.19 0.10 -0.89 0.00 0.00 0.00 175.10 174.69 1ujt s THR 35 N -0.16 0.07 -0.13 3.92 2.01 -1.26 -1.23 115.64 118.87 1ujt s THR 35 Ca 0.03 -0.61 -0.25 0.00 0.31 0.00 0.00 61.69 61.17 1ujt s THR 35 Cb -0.04 -0.35 0.06 0.00 0.01 0.00 0.00 72.50 72.19 1ujt s THR 35 CO -0.00 -0.34 0.61 -1.66 -0.69 0.00 0.00 174.62 172.54 1ujt s TRP 36 N -1.13 -0.61 0.15 4.92 -2.14 -0.85 -2.41 118.94 116.87 1ujt s TRP 36 Ca -0.12 1.27 0.09 0.00 2.66 0.00 0.00 56.10 60.00 1ujt s TRP 36 Cb -0.07 0.29 -0.04 0.00 -3.10 0.00 0.00 33.47 30.55 1ujt s TRP 36 CO 0.01 -0.45 -0.16 -0.08 -2.66 0.00 0.00 176.95 173.60 1ujt s THR 37 N -0.52 2.87 -0.06 0.66 -1.32 -0.33 -4.78 115.64 112.16 1ujt s THR 37 Ca -0.06 -1.63 0.02 0.00 -1.21 0.00 0.00 61.69 58.80 1ujt s THR 37 Cb -0.03 -2.36 0.01 0.00 -1.51 0.00 0.00 72.50 68.62 1ujt s THR 37 CO 0.05 0.00 -0.11 0.68 -2.21 0.00 0.00 174.62 173.04 1ujt s VAL 38 N -1.40 1.00 0.06 5.08 -7.23 -1.26 -0.67 120.40 115.99 1ujt s VAL 38 Ca 0.20 -0.40 -0.21 0.00 -1.81 0.00 0.00 61.98 59.77 1ujt s VAL 38 Cb -0.10 -0.93 -0.11 0.00 0.56 0.00 0.00 36.38 35.80 1ujt s VAL 38 CO 0.12 0.32 1.50 0.44 -0.31 0.00 0.00 175.10 177.17 1ujt h ASP 39 N 6.98 0.29 -3.61 4.85 3.32 -1.96 -3.39 116.42 122.90 1ujt h ASP 39 Ca -0.33 -0.30 -0.64 0.00 0.02 0.00 0.00 57.03 55.79 1ujt h ASP 39 Cb 1.18 -0.08 -0.40 0.00 0.22 0.00 0.00 39.33 40.25 1ujt h ASP 39 CO 0.48 0.52 -0.72 -0.13 -1.72 0.00 0.00 179.24 177.67 1ujt s ARG 40 N -5.00 1.32 -0.08 3.56 0.52 -1.26 -5.08 118.95 112.93 1ujt s ARG 40 Ca -0.14 -1.75 -0.29 0.00 -0.52 0.00 0.00 55.73 53.03 1ujt s ARG 40 Cb 0.06 -2.87 -0.06 0.00 0.52 0.00 0.00 34.95 32.60 1ujt s ARG 40 CO 0.72 -0.98 1.80 -1.14 0.02 0.00 0.00 175.30 175.72 1ujt s GLN 41 N 0.95 3.99 0.49 3.54 0.74 -1.26 -4.85 119.66 123.25 1ujt s GLN 41 Ca 0.12 2.20 -0.22 0.00 0.05 0.00 0.00 55.36 57.51 1ujt s GLN 41 Cb -0.19 -4.09 -0.07 0.00 1.10 0.00 0.00 33.01 29.76 1ujt s GLN 41 CO -0.11 -1.10 1.15 -1.25 -0.55 0.00 0.00 175.29 173.43 1ujt s PRO 42 N 4.53 3.61 -0.22 1.67 0.04 -1.26 -4.99 135.00 138.38 1ujt s PRO 42 Ca 0.80 1.72 -0.16 0.00 0.04 0.00 0.00 61.00 63.40 1ujt s PRO 42 Cb -0.34 -2.26 -0.18 0.00 0.04 0.00 0.00 34.50 31.75 1ujt s PRO 42 CO 0.34 -0.66 0.06 1.04 0.04 0.00 0.00 177.00 177.81 1ujt n GLN 43 N -0.78 0.61 -0.37 4.56 6.02 -1.26 -4.36 117.38 121.80 1ujt n GLN 43 Ca 0.09 0.42 -0.02 0.00 -0.01 0.00 0.00 57.00 57.48 1ujt n GLN 43 Cb 0.49 -1.66 0.12 0.00 1.02 0.00 0.00 30.24 30.21 1ujt n GLN 43 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1ujt h PHE 44 N -0.77 1.24 -1.13 1.08 -0.00 -1.97 -3.44 116.94 111.94 1ujt h PHE 44 Ca -0.47 0.03 -0.41 0.00 -0.00 0.00 0.00 57.97 57.12 1ujt h PHE 44 Cb 1.54 -0.42 0.11 0.00 -0.00 0.00 0.00 35.95 37.17 1ujt h PHE 44 CO 0.04 0.79 -0.64 1.51 -0.00 0.00 0.00 178.31 180.00 1ujt n ILE 45 N -4.38 0.36 -0.06 0.88 3.06 -1.26 -4.89 119.36 113.06 1ujt n ILE 45 Ca 0.12 -0.33 -0.03 0.00 -2.50 0.00 0.00 62.75 60.01 1ujt n ILE 45 Cb 0.01 0.00 -0.15 0.00 0.54 0.00 0.00 39.64 40.05 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 0.89 0.88 0.00 9.51 1.13 -1.02 -4.98 117.38 123.79 1ujt n GLN 46 Ca 0.07 -0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1ujt n GLN 46 Cb 0.27 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.15 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 1.71 0.62 3.35 1.08 0.00 -1.24 -4.06 105.19 106.64 1ujt n GLY 47 Ca -0.21 0.33 0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 1.97 -1.34 -0.38 1.61 2.02 -1.26 -4.44 117.35 115.53 1ujt s TYR 48 Ca 0.00 1.79 -0.26 0.00 -0.37 0.00 0.00 57.07 58.23 1ujt s TYR 48 Cb 0.00 0.61 0.02 0.00 -0.40 0.00 0.00 41.96 42.18 1ujt s TYR 48 CO 0.00 -0.71 0.93 0.50 -1.57 0.00 0.00 175.55 174.71 1ujt s ARG 49 N 2.85 3.81 -0.92 -0.62 3.52 -1.19 -3.31 118.95 123.08 1ujt s ARG 49 Ca 0.08 0.55 -0.12 0.00 -0.13 0.00 0.00 55.73 56.10 1ujt s ARG 49 Cb -0.13 -3.82 0.24 0.00 -1.56 0.00 0.00 34.95 29.69 1ujt s ARG 49 CO -0.19 -0.98 0.88 0.08 -0.81 0.00 0.00 175.30 174.28 1ujt s VAL 50 N 3.53 5.72 0.76 7.11 1.01 -0.93 -3.43 120.40 134.17 1ujt s VAL 50 Ca 0.38 -2.81 -0.13 0.00 0.00 0.00 0.00 61.98 59.42 1ujt s VAL 50 Cb -0.12 -4.50 0.05 0.00 0.00 0.00 0.00 36.38 31.82 1ujt s VAL 50 CO 0.20 -1.08 1.13 -0.04 0.00 0.00 0.00 175.10 175.30 1ujt s MET 51 N -0.34 2.15 -0.17 2.72 -1.94 -1.06 -2.09 119.30 118.56 1ujt s MET 51 Ca 0.22 1.42 -0.30 0.00 -1.71 0.00 0.00 55.69 55.32 1ujt s MET 51 Cb -0.10 -1.87 0.14 0.00 2.01 0.00 0.00 34.83 35.01 1ujt s MET 51 CO -0.09 -1.76 1.08 1.52 -0.01 0.00 0.00 175.02 175.76 1ujt s TYR 52 N -2.52 -0.27 0.10 -0.03 1.13 -0.94 -2.99 117.35 111.83 1ujt s TYR 52 Ca 0.66 0.39 -0.26 0.00 -1.41 0.00 0.00 57.07 56.46 1ujt s TYR 52 Cb -0.21 0.48 0.09 0.00 -1.10 0.00 0.00 41.96 41.21 1ujt s TYR 52 CO 0.50 -0.29 1.11 -0.98 -2.51 0.00 0.00 175.55 173.39 1ujt s ARG 53 N -1.54 0.93 0.25 -3.49 1.70 -1.06 -0.94 118.95 114.80 1ujt s ARG 53 Ca 0.03 -0.57 -0.08 0.00 -0.47 0.00 0.00 55.73 54.64 1ujt s ARG 53 Cb -0.01 0.28 -0.07 0.00 -0.57 0.00 0.00 34.95 34.59 1ujt s ARG 53 CO -0.02 -0.43 0.56 -1.14 -1.08 0.00 0.00 175.30 173.18 1ujt s GLN 54 N -2.48 3.76 -0.26 3.89 0.74 -1.26 -2.36 119.66 121.68 1ujt s GLN 54 Ca 0.19 0.21 -0.11 0.00 0.05 0.00 0.00 55.36 55.70 1ujt s GLN 54 Cb -0.00 -2.64 -0.14 0.00 1.10 0.00 0.00 33.01 31.33 1ujt s GLN 54 CO 0.02 0.27 -0.25 0.25 -0.55 0.00 0.00 175.29 175.03 1ujt n THR 55 N -0.39 1.53 -4.29 -0.34 -2.24 -1.08 -2.45 114.28 105.01 1ujt n THR 55 Ca 0.00 -0.40 -0.17 0.00 -2.27 0.00 0.00 64.05 61.21 1ujt n THR 55 Cb 0.53 -1.79 -0.10 0.00 -2.10 0.00 0.00 70.33 66.86 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 -7.22 2.19 0.00 3.42 0.01 -1.26 -4.11 113.70 106.73 1ujt s SER 56 Ca -0.37 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 55.93 1ujt s SER 56 Cb 0.13 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.28 1ujt s SER 56 CO 0.53 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.58 1ujt n GLY 57 N -0.10 0.18 0.43 3.44 0.00 -1.26 -4.50 105.19 103.37 1ujt n GLY 57 Ca -0.11 -1.34 -0.16 0.00 0.00 0.00 0.00 46.02 44.41 1ujt n GLY 57 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ujt n LEU 58 N 0.00 1.38 -0.30 0.99 -0.00 -1.26 -4.52 117.00 113.30 1ujt n LEU 58 Ca 0.00 0.23 0.01 0.00 -0.00 0.00 0.00 56.01 56.25 1ujt n LEU 58 Cb 0.00 -0.56 0.02 0.00 -0.00 0.00 0.00 43.42 42.88 1ujt n LEU 58 CO 0.00 0.18 0.42 0.00 -0.00 0.00 0.00 177.39 177.99 1ujt n GLN 59 N -3.90 1.16 -1.88 1.96 3.00 -1.26 -4.81 117.38 111.64 1ujt n GLN 59 Ca -0.30 -0.17 -0.41 0.00 -0.01 0.00 0.00 57.00 56.11 1ujt n GLN 59 Cb 0.66 -1.25 -0.01 0.00 0.00 0.00 0.00 30.24 29.63 1ujt n GLN 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ujt s ALA 60 N -1.58 3.62 -0.91 -1.58 0.00 -1.26 -2.62 121.76 117.43 1ujt s ALA 60 Ca 0.03 1.48 -0.12 0.00 0.00 0.00 0.00 51.96 53.35 1ujt s ALA 60 Cb 0.02 -3.59 0.12 0.00 0.00 0.00 0.00 23.12 19.66 1ujt s ALA 60 CO 0.02 -0.91 0.29 -2.37 0.00 0.00 0.00 175.76 172.78 1ujt n THR 61 N 1.38 0.00 -0.05 0.00 5.66 -1.02 -4.71 114.28 115.53 1ujt n THR 61 Ca 0.04 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.83 1ujt n THR 61 Cb 0.39 -0.24 -0.13 0.00 -1.55 0.00 0.00 70.33 68.80 1ujt n THR 61 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1ujt n SER 62 N -1.34 2.04 -3.65 1.09 2.88 -1.08 -5.01 113.62 108.56 1ujt n SER 62 Ca 0.06 0.16 -0.01 0.00 -1.33 0.00 0.00 58.87 57.75 1ujt n SER 62 Cb 0.32 -0.76 -0.06 0.00 -0.75 0.00 0.00 64.21 62.96 1ujt n SER 62 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ujt s SER 63 N -6.92 -0.23 0.17 -3.46 0.01 -1.26 -5.16 113.70 96.84 1ujt s SER 63 Ca -0.28 0.39 -0.25 0.00 1.31 0.00 0.00 55.95 57.12 1ujt s SER 63 Cb 0.08 0.93 -0.08 0.00 0.21 0.00 0.00 66.02 67.16 1ujt s SER 63 CO 0.68 -0.06 0.78 0.26 0.41 0.00 0.00 173.24 175.31 1ujt s TRP 64 N 0.92 3.91 0.44 2.43 0.52 -1.26 -4.79 118.94 121.11 1ujt s TRP 64 Ca -0.05 1.64 0.08 0.00 0.02 0.00 0.00 56.10 57.78 1ujt s TRP 64 Cb -0.03 -2.77 0.00 0.00 -1.15 0.00 0.00 33.47 29.52 1ujt s TRP 64 CO -0.12 0.51 0.48 -0.65 0.02 0.00 0.00 176.95 177.19 1ujt s GLN 65 N -1.16 2.59 -0.08 4.98 -0.21 -0.12 -4.95 119.66 120.71 1ujt s GLN 65 Ca 0.36 -1.49 -0.03 0.00 0.02 0.00 0.00 55.36 54.22 1ujt s GLN 65 Cb -0.23 -2.50 0.04 0.00 1.00 0.00 0.00 33.01 31.32 1ujt s GLN 65 CO 0.26 -0.31 0.16 -0.80 -2.12 0.00 0.00 175.29 172.48 1ujt s ASN 66 N -4.26 0.32 -0.47 5.90 0.01 -1.26 -2.21 114.94 112.98 1ujt s ASN 66 Ca 0.51 0.33 -0.12 0.00 -0.71 0.00 0.00 52.86 52.87 1ujt s ASN 66 Cb -0.06 0.26 0.10 0.00 0.41 0.00 0.00 41.25 41.96 1ujt s ASN 66 CO 0.30 -0.20 0.36 -0.22 -1.51 0.00 0.00 177.10 175.83 1ujt s LEU 67 N 1.77 5.59 -0.84 0.60 2.96 -0.89 -4.91 118.68 122.96 1ujt s LEU 67 Ca -0.03 -1.60 -0.25 0.00 -0.22 0.00 0.00 54.13 52.03 1ujt s LEU 67 Cb -0.12 -2.09 0.01 0.00 0.50 0.00 0.00 46.19 44.50 1ujt s LEU 67 CO -0.06 -0.66 1.57 1.51 -1.32 0.00 0.00 176.35 177.39 1ujt s ASP 68 N 2.64 5.91 0.40 3.68 1.47 -1.26 -2.19 116.67 127.33 1ujt s ASP 68 Ca 0.04 -0.68 0.15 0.00 1.18 0.00 0.00 52.55 53.23 1ujt s ASP 68 Cb -0.25 -2.56 1.01 0.00 -0.34 0.00 0.00 42.92 40.78 1ujt s ASP 68 CO 0.03 -2.01 1.86 0.00 0.68 0.00 0.00 175.17 175.73 1ujt h ALA 69 N 11.08 2.09 -4.70 2.11 0.00 -1.95 -3.46 119.26 124.43 1ujt h ALA 69 Ca -0.04 0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.54 1ujt h ALA 69 Cb 1.05 -0.05 0.10 0.00 0.00 0.00 0.00 17.79 18.88 1ujt h ALA 69 CO 1.30 -0.37 -0.56 1.63 0.00 0.00 0.00 179.25 181.26 1ujt n LYS 70 N -4.54 -5.93 -3.15 0.00 4.76 -1.26 -4.98 118.16 103.07 1ujt n LYS 70 Ca 0.19 0.73 0.05 0.00 -2.87 0.00 0.00 58.31 56.41 1ujt n LYS 70 Cb 0.63 -5.38 -0.01 0.00 -1.84 0.00 0.00 35.03 28.44 1ujt n LYS 70 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1ujt s VAL 71 N -3.21 -0.56 -0.41 -0.18 0.11 -1.26 -5.02 120.40 109.87 1ujt s VAL 71 Ca 0.42 0.00 0.25 0.00 -2.93 0.00 0.00 61.98 59.72 1ujt s VAL 71 Cb -0.18 -0.78 0.26 0.00 -1.53 0.00 0.00 36.38 34.15 1ujt s VAL 71 CO 0.52 0.00 1.74 1.55 -3.33 0.00 0.00 175.10 175.58 1ujt h PRO 72 N 7.78 0.00 -0.79 1.54 0.13 -1.85 -2.72 132.00 136.10 1ujt h PRO 72 Ca -0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 1ujt h PRO 72 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1ujt h PRO 72 CO 0.02 0.00 0.02 0.25 -0.23 0.00 0.00 178.00 178.05 1ujt n THR 73 N -2.33 1.52 -4.36 1.56 -2.24 -1.26 -4.82 114.28 102.34 1ujt n THR 73 Ca 0.02 -0.77 -0.21 0.00 -2.27 0.00 0.00 64.05 60.83 1ujt n THR 73 Cb 0.23 -0.40 -0.16 0.00 -2.10 0.00 0.00 70.33 67.91 1ujt n THR 73 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ujt s GLU 74 N -1.94 1.03 -0.15 -0.78 0.41 -1.03 -5.02 118.70 111.21 1ujt s GLU 74 Ca 0.29 -0.27 0.14 0.00 -0.41 0.00 0.00 54.97 54.73 1ujt s GLU 74 Cb 0.23 -0.95 0.37 0.00 -1.78 0.00 0.00 34.13 32.00 1ujt s GLU 74 CO 0.08 0.05 1.19 0.54 -0.49 0.00 0.00 175.26 176.63 1ujt n ARG 75 N 3.55 1.24 -3.71 1.61 3.00 -1.26 -4.94 116.66 116.15 1ujt n ARG 75 Ca -0.21 -2.85 -0.11 0.00 -0.01 0.00 0.00 57.85 54.67 1ujt n ARG 75 Cb 0.53 -1.34 -0.11 0.00 0.00 0.00 0.00 32.46 31.54 1ujt n ARG 75 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1ujt s SER 76 N -2.89 -0.45 0.13 0.55 1.04 -1.26 -2.01 113.70 108.82 1ujt s SER 76 Ca 0.34 0.81 0.02 0.00 0.48 0.00 0.00 55.95 57.60 1ujt s SER 76 Cb 0.33 0.72 -0.04 0.00 0.10 0.00 0.00 66.02 67.12 1ujt s SER 76 CO -0.05 -0.18 -0.04 0.00 0.98 0.00 0.00 173.24 173.96 1ujt s ALA 77 N 1.11 1.13 -0.30 5.32 0.00 -0.36 -4.96 121.76 123.70 1ujt s ALA 77 Ca -0.07 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.44 1ujt s ALA 77 Cb -0.07 0.34 0.09 0.00 0.00 0.00 0.00 23.12 23.47 1ujt s ALA 77 CO -0.09 -0.27 0.04 0.08 0.00 0.00 0.00 175.76 175.52 1ujt s VAL 78 N -3.65 1.47 -0.35 0.00 1.01 -1.26 0.91 120.40 118.54 1ujt s VAL 78 Ca 0.17 -1.61 -0.29 0.00 0.00 0.00 0.00 61.98 60.25 1ujt s VAL 78 Cb 0.06 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.45 1ujt s VAL 78 CO -0.01 -0.48 1.35 -0.76 0.00 0.00 0.00 175.10 175.20 1ujt s LEU 79 N 1.35 3.76 0.47 3.92 1.43 -0.69 -4.89 118.68 124.03 1ujt s LEU 79 Ca 0.06 1.05 0.08 0.00 -1.03 0.00 0.00 54.13 54.28 1ujt s LEU 79 Cb -0.18 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.51 1ujt s LEU 79 CO -0.14 -1.23 0.48 0.68 0.23 0.00 0.00 176.35 176.37 1ujt s VAL 80 N 4.83 2.42 -1.05 -1.59 -7.23 -1.26 -2.10 120.40 114.41 1ujt s VAL 80 Ca 0.58 -1.27 -0.02 0.00 -1.81 0.00 0.00 61.98 59.47 1ujt s VAL 80 Cb -0.15 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.11 1ujt s VAL 80 CO 0.27 0.00 0.88 0.59 -0.31 0.00 0.00 175.10 176.54 1ujt n ASN 81 N -1.75 -2.98 -4.93 4.85 3.02 -1.01 -4.98 115.26 107.47 1ujt n ASN 81 Ca 0.05 -0.51 -0.20 0.00 -0.03 0.00 0.00 54.58 53.90 1ujt n ASN 81 Cb 0.62 -4.38 -0.01 0.00 -0.61 0.00 0.00 39.78 35.39 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 -5.84 3.44 0.35 3.41 1.43 -0.92 -5.07 118.68 115.47 1ujt s LEU 82 Ca 0.13 -0.66 -0.12 0.00 -1.03 0.00 0.00 54.13 52.44 1ujt s LEU 82 Cb -0.06 -2.20 -0.08 0.00 0.03 0.00 0.00 46.19 43.88 1ujt s LEU 82 CO 0.62 -0.74 0.73 -0.75 0.23 0.00 0.00 176.35 176.44 1ujt s LYS 83 N -4.24 3.88 -0.21 1.70 2.36 -1.26 -4.59 119.74 117.39 1ujt s LYS 83 Ca 0.51 0.54 -0.07 0.00 -2.55 0.00 0.00 55.97 54.40 1ujt s LYS 83 Cb -0.06 -2.43 -0.03 0.00 -1.05 0.00 0.00 37.83 34.26 1ujt s LYS 83 CO 0.30 0.08 0.05 -1.59 1.55 0.00 0.00 175.35 175.75 1ujt s LYS 84 N -3.36 3.80 0.00 4.03 0.00 -1.19 -4.60 119.74 118.42 1ujt s LYS 84 Ca 0.52 -0.42 0.00 0.00 0.00 0.00 0.00 55.97 56.07 1ujt s LYS 84 Cb -0.10 -3.23 0.00 0.00 0.00 0.00 0.00 37.83 34.50 1ujt s LYS 84 CO 0.24 0.07 0.00 0.41 0.00 0.00 0.00 175.35 176.07 1ujt n GLY 85 N 4.14 0.56 3.62 0.59 0.00 0.12 -4.89 105.19 109.34 1ujt n GLY 85 Ca -0.16 -0.27 -0.05 0.00 0.00 0.00 0.00 46.02 45.53 1ujt n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujt s VAL 86 N -1.92 0.00 0.35 1.61 0.11 -1.14 -4.97 120.40 114.44 1ujt s VAL 86 Ca 0.00 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.80 1ujt s VAL 86 Cb 0.00 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.75 1ujt s VAL 86 CO 0.00 0.00 0.98 -0.89 -3.33 0.00 0.00 175.10 171.86 1ujt s THR 87 N -0.84 4.06 -0.10 5.04 2.01 -1.26 -2.34 115.64 122.21 1ujt s THR 87 Ca 0.05 1.66 0.01 0.00 0.31 0.00 0.00 61.69 63.71 1ujt s THR 87 Cb -0.02 -3.90 0.02 0.00 0.01 0.00 0.00 72.50 68.62 1ujt s THR 87 CO -0.06 0.09 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.55 1ujt s TYR 88 N -1.64 1.56 -0.18 4.92 1.51 0.78 -2.65 117.35 121.66 1ujt s TYR 88 Ca 0.53 -0.72 -0.18 0.00 -1.01 0.00 0.00 57.07 55.69 1ujt s TYR 88 Cb -0.20 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.40 1ujt s TYR 88 CO 0.25 -0.44 0.47 -2.00 -1.11 0.00 0.00 175.55 172.72 1ujt s GLU 89 N 1.25 4.22 0.03 -0.62 2.12 -1.00 -0.98 118.70 123.73 1ujt s GLU 89 Ca -0.03 0.35 0.04 0.00 0.36 0.00 0.00 54.97 55.69 1ujt s GLU 89 Cb -0.14 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.71 1ujt s GLU 89 CO -0.04 -0.03 -0.11 0.42 -0.54 0.00 0.00 175.26 174.96 1ujt s ILE 90 N 1.26 0.89 -0.06 -3.70 1.01 -0.55 -2.58 121.20 117.47 1ujt s ILE 90 Ca 0.23 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 59.96 1ujt s ILE 90 Cb -0.15 -0.82 0.01 0.00 0.01 0.00 0.00 42.46 41.52 1ujt s ILE 90 CO 0.09 -0.03 0.17 -1.59 0.00 0.00 0.00 174.94 173.58 1ujt s LYS 91 N -0.99 0.23 0.01 2.79 0.00 -1.16 -1.99 119.74 118.63 1ujt s LYS 91 Ca -0.00 0.16 0.02 0.00 0.00 0.00 0.00 55.97 56.14 1ujt s LYS 91 Cb -0.07 0.11 -0.04 0.00 0.00 0.00 0.00 37.83 37.83 1ujt s LYS 91 CO 0.01 -0.04 0.00 0.08 0.00 0.00 0.00 175.35 175.40 1ujt s VAL 92 N -0.09 4.15 -0.25 1.79 1.01 -1.26 -2.57 120.40 123.17 1ujt s VAL 92 Ca -0.02 -0.63 -0.25 0.00 0.00 0.00 0.00 61.98 61.08 1ujt s VAL 92 Cb -0.02 -2.86 0.07 0.00 0.00 0.00 0.00 36.38 33.57 1ujt s VAL 92 CO 0.00 0.35 0.71 0.00 0.00 0.00 0.00 175.10 176.17 1ujt s ARG 93 N -1.62 0.85 0.53 2.72 1.70 -1.22 -1.04 118.95 120.87 1ujt s ARG 93 Ca 0.20 0.93 -0.20 0.00 -0.47 0.00 0.00 55.73 56.19 1ujt s ARG 93 Cb -0.12 0.41 -0.06 0.00 -0.57 0.00 0.00 34.95 34.62 1ujt s ARG 93 CO 0.11 -0.12 1.13 -1.25 -1.08 0.00 0.00 175.30 174.10 1ujt s PRO 94 N 0.24 3.40 -0.13 3.89 0.04 -1.26 -3.16 135.00 138.02 1ujt s PRO 94 Ca -0.01 1.63 -0.24 0.00 0.04 0.00 0.00 61.00 62.43 1ujt s PRO 94 Cb -0.05 -2.06 0.06 0.00 0.04 0.00 0.00 34.50 32.50 1ujt s PRO 94 CO 0.02 -0.81 0.58 1.52 0.04 0.00 0.00 177.00 178.35 1ujt s TYR 95 N -1.74 -0.59 -0.07 0.56 -0.85 -1.26 0.02 117.35 113.41 1ujt s TYR 95 Ca 0.72 1.23 -0.07 0.00 -0.52 0.00 0.00 57.07 58.43 1ujt s TYR 95 Cb -0.25 0.27 -0.02 0.00 0.38 0.00 0.00 41.96 42.34 1ujt s TYR 95 CO 0.28 -0.43 -0.14 0.34 -1.52 0.00 0.00 175.55 174.07 1ujt n PHE 96 N 1.87 0.00 0.03 -3.49 7.35 -1.26 -2.44 117.46 119.53 1ujt n PHE 96 Ca -0.17 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.51 1ujt n PHE 96 Cb 0.56 -0.21 -0.00 0.00 0.35 0.00 0.00 39.48 40.18 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 -3.32 1.22 0.02 -2.13 4.13 -1.26 -4.23 115.26 109.68 1ujt n ASN 97 Ca -0.06 0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.37 1ujt n ASN 97 Cb 0.22 -0.39 0.00 0.00 -1.54 0.00 0.00 39.78 38.07 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 -3.62 0.00 -0.65 3.52 0.28 -1.26 -5.10 120.64 113.81 1ujt n GLU 98 Ca -0.02 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.66 1ujt n GLU 98 Cb 0.08 -0.23 0.18 0.00 1.43 0.00 0.00 31.44 32.90 1ujt n GLU 98 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 1ujt n PHE 99 N -2.84 -1.40 -3.74 -1.84 -1.74 -1.26 -5.04 117.46 99.60 1ujt n PHE 99 Ca 0.00 0.10 -0.14 0.00 -0.56 0.00 0.00 57.45 56.86 1ujt n PHE 99 Cb 0.19 -1.59 -0.14 0.00 1.52 0.00 0.00 39.48 39.46 1ujt n PHE 99 CO 0.00 0.00 0.00 -0.65 -0.56 0.00 0.00 176.76 175.55 1ujt s GLN 100 N -3.58 0.10 0.00 3.97 -0.21 -1.26 -4.04 119.66 114.64 1ujt s GLN 100 Ca 0.58 0.39 0.00 0.00 0.02 0.00 0.00 55.36 56.35 1ujt s GLN 100 Cb -0.14 -0.18 0.00 0.00 1.00 0.00 0.00 33.01 33.69 1ujt s GLN 100 CO 0.66 -0.17 0.00 0.41 -2.12 0.00 0.00 175.29 174.07 1ujt n GLY 101 N 4.24 -0.91 3.02 3.09 0.00 0.10 -4.90 105.19 109.83 1ujt n GLY 101 Ca -0.26 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 0.56 -0.38 1.61 -1.94 -1.26 -4.72 119.30 113.17 1ujt s MET 102 Ca 0.00 -0.44 -0.29 0.00 -1.71 0.00 0.00 55.69 53.25 1ujt s MET 102 Cb 0.00 -0.48 0.02 0.00 2.01 0.00 0.00 34.83 36.38 1ujt s MET 102 CO 0.00 0.12 1.16 0.16 -0.01 0.00 0.00 175.02 176.45 1ujt s ASP 103 N -0.67 6.73 1.11 3.03 -4.77 -1.26 -4.30 116.67 116.53 1ujt s ASP 103 Ca -0.01 0.83 -0.12 0.00 -3.30 0.00 0.00 52.55 49.95 1ujt s ASP 103 Cb -0.05 -2.55 0.25 0.00 -1.09 0.00 0.00 42.92 39.49 1ujt s ASP 103 CO 0.00 -1.10 1.06 -0.44 0.70 0.00 0.00 175.17 175.39 1ujt s SER 104 N 2.33 1.35 -0.35 2.11 0.01 -0.21 -4.77 113.70 114.17 1ujt s SER 104 Ca 0.49 1.75 -0.40 0.00 1.31 0.00 0.00 55.95 59.10 1ujt s SER 104 Cb -0.11 -2.42 -0.15 0.00 0.21 0.00 0.00 66.02 63.55 1ujt s SER 104 CO 0.24 -4.01 1.90 -0.62 0.41 0.00 0.00 173.24 171.17 1ujt n GLU 105 N -4.80 0.86 -1.88 12.44 -0.58 -1.26 -4.59 120.64 120.82 1ujt n GLU 105 Ca 0.05 0.29 -0.40 0.00 -0.42 0.00 0.00 57.16 56.68 1ujt n GLU 105 Cb 0.53 -2.05 -0.03 0.00 -0.57 0.00 0.00 31.44 29.32 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 4.80 5.40 0.04 1.62 1.04 -1.26 -4.71 113.70 120.63 1ujt s SER 106 Ca 1.05 1.06 -0.16 0.00 0.48 0.00 0.00 55.95 58.38 1ujt s SER 106 Cb -1.12 -2.52 -0.06 0.00 0.10 0.00 0.00 66.02 62.42 1ujt s SER 106 CO 0.63 -2.14 0.48 -0.54 0.98 0.00 0.00 173.24 172.65 1ujt s LYS 107 N 6.61 4.01 -0.13 4.02 -0.14 -0.84 -4.87 119.74 128.39 1ujt s LYS 107 Ca 0.82 0.52 -0.03 0.00 -1.36 0.00 0.00 55.97 55.92 1ujt s LYS 107 Cb -0.20 -3.19 -0.03 0.00 -1.68 0.00 0.00 37.83 32.73 1ujt s LYS 107 CO 0.29 0.65 -0.01 0.95 -0.76 0.00 0.00 175.35 176.46 1ujt s THR 108 N -1.14 4.16 -0.17 2.17 -4.23 -1.26 -1.48 115.64 113.69 1ujt s THR 108 Ca 0.27 -0.28 0.01 0.00 -1.18 0.00 0.00 61.69 60.51 1ujt s THR 108 Cb -0.17 -2.79 0.02 0.00 1.34 0.00 0.00 72.50 70.89 1ujt s THR 108 CO 0.16 0.54 -0.19 0.54 -0.54 0.00 0.00 174.62 175.13 1ujt s VAL 109 N -0.20 1.99 -0.42 2.29 0.11 -0.15 -4.85 120.40 119.16 1ujt s VAL 109 Ca 0.05 -0.90 -0.20 0.00 -2.93 0.00 0.00 61.98 58.00 1ujt s VAL 109 Cb -0.13 -1.80 0.02 0.00 -1.53 0.00 0.00 36.38 32.94 1ujt s VAL 109 CO 0.02 0.53 0.61 -0.60 -3.33 0.00 0.00 175.10 172.33 1ujt s ARG 110 N 1.28 3.32 -0.55 1.54 3.52 -1.26 -0.15 118.95 126.64 1ujt s ARG 110 Ca 0.04 -0.36 -0.26 0.00 -0.13 0.00 0.00 55.73 55.03 1ujt s ARG 110 Cb -0.13 -3.93 0.04 0.00 -1.56 0.00 0.00 34.95 29.36 1ujt s ARG 110 CO -0.12 -0.94 1.03 0.95 -0.81 0.00 0.00 175.30 175.41 1ujt s THR 111 N 2.72 4.26 1.06 4.11 -4.23 -0.99 -4.94 115.64 117.63 1ujt s THR 111 Ca 0.21 0.55 -0.19 0.00 -1.18 0.00 0.00 61.69 61.09 1ujt s THR 111 Cb -0.14 -4.60 0.03 0.00 1.34 0.00 0.00 72.50 69.13 1ujt s THR 111 CO 0.18 -1.17 -0.19 1.07 -0.54 0.00 0.00 174.62 173.97 1ujt n THR 112 N 6.39 0.00 -4.78 3.99 5.66 -1.26 0.16 114.28 124.44 1ujt n THR 112 Ca 0.05 -0.25 -0.27 0.00 -3.05 0.00 0.00 64.05 60.53 1ujt n THR 112 Cb 0.48 -0.48 -0.17 0.00 -1.55 0.00 0.00 70.33 68.61 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 -3.18 2.08 -0.09 1.09 -1.05 -1.26 -3.05 118.70 113.24 1ujt s GLU 113 Ca 0.52 -0.55 -0.11 0.00 -0.15 0.00 0.00 54.97 54.68 1ujt s GLU 113 Cb -0.11 -1.66 -0.05 0.00 -0.44 0.00 0.00 34.13 31.87 1ujt s GLU 113 CO 0.68 0.08 0.25 -1.21 0.95 0.00 0.00 175.26 176.01 1ujt s GLU 114 N 0.54 3.73 -0.08 -4.83 0.41 -1.26 -5.04 118.70 112.17 1ujt s GLU 114 Ca -0.15 0.08 0.00 0.00 -0.41 0.00 0.00 54.97 54.49 1ujt s GLU 114 Cb -0.16 -3.24 0.02 0.00 -1.78 0.00 0.00 34.13 28.97 1ujt s GLU 114 CO 0.05 0.67 -0.05 -1.12 -0.49 0.00 0.00 175.26 174.32 1ujt s SER 115 N -0.81 1.67 0.83 -0.19 0.01 -1.26 -5.09 113.70 108.86 1ujt s SER 115 Ca 0.18 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.24 1ujt s SER 115 Cb -0.14 -0.63 0.00 0.00 0.21 0.00 0.00 66.02 65.46 1ujt s SER 115 CO 0.07 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.22 1ujt n GLY 116 N 4.64 1.18 3.54 3.44 0.00 -1.26 -4.81 105.19 111.93 1ujt n GLY 116 Ca -0.15 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 1ujt n GLY 116 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ujt n PRO 117 N 3.04 -3.19 -3.67 1.61 -0.04 -1.26 -5.09 135.00 126.40 1ujt n PRO 117 Ca 0.00 -1.77 -0.09 0.00 -0.04 0.00 0.00 63.50 61.61 1ujt n PRO 117 Cb 0.00 -1.66 -0.09 0.00 -0.04 0.00 0.00 33.50 31.71 1ujt n PRO 117 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ujt s SER 118 N -4.48 -0.71 0.21 3.54 0.15 -1.26 -5.14 113.70 106.02 1ujt s SER 118 Ca 0.72 1.18 -0.30 0.00 0.70 0.00 0.00 55.95 58.25 1ujt s SER 118 Cb -0.07 1.10 -0.16 0.00 -1.71 0.00 0.00 66.02 65.18 1ujt s SER 118 CO 0.55 -0.22 0.89 -0.24 1.20 0.00 0.00 173.24 175.43 1ujt n SER 119 N 4.37 0.37 0.00 5.45 2.88 -1.26 -5.25 113.62 120.18 1ujt n SER 119 Ca -0.21 1.15 0.12 0.00 -1.33 0.00 0.00 58.87 58.60 1ujt n SER 119 Cb 0.56 -1.13 0.69 0.00 -0.75 0.00 0.00 64.21 63.58 1ujt n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42