#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 -0.22 -0.58 1.61 0.01 -1.26 -5.10 113.70 108.16 1ujt s SER 2 Ca 0.00 -0.54 -0.27 0.00 1.31 0.00 0.00 55.95 56.45 1ujt s SER 2 Cb 0.00 0.64 -0.02 0.00 0.21 0.00 0.00 66.02 66.85 1ujt s SER 2 CO 0.00 -1.18 1.83 -0.94 0.41 0.00 0.00 173.24 173.36 1ujt s SER 3 N -2.94 5.37 -0.30 2.44 1.04 -1.26 -4.88 113.70 113.18 1ujt s SER 3 Ca 0.12 0.42 -0.16 0.00 0.48 0.00 0.00 55.95 56.80 1ujt s SER 3 Cb -0.04 -2.53 0.17 0.00 0.10 0.00 0.00 66.02 63.72 1ujt s SER 3 CO 0.05 -2.28 1.05 -0.83 0.98 0.00 0.00 173.24 172.21 1ujt s GLY 4 N 7.72 -0.02 0.01 7.32 0.00 -1.26 -5.07 107.32 116.03 1ujt s GLY 4 Ca 0.67 3.22 0.00 0.00 0.00 0.00 0.00 44.72 48.61 1ujt s GLY 4 CO 0.22 3.10 0.00 1.44 0.00 0.00 0.00 173.10 177.86 1ujt n SER 5 N 4.53 0.11 -4.76 1.64 7.64 -1.26 -5.06 113.62 116.46 1ujt n SER 5 Ca -0.11 0.02 -0.34 0.00 1.01 0.00 0.00 58.87 59.44 1ujt n SER 5 Cb 0.54 -0.03 0.04 0.00 -1.01 0.00 0.00 64.21 63.75 1ujt n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ujt s SER 6 N -5.10 5.08 -0.99 6.43 0.01 -1.26 -4.86 113.70 113.01 1ujt s SER 6 Ca 0.00 2.20 -0.22 0.00 1.31 0.00 0.00 55.95 59.24 1ujt s SER 6 Cb 0.00 -2.58 -0.12 0.00 0.21 0.00 0.00 66.02 63.53 1ujt s SER 6 CO 0.00 -1.66 1.92 0.61 0.41 0.00 0.00 173.24 174.52 1ujt n GLY 7 N 0.06 1.67 0.26 3.44 0.00 -1.26 -4.45 105.19 104.91 1ujt n GLY 7 Ca 0.12 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 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 7.74 0.50 -0.16 1.61 1.74 -1.26 -4.46 116.66 122.37 1ujt n ARG 8 Ca 0.47 0.22 0.02 0.00 -0.77 0.00 0.00 57.85 57.79 1ujt n ARG 8 Cb 0.44 -1.34 0.09 0.00 -1.02 0.00 0.00 32.46 30.63 1ujt n ARG 8 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1ujt n GLN 9 N -4.08 1.71 -0.09 5.56 7.27 -1.26 -4.04 117.38 122.45 1ujt n GLN 9 Ca -0.46 -0.72 -0.12 0.00 0.07 0.00 0.00 57.00 55.77 1ujt n GLN 9 Cb 0.82 -1.43 -0.04 0.00 2.41 0.00 0.00 30.24 31.99 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 1.03 1.29 0.00 1.69 3.04 -1.90 -1.11 116.25 120.28 1ujt h VAL 10 Ca 0.00 -1.11 0.00 0.00 -1.01 0.00 0.00 66.70 64.58 1ujt h VAL 10 Cb 0.57 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.32 1ujt h VAL 10 CO 0.06 0.35 0.00 0.00 -1.01 0.00 0.00 177.57 176.97 1ujt n GLN 11 N -4.52 0.78 -0.06 4.17 6.02 -1.26 -1.79 117.38 120.72 1ujt n GLN 11 Ca -0.04 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.89 1ujt n GLN 11 Cb 0.31 -1.46 -0.02 0.00 1.02 0.00 0.00 30.24 30.09 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 -0.96 0.41 -0.10 -1.09 4.81 -0.97 -4.61 118.16 115.64 1ujt n LYS 12 Ca 0.17 0.16 -0.11 0.00 -0.87 0.00 0.00 58.31 57.66 1ujt n LYS 12 Cb 0.08 -1.20 -0.03 0.00 0.02 0.00 0.00 35.03 33.89 1ujt n LYS 12 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1ujt h GLU 13 N -0.77 0.57 -0.54 1.64 4.57 -1.30 -2.64 114.58 116.11 1ujt h GLU 13 Ca 0.00 -0.20 0.05 0.00 -1.18 0.00 0.00 59.36 58.03 1ujt h GLU 13 Cb 0.77 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.25 1ujt h GLU 13 CO 0.00 0.73 -0.32 -0.11 -1.18 0.00 0.00 179.01 178.13 1ujt n LEU 14 N -4.51 -0.57 -0.05 1.64 7.94 -0.74 -0.56 117.00 120.15 1ujt n LEU 14 Ca -0.03 1.09 -0.14 0.00 -1.11 0.00 0.00 56.01 55.82 1ujt n LEU 14 Cb 0.29 -0.19 -0.08 0.00 0.53 0.00 0.00 43.42 43.98 1ujt n LEU 14 CO 0.40 -0.85 0.51 1.23 -1.11 0.00 0.00 177.39 177.57 1ujt h GLY 15 N 0.00 0.43 -0.06 -3.96 0.00 -1.80 -3.35 103.07 94.33 1ujt h GLY 15 Ca 0.09 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 46.91 1ujt h GLY 15 CO -0.51 0.46 -0.06 -1.80 0.00 0.00 0.00 176.54 174.64 1ujt h ASP 16 N -0.02 -0.20 -2.40 0.19 1.82 -0.45 -3.42 116.42 111.94 1ujt h ASP 16 Ca 0.00 0.03 -0.61 0.00 -0.39 0.00 0.00 57.03 56.06 1ujt h ASP 16 Cb 0.85 0.08 0.13 0.00 0.68 0.00 0.00 39.33 41.08 1ujt h ASP 16 CO 0.06 -0.04 -0.19 0.55 -1.61 0.00 0.00 179.24 178.01 1ujt n VAL 17 N -3.05 1.99 -5.25 2.25 3.14 0.18 -4.98 118.33 112.60 1ujt n VAL 17 Ca -0.00 -0.50 -0.32 0.00 -2.96 0.00 0.00 64.34 60.56 1ujt n VAL 17 Cb 0.03 -0.71 -0.17 0.00 -1.06 0.00 0.00 33.84 31.94 1ujt n VAL 17 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1ujt s LEU 18 N 1.11 2.08 -0.15 6.55 0.20 -1.26 -4.71 118.68 122.50 1ujt s LEU 18 Ca 0.62 -0.52 -0.08 0.00 0.69 0.00 0.00 54.13 54.84 1ujt s LEU 18 Cb -0.64 -1.38 -0.04 0.00 -0.43 0.00 0.00 46.19 43.69 1ujt s LEU 18 CO 0.58 0.22 0.12 -0.69 -0.29 0.00 0.00 176.35 176.30 1ujt s VAL 19 N -0.04 5.34 -0.21 1.68 1.01 -1.26 -3.16 120.40 123.75 1ujt s VAL 19 Ca -0.07 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 1ujt s VAL 19 Cb -0.15 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.87 1ujt s VAL 19 CO 0.05 0.54 -0.10 -0.13 0.00 0.00 0.00 175.10 175.47 1ujt s ARG 20 N -0.43 3.16 -0.27 2.72 0.52 0.61 -4.34 118.95 120.92 1ujt s ARG 20 Ca 0.11 -0.75 -0.15 0.00 -0.52 0.00 0.00 55.73 54.43 1ujt s ARG 20 Cb -0.12 -2.86 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 1ujt s ARG 20 CO 0.02 -0.24 0.36 -1.17 0.02 0.00 0.00 175.30 174.29 1ujt s LEU 21 N 1.39 4.04 0.27 2.53 2.96 -1.26 -0.35 118.68 128.26 1ujt s LEU 21 Ca 0.05 0.27 -0.16 0.00 -0.22 0.00 0.00 54.13 54.07 1ujt s LEU 21 Cb -0.14 -2.40 -0.08 0.00 0.50 0.00 0.00 46.19 44.07 1ujt s LEU 21 CO -0.07 -0.17 0.69 -1.00 -1.32 0.00 0.00 176.35 174.49 1ujt s HIS 22 N 2.02 3.48 -0.41 5.38 3.76 -0.61 -4.84 115.29 124.06 1ujt s HIS 22 Ca 0.14 1.21 -0.46 0.00 -0.15 0.00 0.00 55.06 55.80 1ujt s HIS 22 Cb -0.16 -2.51 -0.20 0.00 1.11 0.00 0.00 32.58 30.82 1ujt s HIS 22 CO 0.10 0.22 1.51 0.09 -0.85 0.00 0.00 174.74 175.80 1ujt n ASN 23 N 0.08 1.00 -4.56 1.40 3.02 -1.26 -4.51 115.26 110.43 1ujt n ASN 23 Ca 0.01 1.18 -0.29 0.00 -0.03 0.00 0.00 54.58 55.45 1ujt n ASN 23 Cb 0.52 -0.89 -0.05 0.00 -0.61 0.00 0.00 39.78 38.76 1ujt n ASN 23 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1ujt s PRO 24 N 2.49 2.57 -0.22 3.52 0.04 -1.26 -4.86 135.00 137.28 1ujt s PRO 24 Ca 1.03 -0.09 -0.33 0.00 0.04 0.00 0.00 61.00 61.65 1ujt s PRO 24 Cb -1.46 -4.91 -0.10 0.00 0.04 0.00 0.00 34.50 28.07 1ujt s PRO 24 CO 0.78 -3.23 2.08 0.28 0.04 0.00 0.00 177.00 176.95 1ujt n VAL 25 N 7.72 0.38 -2.39 -0.36 0.31 -1.22 -4.78 118.33 118.00 1ujt n VAL 25 Ca 0.36 -0.25 -0.42 0.00 -0.01 0.00 0.00 64.34 64.01 1ujt n VAL 25 Cb 0.48 -1.98 -0.02 0.00 -0.91 0.00 0.00 33.84 31.41 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 6.34 3.83 -0.01 2.52 0.11 -1.26 -2.60 120.40 129.33 1ujt s VAL 26 Ca 1.01 0.75 -0.14 0.00 -2.93 0.00 0.00 61.98 60.67 1ujt s VAL 26 Cb -0.66 -4.38 -0.33 0.00 -1.53 0.00 0.00 36.38 29.48 1ujt s VAL 26 CO 0.47 -1.06 0.83 -0.07 -3.33 0.00 0.00 175.10 171.94 1ujt h LEU 27 N 12.82 0.72 -7.78 2.54 3.38 -1.90 -3.48 115.31 121.61 1ujt h LEU 27 Ca -0.27 -0.93 -0.08 0.00 0.09 0.00 0.00 57.88 56.69 1ujt h LEU 27 Cb 1.09 -0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.47 1ujt h LEU 27 CO 1.15 1.73 -0.33 0.42 0.09 0.00 0.00 178.44 181.51 1ujt s THR 28 N -2.58 0.13 -2.00 0.22 -4.23 -0.70 -5.01 115.64 101.47 1ujt s THR 28 Ca -0.13 -1.12 0.14 0.00 -1.18 0.00 0.00 61.69 59.41 1ujt s THR 28 Cb 0.04 -1.36 0.40 0.00 1.34 0.00 0.00 72.50 72.92 1ujt s THR 28 CO 0.90 -0.58 1.25 -0.81 -0.54 0.00 0.00 174.62 174.84 1ujt n PRO 29 N -0.09 0.49 0.00 3.99 -0.04 -1.26 -2.17 135.00 135.92 1ujt n PRO 29 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1ujt n PRO 29 Cb 0.63 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.94 0.00 -3.86 0.52 -2.24 -1.26 -3.55 114.28 102.95 1ujt n THR 30 Ca 0.10 -0.31 -0.11 0.00 -2.27 0.00 0.00 64.05 61.46 1ujt n THR 30 Cb 0.05 1.07 -0.10 0.00 -2.10 0.00 0.00 70.33 69.25 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 -0.50 0.08 -0.10 4.28 2.01 -0.92 -2.28 115.64 118.21 1ujt s THR 31 Ca 0.00 -0.66 -0.08 0.00 0.31 0.00 0.00 61.69 61.26 1ujt s THR 31 Cb 0.00 -0.45 0.03 0.00 0.01 0.00 0.00 72.50 72.09 1ujt s THR 31 CO 0.00 -0.36 0.25 -0.69 -0.69 0.00 0.00 174.62 173.13 1ujt s VAL 32 N -1.36 -0.01 0.10 3.82 1.01 -1.06 -1.72 120.40 121.18 1ujt s VAL 32 Ca -0.14 0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.63 1ujt s VAL 32 Cb -0.07 -0.37 -0.07 0.00 0.00 0.00 0.00 36.38 35.87 1ujt s VAL 32 CO 0.02 0.02 0.75 -1.58 0.00 0.00 0.00 175.10 174.30 1ujt s GLN 33 N 0.43 4.50 -0.15 2.72 0.74 -1.07 -1.95 119.66 124.89 1ujt s GLN 33 Ca -0.02 1.07 0.01 0.00 0.05 0.00 0.00 55.36 56.47 1ujt s GLN 33 Cb -0.04 -3.30 0.02 0.00 1.10 0.00 0.00 33.01 30.79 1ujt s GLN 33 CO -0.02 0.45 -0.16 0.08 -0.55 0.00 0.00 175.29 175.09 1ujt s VAL 34 N -0.67 1.67 0.03 1.34 1.01 0.84 -3.41 120.40 121.22 1ujt s VAL 34 Ca 0.36 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.68 1ujt s VAL 34 Cb -0.22 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 1ujt s VAL 34 CO 0.24 0.48 -0.15 -0.89 0.00 0.00 0.00 175.10 174.78 1ujt s THR 35 N 1.32 1.16 0.34 3.92 2.01 -1.26 -0.44 115.64 122.70 1ujt s THR 35 Ca 0.02 -0.93 -0.00 0.00 0.31 0.00 0.00 61.69 61.09 1ujt s THR 35 Cb -0.13 -1.03 -0.00 0.00 0.01 0.00 0.00 72.50 71.34 1ujt s THR 35 CO -0.09 0.09 0.43 -1.66 -0.69 0.00 0.00 174.62 172.71 1ujt s TRP 36 N -0.73 1.22 0.20 4.92 -2.14 -0.53 -1.57 118.94 120.29 1ujt s TRP 36 Ca 0.03 -1.38 -0.08 0.00 2.66 0.00 0.00 56.10 57.34 1ujt s TRP 36 Cb -0.07 -0.22 -0.02 0.00 -3.10 0.00 0.00 33.47 30.06 1ujt s TRP 36 CO 0.01 -1.08 0.29 0.95 -2.66 0.00 0.00 176.95 174.46 1ujt s THR 37 N -3.13 0.03 -0.14 0.66 -4.23 0.53 -4.82 115.64 104.54 1ujt s THR 37 Ca 0.33 -1.58 -0.06 0.00 -1.18 0.00 0.00 61.69 59.20 1ujt s THR 37 Cb 0.00 -2.14 0.06 0.00 1.34 0.00 0.00 72.50 71.77 1ujt s THR 37 CO 0.22 -0.14 0.31 0.68 -0.54 0.00 0.00 174.62 175.15 1ujt s VAL 38 N -4.04 -0.32 0.14 2.29 -7.23 -1.26 -0.28 120.40 109.70 1ujt s VAL 38 Ca 0.25 0.21 -0.26 0.00 -1.81 0.00 0.00 61.98 60.36 1ujt s VAL 38 Cb 0.03 -0.49 -0.02 0.00 0.56 0.00 0.00 36.38 36.47 1ujt s VAL 38 CO 0.06 0.09 1.60 0.44 -0.31 0.00 0.00 175.10 176.97 1ujt h ASP 39 N 7.86 -1.14 -4.29 4.85 5.19 -1.95 -3.31 116.42 123.63 1ujt h ASP 39 Ca -0.23 0.17 -0.64 0.00 -0.62 0.00 0.00 57.03 55.70 1ujt h ASP 39 Cb 1.13 0.49 -0.41 0.00 0.18 0.00 0.00 39.33 40.73 1ujt h ASP 39 CO 0.21 -0.37 -0.60 -0.13 -3.12 0.00 0.00 179.24 175.22 1ujt s ARG 40 N -5.95 2.07 -0.19 3.56 0.52 -1.26 -5.07 118.95 112.63 1ujt s ARG 40 Ca -0.15 -2.67 -0.35 0.00 -0.52 0.00 0.00 55.73 52.04 1ujt s ARG 40 Cb 0.11 -3.37 -0.12 0.00 0.52 0.00 0.00 34.95 32.09 1ujt s ARG 40 CO 0.66 -1.13 1.95 0.94 0.02 0.00 0.00 175.30 177.74 1ujt n GLN 41 N 3.06 1.76 -2.24 3.54 7.27 -1.25 -4.81 117.38 124.72 1ujt n GLN 41 Ca 0.06 0.61 -0.41 0.00 0.07 0.00 0.00 57.00 57.33 1ujt n GLN 41 Cb 0.33 -2.56 -0.03 0.00 2.41 0.00 0.00 30.24 30.39 1ujt n GLN 41 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1ujt s PRO 42 N 4.61 4.43 -0.14 3.69 0.04 -1.26 -4.97 135.00 141.39 1ujt s PRO 42 Ca 0.98 2.05 -0.24 0.00 0.04 0.00 0.00 61.00 63.83 1ujt s PRO 42 Cb -0.77 -3.16 -0.25 0.00 0.04 0.00 0.00 34.50 30.37 1ujt s PRO 42 CO 0.53 -0.14 0.61 1.96 0.04 0.00 0.00 177.00 179.99 1ujt h GLN 43 N 4.50 0.07 -0.95 4.56 4.20 -1.98 -3.34 115.11 122.17 1ujt h GLN 43 Ca -0.46 -0.11 0.14 0.00 0.06 0.00 0.00 58.65 58.27 1ujt h GLN 43 Cb 1.22 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.96 1ujt h GLN 43 CO 0.72 1.05 0.60 0.27 -0.67 0.00 0.00 178.83 180.80 1ujt h PHE 44 N -0.84 0.98 -0.75 2.96 -0.00 -1.97 -3.44 116.94 113.89 1ujt h PHE 44 Ca -0.15 0.03 -0.44 0.00 -0.00 0.00 0.00 57.97 57.41 1ujt h PHE 44 Cb 1.26 -0.31 0.08 0.00 -0.00 0.00 0.00 35.95 36.98 1ujt h PHE 44 CO 0.20 0.37 -0.40 1.51 -0.00 0.00 0.00 178.31 179.98 1ujt n ILE 45 N -4.60 1.17 -0.10 0.88 3.06 -1.26 -4.89 119.36 113.63 1ujt n ILE 45 Ca 0.18 -0.33 -0.11 0.00 -2.50 0.00 0.00 62.75 59.99 1ujt n ILE 45 Cb 0.42 0.00 -0.14 0.00 0.54 0.00 0.00 39.64 40.46 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 0.71 0.83 0.00 9.51 1.13 -1.20 -4.90 117.38 123.46 1ujt n GLN 46 Ca 0.11 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 1ujt n GLN 46 Cb 0.18 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.05 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 1.92 1.03 2.85 1.08 0.00 -1.21 -4.03 105.19 106.83 1ujt n GLY 47 Ca -0.33 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.54 -0.13 -0.95 1.61 1.51 -1.26 -3.62 117.35 112.97 1ujt s TYR 48 Ca 0.00 0.48 -0.15 0.00 -1.01 0.00 0.00 57.07 56.40 1ujt s TYR 48 Cb 0.00 -0.21 0.20 0.00 -0.11 0.00 0.00 41.96 41.84 1ujt s TYR 48 CO 0.00 -0.20 1.01 0.50 -1.11 0.00 0.00 175.55 175.74 1ujt s ARG 49 N 1.71 3.75 -0.80 -0.62 3.52 -1.25 -2.32 118.95 122.93 1ujt s ARG 49 Ca -0.03 -2.38 -0.25 0.00 -0.13 0.00 0.00 55.73 52.94 1ujt s ARG 49 Cb -0.12 -4.67 -0.05 0.00 -1.56 0.00 0.00 34.95 28.55 1ujt s ARG 49 CO -0.05 -1.48 1.99 0.08 -0.81 0.00 0.00 175.30 175.02 1ujt s VAL 50 N 0.87 3.37 0.19 7.11 1.01 -0.92 -4.51 120.40 127.53 1ujt s VAL 50 Ca 0.27 -0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.87 1ujt s VAL 50 Cb -0.08 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.37 1ujt s VAL 50 CO -0.08 -0.81 0.71 -0.04 0.00 0.00 0.00 175.10 174.88 1ujt s MET 51 N 7.25 4.30 0.04 2.72 -1.94 -1.24 -1.47 119.30 128.96 1ujt s MET 51 Ca 0.73 0.90 -0.17 0.00 -1.71 0.00 0.00 55.69 55.44 1ujt s MET 51 Cb -0.09 -2.99 0.03 0.00 2.01 0.00 0.00 34.83 33.79 1ujt s MET 51 CO 0.06 0.46 0.38 1.52 -0.01 0.00 0.00 175.02 177.43 1ujt s TYR 52 N -1.41 -0.21 0.19 -0.03 1.13 -1.24 -2.94 117.35 112.83 1ujt s TYR 52 Ca 0.40 0.14 -0.23 0.00 -1.41 0.00 0.00 57.07 55.97 1ujt s TYR 52 Cb -0.18 0.18 0.06 0.00 -1.10 0.00 0.00 41.96 40.91 1ujt s TYR 52 CO 0.22 -0.55 0.65 -0.98 -2.51 0.00 0.00 175.55 172.38 1ujt s ARG 53 N -2.51 1.40 0.58 -3.49 1.70 -1.14 -1.00 118.95 114.49 1ujt s ARG 53 Ca -0.05 -0.60 -0.13 0.00 -0.47 0.00 0.00 55.73 54.47 1ujt s ARG 53 Cb -0.01 0.58 -0.05 0.00 -0.57 0.00 0.00 34.95 34.90 1ujt s ARG 53 CO -0.03 -0.62 1.01 -1.14 -1.08 0.00 0.00 175.30 173.45 1ujt s GLN 54 N -3.76 3.71 -0.20 3.89 0.74 -1.25 -2.49 119.66 120.28 1ujt s GLN 54 Ca 0.04 0.84 0.02 0.00 0.05 0.00 0.00 55.36 56.31 1ujt s GLN 54 Cb -0.02 -2.10 -0.14 0.00 1.10 0.00 0.00 33.01 31.85 1ujt s GLN 54 CO -0.07 -0.48 -0.17 0.25 -0.55 0.00 0.00 175.29 174.27 1ujt n THR 55 N -2.32 1.17 -4.18 -0.34 -2.24 -0.92 -2.29 114.28 103.15 1ujt n THR 55 Ca 0.06 -0.45 -0.11 0.00 -2.27 0.00 0.00 64.05 61.27 1ujt n THR 55 Cb 0.54 -1.21 -0.10 0.00 -2.10 0.00 0.00 70.33 67.47 1ujt n THR 55 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ujt s SER 56 N -5.95 0.17 0.00 3.42 0.01 -1.26 -4.48 113.70 105.60 1ujt s SER 56 Ca -0.27 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 55.65 1ujt s SER 56 Cb 0.07 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1ujt s SER 56 CO 0.48 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1ujt n GLY 57 N -0.24 0.64 0.29 3.44 0.00 -1.26 -4.31 105.19 103.74 1ujt n GLY 57 Ca 0.00 -1.37 -0.21 0.00 0.00 0.00 0.00 46.02 44.44 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 1.64 -1.11 0.99 -0.00 -1.26 -4.49 117.00 112.77 1ujt n LEU 58 Ca 0.00 0.28 -0.03 0.00 -0.00 0.00 0.00 56.01 56.26 1ujt n LEU 58 Cb 0.00 -0.67 0.06 0.00 -0.00 0.00 0.00 43.42 42.81 1ujt n LEU 58 CO 0.00 0.32 0.58 0.00 -0.00 0.00 0.00 177.39 178.28 1ujt n GLN 59 N -4.07 1.48 -2.36 1.96 6.02 -1.26 -4.79 117.38 114.36 1ujt n GLN 59 Ca -0.39 -0.68 -0.42 0.00 -0.01 0.00 0.00 57.00 55.50 1ujt n GLN 59 Cb 0.75 -1.40 -0.03 0.00 1.02 0.00 0.00 30.24 30.57 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 -0.96 3.44 -0.00 -1.58 0.00 -1.26 -3.30 121.76 118.10 1ujt s ALA 60 Ca 0.12 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1ujt s ALA 60 Cb 0.10 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1ujt s ALA 60 CO 0.03 -0.50 0.00 -2.37 0.00 0.00 0.00 175.76 172.92 1ujt n THR 61 N 3.97 -0.00 -0.06 0.00 5.66 -0.97 -4.74 114.28 118.14 1ujt n THR 61 Ca 0.10 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.04 1ujt n THR 61 Cb 0.45 -0.01 -0.05 0.00 -1.55 0.00 0.00 70.33 69.18 1ujt n THR 61 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 1ujt h SER 62 N 0.00 0.00 -3.42 1.09 0.87 -1.85 -3.48 113.55 106.76 1ujt h SER 62 Ca -0.00 -0.38 -0.09 0.00 -1.23 0.00 0.00 61.79 60.10 1ujt h SER 62 Cb 0.60 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 62.31 1ujt h SER 62 CO 0.00 0.70 -0.19 -0.44 -0.53 0.00 0.00 176.83 176.38 1ujt s SER 63 N -5.82 -0.59 0.68 6.23 0.01 -1.26 -5.16 113.70 107.78 1ujt s SER 63 Ca -0.08 1.04 -0.11 0.00 1.31 0.00 0.00 55.95 58.11 1ujt s SER 63 Cb -0.01 0.96 -0.00 0.00 0.21 0.00 0.00 66.02 67.18 1ujt s SER 63 CO 0.27 -0.19 1.06 0.26 0.41 0.00 0.00 173.24 175.04 1ujt s TRP 64 N 1.06 3.30 0.37 2.43 0.52 -1.26 -4.77 118.94 120.58 1ujt s TRP 64 Ca -0.06 1.28 0.00 0.00 0.02 0.00 0.00 56.10 57.35 1ujt s TRP 64 Cb -0.06 -2.88 0.00 0.00 -1.15 0.00 0.00 33.47 29.38 1ujt s TRP 64 CO -0.10 -1.10 0.04 1.04 0.02 0.00 0.00 176.95 176.86 1ujt n GLN 65 N -3.01 1.10 -3.63 4.98 6.02 -0.17 -4.97 117.38 117.69 1ujt n GLN 65 Ca 0.07 -2.60 -0.04 0.00 -0.01 0.00 0.00 57.00 54.41 1ujt n GLN 65 Cb 0.55 0.64 -0.06 0.00 1.02 0.00 0.00 30.24 32.39 1ujt n GLN 65 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ujt s ASN 66 N -3.03 -0.93 -0.35 1.08 2.20 -1.26 -3.67 114.94 108.97 1ujt s ASN 66 Ca 0.03 1.40 0.02 0.00 -0.94 0.00 0.00 52.86 53.37 1ujt s ASN 66 Cb -0.00 1.69 0.10 0.00 -2.00 0.00 0.00 41.25 41.04 1ujt s ASN 66 CO 0.02 -0.21 0.09 -0.22 -2.94 0.00 0.00 177.10 173.84 1ujt s LEU 67 N 2.08 3.73 0.03 3.54 2.96 -0.54 -4.94 118.68 125.53 1ujt s LEU 67 Ca -0.08 -2.08 -0.30 0.00 -0.22 0.00 0.00 54.13 51.45 1ujt s LEU 67 Cb -0.07 -1.33 -0.06 0.00 0.50 0.00 0.00 46.19 45.23 1ujt s LEU 67 CO -0.19 -0.37 1.40 1.51 -1.32 0.00 0.00 176.35 177.38 1ujt s ASP 68 N 1.02 6.85 0.15 3.68 -4.77 -1.26 -2.16 116.67 120.17 1ujt s ASP 68 Ca 0.11 2.16 0.27 0.00 -3.30 0.00 0.00 52.55 51.79 1ujt s ASP 68 Cb -0.19 -2.57 0.88 0.00 -1.09 0.00 0.00 42.92 39.95 1ujt s ASP 68 CO -0.13 -0.70 1.77 0.00 0.70 0.00 0.00 175.17 176.81 1ujt n ALA 69 N 5.07 2.37 -2.24 2.11 0.00 -0.98 -4.90 120.51 121.95 1ujt n ALA 69 Ca 0.13 -0.07 -0.05 0.00 0.00 0.00 0.00 53.44 53.45 1ujt n ALA 69 Cb 0.43 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 1ujt n ALA 69 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ujt n LYS 70 N -2.05 -2.39 -3.34 0.00 5.02 -1.26 -4.85 118.16 109.28 1ujt n LYS 70 Ca 0.06 0.26 -0.10 0.00 -2.02 0.00 0.00 58.31 56.51 1ujt n LYS 70 Cb 0.41 -4.73 -0.07 0.00 -0.02 0.00 0.00 35.03 30.62 1ujt n LYS 70 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ujt s VAL 71 N -2.12 -0.59 -2.00 -0.18 1.01 -1.26 -5.00 120.40 110.26 1ujt s VAL 71 Ca 0.00 -0.21 0.12 0.00 0.00 0.00 0.00 61.98 61.90 1ujt s VAL 71 Cb 0.00 -0.90 0.34 0.00 0.00 0.00 0.00 36.38 35.83 1ujt s VAL 71 CO 0.00 -0.23 1.15 -0.81 0.00 0.00 0.00 175.10 175.22 1ujt n PRO 72 N 5.35 0.49 -0.02 2.72 -0.04 -1.26 -1.76 135.00 140.48 1ujt n PRO 72 Ca -0.02 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.47 1ujt n PRO 72 Cb 0.49 -1.39 0.03 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.89 0.27 -3.70 0.52 -2.24 -1.26 -4.95 114.28 102.03 1ujt n THR 73 Ca 0.09 -0.64 -0.38 0.00 -2.27 0.00 0.00 64.05 60.85 1ujt n THR 73 Cb 0.04 0.94 -0.12 0.00 -2.10 0.00 0.00 70.33 69.09 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 -0.58 3.19 -0.42 -0.78 2.02 -0.73 -4.96 118.70 116.46 1ujt s GLU 74 Ca 0.07 -0.80 0.05 0.00 0.02 0.00 0.00 54.97 54.31 1ujt s GLU 74 Cb 0.05 -3.48 0.62 0.00 0.10 0.00 0.00 34.13 31.42 1ujt s GLU 74 CO 0.06 -0.44 1.81 0.54 0.02 0.00 0.00 175.26 177.25 1ujt n ARG 75 N 4.93 2.16 -3.71 1.61 5.12 -1.26 -4.93 116.66 120.57 1ujt n ARG 75 Ca -0.14 -3.07 -0.10 0.00 -1.93 0.00 0.00 57.85 52.61 1ujt n ARG 75 Cb 0.48 -2.09 -0.05 0.00 -1.16 0.00 0.00 32.46 29.64 1ujt n ARG 75 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1ujt s SER 76 N -1.64 -0.12 0.18 0.55 0.01 -1.26 -1.46 113.70 109.96 1ujt s SER 76 Ca 0.54 -0.44 -0.24 0.00 1.31 0.00 0.00 55.95 57.12 1ujt s SER 76 Cb 0.46 0.44 0.06 0.00 0.21 0.00 0.00 66.02 67.19 1ujt s SER 76 CO 0.08 -0.82 0.93 0.00 0.41 0.00 0.00 173.24 173.83 1ujt s ALA 77 N -3.83 -1.58 -0.05 1.44 0.00 0.42 -5.00 121.76 113.16 1ujt s ALA 77 Ca 0.04 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.05 1ujt s ALA 77 Cb 0.03 0.67 0.01 0.00 0.00 0.00 0.00 23.12 23.83 1ujt s ALA 77 CO -0.11 -1.05 -0.11 0.08 0.00 0.00 0.00 175.76 174.58 1ujt s VAL 78 N -3.32 0.98 -0.35 0.00 1.01 -1.26 -0.11 120.40 117.34 1ujt s VAL 78 Ca 0.13 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 1ujt s VAL 78 Cb -0.02 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.48 1ujt s VAL 78 CO 0.03 0.31 0.21 -0.76 0.00 0.00 0.00 175.10 174.89 1ujt s LEU 79 N 0.50 4.55 0.42 3.92 1.43 -0.82 -4.97 118.68 123.72 1ujt s LEU 79 Ca -0.10 -0.75 0.08 0.00 -1.03 0.00 0.00 54.13 52.33 1ujt s LEU 79 Cb -0.13 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.04 1ujt s LEU 79 CO 0.02 -0.31 0.53 0.68 0.23 0.00 0.00 176.35 177.50 1ujt s VAL 80 N 1.61 2.89 -0.93 -1.59 -7.23 -1.26 -2.55 120.40 111.35 1ujt s VAL 80 Ca 0.04 -1.08 -0.02 0.00 -1.81 0.00 0.00 61.98 59.10 1ujt s VAL 80 Cb -0.18 -2.98 -0.03 0.00 0.56 0.00 0.00 36.38 33.76 1ujt s VAL 80 CO 0.07 0.00 0.79 0.59 -0.31 0.00 0.00 175.10 176.25 1ujt n ASN 81 N -1.79 -3.70 -4.86 4.85 3.02 -1.03 -4.98 115.26 106.77 1ujt n ASN 81 Ca 0.07 -0.54 -0.22 0.00 -0.03 0.00 0.00 54.58 53.86 1ujt n ASN 81 Cb 0.60 -4.33 -0.03 0.00 -0.61 0.00 0.00 39.78 35.40 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 -5.31 3.22 0.31 3.41 1.43 -0.97 -5.07 118.68 115.71 1ujt s LEU 82 Ca 0.17 -0.89 -0.10 0.00 -1.03 0.00 0.00 54.13 52.28 1ujt s LEU 82 Cb -0.02 -1.80 -0.07 0.00 0.03 0.00 0.00 46.19 44.33 1ujt s LEU 82 CO 0.60 -0.74 0.65 -0.75 0.23 0.00 0.00 176.35 176.35 1ujt s LYS 83 N -4.14 3.81 -0.18 1.70 2.47 -1.26 -4.63 119.74 117.51 1ujt s LYS 83 Ca 0.45 0.36 -0.11 0.00 -1.56 0.00 0.00 55.97 55.12 1ujt s LYS 83 Cb -0.02 -2.53 -0.05 0.00 -1.46 0.00 0.00 37.83 33.77 1ujt s LYS 83 CO 0.26 0.17 0.17 0.15 0.16 0.00 0.00 175.35 176.27 1ujt s LYS 84 N -3.25 4.12 -0.25 4.03 1.02 -1.23 -4.51 119.74 119.66 1ujt s LYS 84 Ca 0.49 -0.13 -0.01 0.00 0.02 0.00 0.00 55.97 56.34 1ujt s LYS 84 Cb -0.11 -3.39 -0.01 0.00 -0.52 0.00 0.00 37.83 33.80 1ujt s LYS 84 CO 0.24 0.34 0.22 0.41 -0.92 0.00 0.00 175.35 175.64 1ujt n GLY 85 N 3.31 0.37 3.59 -3.33 0.00 0.54 -4.96 105.19 104.70 1ujt n GLY 85 Ca -0.15 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.09 0.00 0.30 1.61 0.11 -1.19 -4.96 120.40 113.17 1ujt s VAL 86 Ca 0.07 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.87 1ujt s VAL 86 Cb -0.01 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.75 1ujt s VAL 86 CO 0.17 0.00 0.90 -0.89 -3.33 0.00 0.00 175.10 171.95 1ujt s THR 87 N -0.90 4.27 -0.08 5.04 2.01 -1.26 -2.15 115.64 122.58 1ujt s THR 87 Ca -0.01 1.74 0.01 0.00 0.31 0.00 0.00 61.69 63.74 1ujt s THR 87 Cb -0.01 -4.00 0.02 0.00 0.01 0.00 0.00 72.50 68.52 1ujt s THR 87 CO 0.00 0.18 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.73 1ujt s TYR 88 N -1.56 1.22 -0.28 4.92 2.02 0.68 -2.17 117.35 122.18 1ujt s TYR 88 Ca 0.48 -0.50 -0.16 0.00 -0.37 0.00 0.00 57.07 56.53 1ujt s TYR 88 Cb -0.19 -1.01 -0.03 0.00 -0.40 0.00 0.00 41.96 40.33 1ujt s TYR 88 CO 0.24 -0.35 0.41 -2.00 -1.57 0.00 0.00 175.55 172.28 1ujt s GLU 89 N 1.28 3.96 0.04 -0.62 2.12 -1.04 -0.34 118.70 124.09 1ujt s GLU 89 Ca -0.04 0.05 0.05 0.00 0.36 0.00 0.00 54.97 55.39 1ujt s GLU 89 Cb -0.14 -3.68 -0.02 0.00 0.26 0.00 0.00 34.13 30.55 1ujt s GLU 89 CO -0.03 -0.34 -0.14 0.42 -0.54 0.00 0.00 175.26 174.63 1ujt s ILE 90 N 2.14 1.12 0.28 -3.70 1.09 -0.67 -2.91 121.20 118.55 1ujt s ILE 90 Ca 0.16 -1.00 0.03 0.00 -1.10 0.00 0.00 60.65 58.74 1ujt s ILE 90 Cb -0.16 -1.01 -0.03 0.00 -1.06 0.00 0.00 42.46 40.20 1ujt s ILE 90 CO 0.10 0.01 0.25 -1.59 -0.10 0.00 0.00 174.94 173.61 1ujt s LYS 91 N -1.13 1.56 -0.01 2.79 0.00 -1.15 -1.98 119.74 119.82 1ujt s LYS 91 Ca 0.02 -1.82 0.02 0.00 0.00 0.00 0.00 55.97 54.19 1ujt s LYS 91 Cb -0.08 0.32 -0.01 0.00 0.00 0.00 0.00 37.83 38.07 1ujt s LYS 91 CO 0.01 -0.57 -0.08 0.08 0.00 0.00 0.00 175.35 174.80 1ujt s VAL 92 N -3.69 0.64 -0.11 1.79 1.01 -1.26 -3.68 120.40 115.09 1ujt s VAL 92 Ca 0.38 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.98 1ujt s VAL 92 Cb 0.04 -0.54 0.05 0.00 0.00 0.00 0.00 36.38 35.93 1ujt s VAL 92 CO 0.20 0.18 0.22 0.00 0.00 0.00 0.00 175.10 175.71 1ujt s ARG 93 N -0.16 0.11 -0.50 2.72 1.70 -1.26 0.26 118.95 121.82 1ujt s ARG 93 Ca 0.03 0.64 -0.27 0.00 -0.47 0.00 0.00 55.73 55.65 1ujt s ARG 93 Cb -0.03 -0.13 -0.02 0.00 -0.57 0.00 0.00 34.95 34.19 1ujt s ARG 93 CO -0.00 -0.27 1.80 -1.25 -1.08 0.00 0.00 175.30 174.49 1ujt s PRO 94 N 2.17 2.94 -0.02 3.89 0.04 -1.26 -3.90 135.00 138.86 1ujt s PRO 94 Ca 0.00 0.90 0.01 0.00 0.04 0.00 0.00 61.00 61.94 1ujt s PRO 94 Cb -0.12 -4.29 -0.04 0.00 0.04 0.00 0.00 34.50 30.09 1ujt s PRO 94 CO -0.07 -2.35 0.01 1.52 0.04 0.00 0.00 177.00 176.15 1ujt s TYR 95 N 8.04 3.11 -0.14 0.56 -0.85 -1.24 -0.35 117.35 126.47 1ujt s TYR 95 Ca 0.70 0.11 -0.13 0.00 -0.52 0.00 0.00 57.07 57.23 1ujt s TYR 95 Cb -0.16 -1.70 -0.04 0.00 0.38 0.00 0.00 41.96 40.44 1ujt s TYR 95 CO 0.26 0.47 -0.26 0.34 -1.52 0.00 0.00 175.55 174.84 1ujt n PHE 96 N 1.54 0.12 0.01 -3.49 7.35 -1.19 -3.25 117.46 118.55 1ujt n PHE 96 Ca -0.15 0.05 0.00 0.00 -0.76 0.00 0.00 57.45 56.59 1ujt n PHE 96 Cb 0.53 -0.45 0.00 0.00 0.35 0.00 0.00 39.48 39.91 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 -4.10 0.15 0.00 -2.13 4.13 -1.26 -4.17 115.26 107.88 1ujt n ASN 97 Ca -0.10 0.04 0.00 0.00 1.68 0.00 0.00 54.58 56.19 1ujt n ASN 97 Cb 0.39 -0.03 0.00 0.00 -1.54 0.00 0.00 39.78 38.60 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 -2.67 3.22 -2.30 3.52 0.00 -1.26 -5.06 120.64 116.08 1ujt n GLU 98 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.86 1ujt n GLU 98 Cb 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 31.44 30.51 1ujt n GLU 98 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.13 176.54 1ujt s PHE 99 N -1.84 3.56 -0.06 -1.84 -0.71 -1.26 -5.09 117.98 110.75 1ujt s PHE 99 Ca 0.00 1.14 0.02 0.00 -1.04 0.00 0.00 56.93 57.05 1ujt s PHE 99 Cb 0.00 -2.57 0.01 0.00 -1.21 0.00 0.00 43.02 39.25 1ujt s PHE 99 CO 0.00 -0.44 -0.11 1.14 -1.34 0.00 0.00 175.22 174.47 1ujt s GLN 100 N -4.71 1.47 1.44 1.99 0.00 -1.26 -3.14 119.66 115.45 1ujt s GLN 100 Ca 0.53 -0.35 -0.23 0.00 -0.00 0.00 0.00 55.36 55.31 1ujt s GLN 100 Cb -0.11 -1.25 0.37 0.00 0.00 0.00 0.00 33.01 32.02 1ujt s GLN 100 CO 0.45 0.02 0.87 0.41 0.00 0.00 0.00 175.29 177.05 1ujt n GLY 101 N 3.79 -3.71 3.54 2.60 0.00 0.52 -4.76 105.19 107.18 1ujt n GLY 101 Ca -0.23 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 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 -5.64 1.30 -1.48 1.61 0.00 -1.26 -4.57 117.12 107.08 1ujt n MET 102 Ca 0.12 0.25 -0.42 0.00 0.00 0.00 0.00 57.70 57.65 1ujt n MET 102 Cb 0.59 -3.01 0.00 0.00 0.00 0.00 0.00 33.22 30.80 1ujt n MET 102 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1ujt n ASP 103 N 12.67 -0.46 -4.73 7.83 5.75 -1.26 -4.47 116.55 131.88 1ujt n ASP 103 Ca 0.38 0.97 -0.29 0.00 -0.01 0.00 0.00 54.79 55.83 1ujt n ASP 103 Cb 0.40 -1.14 0.11 0.00 -1.03 0.00 0.00 41.12 39.46 1ujt n ASP 103 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1ujt s SER 104 N -0.89 4.20 0.05 -1.12 0.15 0.14 -4.89 113.70 111.34 1ujt s SER 104 Ca 0.63 0.67 -0.31 0.00 0.70 0.00 0.00 55.95 57.63 1ujt s SER 104 Cb -0.64 -1.06 -0.10 0.00 -1.71 0.00 0.00 66.02 62.51 1ujt s SER 104 CO 0.58 -2.09 1.90 -0.62 1.20 0.00 0.00 173.24 174.21 1ujt n GLU 105 N -3.42 2.72 -2.02 5.44 -0.58 -1.26 -4.57 120.64 116.95 1ujt n GLU 105 Ca 0.10 1.00 -0.43 0.00 -0.42 0.00 0.00 57.16 57.40 1ujt n GLU 105 Cb 0.61 -2.91 -0.03 0.00 -0.57 0.00 0.00 31.44 28.54 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 3.71 5.88 -0.12 1.62 1.04 -1.26 -4.59 113.70 119.98 1ujt s SER 106 Ca 0.87 1.22 -0.10 0.00 0.48 0.00 0.00 55.95 58.41 1ujt s SER 106 Cb -0.50 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.05 1ujt s SER 106 CO 0.42 -1.73 0.22 -0.54 0.98 0.00 0.00 173.24 172.58 1ujt s LYS 107 N 5.70 3.81 -0.12 4.02 -0.14 -0.84 -4.90 119.74 127.27 1ujt s LYS 107 Ca 0.78 -0.00 -0.09 0.00 -1.36 0.00 0.00 55.97 55.29 1ujt s LYS 107 Cb -0.21 -3.28 -0.04 0.00 -1.68 0.00 0.00 37.83 32.61 1ujt s LYS 107 CO 0.33 0.58 0.19 0.95 -0.76 0.00 0.00 175.35 176.64 1ujt s THR 108 N -0.52 5.41 -0.16 2.17 -4.23 -1.26 -1.66 115.64 115.38 1ujt s THR 108 Ca 0.16 0.32 0.01 0.00 -1.18 0.00 0.00 61.69 61.00 1ujt s THR 108 Cb -0.13 -3.47 0.02 0.00 1.34 0.00 0.00 72.50 70.26 1ujt s THR 108 CO 0.05 0.57 -0.19 0.54 -0.54 0.00 0.00 174.62 175.04 1ujt s VAL 109 N -0.70 1.95 -0.44 2.29 0.11 0.53 -4.80 120.40 119.34 1ujt s VAL 109 Ca 0.15 -0.88 -0.19 0.00 -2.93 0.00 0.00 61.98 58.13 1ujt s VAL 109 Cb -0.13 -1.76 0.03 0.00 -1.53 0.00 0.00 36.38 32.99 1ujt s VAL 109 CO 0.04 0.52 0.56 -0.60 -3.33 0.00 0.00 175.10 172.29 1ujt s ARG 110 N 1.19 3.19 -0.58 1.54 3.52 -1.26 -0.23 118.95 126.33 1ujt s ARG 110 Ca 0.02 -0.57 -0.28 0.00 -0.13 0.00 0.00 55.73 54.77 1ujt s ARG 110 Cb -0.14 -3.97 0.03 0.00 -1.56 0.00 0.00 34.95 29.31 1ujt s ARG 110 CO -0.09 -0.96 1.24 0.95 -0.81 0.00 0.00 175.30 175.63 1ujt s THR 111 N 2.53 3.96 1.04 4.11 -4.23 -0.91 -4.94 115.64 117.20 1ujt s THR 111 Ca 0.18 0.85 -0.19 0.00 -1.18 0.00 0.00 61.69 61.35 1ujt s THR 111 Cb -0.16 -4.66 0.00 0.00 1.34 0.00 0.00 72.50 69.02 1ujt s THR 111 CO 0.16 -1.31 -0.28 1.07 -0.54 0.00 0.00 174.62 173.73 1ujt n THR 112 N 6.71 0.00 -0.01 3.99 5.66 -1.26 -0.34 114.28 129.03 1ujt n THR 112 Ca 0.09 -0.24 -0.04 0.00 -3.05 0.00 0.00 64.05 60.81 1ujt n THR 112 Cb 0.49 -0.42 -0.01 0.00 -1.55 0.00 0.00 70.33 68.83 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 -0.58 0.18 -3.13 1.09 1.02 -1.26 -3.19 120.64 114.76 1ujt n GLU 113 Ca 0.01 0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.81 1ujt n GLU 113 Cb 0.62 -0.81 -0.07 0.00 -0.02 0.00 0.00 31.44 31.16 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 -2.27 3.60 -0.32 3.49 2.12 -1.26 -4.97 118.70 119.09 1ujt s GLU 114 Ca -0.10 -0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.18 1ujt s GLU 114 Cb 0.02 -3.83 0.10 0.00 0.26 0.00 0.00 34.13 30.68 1ujt s GLU 114 CO 0.15 -0.77 0.08 0.45 -0.54 0.00 0.00 175.26 174.63 1ujt s SER 115 N 1.82 4.30 -0.41 -1.70 0.15 -1.26 -4.93 113.70 111.66 1ujt s SER 115 Ca 0.23 -1.85 -0.20 0.00 0.70 0.00 0.00 55.95 54.84 1ujt s SER 115 Cb -0.15 -1.15 0.03 0.00 -1.71 0.00 0.00 66.02 63.05 1ujt s SER 115 CO 0.15 -0.40 0.47 0.61 1.20 0.00 0.00 173.24 175.27 1ujt n GLY 116 N 4.61 -0.20 3.69 9.45 0.00 -1.26 -4.79 105.19 116.68 1ujt n GLY 116 Ca 0.00 0.72 -0.42 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.52 4.27 -0.12 1.61 0.04 -1.26 -4.95 135.00 132.06 1ujt s PRO 117 Ca 0.19 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.12 1ujt s PRO 117 Cb -0.02 -3.57 -0.12 0.00 0.04 0.00 0.00 34.50 30.83 1ujt s PRO 117 CO 0.64 -0.60 0.31 1.03 0.04 0.00 0.00 177.00 178.41 1ujt h SER 118 N 7.90 0.00 -2.40 6.66 0.87 -2.06 -3.46 113.55 121.06 1ujt h SER 118 Ca -0.39 -0.42 -0.58 0.00 -1.23 0.00 0.00 61.79 59.17 1ujt h SER 118 Cb 1.18 0.00 0.19 0.00 -0.44 0.00 0.00 62.40 63.33 1ujt h SER 118 CO 0.91 0.77 -0.95 -0.24 -0.53 0.00 0.00 176.83 176.79 1ujt n SER 119 N -4.68 -2.97 0.00 6.23 2.88 -1.26 -5.31 113.62 108.51 1ujt n SER 119 Ca -0.06 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 1ujt n SER 119 Cb 0.24 -0.97 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 1ujt n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42