#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 7.05 0.04 1.61 0.15 -1.26 -4.93 113.70 116.36 1ujt s SER 2 Ca 0.00 1.69 -0.19 0.00 0.70 0.00 0.00 55.95 58.15 1ujt s SER 2 Cb 0.00 -2.55 -0.16 0.00 -1.71 0.00 0.00 66.02 61.60 1ujt s SER 2 CO 0.00 -0.63 1.29 -1.28 1.20 0.00 0.00 173.24 173.82 1ujt h SER 3 N 7.62 0.50 -2.42 5.45 0.87 -2.10 -3.48 113.55 120.00 1ujt h SER 3 Ca -0.30 -0.56 -0.10 0.00 -1.23 0.00 0.00 61.79 59.61 1ujt h SER 3 Cb 1.13 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.92 1ujt h SER 3 CO 0.91 0.97 -0.06 0.61 -0.53 0.00 0.00 176.83 178.73 1ujt n GLY 4 N 0.44 2.94 2.37 5.77 0.00 -1.26 -5.07 105.19 110.39 1ujt n GLY 4 Ca -0.07 -1.49 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 1ujt n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujt n SER 5 N -2.07 5.44 -0.18 1.61 2.88 -1.26 -4.82 113.62 115.23 1ujt n SER 5 Ca 0.01 -3.75 -0.01 0.00 -1.33 0.00 0.00 58.87 53.78 1ujt n SER 5 Cb 0.19 -0.55 0.08 0.00 -0.75 0.00 0.00 64.21 63.18 1ujt n SER 5 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1ujt h SER 6 N 2.45 -0.10 0.00 -3.46 4.64 -2.02 -3.44 113.55 111.62 1ujt h SER 6 Ca 0.39 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1ujt h SER 6 Cb 0.99 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1ujt h SER 6 CO 0.97 -0.03 0.00 0.61 -0.87 0.00 0.00 176.83 177.51 1ujt n GLY 7 N -1.31 -0.85 0.10 -0.77 0.00 -1.26 -5.05 105.19 96.05 1ujt n GLY 7 Ca 0.07 0.16 -0.03 0.00 0.00 0.00 0.00 46.02 46.22 1ujt n GLY 7 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ujt h ARG 8 N 0.00 -0.20 0.00 1.61 2.47 -1.92 -3.25 114.38 113.09 1ujt h ARG 8 Ca 0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1ujt h ARG 8 Cb 0.00 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 1ujt h ARG 8 CO 0.00 -0.13 0.00 0.00 0.56 0.00 0.00 179.97 180.40 1ujt n GLN 9 N -3.68 0.04 -0.27 0.04 10.64 -1.26 -3.45 117.38 119.44 1ujt n GLN 9 Ca -0.03 0.32 0.18 0.00 -1.83 0.00 0.00 57.00 55.65 1ujt n GLN 9 Cb 0.08 -1.50 0.35 0.00 -0.86 0.00 0.00 30.24 28.31 1ujt n GLN 9 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 1ujt n VAL 10 N -1.38 -0.34 -0.03 -0.39 3.14 -1.23 0.99 118.33 119.09 1ujt n VAL 10 Ca 0.02 1.74 0.01 0.00 -2.96 0.00 0.00 64.34 63.14 1ujt n VAL 10 Cb 0.05 -2.66 -0.14 0.00 -1.06 0.00 0.00 33.84 30.03 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 -5.02 0.66 -0.00 1.45 6.02 -1.22 -2.13 117.38 117.13 1ujt n GLN 11 Ca 0.24 -0.03 0.12 0.00 -0.01 0.00 0.00 57.00 57.32 1ujt n GLN 11 Cb 0.82 -1.58 0.71 0.00 1.02 0.00 0.00 30.24 31.21 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 -2.58 1.03 0.00 -1.09 3.00 0.28 -4.13 118.16 114.67 1ujt n LYS 12 Ca -0.16 -0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.10 1ujt n LYS 12 Cb 0.85 -1.38 0.00 0.00 0.00 0.00 0.00 35.03 34.50 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 -0.83 0.00 -0.11 1.64 4.07 0.28 -4.62 120.64 121.06 1ujt n GLU 13 Ca 0.18 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.25 1ujt n GLU 13 Cb 0.10 -0.22 -0.03 0.00 -0.06 0.00 0.00 31.44 31.22 1ujt n GLU 13 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1ujt n LEU 14 N -2.52 -0.28 0.15 4.31 7.94 -0.91 0.52 117.00 126.21 1ujt n LEU 14 Ca 0.00 0.91 -0.00 0.00 -1.11 0.00 0.00 56.01 55.81 1ujt n LEU 14 Cb 0.15 -0.28 0.21 0.00 0.53 0.00 0.00 43.42 44.03 1ujt n LEU 14 CO 0.00 -0.60 0.55 1.23 -1.11 0.00 0.00 177.39 177.46 1ujt h GLY 15 N 0.00 0.00 0.56 -3.96 0.00 -1.82 -3.24 103.07 94.61 1ujt h GLY 15 Ca 0.04 -0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.39 1ujt h GLY 15 CO -0.25 0.00 -0.22 -1.80 0.00 0.00 0.00 176.54 174.27 1ujt h ASP 16 N 0.00 -0.64 -3.94 0.19 3.58 -0.18 -3.42 116.42 112.01 1ujt h ASP 16 Ca -0.01 0.08 -0.53 0.00 0.42 0.00 0.00 57.03 56.99 1ujt h ASP 16 Cb 0.99 0.25 0.09 0.00 1.72 0.00 0.00 39.33 42.39 1ujt h ASP 16 CO 0.07 -0.30 0.69 0.54 -2.88 0.00 0.00 179.24 177.37 1ujt s VAL 17 N -6.09 2.34 -0.11 2.25 0.11 0.76 -5.01 120.40 114.65 1ujt s VAL 17 Ca -0.15 0.33 -0.04 0.00 -2.93 0.00 0.00 61.98 59.19 1ujt s VAL 17 Cb 0.08 -3.20 -0.04 0.00 -1.53 0.00 0.00 36.38 31.69 1ujt s VAL 17 CO 0.66 0.07 0.03 -0.22 -3.33 0.00 0.00 175.10 172.31 1ujt s LEU 18 N -2.21 3.74 -0.16 2.54 0.20 -1.26 -4.87 118.68 116.66 1ujt s LEU 18 Ca 0.54 0.17 -0.01 0.00 0.69 0.00 0.00 54.13 55.52 1ujt s LEU 18 Cb -0.42 -1.88 -0.01 0.00 -0.43 0.00 0.00 46.19 43.44 1ujt s LEU 18 CO 0.56 0.34 -0.11 -0.69 -0.29 0.00 0.00 176.35 176.16 1ujt s VAL 19 N -0.63 3.08 -0.31 1.68 1.01 -1.26 -2.77 120.40 121.21 1ujt s VAL 19 Ca 0.11 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.38 1ujt s VAL 19 Cb -0.12 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.95 1ujt s VAL 19 CO 0.02 0.50 0.11 -0.13 0.00 0.00 0.00 175.10 175.60 1ujt s ARG 20 N 0.73 3.01 -0.54 2.72 0.52 0.48 -4.35 118.95 121.51 1ujt s ARG 20 Ca -0.05 -0.92 -0.20 0.00 -0.52 0.00 0.00 55.73 54.04 1ujt s ARG 20 Cb -0.15 -3.45 0.07 0.00 0.52 0.00 0.00 34.95 31.93 1ujt s ARG 20 CO 0.02 -0.51 0.70 -1.17 0.02 0.00 0.00 175.30 174.36 1ujt s LEU 21 N 1.50 4.95 0.90 2.53 2.96 -1.26 -1.37 118.68 128.89 1ujt s LEU 21 Ca 0.02 -1.00 -0.11 0.00 -0.22 0.00 0.00 54.13 52.82 1ujt s LEU 21 Cb -0.18 -2.44 0.13 0.00 0.50 0.00 0.00 46.19 44.20 1ujt s LEU 21 CO 0.03 -1.02 1.10 -1.00 -1.32 0.00 0.00 176.35 174.15 1ujt s HIS 22 N 2.87 2.00 0.02 5.38 3.76 -0.91 -4.84 115.29 123.58 1ujt s HIS 22 Ca 0.16 1.54 -0.37 0.00 -0.15 0.00 0.00 55.06 56.24 1ujt s HIS 22 Cb -0.20 -3.19 -0.16 0.00 1.11 0.00 0.00 32.58 30.14 1ujt s HIS 22 CO 0.11 -2.57 1.44 0.09 -0.85 0.00 0.00 174.74 172.96 1ujt n ASN 23 N -4.05 1.93 -4.58 1.40 3.02 -1.26 -4.66 115.26 107.07 1ujt n ASN 23 Ca 0.09 1.11 -0.28 0.00 -0.03 0.00 0.00 54.58 55.46 1ujt n ASN 23 Cb 0.53 -1.20 -0.06 0.00 -0.61 0.00 0.00 39.78 38.44 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 1.13 2.50 -0.16 3.52 0.04 -1.26 -4.83 135.00 135.95 1ujt s PRO 24 Ca 0.87 -1.14 -0.39 0.00 0.04 0.00 0.00 61.00 60.38 1ujt s PRO 24 Cb -0.95 -5.24 -0.16 0.00 0.04 0.00 0.00 34.50 28.20 1ujt s PRO 24 CO 0.49 -3.96 1.62 0.28 0.04 0.00 0.00 177.00 175.48 1ujt n VAL 25 N 7.80 0.22 -3.18 -0.36 0.31 -1.23 -4.80 118.33 117.09 1ujt n VAL 25 Ca 0.45 -0.04 -0.42 0.00 -0.01 0.00 0.00 64.34 64.32 1ujt n VAL 25 Cb 0.47 -1.12 -0.07 0.00 -0.91 0.00 0.00 33.84 32.20 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 2.61 4.95 -0.13 2.52 0.11 -1.26 -2.17 120.40 127.04 1ujt s VAL 26 Ca 0.94 0.35 -0.07 0.00 -2.93 0.00 0.00 61.98 60.27 1ujt s VAL 26 Cb -1.02 -4.04 -0.26 0.00 -1.53 0.00 0.00 36.38 29.53 1ujt s VAL 26 CO 0.59 -0.32 0.34 0.18 -3.33 0.00 0.00 175.10 172.57 1ujt n LEU 27 N 5.91 2.65 -3.78 2.54 7.99 -1.24 -5.01 117.00 126.06 1ujt n LEU 27 Ca -0.03 0.20 -0.09 0.00 -0.01 0.00 0.00 56.01 56.07 1ujt n LEU 27 Cb 0.49 -1.11 -0.06 0.00 -0.11 0.00 0.00 43.42 42.62 1ujt n LEU 27 CO 0.48 0.85 -0.01 0.42 -1.51 0.00 0.00 177.39 177.62 1ujt s THR 28 N -2.55 0.12 -2.00 -5.08 -4.23 -0.91 -5.01 115.64 95.97 1ujt s THR 28 Ca -0.23 -0.96 0.10 0.00 -1.18 0.00 0.00 61.69 59.42 1ujt s THR 28 Cb 0.07 -1.26 0.28 0.00 1.34 0.00 0.00 72.50 72.93 1ujt s THR 28 CO 0.76 -0.53 1.03 -0.81 -0.54 0.00 0.00 174.62 174.53 1ujt n PRO 29 N -0.07 0.49 0.00 3.99 -0.04 -1.26 -2.04 135.00 136.06 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 0.63 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.82 0.00 -3.83 0.52 -2.24 -1.26 -3.51 114.28 103.14 1ujt n THR 30 Ca 0.07 -0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.46 1ujt n THR 30 Cb 0.03 1.13 -0.09 0.00 -2.10 0.00 0.00 70.33 69.31 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 -0.39 0.08 -0.14 4.28 2.01 -0.87 -1.43 115.64 119.19 1ujt s THR 31 Ca 0.00 -0.70 -0.09 0.00 0.31 0.00 0.00 61.69 61.21 1ujt s THR 31 Cb 0.00 -0.64 0.05 0.00 0.01 0.00 0.00 72.50 71.91 1ujt s THR 31 CO 0.00 -0.38 0.34 -0.69 -0.69 0.00 0.00 174.62 173.20 1ujt s VAL 32 N -1.76 -0.02 0.22 3.82 1.01 -0.64 -2.15 120.40 120.88 1ujt s VAL 32 Ca -0.11 0.07 -0.24 0.00 0.00 0.00 0.00 61.98 61.69 1ujt s VAL 32 Cb -0.05 -0.50 -0.09 0.00 0.00 0.00 0.00 36.38 35.75 1ujt s VAL 32 CO 0.01 0.03 0.81 -1.58 0.00 0.00 0.00 175.10 174.36 1ujt s GLN 33 N 0.87 4.51 -0.06 2.72 0.74 -0.92 -1.52 119.66 126.00 1ujt s GLN 33 Ca -0.06 1.14 0.04 0.00 0.05 0.00 0.00 55.36 56.53 1ujt s GLN 33 Cb -0.06 -3.07 0.00 0.00 1.10 0.00 0.00 33.01 30.98 1ujt s GLN 33 CO -0.06 0.46 -0.17 0.08 -0.55 0.00 0.00 175.29 175.05 1ujt s VAL 34 N -1.35 1.49 0.02 1.34 1.01 0.13 -3.51 120.40 119.53 1ujt s VAL 34 Ca 0.41 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1ujt s VAL 34 Cb -0.21 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 1ujt s VAL 34 CO 0.25 0.43 -0.09 -0.89 0.00 0.00 0.00 175.10 174.80 1ujt s THR 35 N 0.30 0.67 -0.05 3.92 2.01 -1.26 -1.33 115.64 119.90 1ujt s THR 35 Ca -0.11 -0.67 -0.19 0.00 0.31 0.00 0.00 61.69 61.04 1ujt s THR 35 Cb -0.14 -0.62 0.04 0.00 0.01 0.00 0.00 72.50 71.78 1ujt s THR 35 CO 0.04 -0.02 0.42 -1.66 -0.69 0.00 0.00 174.62 172.71 1ujt s TRP 36 N -0.65 -0.34 0.03 4.92 -2.14 -1.03 -2.15 118.94 117.58 1ujt s TRP 36 Ca -0.01 0.62 0.06 0.00 2.66 0.00 0.00 56.10 59.43 1ujt s TRP 36 Cb -0.06 0.18 -0.02 0.00 -3.10 0.00 0.00 33.47 30.47 1ujt s TRP 36 CO 0.00 -0.42 -0.17 -0.08 -2.66 0.00 0.00 176.95 173.62 1ujt s THR 37 N -1.05 1.36 -0.06 0.66 -1.32 -0.47 -4.80 115.64 109.96 1ujt s THR 37 Ca -0.11 -1.01 0.04 0.00 -1.21 0.00 0.00 61.69 59.41 1ujt s THR 37 Cb -0.04 -1.19 -0.00 0.00 -1.51 0.00 0.00 72.50 69.76 1ujt s THR 37 CO 0.05 0.16 -0.20 0.68 -2.21 0.00 0.00 174.62 173.10 1ujt s VAL 38 N -0.72 1.72 0.09 5.08 -7.23 -1.26 -0.39 120.40 117.68 1ujt s VAL 38 Ca 0.05 -0.86 -0.35 0.00 -1.81 0.00 0.00 61.98 59.01 1ujt s VAL 38 Cb -0.08 -1.48 -0.17 0.00 0.56 0.00 0.00 36.38 35.22 1ujt s VAL 38 CO 0.01 0.48 1.55 -0.78 -0.31 0.00 0.00 175.10 176.06 1ujt h ASP 39 N 6.40 -1.43 -3.25 4.85 1.82 -1.91 -3.33 116.42 119.57 1ujt h ASP 39 Ca -0.29 0.12 -0.64 0.00 -0.39 0.00 0.00 57.03 55.84 1ujt h ASP 39 Cb 1.19 0.48 -0.41 0.00 0.68 0.00 0.00 39.33 41.28 1ujt h ASP 39 CO 0.47 -0.65 -0.49 -0.13 -1.61 0.00 0.00 179.24 176.83 1ujt s ARG 40 N -5.80 2.57 -0.47 0.28 3.00 -1.26 -5.07 118.95 112.20 1ujt s ARG 40 Ca -0.17 -3.28 -0.46 0.00 0.00 0.00 0.00 55.73 51.82 1ujt s ARG 40 Cb 0.05 -3.51 -0.19 0.00 0.00 0.00 0.00 34.95 31.29 1ujt s ARG 40 CO 0.60 -1.27 1.67 0.94 0.00 0.00 0.00 175.30 177.24 1ujt n GLN 41 N 2.13 0.18 -2.21 3.54 -0.06 -1.25 -4.84 117.38 114.87 1ujt n GLN 41 Ca 0.19 0.07 -0.42 0.00 -2.00 0.00 0.00 57.00 54.83 1ujt n GLN 41 Cb 0.35 -1.60 -0.03 0.00 -4.06 0.00 0.00 30.24 24.90 1ujt n GLN 41 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1ujt s PRO 42 N 3.34 4.34 -0.11 3.69 0.04 -1.26 -4.96 135.00 140.10 1ujt s PRO 42 Ca 1.05 2.04 -0.27 0.00 0.04 0.00 0.00 61.00 63.86 1ujt s PRO 42 Cb -1.43 -3.25 -0.24 0.00 0.04 0.00 0.00 34.50 29.63 1ujt s PRO 42 CO 0.78 -0.39 0.88 1.96 0.04 0.00 0.00 177.00 180.28 1ujt h GLN 43 N 6.55 -0.01 -0.85 4.56 4.20 -2.00 -3.31 115.11 124.25 1ujt h GLN 43 Ca -0.42 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.43 1ujt h GLN 43 Cb 1.21 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.90 1ujt h GLN 43 CO 0.84 0.82 0.44 0.27 -0.67 0.00 0.00 178.83 180.53 1ujt h PHE 44 N -0.87 0.78 -0.70 2.96 -0.00 -1.97 -3.43 116.94 113.71 1ujt h PHE 44 Ca -0.00 0.03 -0.41 0.00 -0.00 0.00 0.00 57.97 57.59 1ujt h PHE 44 Cb 0.83 -0.22 0.07 0.00 -0.00 0.00 0.00 35.95 36.63 1ujt h PHE 44 CO 0.22 0.20 -0.38 1.51 -0.00 0.00 0.00 178.31 179.86 1ujt n ILE 45 N -4.85 1.10 -0.02 0.88 3.06 -1.25 -4.88 119.36 113.40 1ujt n ILE 45 Ca 0.17 -0.31 -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 40.45 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 0.66 0.66 0.00 9.51 6.02 -0.95 -4.87 117.38 128.41 1ujt n GLN 46 Ca 0.11 0.27 0.00 0.00 -0.01 0.00 0.00 57.00 57.36 1ujt n GLN 46 Cb 0.17 -1.76 0.00 0.00 1.02 0.00 0.00 30.24 29.68 1ujt n GLN 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ujt n GLY 47 N 1.66 -0.39 3.60 1.08 0.00 -1.24 -3.60 105.19 106.30 1ujt n GLY 47 Ca -0.21 0.42 -0.07 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 0.00 -1.02 -0.47 1.61 2.02 -1.26 -4.36 117.35 113.88 1ujt s TYR 48 Ca 0.00 2.05 -0.09 0.00 -0.37 0.00 0.00 57.07 58.65 1ujt s TYR 48 Cb 0.00 0.60 0.12 0.00 -0.40 0.00 0.00 41.96 42.27 1ujt s TYR 48 CO 0.00 -0.51 0.34 0.50 -1.57 0.00 0.00 175.55 174.31 1ujt s ARG 49 N 1.61 2.49 -0.66 -0.62 6.06 -1.24 -2.25 118.95 124.33 1ujt s ARG 49 Ca -0.10 -1.74 -0.27 0.00 -2.50 0.00 0.00 55.73 51.12 1ujt s ARG 49 Cb -0.05 -3.91 0.03 0.00 0.06 0.00 0.00 34.95 31.08 1ujt s ARG 49 CO -0.19 -1.17 1.21 0.08 -2.50 0.00 0.00 175.30 172.73 1ujt s VAL 50 N 1.37 3.90 0.04 7.11 1.01 -0.93 -4.07 120.40 128.84 1ujt s VAL 50 Ca 0.05 0.54 -0.22 0.00 0.00 0.00 0.00 61.98 62.36 1ujt s VAL 50 Cb -0.26 -4.81 -0.06 0.00 0.00 0.00 0.00 36.38 31.25 1ujt s VAL 50 CO -0.00 -1.60 0.65 -0.04 0.00 0.00 0.00 175.10 174.11 1ujt s MET 51 N 5.25 4.37 0.05 2.72 -1.94 -1.16 -1.07 119.30 127.51 1ujt s MET 51 Ca 0.37 0.87 -0.14 0.00 -1.71 0.00 0.00 55.69 55.07 1ujt s MET 51 Cb -0.09 -3.32 0.02 0.00 2.01 0.00 0.00 34.83 33.46 1ujt s MET 51 CO 0.19 0.43 0.32 1.52 -0.01 0.00 0.00 175.02 177.46 1ujt s TYR 52 N -0.46 -0.12 0.01 -0.03 1.13 -0.91 -2.33 117.35 114.63 1ujt s TYR 52 Ca 0.33 -0.02 -0.29 0.00 -1.41 0.00 0.00 57.07 55.68 1ujt s TYR 52 Cb -0.20 0.11 0.10 0.00 -1.10 0.00 0.00 41.96 40.88 1ujt s TYR 52 CO 0.20 -0.52 1.10 -0.98 -2.51 0.00 0.00 175.55 172.84 1ujt s ARG 53 N -2.62 0.71 0.18 -3.49 1.70 -1.18 -0.87 118.95 113.38 1ujt s ARG 53 Ca -0.04 -0.36 -0.21 0.00 -0.47 0.00 0.00 55.73 54.65 1ujt s ARG 53 Cb -0.01 0.27 -0.08 0.00 -0.57 0.00 0.00 34.95 34.56 1ujt s ARG 53 CO -0.04 -0.32 0.72 -1.14 -1.08 0.00 0.00 175.30 173.44 1ujt s GLN 54 N -2.82 4.34 -0.22 3.89 0.74 -1.24 -2.32 119.66 122.02 1ujt s GLN 54 Ca 0.11 0.93 -0.13 0.00 0.05 0.00 0.00 55.36 56.33 1ujt s GLN 54 Cb 0.01 -3.04 -0.18 0.00 1.10 0.00 0.00 33.01 30.90 1ujt s GLN 54 CO -0.03 0.48 -0.00 0.25 -0.55 0.00 0.00 175.29 175.44 1ujt n THR 55 N 1.11 1.57 -4.38 -0.34 -2.24 -1.16 -1.66 114.28 107.20 1ujt n THR 55 Ca -0.04 -0.34 -0.28 0.00 -2.27 0.00 0.00 64.05 61.12 1ujt n THR 55 Cb 0.50 -1.84 -0.13 0.00 -2.10 0.00 0.00 70.33 66.77 1ujt n THR 55 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ujt s SER 56 N -7.04 3.20 0.00 3.42 0.15 -1.26 -4.00 113.70 108.17 1ujt s SER 56 Ca -0.32 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 55.57 1ujt s SER 56 Cb 0.09 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 1ujt s SER 56 CO 0.60 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.79 1ujt n GLY 57 N 0.82 0.21 0.10 9.45 0.00 -1.26 -4.52 105.19 109.99 1ujt n GLY 57 Ca -0.17 -1.92 -0.19 0.00 0.00 0.00 0.00 46.02 43.73 1ujt n GLY 57 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ujt h LEU 58 N 0.00 0.06 -2.02 0.99 7.12 -1.99 -3.34 115.31 116.14 1ujt h LEU 58 Ca 0.00 -0.71 -0.06 0.00 0.13 0.00 0.00 57.88 57.24 1ujt h LEU 58 Cb 0.00 -0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 40.08 1ujt h LEU 58 CO 0.00 1.37 0.07 0.00 -0.13 0.00 0.00 178.44 179.75 1ujt n GLN 59 N -4.40 1.51 -2.65 1.25 1.13 -1.26 -4.82 117.38 108.13 1ujt n GLN 59 Ca -0.25 -0.64 -0.39 0.00 -1.94 0.00 0.00 57.00 53.79 1ujt n GLN 59 Cb 0.66 -1.43 -0.05 0.00 0.11 0.00 0.00 30.24 29.52 1ujt n GLN 59 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ujt s ALA 60 N -0.99 3.28 -0.87 -1.58 0.00 -1.26 -3.73 121.76 116.61 1ujt s ALA 60 Ca 0.12 0.68 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 1ujt s ALA 60 Cb 0.09 -3.24 0.11 0.00 0.00 0.00 0.00 23.12 20.08 1ujt s ALA 60 CO 0.03 0.03 0.28 -2.37 0.00 0.00 0.00 175.76 173.73 1ujt n THR 61 N 0.91 0.00 -0.09 0.00 5.66 -0.66 -4.70 114.28 115.39 1ujt n THR 61 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.89 1ujt n THR 61 Cb 0.48 -0.23 -0.04 0.00 -1.55 0.00 0.00 70.33 68.98 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 -0.78 1.89 -3.66 1.09 2.88 -1.25 -5.02 113.62 108.78 1ujt n SER 62 Ca 0.06 0.44 -0.07 0.00 -1.33 0.00 0.00 58.87 57.97 1ujt n SER 62 Cb 0.22 -0.82 -0.08 0.00 -0.75 0.00 0.00 64.21 62.79 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 -6.16 -0.79 0.30 -3.46 0.01 -1.26 -5.15 113.70 97.18 1ujt s SER 63 Ca -0.26 1.30 -0.28 0.00 1.31 0.00 0.00 55.95 58.03 1ujt s SER 63 Cb 0.05 1.41 -0.09 0.00 0.21 0.00 0.00 66.02 67.59 1ujt s SER 63 CO 0.38 -0.22 1.04 0.26 0.41 0.00 0.00 173.24 175.11 1ujt s TRP 64 N 1.95 3.61 0.29 2.43 0.52 -1.26 -4.82 118.94 121.67 1ujt s TRP 64 Ca -0.08 1.75 0.07 0.00 0.02 0.00 0.00 56.10 57.85 1ujt s TRP 64 Cb -0.08 -3.15 -0.03 0.00 -1.15 0.00 0.00 33.47 29.06 1ujt s TRP 64 CO -0.17 -0.27 0.28 -0.65 0.02 0.00 0.00 176.95 176.16 1ujt s GLN 65 N -1.68 2.92 -0.04 4.98 -0.21 -0.04 -4.97 119.66 120.62 1ujt s GLN 65 Ca 0.47 -1.12 -0.02 0.00 0.02 0.00 0.00 55.36 54.72 1ujt s GLN 65 Cb -0.27 -2.59 0.03 0.00 1.00 0.00 0.00 33.01 31.18 1ujt s GLN 65 CO 0.34 0.25 0.05 -0.80 -2.12 0.00 0.00 175.29 173.01 1ujt s ASN 66 N -3.95 1.10 -0.46 5.90 0.01 -1.26 -2.15 114.94 114.12 1ujt s ASN 66 Ca 0.37 0.05 -0.09 0.00 -0.71 0.00 0.00 52.86 52.48 1ujt s ASN 66 Cb -0.07 -0.17 0.11 0.00 0.41 0.00 0.00 41.25 41.52 1ujt s ASN 66 CO 0.27 -0.23 0.32 -0.22 -1.51 0.00 0.00 177.10 175.73 1ujt s LEU 67 N 2.04 5.54 -0.02 0.60 2.96 -0.24 -4.94 118.68 124.63 1ujt s LEU 67 Ca 0.04 -1.77 -0.30 0.00 -0.22 0.00 0.00 54.13 51.88 1ujt s LEU 67 Cb -0.12 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 1ujt s LEU 67 CO -0.03 -0.65 1.34 1.51 -1.32 0.00 0.00 176.35 177.20 1ujt s ASP 68 N 2.52 6.91 0.10 3.68 1.47 -1.26 -2.18 116.67 127.91 1ujt s ASP 68 Ca 0.05 2.02 0.15 0.00 1.18 0.00 0.00 52.55 55.95 1ujt s ASP 68 Cb -0.25 -2.56 -0.11 0.00 -0.34 0.00 0.00 42.92 39.66 1ujt s ASP 68 CO 0.00 -0.68 0.96 0.00 0.68 0.00 0.00 175.17 176.13 1ujt h ALA 69 N 7.72 0.65 -4.66 2.11 0.00 -1.87 -3.48 119.26 119.73 1ujt h ALA 69 Ca -0.37 -0.83 -0.37 0.00 0.00 0.00 0.00 54.91 53.34 1ujt h ALA 69 Cb 1.17 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1ujt h ALA 69 CO 0.90 0.94 -0.54 1.63 0.00 0.00 0.00 179.25 182.18 1ujt n LYS 70 N -3.00 -3.71 -3.26 0.00 5.02 -1.26 -4.94 118.16 107.02 1ujt n LYS 70 Ca -0.07 0.70 -0.04 0.00 -2.02 0.00 0.00 58.31 56.88 1ujt n LYS 70 Cb 0.84 -5.45 -0.04 0.00 -0.02 0.00 0.00 35.03 30.36 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 -2.99 -0.77 0.14 -0.18 1.01 -1.26 -5.00 120.40 111.35 1ujt s VAL 71 Ca 0.27 -0.11 0.33 0.00 0.00 0.00 0.00 61.98 62.47 1ujt s VAL 71 Cb -0.13 -0.94 0.38 0.00 0.00 0.00 0.00 36.38 35.68 1ujt s VAL 71 CO 0.34 -0.12 1.99 1.55 0.00 0.00 0.00 175.10 178.86 1ujt h PRO 72 N 8.10 0.00 0.00 2.72 0.13 -1.83 -2.82 132.00 138.31 1ujt h PRO 72 Ca -0.14 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.82 1ujt h PRO 72 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1ujt h PRO 72 CO 0.25 0.03 -1.01 1.79 -0.23 0.00 0.00 178.00 178.82 1ujt h THR 73 N 0.00 1.07 -3.27 1.56 1.35 -1.94 -3.45 112.91 108.22 1ujt h THR 73 Ca -0.00 -2.63 -0.56 0.00 -0.55 0.00 0.00 66.41 62.67 1ujt h THR 73 Cb 0.51 2.48 -0.03 0.00 -1.73 0.00 0.00 68.15 69.37 1ujt h THR 73 CO 0.00 0.61 0.55 -1.61 -0.25 0.00 0.00 175.52 174.82 1ujt s GLU 74 N -2.82 4.44 -0.24 4.72 0.41 -1.06 -4.93 118.70 119.21 1ujt s GLU 74 Ca 0.00 1.41 0.10 0.00 -0.41 0.00 0.00 54.97 56.08 1ujt s GLU 74 Cb 0.09 -3.53 0.45 0.00 -1.78 0.00 0.00 34.13 29.36 1ujt s GLU 74 CO 0.79 -0.29 1.31 0.54 -0.49 0.00 0.00 175.26 177.13 1ujt n ARG 75 N 4.86 1.73 -3.66 1.61 1.74 -1.26 -4.89 116.66 116.79 1ujt n ARG 75 Ca 0.08 -3.30 -0.12 0.00 -0.77 0.00 0.00 57.85 53.74 1ujt n ARG 75 Cb 0.49 -1.71 -0.08 0.00 -1.02 0.00 0.00 32.46 30.14 1ujt n ARG 75 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ujt s SER 76 N -3.00 -0.70 0.25 0.55 1.04 -1.26 -2.47 113.70 108.11 1ujt s SER 76 Ca 0.41 1.29 0.01 0.00 0.48 0.00 0.00 55.95 58.14 1ujt s SER 76 Cb 0.39 1.28 -0.04 0.00 0.10 0.00 0.00 66.02 67.74 1ujt s SER 76 CO -0.04 -0.22 0.12 0.00 0.98 0.00 0.00 173.24 174.08 1ujt s ALA 77 N 0.61 1.59 -0.26 5.32 0.00 -0.44 -4.98 121.76 123.60 1ujt s ALA 77 Ca -0.02 -1.80 -0.02 0.00 0.00 0.00 0.00 51.96 50.12 1ujt s ALA 77 Cb -0.05 1.18 0.08 0.00 0.00 0.00 0.00 23.12 24.34 1ujt s ALA 77 CO -0.03 -0.51 0.07 0.08 0.00 0.00 0.00 175.76 175.37 1ujt s VAL 78 N -3.85 0.59 -0.23 0.00 1.01 -1.26 0.18 120.40 116.84 1ujt s VAL 78 Ca 0.38 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 1ujt s VAL 78 Cb 0.07 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 1ujt s VAL 78 CO 0.14 -0.48 1.30 -0.76 0.00 0.00 0.00 175.10 175.30 1ujt s LEU 79 N 1.79 4.03 0.41 3.92 1.43 -0.58 -4.87 118.68 124.82 1ujt s LEU 79 Ca 0.05 1.48 0.08 0.00 -1.03 0.00 0.00 54.13 54.70 1ujt s LEU 79 Cb -0.17 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1ujt s LEU 79 CO -0.20 -0.93 0.32 0.68 0.23 0.00 0.00 176.35 176.46 1ujt s VAL 80 N 3.99 2.57 -0.86 -1.59 -7.23 -1.26 -1.63 120.40 114.39 1ujt s VAL 80 Ca 0.56 -1.44 -0.01 0.00 -1.81 0.00 0.00 61.98 59.28 1ujt s VAL 80 Cb -0.20 -3.00 -0.02 0.00 0.56 0.00 0.00 36.38 33.73 1ujt s VAL 80 CO 0.19 -0.00 0.73 0.59 -0.31 0.00 0.00 175.10 176.30 1ujt n ASN 81 N -1.46 -3.06 -4.83 4.85 3.02 -0.51 -4.95 115.26 108.30 1ujt n ASN 81 Ca 0.02 -0.48 -0.21 0.00 -0.03 0.00 0.00 54.58 53.88 1ujt n ASN 81 Cb 0.62 -3.96 -0.04 0.00 -0.61 0.00 0.00 39.78 35.79 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 -5.10 3.61 0.44 3.41 1.43 -0.67 -5.04 118.68 116.75 1ujt s LEU 82 Ca 0.10 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.62 1ujt s LEU 82 Cb -0.01 -2.20 -0.06 0.00 0.03 0.00 0.00 46.19 43.95 1ujt s LEU 82 CO 0.55 -0.28 0.82 -0.75 0.23 0.00 0.00 176.35 176.91 1ujt s LYS 83 N -3.95 3.77 -0.14 1.70 2.20 -1.26 -4.40 119.74 117.67 1ujt s LYS 83 Ca 0.39 0.53 -0.07 0.00 -0.36 0.00 0.00 55.97 56.46 1ujt s LYS 83 Cb -0.06 -2.34 -0.04 0.00 -1.51 0.00 0.00 37.83 33.88 1ujt s LYS 83 CO 0.26 -0.11 0.12 0.15 -0.36 0.00 0.00 175.35 175.41 1ujt s LYS 84 N -4.03 3.59 -0.36 4.03 3.01 -1.23 -4.52 119.74 120.24 1ujt s LYS 84 Ca 0.52 -0.18 -0.00 0.00 -1.01 0.00 0.00 55.97 55.30 1ujt s LYS 84 Cb -0.10 -3.21 -0.00 0.00 -1.01 0.00 0.00 37.83 33.50 1ujt s LYS 84 CO 0.34 0.65 0.30 0.41 0.51 0.00 0.00 175.35 177.55 1ujt n GLY 85 N 2.40 0.20 3.64 -3.33 0.00 0.36 -4.93 105.19 103.53 1ujt n GLY 85 Ca -0.19 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.11 0.00 0.38 1.61 0.11 -1.21 -4.99 120.40 113.19 1ujt s VAL 86 Ca 0.01 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.82 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 0.22 0.00 0.99 -0.89 -3.33 0.00 0.00 175.10 172.09 1ujt s THR 87 N 0.41 4.07 -0.03 5.04 2.01 -1.26 -2.91 115.64 122.96 1ujt s THR 87 Ca 0.01 1.55 0.03 0.00 0.31 0.00 0.00 61.69 63.59 1ujt s THR 87 Cb -0.05 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.68 1ujt s THR 87 CO -0.06 -0.03 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.42 1ujt s TYR 88 N -1.78 1.22 -0.32 4.92 2.02 0.26 -2.96 117.35 120.71 1ujt s TYR 88 Ca 0.56 -0.33 -0.12 0.00 -0.37 0.00 0.00 57.07 56.81 1ujt s TYR 88 Cb -0.17 -0.85 -0.03 0.00 -0.40 0.00 0.00 41.96 40.51 1ujt s TYR 88 CO 0.22 -0.13 0.22 -2.00 -1.57 0.00 0.00 175.55 172.29 1ujt s GLU 89 N 0.20 3.60 0.07 -0.62 2.12 -0.98 -0.36 118.70 122.73 1ujt s GLU 89 Ca -0.04 -0.57 0.09 0.00 0.36 0.00 0.00 54.97 54.81 1ujt s GLU 89 Cb -0.10 -3.74 -0.03 0.00 0.26 0.00 0.00 34.13 30.52 1ujt s GLU 89 CO 0.01 -0.37 -0.24 0.42 -0.54 0.00 0.00 175.26 174.54 1ujt s ILE 90 N 1.72 1.94 -0.18 -3.70 1.09 -0.99 -3.13 121.20 117.95 1ujt s ILE 90 Ca 0.06 -1.42 -0.14 0.00 -1.10 0.00 0.00 60.65 58.05 1ujt s ILE 90 Cb -0.17 -1.70 0.05 0.00 -1.06 0.00 0.00 42.46 39.58 1ujt s ILE 90 CO 0.10 0.20 0.46 -1.59 -0.10 0.00 0.00 174.94 174.01 1ujt s LYS 91 N -1.47 0.50 0.22 2.79 0.00 -0.98 -2.05 119.74 118.75 1ujt s LYS 91 Ca 0.10 0.71 -0.05 0.00 0.00 0.00 0.00 55.97 56.73 1ujt s LYS 91 Cb -0.10 0.18 -0.05 0.00 0.00 0.00 0.00 37.83 37.86 1ujt s LYS 91 CO 0.03 -0.09 0.47 0.08 0.00 0.00 0.00 175.35 175.83 1ujt s VAL 92 N 0.63 5.09 -0.28 1.79 1.01 -1.26 -2.97 120.40 124.41 1ujt s VAL 92 Ca -0.03 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 1ujt s VAL 92 Cb -0.05 -3.68 0.12 0.00 0.00 0.00 0.00 36.38 32.77 1ujt s VAL 92 CO -0.04 -0.14 0.62 0.00 0.00 0.00 0.00 175.10 175.54 1ujt s ARG 93 N -3.10 0.56 -0.24 2.72 1.70 -1.26 -0.11 118.95 119.22 1ujt s ARG 93 Ca 0.43 1.36 -0.29 0.00 -0.47 0.00 0.00 55.73 56.76 1ujt s ARG 93 Cb -0.11 0.69 -0.02 0.00 -0.57 0.00 0.00 34.95 34.94 1ujt s ARG 93 CO 0.27 -0.20 1.62 -1.25 -1.08 0.00 0.00 175.30 174.66 1ujt s PRO 94 N 2.67 3.75 0.16 3.89 0.04 -1.26 -3.59 135.00 140.67 1ujt s PRO 94 Ca -0.06 1.62 0.10 0.00 0.04 0.00 0.00 61.00 62.70 1ujt s PRO 94 Cb -0.11 -4.05 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 1ujt s PRO 94 CO -0.18 -1.34 -0.19 1.52 0.04 0.00 0.00 177.00 176.85 1ujt s TYR 95 N 5.33 2.45 0.00 0.56 -0.85 -1.26 0.54 117.35 124.12 1ujt s TYR 95 Ca 0.72 -0.30 0.00 0.00 -0.52 0.00 0.00 57.07 56.97 1ujt s TYR 95 Cb -0.24 -1.25 0.00 0.00 0.38 0.00 0.00 41.96 40.85 1ujt s TYR 95 CO 0.30 0.46 0.00 0.34 -1.52 0.00 0.00 175.55 175.12 1ujt n PHE 96 N 0.42 0.00 0.01 -3.49 7.35 -1.24 -2.23 117.46 118.28 1ujt n PHE 96 Ca -0.13 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.53 1ujt n PHE 96 Cb 0.55 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.37 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 -2.19 1.10 0.00 -2.13 4.13 -1.26 -4.22 115.26 110.69 1ujt n ASN 97 Ca 0.00 0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.42 1ujt n ASN 97 Cb 0.00 -0.39 0.00 0.00 -1.54 0.00 0.00 39.78 37.85 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 -3.53 0.00 -0.76 3.52 -0.00 -1.26 -5.08 120.64 113.52 1ujt n GLU 98 Ca -0.03 0.00 -0.29 0.00 -0.00 0.00 0.00 57.16 56.83 1ujt n GLU 98 Cb 0.12 -0.54 0.20 0.00 -0.00 0.00 0.00 31.44 31.22 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 -1.89 1.68 -0.01 -1.84 -0.71 -1.26 -5.06 117.98 108.89 1ujt s PHE 99 Ca 0.00 1.38 0.02 0.00 -1.04 0.00 0.00 56.93 57.29 1ujt s PHE 99 Cb 0.00 -3.19 0.00 0.00 -1.21 0.00 0.00 43.02 38.62 1ujt s PHE 99 CO 0.00 -3.19 -0.05 1.14 -1.34 0.00 0.00 175.22 171.78 1ujt s GLN 100 N -4.64 0.50 1.04 1.99 0.00 -1.26 -3.61 119.66 113.68 1ujt s GLN 100 Ca 0.67 -0.18 -0.13 0.00 -0.00 0.00 0.00 55.36 55.72 1ujt s GLN 100 Cb -0.22 -0.50 0.21 0.00 0.00 0.00 0.00 33.01 32.50 1ujt s GLN 100 CO 0.61 0.08 1.09 0.20 0.00 0.00 0.00 175.29 177.27 1ujt s GLY 101 N 0.06 1.56 -0.24 2.60 0.00 0.19 -4.86 107.32 106.62 1ujt s GLY 101 Ca -0.00 -0.42 -0.38 0.00 0.00 0.00 0.00 44.72 43.91 1ujt s GLY 101 CO -0.00 0.24 1.82 1.15 0.00 0.00 0.00 173.10 176.30 1ujt n MET 102 N -4.32 1.41 -1.71 2.90 0.00 -1.26 -4.52 117.12 109.61 1ujt n MET 102 Ca 0.05 0.51 -0.41 0.00 0.00 0.00 0.00 57.70 57.85 1ujt n MET 102 Cb 0.57 -2.27 0.00 0.00 0.00 0.00 0.00 33.22 31.53 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 6.05 2.84 -4.58 3.17 5.68 -1.26 -4.72 116.55 123.73 1ujt n ASP 103 Ca 0.27 1.16 -0.29 0.00 -0.50 0.00 0.00 54.79 55.42 1ujt n ASP 103 Cb 0.18 -1.52 0.15 0.00 -1.14 0.00 0.00 41.12 38.78 1ujt n ASP 103 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1ujt s SER 104 N -0.40 3.41 -0.33 -1.12 0.15 0.84 -4.90 113.70 111.35 1ujt s SER 104 Ca 0.58 0.74 -0.29 0.00 0.70 0.00 0.00 55.95 57.68 1ujt s SER 104 Cb -0.52 -1.15 -0.07 0.00 -1.71 0.00 0.00 66.02 62.58 1ujt s SER 104 CO 0.60 -2.59 2.28 -0.62 1.20 0.00 0.00 173.24 174.11 1ujt n GLU 105 N -3.75 1.53 -1.58 5.44 1.02 -1.26 -4.67 120.64 117.37 1ujt n GLU 105 Ca 0.09 0.35 -0.43 0.00 -0.02 0.00 0.00 57.16 57.15 1ujt n GLU 105 Cb 0.60 -3.10 -0.04 0.00 -0.02 0.00 0.00 31.44 28.89 1ujt n GLU 105 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ujt n SER 106 N 12.34 3.05 -4.63 1.62 3.41 -1.26 -4.68 113.62 123.46 1ujt n SER 106 Ca 0.35 0.16 -0.35 0.00 -0.26 0.00 0.00 58.87 58.77 1ujt n SER 106 Cb 0.42 -1.53 -0.10 0.00 -0.26 0.00 0.00 64.21 62.75 1ujt n SER 106 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1ujt s LYS 107 N 6.53 3.98 -0.06 4.33 -0.14 -0.87 -4.92 119.74 128.59 1ujt s LYS 107 Ca 1.02 -0.34 -0.17 0.00 -1.36 0.00 0.00 55.97 55.12 1ujt s LYS 107 Cb -0.38 -3.23 -0.05 0.00 -1.68 0.00 0.00 37.83 32.49 1ujt s LYS 107 CO 0.36 0.26 0.45 0.95 -0.76 0.00 0.00 175.35 176.61 1ujt s THR 108 N 0.41 5.10 -0.17 2.17 -4.23 -1.26 -2.36 115.64 115.30 1ujt s THR 108 Ca 0.03 0.90 0.00 0.00 -1.18 0.00 0.00 61.69 61.45 1ujt s THR 108 Cb -0.12 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.95 1ujt s THR 108 CO 0.00 0.44 -0.15 0.54 -0.54 0.00 0.00 174.62 174.91 1ujt s VAL 109 N -0.16 2.57 -0.53 2.29 0.11 0.52 -4.86 120.40 120.34 1ujt s VAL 109 Ca 0.25 -0.79 -0.19 0.00 -2.93 0.00 0.00 61.98 58.31 1ujt s VAL 109 Cb -0.16 -2.09 0.07 0.00 -1.53 0.00 0.00 36.38 32.66 1ujt s VAL 109 CO 0.12 0.51 0.67 -0.60 -3.33 0.00 0.00 175.10 172.47 1ujt s ARG 110 N 1.03 3.12 -0.52 1.54 3.52 -1.26 -0.57 118.95 125.80 1ujt s ARG 110 Ca -0.01 -0.93 -0.28 0.00 -0.13 0.00 0.00 55.73 54.37 1ujt s ARG 110 Cb -0.15 -4.13 0.02 0.00 -1.56 0.00 0.00 34.95 29.13 1ujt s ARG 110 CO -0.04 -1.32 1.36 0.95 -0.81 0.00 0.00 175.30 175.45 1ujt s THR 111 N 2.76 3.88 1.03 4.11 -4.23 -1.15 -4.96 115.64 117.10 1ujt s THR 111 Ca 0.16 0.81 -0.19 0.00 -1.18 0.00 0.00 61.69 61.29 1ujt s THR 111 Cb -0.20 -4.43 -0.02 0.00 1.34 0.00 0.00 72.50 69.19 1ujt s THR 111 CO 0.11 -1.07 -0.38 1.07 -0.54 0.00 0.00 174.62 173.80 1ujt n THR 112 N 6.89 0.00 0.00 3.99 5.66 -1.26 -0.49 114.28 129.08 1ujt n THR 112 Ca 0.13 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 1ujt n THR 112 Cb 0.49 -0.38 0.00 0.00 -1.55 0.00 0.00 70.33 68.89 1ujt n THR 112 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1ujt n GLU 113 N -0.22 2.52 -2.91 1.09 0.28 -1.26 -2.98 120.64 117.16 1ujt n GLU 113 Ca 0.01 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.65 1ujt n GLU 113 Cb 0.62 -0.84 -0.06 0.00 1.43 0.00 0.00 31.44 32.59 1ujt n GLU 113 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1ujt s GLU 114 N -1.60 4.38 -0.54 3.44 2.12 -1.26 -4.95 118.70 120.29 1ujt s GLU 114 Ca 0.00 1.10 -0.27 0.00 0.36 0.00 0.00 54.97 56.16 1ujt s GLU 114 Cb 0.00 -2.70 -0.03 0.00 0.26 0.00 0.00 34.13 31.66 1ujt s GLU 114 CO 0.00 0.26 1.92 -1.12 -0.54 0.00 0.00 175.26 175.78 1ujt s SER 115 N -1.77 5.27 -0.34 -1.70 0.01 -1.26 -4.90 113.70 109.02 1ujt s SER 115 Ca 0.50 0.62 -0.00 0.00 1.31 0.00 0.00 55.95 58.37 1ujt s SER 115 Cb -0.16 -2.52 0.13 0.00 0.21 0.00 0.00 66.02 63.68 1ujt s SER 115 CO 0.21 -2.32 0.21 -0.83 0.41 0.00 0.00 173.24 170.92 1ujt s GLY 116 N 8.27 0.66 0.77 3.44 0.00 -1.26 -5.14 107.32 114.06 1ujt s GLY 116 Ca 0.74 -1.58 -0.11 0.00 0.00 0.00 0.00 44.72 43.77 1ujt s GLY 116 CO 0.24 2.17 1.09 2.56 0.00 0.00 0.00 173.10 179.16 1ujt s PRO 117 N 1.34 2.27 0.16 2.90 0.04 -1.26 -5.08 135.00 135.38 1ujt s PRO 117 Ca 0.16 1.17 -0.14 0.00 0.04 0.00 0.00 61.00 62.23 1ujt s PRO 117 Cb -0.21 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.45 1ujt s PRO 117 CO -0.08 -1.64 0.41 0.45 0.04 0.00 0.00 177.00 176.18 1ujt s SER 118 N -3.38 -0.14 0.58 6.66 0.15 -1.26 -5.16 113.70 111.15 1ujt s SER 118 Ca 0.61 -0.57 -0.19 0.00 0.70 0.00 0.00 55.95 56.51 1ujt s SER 118 Cb -0.17 0.50 -0.04 0.00 -1.71 0.00 0.00 66.02 64.60 1ujt s SER 118 CO 0.56 -0.94 1.14 -0.94 1.20 0.00 0.00 173.24 174.26 1ujt s SER 119 N -2.88 5.48 0.00 5.45 1.04 -1.26 -5.24 113.70 116.29 1ujt s SER 119 Ca 0.10 2.20 0.00 0.00 0.48 0.00 0.00 55.95 58.73 1ujt s SER 119 Cb 0.01 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1ujt s SER 119 CO -0.04 -1.38 0.00 0.61 0.98 0.00 0.00 173.24 173.40