#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 0.94 -3.98 1.61 7.64 -1.26 -4.87 113.62 113.70 1ujt n SER 2 Ca 0.00 -2.33 -0.28 0.00 1.01 0.00 0.00 58.87 57.27 1ujt n SER 2 Cb 0.00 0.68 -0.01 0.00 -1.01 0.00 0.00 64.21 63.86 1ujt n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ujt n SER 3 N -1.78 -1.60 0.00 6.43 7.64 -1.26 -4.61 113.62 118.44 1ujt n SER 3 Ca -0.03 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.89 1ujt n SER 3 Cb 0.37 -3.19 0.00 0.00 -1.01 0.00 0.00 64.21 60.39 1ujt n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujt n GLY 4 N -1.78 -0.95 0.08 0.23 0.00 -1.26 -4.80 105.19 96.71 1ujt n GLY 4 Ca -0.18 -1.50 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 1ujt n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ujt h SER 5 N 0.00 0.12 -6.47 1.61 0.02 -1.93 -3.47 113.55 103.43 1ujt h SER 5 Ca 0.00 -0.25 -0.50 0.00 -0.84 0.00 0.00 61.79 60.20 1ujt h SER 5 Cb 0.00 -0.03 -0.09 0.00 0.14 0.00 0.00 62.40 62.42 1ujt h SER 5 CO 0.00 0.34 -0.82 -0.24 -1.14 0.00 0.00 176.83 174.98 1ujt n SER 6 N -4.88 -3.06 -2.78 3.07 2.88 -1.26 -4.90 113.62 102.69 1ujt n SER 6 Ca -0.06 -0.91 -0.09 0.00 -1.33 0.00 0.00 58.87 56.48 1ujt n SER 6 Cb 0.16 -3.35 0.05 0.00 -0.75 0.00 0.00 64.21 60.32 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 -1.64 0.32 0.09 0.46 0.00 -1.26 -4.98 105.19 98.18 1ujt n GLY 7 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 1ujt n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ujt n ARG 8 N 1.46 0.59 0.00 1.61 0.63 -1.26 -4.40 116.66 115.28 1ujt n ARG 8 Ca 0.10 0.10 0.15 0.00 -0.92 0.00 0.00 57.85 57.27 1ujt n ARG 8 Cb 0.63 -1.39 0.83 0.00 0.45 0.00 0.00 32.46 32.98 1ujt n ARG 8 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1ujt n GLN 9 N -3.02 0.70 0.08 -0.14 7.27 -1.26 -4.09 117.38 116.92 1ujt n GLN 9 Ca -0.33 0.01 -0.05 0.00 0.07 0.00 0.00 57.00 56.69 1ujt n GLN 9 Cb 0.88 -1.50 -0.03 0.00 2.41 0.00 0.00 30.24 32.00 1ujt n GLN 9 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1ujt h VAL 10 N 0.00 0.00 -0.08 1.69 2.07 -1.96 0.57 116.25 118.55 1ujt h VAL 10 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ujt h VAL 10 Cb 0.13 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1ujt h VAL 10 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1ujt n GLN 11 N -3.18 1.45 0.00 1.57 6.02 -1.26 -1.51 117.38 120.46 1ujt n GLN 11 Ca -0.03 -0.39 0.00 0.00 -0.01 0.00 0.00 57.00 56.57 1ujt n GLN 11 Cb 0.13 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.89 1ujt n GLN 11 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1ujt n LYS 12 N 0.02 3.11 0.00 -1.09 4.81 -0.82 -4.83 118.16 119.36 1ujt n LYS 12 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1ujt n LYS 12 Cb 0.32 -0.74 0.00 0.00 0.02 0.00 0.00 35.03 34.63 1ujt n LYS 12 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1ujt n GLU 13 N -1.18 0.00 0.00 1.64 4.07 0.19 -4.59 120.64 120.78 1ujt n GLU 13 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1ujt n GLU 13 Cb 0.00 -0.85 0.00 0.00 -0.06 0.00 0.00 31.44 30.53 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 -2.62 0.00 -0.03 4.31 7.94 -0.57 -0.57 117.00 125.45 1ujt n LEU 14 Ca 0.00 0.54 -0.08 0.00 -1.11 0.00 0.00 56.01 55.35 1ujt n LEU 14 Cb 0.49 -0.20 -0.03 0.00 0.53 0.00 0.00 43.42 44.21 1ujt n LEU 14 CO 0.00 -0.20 0.81 1.23 -1.11 0.00 0.00 177.39 178.12 1ujt h GLY 15 N 0.00 0.10 -0.92 -3.96 0.00 -1.89 -2.96 103.07 93.44 1ujt h GLY 15 Ca 0.00 0.09 0.08 0.00 0.00 0.00 0.00 47.33 47.51 1ujt h GLY 15 CO 0.00 -0.10 -0.55 -1.80 0.00 0.00 0.00 176.54 174.10 1ujt h ASP 16 N -0.04 -2.01 -0.80 0.19 1.82 -1.30 -3.42 116.42 110.86 1ujt h ASP 16 Ca 0.10 0.31 -0.53 0.00 -0.39 0.00 0.00 57.03 56.51 1ujt h ASP 16 Cb 0.19 0.89 0.09 0.00 0.68 0.00 0.00 39.33 41.18 1ujt h ASP 16 CO -0.22 -0.22 -0.43 0.52 -1.61 0.00 0.00 179.24 177.29 1ujt n VAL 17 N -5.09 1.57 -3.80 2.25 0.31 0.26 -4.90 118.33 108.92 1ujt n VAL 17 Ca 0.02 -0.40 -0.35 0.00 -0.01 0.00 0.00 64.34 63.60 1ujt n VAL 17 Cb 0.24 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.06 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 2.40 5.05 -0.04 7.52 2.96 -1.26 -4.90 118.68 130.42 1ujt s LEU 18 Ca 0.51 -2.53 -0.16 0.00 -0.22 0.00 0.00 54.13 51.73 1ujt s LEU 18 Cb -0.74 -1.79 -0.05 0.00 0.50 0.00 0.00 46.19 44.11 1ujt s LEU 18 CO 0.45 -0.41 0.42 -0.69 -1.32 0.00 0.00 176.35 174.80 1ujt s VAL 19 N 0.40 5.07 0.01 1.68 1.01 -1.26 -3.05 120.40 124.27 1ujt s VAL 19 Ca 0.13 0.86 0.07 0.00 0.00 0.00 0.00 61.98 63.04 1ujt s VAL 19 Cb -0.22 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 1ujt s VAL 19 CO -0.04 0.50 -0.21 -0.60 0.00 0.00 0.00 175.10 174.76 1ujt s ARG 20 N -0.55 1.54 -0.22 2.72 3.52 -0.71 -4.56 118.95 120.69 1ujt s ARG 20 Ca 0.24 -0.83 -0.03 0.00 -0.13 0.00 0.00 55.73 54.98 1ujt s ARG 20 Cb -0.16 -1.56 0.00 0.00 -1.56 0.00 0.00 34.95 31.67 1ujt s ARG 20 CO 0.12 0.42 -0.07 -1.17 -0.81 0.00 0.00 175.30 173.79 1ujt s LEU 21 N -0.81 2.85 0.46 -0.88 2.96 -1.26 -2.03 118.68 119.97 1ujt s LEU 21 Ca 0.08 -0.55 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 1ujt s LEU 21 Cb -0.08 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 1ujt s LEU 21 CO 0.00 -0.04 0.74 -1.00 -1.32 0.00 0.00 176.35 174.73 1ujt s HIS 22 N 1.41 3.50 -0.10 5.38 3.76 -1.16 -4.84 115.29 123.24 1ujt s HIS 22 Ca 0.04 0.66 -0.39 0.00 -0.15 0.00 0.00 55.06 55.22 1ujt s HIS 22 Cb -0.15 -2.25 -0.17 0.00 1.11 0.00 0.00 32.58 31.12 1ujt s HIS 22 CO -0.05 -0.25 1.45 0.09 -0.85 0.00 0.00 174.74 175.14 1ujt n ASN 23 N -2.18 1.59 -4.56 1.40 3.02 -1.26 -4.65 115.26 108.62 1ujt n ASN 23 Ca -0.00 1.12 -0.27 0.00 -0.03 0.00 0.00 54.58 55.40 1ujt n ASN 23 Cb 0.56 -1.10 -0.05 0.00 -0.61 0.00 0.00 39.78 38.57 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 1.64 2.54 -0.54 3.52 0.04 -1.26 -4.82 135.00 136.11 1ujt s PRO 24 Ca 0.92 -0.51 -0.32 0.00 0.04 0.00 0.00 61.00 61.13 1ujt s PRO 24 Cb -1.09 -5.11 -0.13 0.00 0.04 0.00 0.00 34.50 28.21 1ujt s PRO 24 CO 0.58 -3.53 2.37 0.28 0.04 0.00 0.00 177.00 176.73 1ujt n VAL 25 N 7.86 0.07 -2.28 -0.36 0.31 -1.14 -4.76 118.33 118.03 1ujt n VAL 25 Ca 0.41 -0.32 -0.43 0.00 -0.01 0.00 0.00 64.34 63.99 1ujt n VAL 25 Cb 0.47 -1.62 -0.02 0.00 -0.91 0.00 0.00 33.84 31.76 1ujt n VAL 25 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ujt s VAL 26 N 8.90 3.94 -0.17 2.52 0.11 -1.26 -2.54 120.40 131.90 1ujt s VAL 26 Ca 1.13 1.07 -0.14 0.00 -2.93 0.00 0.00 61.98 61.12 1ujt s VAL 26 Cb -0.81 -3.93 -0.22 0.00 -1.53 0.00 0.00 36.38 29.89 1ujt s VAL 26 CO 0.44 -0.36 0.23 0.18 -3.33 0.00 0.00 175.10 172.26 1ujt n LEU 27 N 7.90 2.26 -4.04 2.54 4.77 -1.23 -4.97 117.00 124.22 1ujt n LEU 27 Ca 0.16 0.30 -0.08 0.00 -0.03 0.00 0.00 56.01 56.37 1ujt n LEU 27 Cb 0.46 -1.03 -0.09 0.00 -2.33 0.00 0.00 43.42 40.43 1ujt n LEU 27 CO 0.63 0.58 -0.28 0.42 -1.33 0.00 0.00 177.39 177.42 1ujt s THR 28 N -2.47 0.18 -1.43 -5.08 -4.23 0.09 -5.01 115.64 97.70 1ujt s THR 28 Ca -0.27 -1.67 0.15 0.00 -1.18 0.00 0.00 61.69 58.72 1ujt s THR 28 Cb 0.07 -1.58 0.26 0.00 1.34 0.00 0.00 72.50 72.59 1ujt s THR 28 CO 0.67 -0.81 1.41 -0.81 -0.54 0.00 0.00 174.62 174.53 1ujt n PRO 29 N 0.03 0.21 0.00 3.99 -0.04 -1.26 -2.42 135.00 135.51 1ujt n PRO 29 Ca -0.13 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1ujt n PRO 29 Cb 0.62 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1ujt n PRO 29 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ujt n THR 30 N -1.29 0.00 -3.84 0.52 -2.24 -1.26 -3.36 114.28 102.81 1ujt n THR 30 Ca 0.07 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.36 1ujt n THR 30 Cb 0.12 0.88 -0.13 0.00 -2.10 0.00 0.00 70.33 69.10 1ujt n THR 30 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ujt s THR 31 N -1.14 0.01 0.02 4.28 2.01 -1.02 -1.77 115.64 118.03 1ujt s THR 31 Ca 0.00 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 61.95 1ujt s THR 31 Cb 0.00 -0.20 -0.01 0.00 0.01 0.00 0.00 72.50 72.29 1ujt s THR 31 CO 0.00 -0.04 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.13 1ujt s VAL 32 N -0.08 0.48 -0.19 3.82 1.01 -0.96 -0.73 120.40 123.76 1ujt s VAL 32 Ca -0.01 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 1ujt s VAL 32 Cb -0.02 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 1ujt s VAL 32 CO 0.00 -0.16 0.29 -1.58 0.00 0.00 0.00 175.10 173.65 1ujt s GLN 33 N -0.92 4.20 -0.17 2.72 -0.44 -1.05 -2.18 119.66 121.82 1ujt s GLN 33 Ca -0.05 0.04 0.00 0.00 -2.50 0.00 0.00 55.36 52.85 1ujt s GLN 33 Cb -0.06 -3.47 0.00 0.00 -1.64 0.00 0.00 33.01 27.84 1ujt s GLN 33 CO 0.00 0.14 -0.16 0.08 0.50 0.00 0.00 175.29 175.85 1ujt s VAL 34 N 0.78 2.54 0.14 1.34 1.01 -0.93 -2.90 120.40 122.39 1ujt s VAL 34 Ca 0.15 -0.80 0.10 0.00 0.00 0.00 0.00 61.98 61.43 1ujt s VAL 34 Cb -0.13 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1ujt s VAL 34 CO 0.05 0.51 -0.24 -0.89 0.00 0.00 0.00 175.10 174.53 1ujt s THR 35 N 1.04 2.10 -0.20 3.92 2.01 -1.26 -1.72 115.64 121.53 1ujt s THR 35 Ca -0.01 -1.77 -0.14 0.00 0.31 0.00 0.00 61.69 60.08 1ujt s THR 35 Cb -0.15 -1.90 0.06 0.00 0.01 0.00 0.00 72.50 70.53 1ujt s THR 35 CO -0.04 -0.02 0.50 -1.66 -0.69 0.00 0.00 174.62 172.71 1ujt s TRP 36 N -1.28 -0.65 -0.06 4.92 -2.14 -1.08 -2.96 118.94 115.69 1ujt s TRP 36 Ca 0.13 1.46 -0.07 0.00 2.66 0.00 0.00 56.10 60.28 1ujt s TRP 36 Cb -0.09 0.29 -0.04 0.00 -3.10 0.00 0.00 33.47 30.52 1ujt s TRP 36 CO 0.06 -0.34 0.21 -0.08 -2.66 0.00 0.00 176.95 174.14 1ujt s THR 37 N 0.88 5.39 -0.17 0.66 -1.32 -0.86 -4.78 115.64 115.44 1ujt s THR 37 Ca -0.05 0.21 0.01 0.00 -1.21 0.00 0.00 61.69 60.65 1ujt s THR 37 Cb -0.05 -3.50 0.02 0.00 -1.51 0.00 0.00 72.50 67.46 1ujt s THR 37 CO -0.07 0.51 -0.17 0.68 -2.21 0.00 0.00 174.62 173.36 1ujt s VAL 38 N -1.15 1.85 0.11 5.08 -7.23 -1.26 -1.74 120.40 116.06 1ujt s VAL 38 Ca 0.21 -0.86 -0.13 0.00 -1.81 0.00 0.00 61.98 59.39 1ujt s VAL 38 Cb -0.13 -1.72 -0.11 0.00 0.56 0.00 0.00 36.38 34.97 1ujt s VAL 38 CO 0.10 0.45 1.37 0.44 -0.31 0.00 0.00 175.10 177.15 1ujt h ASP 39 N 7.98 0.94 -3.50 4.85 5.19 -1.96 -3.38 116.42 126.54 1ujt h ASP 39 Ca -0.40 -0.56 -0.63 0.00 -0.62 0.00 0.00 57.03 54.82 1ujt h ASP 39 Cb 1.13 -0.27 -0.41 0.00 0.18 0.00 0.00 39.33 39.95 1ujt h ASP 39 CO 0.58 1.33 -0.61 -0.13 -3.12 0.00 0.00 179.24 177.28 1ujt s ARG 40 N -4.02 2.21 -0.23 3.56 1.81 -1.26 -4.99 118.95 116.02 1ujt s ARG 40 Ca -0.11 -3.02 -0.30 0.00 -1.72 0.00 0.00 55.73 50.58 1ujt s ARG 40 Cb 0.09 -3.27 -0.07 0.00 -0.45 0.00 0.00 34.95 31.25 1ujt s ARG 40 CO 0.89 -1.23 2.19 0.94 -0.68 0.00 0.00 175.30 177.41 1ujt n GLN 41 N 2.43 1.82 -2.25 3.54 7.27 -1.26 -4.73 117.38 124.19 1ujt n GLN 41 Ca 0.15 0.51 -0.41 0.00 0.07 0.00 0.00 57.00 57.33 1ujt n GLN 41 Cb 0.34 -3.03 -0.03 0.00 2.41 0.00 0.00 30.24 29.93 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 6.15 4.46 -0.19 3.69 0.04 -1.26 -4.98 135.00 142.91 1ujt s PRO 42 Ca 1.02 2.06 -0.19 0.00 0.04 0.00 0.00 61.00 63.93 1ujt s PRO 42 Cb -0.47 -3.12 -0.20 0.00 0.04 0.00 0.00 34.50 30.75 1ujt s PRO 42 CO 0.39 -0.05 0.24 1.04 0.04 0.00 0.00 177.00 178.66 1ujt n GLN 43 N 1.03 0.60 0.07 4.56 3.00 -1.26 -4.14 117.38 121.25 1ujt n GLN 43 Ca -0.00 0.52 0.16 0.00 -0.01 0.00 0.00 57.00 57.67 1ujt n GLN 43 Cb 0.43 -1.74 0.66 0.00 0.00 0.00 0.00 30.24 29.59 1ujt n GLN 43 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1ujt h PHE 44 N -0.81 0.02 -2.53 1.08 -0.00 -1.96 -3.43 116.94 109.31 1ujt h PHE 44 Ca -0.37 0.00 -0.58 0.00 -0.00 0.00 0.00 57.97 57.02 1ujt h PHE 44 Cb 1.44 -0.01 0.19 0.00 -0.00 0.00 0.00 35.95 37.57 1ujt h PHE 44 CO 0.09 0.01 -0.85 1.51 -0.00 0.00 0.00 178.31 179.08 1ujt n ILE 45 N -4.43 1.01 -0.02 0.88 3.06 -1.26 -4.85 119.36 113.75 1ujt n ILE 45 Ca 0.06 -0.48 0.01 0.00 -2.50 0.00 0.00 62.75 59.84 1ujt n ILE 45 Cb 0.44 -0.35 -0.09 0.00 0.54 0.00 0.00 39.64 40.18 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 0.68 1.14 -1.74 9.51 1.13 -1.06 -4.93 117.38 122.11 1ujt n GLN 46 Ca 0.08 -0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 1ujt n GLN 46 Cb 0.49 -1.27 0.00 0.00 0.11 0.00 0.00 30.24 29.57 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 2.06 -0.65 2.67 1.08 0.00 -1.23 -3.95 105.19 105.18 1ujt n GLY 47 Ca -0.08 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 1ujt n GLY 47 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ujt s TYR 48 N -3.44 0.20 -0.58 1.61 2.02 -1.26 -3.92 117.35 111.98 1ujt s TYR 48 Ca 0.00 0.04 -0.20 0.00 -0.37 0.00 0.00 57.07 56.54 1ujt s TYR 48 Cb 0.00 -0.59 0.08 0.00 -0.40 0.00 0.00 41.96 41.05 1ujt s TYR 48 CO 0.00 -0.29 0.76 0.50 -1.57 0.00 0.00 175.55 174.95 1ujt s ARG 49 N 2.13 3.11 -1.00 -0.62 3.52 -1.24 -2.97 118.95 121.87 1ujt s ARG 49 Ca 0.04 -0.99 -0.20 0.00 -0.13 0.00 0.00 55.73 54.46 1ujt s ARG 49 Cb -0.13 -4.19 0.10 0.00 -1.56 0.00 0.00 34.95 29.17 1ujt s ARG 49 CO -0.05 -1.50 1.29 0.08 -0.81 0.00 0.00 175.30 174.31 1ujt s VAL 50 N 3.09 4.44 0.36 7.11 1.01 -1.22 -3.98 120.40 131.21 1ujt s VAL 50 Ca 0.17 -1.40 -0.26 0.00 0.00 0.00 0.00 61.98 60.49 1ujt s VAL 50 Cb -0.20 -4.91 -0.09 0.00 0.00 0.00 0.00 36.38 31.18 1ujt s VAL 50 CO 0.10 -1.69 1.11 -0.04 0.00 0.00 0.00 175.10 174.57 1ujt s MET 51 N 3.47 4.31 0.03 2.72 -1.94 -1.22 -2.38 119.30 124.29 1ujt s MET 51 Ca 0.39 1.72 -0.26 0.00 -1.71 0.00 0.00 55.69 55.83 1ujt s MET 51 Cb -0.03 -2.82 0.06 0.00 2.01 0.00 0.00 34.83 34.06 1ujt s MET 51 CO -0.08 -0.07 0.61 1.52 -0.01 0.00 0.00 175.02 176.99 1ujt s TYR 52 N -1.40 -0.55 0.05 -0.03 1.13 -0.91 -2.82 117.35 112.81 1ujt s TYR 52 Ca 0.53 0.72 -0.27 0.00 -1.41 0.00 0.00 57.07 56.64 1ujt s TYR 52 Cb -0.28 0.42 0.09 0.00 -1.10 0.00 0.00 41.96 41.09 1ujt s TYR 52 CO 0.36 -0.67 0.83 -0.98 -2.51 0.00 0.00 175.55 172.58 1ujt s ARG 53 N -2.19 0.96 0.38 -3.49 1.70 -1.08 -0.77 118.95 114.45 1ujt s ARG 53 Ca -0.06 -0.38 -0.25 0.00 -0.47 0.00 0.00 55.73 54.57 1ujt s ARG 53 Cb -0.01 0.43 -0.09 0.00 -0.57 0.00 0.00 34.95 34.71 1ujt s ARG 53 CO 0.01 -0.42 1.05 -1.14 -1.08 0.00 0.00 175.30 173.71 1ujt s GLN 54 N -3.27 4.25 -0.24 3.89 0.74 -1.25 -2.58 119.66 121.19 1ujt s GLN 54 Ca 0.05 1.53 0.01 0.00 0.05 0.00 0.00 55.36 57.00 1ujt s GLN 54 Cb -0.01 -2.64 -0.16 0.00 1.10 0.00 0.00 33.01 31.30 1ujt s GLN 54 CO -0.09 -0.07 -0.22 0.25 -0.55 0.00 0.00 175.29 174.61 1ujt n THR 55 N 0.13 1.40 -4.33 -0.34 -2.24 -1.23 -1.32 114.28 106.34 1ujt n THR 55 Ca 0.04 -0.52 -0.23 0.00 -2.27 0.00 0.00 64.05 61.07 1ujt n THR 55 Cb 0.49 -1.40 -0.12 0.00 -2.10 0.00 0.00 70.33 67.20 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 -6.44 2.74 0.00 3.42 0.15 -1.26 -4.53 113.70 107.78 1ujt s SER 56 Ca -0.33 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.50 1ujt s SER 56 Cb 0.09 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1ujt s SER 56 CO 0.55 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.61 1ujt n GLY 57 N 0.50 0.30 0.13 9.45 0.00 -1.26 -4.56 105.19 109.76 1ujt n GLY 57 Ca -0.15 -1.81 -0.26 0.00 0.00 0.00 0.00 46.02 43.80 1ujt n GLY 57 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ujt n LEU 58 N 0.00 2.12 -1.39 0.99 -0.00 -1.26 -4.36 117.00 113.10 1ujt n LEU 58 Ca 0.00 0.28 -0.06 0.00 -0.00 0.00 0.00 56.01 56.24 1ujt n LEU 58 Cb 0.00 -0.88 0.03 0.00 -0.00 0.00 0.00 43.42 42.57 1ujt n LEU 58 CO 0.00 0.58 0.81 0.00 -0.00 0.00 0.00 177.39 178.77 1ujt n GLN 59 N -4.11 1.28 -3.19 1.96 1.13 -1.26 -4.80 117.38 108.39 1ujt n GLN 59 Ca -0.47 -0.62 -0.39 0.00 -1.94 0.00 0.00 57.00 53.57 1ujt n GLN 59 Cb 0.87 -1.24 -0.06 0.00 0.11 0.00 0.00 30.24 29.91 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 -0.70 3.52 -0.03 -1.58 0.00 -1.26 -3.81 121.76 117.90 1ujt s ALA 60 Ca 0.12 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1ujt s ALA 60 Cb 0.10 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.48 1ujt s ALA 60 CO 0.01 0.29 0.00 -2.37 0.00 0.00 0.00 175.76 173.69 1ujt n THR 61 N 2.10 -0.01 -0.09 0.00 5.66 -0.44 -4.74 114.28 116.77 1ujt n THR 61 Ca -0.08 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.78 1ujt n THR 61 Cb 0.50 -0.04 -0.08 0.00 -1.55 0.00 0.00 70.33 69.16 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 -2.87 1.09 0.87 -1.84 -3.48 113.55 107.32 1ujt h SER 62 Ca -0.01 -0.39 -0.09 0.00 -1.23 0.00 0.00 61.79 60.07 1ujt h SER 62 Cb 0.79 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 62.49 1ujt h SER 62 CO 0.01 1.13 -0.31 -0.94 -0.53 0.00 0.00 176.83 176.19 1ujt s SER 63 N -6.34 -0.44 0.36 6.23 1.04 -1.26 -5.15 113.70 108.13 1ujt s SER 63 Ca -0.21 0.99 -0.26 0.00 0.48 0.00 0.00 55.95 56.95 1ujt s SER 63 Cb 0.03 1.10 -0.09 0.00 0.10 0.00 0.00 66.02 67.15 1ujt s SER 63 CO 0.45 -0.21 1.04 0.26 0.98 0.00 0.00 173.24 175.76 1ujt s TRP 64 N 1.98 3.42 0.51 5.02 0.52 -1.26 -4.80 118.94 124.33 1ujt s TRP 64 Ca -0.06 1.68 0.04 0.00 0.02 0.00 0.00 56.10 57.78 1ujt s TRP 64 Cb -0.10 -3.13 0.00 0.00 -1.15 0.00 0.00 33.47 29.09 1ujt s TRP 64 CO -0.13 -0.46 0.20 -0.65 0.02 0.00 0.00 176.95 175.92 1ujt s GLN 65 N -2.15 2.22 -0.27 4.98 -0.21 0.05 -4.97 119.66 119.31 1ujt s GLN 65 Ca 0.53 -2.16 -0.25 0.00 0.02 0.00 0.00 55.36 53.50 1ujt s GLN 65 Cb -0.24 -1.83 0.07 0.00 1.00 0.00 0.00 33.01 32.01 1ujt s GLN 65 CO 0.30 -0.44 0.73 0.54 -2.12 0.00 0.00 175.29 174.31 1ujt s ASN 66 N -4.05 -0.74 -0.44 5.90 2.20 -1.26 -2.14 114.94 114.41 1ujt s ASN 66 Ca 0.23 1.43 0.00 0.00 -0.94 0.00 0.00 52.86 53.57 1ujt s ASN 66 Cb 0.00 1.44 0.12 0.00 -2.00 0.00 0.00 41.25 40.82 1ujt s ASN 66 CO 0.13 -0.25 0.21 -0.22 -2.94 0.00 0.00 177.10 174.03 1ujt s LEU 67 N 0.38 4.98 -0.54 3.54 2.96 -1.00 -4.94 118.68 124.06 1ujt s LEU 67 Ca 0.00 -2.34 -0.26 0.00 -0.22 0.00 0.00 54.13 51.31 1ujt s LEU 67 Cb -0.05 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 1ujt s LEU 67 CO 0.01 -0.42 2.19 1.51 -1.32 0.00 0.00 176.35 178.31 1ujt s ASP 68 N 1.08 4.76 0.47 3.68 1.47 -1.26 -3.44 116.67 123.42 1ujt s ASP 68 Ca 0.12 0.78 0.14 0.00 1.18 0.00 0.00 52.55 54.76 1ujt s ASP 68 Cb -0.22 -2.51 1.10 0.00 -0.34 0.00 0.00 42.92 40.95 1ujt s ASP 68 CO -0.05 -2.69 2.06 0.00 0.68 0.00 0.00 175.17 175.17 1ujt h ALA 69 N 17.74 1.99 -1.66 2.11 0.00 -1.95 -3.46 119.26 134.03 1ujt h ALA 69 Ca -0.25 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.30 1ujt h ALA 69 Cb 1.22 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 1ujt h ALA 69 CO 1.18 -0.05 -0.39 1.63 0.00 0.00 0.00 179.25 181.63 1ujt n LYS 70 N -4.48 -1.30 -3.33 0.00 4.76 -1.26 -4.96 118.16 107.59 1ujt n LYS 70 Ca 0.04 0.98 -0.10 0.00 -2.87 0.00 0.00 58.31 56.36 1ujt n LYS 70 Cb 0.23 -5.33 -0.07 0.00 -1.84 0.00 0.00 35.03 28.01 1ujt n LYS 70 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ujt s VAL 71 N -2.76 -0.60 -0.25 -0.18 1.01 -1.26 -5.01 120.40 111.35 1ujt s VAL 71 Ca 0.00 -0.19 0.28 0.00 0.00 0.00 0.00 61.98 62.06 1ujt s VAL 71 Cb 0.00 -0.90 0.30 0.00 0.00 0.00 0.00 36.38 35.78 1ujt s VAL 71 CO 0.00 -0.21 1.82 1.55 0.00 0.00 0.00 175.10 178.26 1ujt h PRO 72 N 8.18 0.00 0.00 2.72 0.13 -1.87 -2.44 132.00 138.72 1ujt h PRO 72 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1ujt h PRO 72 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1ujt h PRO 72 CO 0.27 0.00 -0.63 0.25 -0.23 0.00 0.00 178.00 177.66 1ujt n THR 73 N -2.56 0.29 -3.54 1.56 -2.24 -1.26 -4.88 114.28 101.64 1ujt n THR 73 Ca 0.01 -0.23 -0.33 0.00 -2.27 0.00 0.00 64.05 61.24 1ujt n THR 73 Cb 0.25 -0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.38 1ujt n THR 73 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ujt s GLU 74 N -3.14 3.74 0.00 -0.78 0.41 -0.92 -4.99 118.70 113.02 1ujt s GLU 74 Ca 0.07 0.14 0.00 0.00 -0.41 0.00 0.00 54.97 54.77 1ujt s GLU 74 Cb 0.14 -2.82 0.00 0.00 -1.78 0.00 0.00 34.13 29.67 1ujt s GLU 74 CO 0.72 0.44 0.35 2.89 -0.49 0.00 0.00 175.26 179.17 1ujt n ARG 75 N 0.25 -0.20 -4.78 1.61 0.00 -1.26 -4.89 116.66 107.39 1ujt n ARG 75 Ca -0.03 -0.39 -0.30 0.00 -0.00 0.00 0.00 57.85 57.14 1ujt n ARG 75 Cb 0.52 -0.77 -0.14 0.00 -0.00 0.00 0.00 32.46 32.07 1ujt n ARG 75 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1ujt s SER 76 N -0.08 3.19 0.22 2.89 0.15 -1.26 -2.64 113.70 116.17 1ujt s SER 76 Ca 0.00 -0.63 -0.03 0.00 0.70 0.00 0.00 55.95 55.99 1ujt s SER 76 Cb 0.00 -0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 64.01 1ujt s SER 76 CO 0.00 0.24 0.22 0.00 1.20 0.00 0.00 173.24 174.90 1ujt s ALA 77 N -0.87 0.94 -0.23 5.45 0.00 -0.70 -5.02 121.76 121.33 1ujt s ALA 77 Ca 0.12 -1.57 -0.03 0.00 0.00 0.00 0.00 51.96 50.49 1ujt s ALA 77 Cb -0.10 1.33 0.07 0.00 0.00 0.00 0.00 23.12 24.42 1ujt s ALA 77 CO 0.03 -0.65 0.06 0.08 0.00 0.00 0.00 175.76 175.28 1ujt s VAL 78 N -4.04 0.52 -0.43 0.00 1.01 -1.26 -2.19 120.40 114.02 1ujt s VAL 78 Ca 0.36 -0.78 -0.26 0.00 0.00 0.00 0.00 61.98 61.30 1ujt s VAL 78 Cb 0.05 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.28 1ujt s VAL 78 CO 0.13 -0.39 0.97 -0.76 0.00 0.00 0.00 175.10 175.05 1ujt s LEU 79 N 1.84 3.93 0.53 3.92 1.43 -0.93 -4.93 118.68 124.47 1ujt s LEU 79 Ca 0.03 0.38 0.08 0.00 -1.03 0.00 0.00 54.13 53.59 1ujt s LEU 79 Cb -0.17 -3.29 0.05 0.00 0.03 0.00 0.00 46.19 42.81 1ujt s LEU 79 CO -0.16 -1.01 0.65 0.68 0.23 0.00 0.00 176.35 176.74 1ujt s VAL 80 N 3.78 2.27 -1.25 -1.59 -7.23 -1.26 -2.26 120.40 112.86 1ujt s VAL 80 Ca 0.40 -1.11 -0.01 0.00 -1.81 0.00 0.00 61.98 59.44 1ujt s VAL 80 Cb -0.10 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.45 1ujt s VAL 80 CO 0.24 0.00 0.95 0.59 -0.31 0.00 0.00 175.10 176.57 1ujt n ASN 81 N -2.03 -2.39 -4.86 4.85 3.02 -0.96 -4.95 115.26 107.94 1ujt n ASN 81 Ca 0.10 -0.66 -0.23 0.00 -0.03 0.00 0.00 54.58 53.76 1ujt n ASN 81 Cb 0.62 -4.83 -0.04 0.00 -0.61 0.00 0.00 39.78 34.92 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 -6.57 3.96 0.45 3.41 1.43 -0.73 -5.06 118.68 115.57 1ujt s LEU 82 Ca 0.09 -0.14 -0.20 0.00 -1.03 0.00 0.00 54.13 52.85 1ujt s LEU 82 Cb -0.04 -2.50 -0.10 0.00 0.03 0.00 0.00 46.19 43.58 1ujt s LEU 82 CO 0.75 -0.02 0.97 -0.54 0.23 0.00 0.00 176.35 177.74 1ujt s LYS 83 N -3.73 4.09 -0.11 1.70 -0.14 -1.26 -4.37 119.74 115.92 1ujt s LYS 83 Ca 0.33 1.16 -0.10 0.00 -1.36 0.00 0.00 55.97 55.99 1ujt s LYS 83 Cb -0.09 -2.15 -0.05 0.00 -1.68 0.00 0.00 37.83 33.86 1ujt s LYS 83 CO 0.26 -0.15 0.22 0.15 -0.76 0.00 0.00 175.35 175.06 1ujt s LYS 84 N -3.29 3.79 -0.45 1.68 1.02 -1.21 -4.45 119.74 116.82 1ujt s LYS 84 Ca 0.63 0.00 -0.00 0.00 0.02 0.00 0.00 55.97 56.62 1ujt s LYS 84 Cb -0.11 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 33.93 1ujt s LYS 84 CO 0.17 0.60 0.37 0.41 -0.92 0.00 0.00 175.35 175.98 1ujt n GLY 85 N 2.43 0.15 3.52 -3.33 0.00 0.14 -4.93 105.19 103.17 1ujt n GLY 85 Ca -0.17 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.13 0.00 0.65 1.61 0.11 -1.10 -4.96 120.40 113.57 1ujt s VAL 86 Ca 0.01 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.97 1ujt s VAL 86 Cb -0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.85 1ujt s VAL 86 CO 0.27 0.00 1.00 -0.89 -3.33 0.00 0.00 175.10 172.16 1ujt s THR 87 N -1.75 3.70 -0.17 5.04 2.01 -1.26 -1.41 115.64 121.79 1ujt s THR 87 Ca -0.05 0.31 -0.10 0.00 0.31 0.00 0.00 61.69 62.16 1ujt s THR 87 Cb -0.00 -3.51 0.06 0.00 0.01 0.00 0.00 72.50 69.05 1ujt s THR 87 CO 0.02 -0.61 0.41 -0.31 -0.69 0.00 0.00 174.62 173.44 1ujt s TYR 88 N -3.18 -0.59 -0.16 4.92 2.02 -0.07 -3.50 117.35 116.80 1ujt s TYR 88 Ca 0.56 1.28 -0.11 0.00 -0.37 0.00 0.00 57.07 58.43 1ujt s TYR 88 Cb -0.11 0.26 -0.05 0.00 -0.40 0.00 0.00 41.96 41.66 1ujt s TYR 88 CO 0.49 -0.33 0.21 -2.00 -1.57 0.00 0.00 175.55 172.35 1ujt s GLU 89 N 1.30 4.05 -0.03 -0.62 2.12 -1.07 -0.30 118.70 124.16 1ujt s GLU 89 Ca -0.09 -0.05 -0.06 0.00 0.36 0.00 0.00 54.97 55.14 1ujt s GLU 89 Cb -0.08 -3.37 0.01 0.00 0.26 0.00 0.00 34.13 30.95 1ujt s GLU 89 CO -0.12 0.40 0.14 0.42 -0.54 0.00 0.00 175.26 175.56 1ujt s ILE 90 N 0.04 0.03 -0.04 -3.70 1.09 -0.80 -2.64 121.20 115.19 1ujt s ILE 90 Ca 0.13 -0.28 -0.05 0.00 -1.10 0.00 0.00 60.65 59.35 1ujt s ILE 90 Cb -0.12 -0.29 0.01 0.00 -1.06 0.00 0.00 42.46 41.00 1ujt s ILE 90 CO 0.02 -0.15 0.13 -1.59 -0.10 0.00 0.00 174.94 173.25 1ujt s LYS 91 N -0.49 0.22 -0.16 2.79 0.00 -1.13 -1.78 119.74 119.19 1ujt s LYS 91 Ca -0.06 0.07 -0.14 0.00 0.00 0.00 0.00 55.97 55.84 1ujt s LYS 91 Cb -0.04 0.10 -0.05 0.00 0.00 0.00 0.00 37.83 37.85 1ujt s LYS 91 CO 0.01 -0.04 0.29 0.08 0.00 0.00 0.00 175.35 175.69 1ujt s VAL 92 N -0.22 5.31 -0.07 1.79 1.01 -1.26 -3.41 120.40 123.54 1ujt s VAL 92 Ca -0.03 0.54 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 1ujt s VAL 92 Cb -0.02 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.75 1ujt s VAL 92 CO 0.00 0.38 0.00 0.00 0.00 0.00 0.00 175.10 175.49 1ujt s ARG 93 N 0.51 0.60 -0.40 2.72 1.70 -1.26 -0.87 118.95 121.96 1ujt s ARG 93 Ca 0.16 0.11 -0.28 0.00 -0.47 0.00 0.00 55.73 55.25 1ujt s ARG 93 Cb -0.13 -0.96 -0.01 0.00 -0.57 0.00 0.00 34.95 33.28 1ujt s ARG 93 CO 0.04 -0.30 1.73 -1.25 -1.08 0.00 0.00 175.30 174.44 1ujt s PRO 94 N 1.96 3.24 0.09 3.89 0.04 -1.26 -3.73 135.00 139.23 1ujt s PRO 94 Ca 0.05 1.16 0.06 0.00 0.04 0.00 0.00 61.00 62.31 1ujt s PRO 94 Cb -0.12 -4.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.18 1ujt s PRO 94 CO -0.05 -1.97 -0.08 1.52 0.04 0.00 0.00 177.00 176.45 1ujt s TYR 95 N 7.02 2.79 -0.04 0.56 -0.85 -1.25 -0.36 117.35 125.22 1ujt s TYR 95 Ca 0.73 -0.13 -0.08 0.00 -0.52 0.00 0.00 57.07 57.08 1ujt s TYR 95 Cb -0.19 -1.47 -0.03 0.00 0.38 0.00 0.00 41.96 40.66 1ujt s TYR 95 CO 0.31 0.43 -0.15 0.34 -1.52 0.00 0.00 175.55 174.96 1ujt n PHE 96 N 0.76 0.00 0.02 -3.49 7.35 -1.24 -2.57 117.46 118.29 1ujt n PHE 96 Ca -0.13 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.56 1ujt n PHE 96 Cb 0.52 -0.21 0.00 0.00 0.35 0.00 0.00 39.48 40.14 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 -3.69 0.32 0.00 -2.13 4.13 -1.26 -4.05 115.26 108.59 1ujt n ASN 97 Ca -0.06 0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.25 1ujt n ASN 97 Cb 0.22 -0.09 0.00 0.00 -1.54 0.00 0.00 39.78 38.37 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 -2.81 0.82 -1.38 3.52 0.28 -1.26 -5.08 120.64 114.73 1ujt n GLU 98 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.69 1ujt n GLU 98 Cb 0.00 -0.81 0.08 0.00 1.43 0.00 0.00 31.44 32.14 1ujt n GLU 98 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 1ujt s PHE 99 N -1.62 2.76 -0.08 -1.84 -0.71 -1.26 -5.06 117.98 110.16 1ujt s PHE 99 Ca 0.00 1.46 0.01 0.00 -1.04 0.00 0.00 56.93 57.36 1ujt s PHE 99 Cb 0.00 -3.00 0.02 0.00 -1.21 0.00 0.00 43.02 38.83 1ujt s PHE 99 CO 0.00 -1.65 -0.09 1.14 -1.34 0.00 0.00 175.22 173.28 1ujt s GLN 100 N -4.97 1.48 1.26 1.99 0.00 -1.26 -3.63 119.66 114.52 1ujt s GLN 100 Ca 0.60 -0.29 -0.17 0.00 -0.00 0.00 0.00 55.36 55.50 1ujt s GLN 100 Cb -0.16 -1.39 0.31 0.00 0.00 0.00 0.00 33.01 31.77 1ujt s GLN 100 CO 0.56 -0.12 1.00 0.20 0.00 0.00 0.00 175.29 176.93 1ujt s GLY 101 N 1.18 1.50 -0.37 2.60 0.00 0.52 -4.78 107.32 107.97 1ujt s GLY 101 Ca -0.05 -0.50 -0.38 0.00 0.00 0.00 0.00 44.72 43.78 1ujt s GLY 101 CO -0.02 0.34 2.08 1.15 0.00 0.00 0.00 173.10 176.65 1ujt n MET 102 N -5.14 0.85 -1.86 2.90 0.00 -1.26 -4.49 117.12 108.13 1ujt n MET 102 Ca 0.07 0.26 -0.42 0.00 0.00 0.00 0.00 57.70 57.61 1ujt n MET 102 Cb 0.57 -2.17 -0.03 0.00 0.00 0.00 0.00 33.22 31.59 1ujt n MET 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1ujt s ASP 103 N 6.18 6.54 1.18 3.17 1.11 -1.26 -4.69 116.67 128.91 1ujt s ASP 103 Ca 1.09 2.58 -0.14 0.00 0.18 0.00 0.00 52.55 56.26 1ujt s ASP 103 Cb -1.05 -2.56 0.28 0.00 1.07 0.00 0.00 42.92 40.66 1ujt s ASP 103 CO 0.57 -0.93 1.03 -0.94 1.18 0.00 0.00 175.17 176.08 1ujt s SER 104 N 2.51 0.91 0.16 0.27 1.04 -0.05 -4.88 113.70 113.67 1ujt s SER 104 Ca 0.76 1.31 -0.33 0.00 0.48 0.00 0.00 55.95 58.17 1ujt s SER 104 Cb -0.42 -2.03 -0.13 0.00 0.10 0.00 0.00 66.02 63.54 1ujt s SER 104 CO 0.34 -4.21 1.65 -0.62 0.98 0.00 0.00 173.24 171.38 1ujt n GLU 105 N -4.91 2.37 -2.64 4.02 -0.58 -1.26 -4.56 120.64 113.08 1ujt n GLU 105 Ca 0.04 0.86 -0.43 0.00 -0.42 0.00 0.00 57.16 57.21 1ujt n GLU 105 Cb 0.56 -2.66 -0.02 0.00 -0.57 0.00 0.00 31.44 28.75 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 1.28 6.98 0.02 1.62 1.04 -1.26 -4.51 113.70 118.87 1ujt s SER 106 Ca 0.79 1.16 -0.01 0.00 0.48 0.00 0.00 55.95 58.37 1ujt s SER 106 Cb -0.62 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 62.92 1ujt s SER 106 CO 0.37 -0.82 0.15 -0.54 0.98 0.00 0.00 173.24 173.38 1ujt s LYS 107 N 3.52 3.26 -0.16 4.02 -0.14 -0.74 -4.88 119.74 124.63 1ujt s LYS 107 Ca 0.45 -0.44 -0.05 0.00 -1.36 0.00 0.00 55.97 54.57 1ujt s LYS 107 Cb -0.13 -2.97 -0.04 0.00 -1.68 0.00 0.00 37.83 33.01 1ujt s LYS 107 CO 0.13 0.64 0.02 0.95 -0.76 0.00 0.00 175.35 176.33 1ujt s THR 108 N -1.34 4.46 -0.21 2.17 -4.23 -1.26 -1.90 115.64 113.33 1ujt s THR 108 Ca 0.28 -0.16 -0.03 0.00 -1.18 0.00 0.00 61.69 60.60 1ujt s THR 108 Cb -0.12 -2.97 -0.01 0.00 1.34 0.00 0.00 72.50 70.74 1ujt s THR 108 CO 0.20 0.50 -0.05 0.54 -0.54 0.00 0.00 174.62 175.27 1ujt s VAL 109 N 0.11 3.33 -0.52 2.29 0.11 0.60 -4.78 120.40 121.53 1ujt s VAL 109 Ca 0.03 -0.51 -0.19 0.00 -2.93 0.00 0.00 61.98 58.38 1ujt s VAL 109 Cb -0.13 -2.50 0.07 0.00 -1.53 0.00 0.00 36.38 32.28 1ujt s VAL 109 CO 0.01 0.44 0.64 -0.60 -3.33 0.00 0.00 175.10 172.26 1ujt s ARG 110 N 1.35 3.11 -0.52 1.54 3.52 -1.26 -0.89 118.95 125.80 1ujt s ARG 110 Ca 0.04 -0.97 -0.28 0.00 -0.13 0.00 0.00 55.73 54.40 1ujt s ARG 110 Cb -0.14 -4.13 0.01 0.00 -1.56 0.00 0.00 34.95 29.13 1ujt s ARG 110 CO -0.03 -1.28 1.49 0.95 -0.81 0.00 0.00 175.30 175.63 1ujt s THR 111 N 2.64 3.74 1.03 4.11 -4.23 -0.50 -4.92 115.64 117.50 1ujt s THR 111 Ca 0.14 0.66 -0.22 0.00 -1.18 0.00 0.00 61.69 61.09 1ujt s THR 111 Cb -0.20 -4.27 -0.09 0.00 1.34 0.00 0.00 72.50 69.28 1ujt s THR 111 CO 0.11 -0.99 -0.82 1.07 -0.54 0.00 0.00 174.62 173.44 1ujt n THR 112 N 6.99 0.00 -0.05 3.99 5.66 -1.26 0.27 114.28 129.87 1ujt n THR 112 Ca 0.15 -0.19 -0.20 0.00 -3.05 0.00 0.00 64.05 60.75 1ujt n THR 112 Cb 0.49 -0.22 -0.13 0.00 -1.55 0.00 0.00 70.33 68.92 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 0.91 0.71 -3.73 1.09 1.02 -1.26 -1.99 120.64 117.40 1ujt n GLU 113 Ca -0.00 0.23 -0.22 0.00 -0.02 0.00 0.00 57.16 57.14 1ujt n GLU 113 Cb 0.66 -1.64 0.03 0.00 -0.02 0.00 0.00 31.44 30.47 1ujt n GLU 113 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ujt n GLU 114 N -3.43 -4.68 -3.84 3.49 -0.58 -1.26 -4.81 120.64 105.53 1ujt n GLU 114 Ca -0.38 0.60 -0.12 0.00 -0.42 0.00 0.00 57.16 56.84 1ujt n GLU 114 Cb 1.02 -5.10 -0.14 0.00 -0.57 0.00 0.00 31.44 26.65 1ujt n GLU 114 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1ujt s SER 115 N -4.36 -0.06 0.00 1.62 0.15 -1.26 -5.11 113.70 104.68 1ujt s SER 115 Ca 0.01 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.79 1ujt s SER 115 Cb -0.00 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1ujt s SER 115 CO 0.82 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.84 1ujt n GLY 116 N 3.15 1.42 0.26 9.45 0.00 -1.26 -4.77 105.19 113.44 1ujt n GLY 116 Ca -0.13 -1.68 0.15 0.00 0.00 0.00 0.00 46.02 44.36 1ujt n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujt h PRO 117 N 0.00 0.00 -6.37 1.61 0.13 -2.07 -3.43 132.00 121.87 1ujt h PRO 117 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 1ujt h PRO 117 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1ujt h PRO 117 CO 0.00 0.07 0.76 -1.54 -0.23 0.00 0.00 178.00 177.06 1ujt s SER 118 N -5.85 6.94 -0.22 1.44 1.04 -1.26 -5.01 113.70 110.79 1ujt s SER 118 Ca 0.00 2.01 -0.13 0.00 0.48 0.00 0.00 55.95 58.32 1ujt s SER 118 Cb 0.10 -2.56 0.07 0.00 0.10 0.00 0.00 66.02 63.72 1ujt s SER 118 CO 0.57 -0.65 0.54 -0.94 0.98 0.00 0.00 173.24 173.74 1ujt s SER 119 N 1.63 -0.70 0.00 7.02 1.04 -1.26 -4.96 113.70 116.47 1ujt s SER 119 Ca 0.61 1.17 0.32 0.00 0.48 0.00 0.00 55.95 58.52 1ujt s SER 119 Cb -0.29 1.05 1.84 0.00 0.10 0.00 0.00 66.02 68.72 1ujt s SER 119 CO 0.25 -0.21 2.19 0.61 0.98 0.00 0.00 173.24 177.06