#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2trh n PRO 2 N 0.00 1.34 -3.06 1.61 -0.02 -1.26 -4.87 135.00 128.74 2trh n PRO 2 Ca 0.00 0.49 -0.39 0.00 -2.02 0.00 0.00 63.50 61.57 2trh n PRO 2 Cb 0.00 -2.11 -0.06 0.00 -0.02 0.00 0.00 33.50 31.31 2trh n PRO 2 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2trh s THR 3 N -1.32 4.47 0.00 3.45 2.01 -1.26 -4.49 115.64 118.50 2trh s THR 3 Ca 0.65 1.57 0.00 0.00 0.31 0.00 0.00 61.69 64.22 2trh s THR 3 Cb -0.52 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 67.91 2trh s THR 3 CO 0.55 0.53 0.00 0.61 -0.69 0.00 0.00 174.62 175.62 2trh n GLY 4 N 1.64 0.57 0.29 4.40 0.00 -1.26 -4.60 105.19 106.23 2trh n GLY 4 Ca -0.07 0.66 -0.01 0.00 0.00 0.00 0.00 46.02 46.60 2trh n GLY 4 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2trh n THR 5 N 0.00 0.00 0.00 2.61 5.66 -1.26 -4.35 114.28 116.94 2trh n THR 5 Ca 0.00 -0.15 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 2trh n THR 5 Cb 0.00 -0.93 0.00 0.00 -1.55 0.00 0.00 70.33 67.85 2trh n THR 5 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2trh n GLY 6 N 4.47 0.68 2.70 1.09 0.00 -1.26 -4.63 105.19 108.24 2trh n GLY 6 Ca 0.01 -1.33 -0.06 0.00 0.00 0.00 0.00 46.02 44.64 2trh n GLY 6 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2trh n GLU 7 N 0.00 0.44 -0.13 1.61 0.00 -1.10 -2.67 120.64 118.78 2trh n GLU 7 Ca 0.00 -1.15 0.26 0.00 0.00 0.00 0.00 57.16 56.27 2trh n GLU 7 Cb 0.00 -0.63 0.51 0.00 0.00 0.00 0.00 31.44 31.32 2trh n GLU 7 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 2trh h SER 8 N 3.06 0.00 0.00 -1.84 0.02 -1.79 -2.81 113.55 110.19 2trh h SER 8 Ca -0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2trh h SER 8 Cb 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2trh h SER 8 CO 0.03 0.00 0.00 2.29 -1.14 0.00 0.00 176.83 178.01 2trh n LYS 9 N -3.34 0.00 -2.63 3.45 2.85 -1.26 -4.23 118.16 113.00 2trh n LYS 9 Ca 0.19 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.43 2trh n LYS 9 Cb 1.29 -0.07 0.01 0.00 -0.65 0.00 0.00 35.03 35.61 2trh n LYS 9 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2trh n ARG 10 N 0.00 -1.06 0.15 -1.58 1.74 -1.06 -4.97 116.66 109.88 2trh n ARG 10 Ca 0.00 1.10 0.13 0.00 -0.77 0.00 0.00 57.85 58.31 2trh n ARG 10 Cb 0.24 -4.54 0.44 0.00 -1.02 0.00 0.00 32.46 27.58 2trh n ARG 10 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2trh h PRO 11 N 0.12 0.00 -3.12 5.56 0.13 -1.88 -3.44 132.00 129.37 2trh h PRO 11 Ca -0.08 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.81 2trh h PRO 11 Cb 1.04 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.85 2trh h PRO 11 CO 0.23 0.00 -0.57 -1.17 -0.23 0.00 0.00 178.00 176.26 2trh s LEU 12 N -4.99 0.37 -0.02 1.56 2.96 -1.25 0.58 118.68 117.89 2trh s LEU 12 Ca 0.07 0.40 0.03 0.00 -0.22 0.00 0.00 54.13 54.40 2trh s LEU 12 Cb 0.10 0.48 -0.00 0.00 0.50 0.00 0.00 46.19 47.27 2trh s LEU 12 CO 0.53 -0.18 -0.10 -0.32 -1.32 0.00 0.00 176.35 174.96 2trh s MET 13 N 1.55 1.04 -0.12 1.98 -2.45 0.48 -4.22 119.30 117.56 2trh s MET 13 Ca -0.06 -0.36 -0.00 0.00 -1.25 0.00 0.00 55.69 54.02 2trh s MET 13 Cb -0.11 -0.96 -0.02 0.00 1.25 0.00 0.00 34.83 34.98 2trh s MET 13 CO -0.07 0.16 -0.10 0.08 1.05 0.00 0.00 175.02 176.14 2trh s VAL 14 N 0.07 3.37 -0.18 10.11 1.01 -0.10 -0.27 120.40 134.42 2trh s VAL 14 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2trh s VAL 14 Cb -0.08 -2.41 0.04 0.00 0.00 0.00 0.00 36.38 33.93 2trh s VAL 14 CO 0.00 0.54 -0.08 -0.75 0.00 0.00 0.00 175.10 174.81 2trh s LYS 15 N 0.02 1.74 -0.11 2.72 2.20 -0.26 0.01 119.74 126.07 2trh s LYS 15 Ca -0.02 -0.64 -0.02 0.00 -0.36 0.00 0.00 55.97 54.93 2trh s LYS 15 Cb -0.14 -2.16 -0.03 0.00 -1.51 0.00 0.00 37.83 33.99 2trh s LYS 15 CO 0.04 -0.41 -0.03 0.08 -0.36 0.00 0.00 175.35 174.67 2trh s VAL 16 N 1.53 3.99 0.11 4.02 1.01 0.92 -1.78 120.40 130.20 2trh s VAL 16 Ca 0.00 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.71 2trh s VAL 16 Cb -0.15 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 2trh s VAL 16 CO -0.08 0.56 -0.19 -0.76 0.00 0.00 0.00 175.10 174.63 2trh s LEU 17 N -0.39 2.32 -0.27 3.92 1.43 0.06 -1.75 118.68 124.00 2trh s LEU 17 Ca 0.07 -0.71 -0.08 0.00 -1.03 0.00 0.00 54.13 52.38 2trh s LEU 17 Cb -0.12 -0.82 -0.02 0.00 0.03 0.00 0.00 46.19 45.26 2trh s LEU 17 CO 0.02 0.02 0.09 -0.62 0.23 0.00 0.00 176.35 176.09 2trh s ASP 18 N -2.03 5.20 0.00 2.29 -1.08 -0.01 -1.08 116.67 119.95 2trh s ASP 18 Ca 0.07 -0.34 0.26 0.00 -0.52 0.00 0.00 52.55 52.02 2trh s ASP 18 Cb -0.09 -1.93 0.74 0.00 -1.46 0.00 0.00 42.92 40.18 2trh s ASP 18 CO 0.04 -0.09 1.55 0.00 0.52 0.00 0.00 175.17 177.20 2trh n ALA 19 N 4.93 3.08 -0.01 3.66 0.00 -0.21 -2.19 120.51 129.76 2trh n ALA 19 Ca -0.15 -0.41 -0.14 0.00 0.00 0.00 0.00 53.44 52.73 2trh n ALA 19 Cb 0.50 -1.12 -0.14 0.00 0.00 0.00 0.00 19.45 18.69 2trh n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2trh n VAL 20 N -0.60 1.69 0.72 0.00 0.31 -1.26 -4.36 118.33 114.83 2trh n VAL 20 Ca 0.12 -0.73 0.08 0.00 -0.01 0.00 0.00 64.34 63.80 2trh n VAL 20 Cb 0.35 -1.35 -0.10 0.00 -0.91 0.00 0.00 33.84 31.84 2trh n VAL 20 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2trh n ARG 21 N -3.24 1.49 -2.81 5.55 1.74 -1.26 -4.99 116.66 113.14 2trh n ARG 21 Ca -0.24 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.68 2trh n ARG 21 Cb 1.05 -1.28 0.03 0.00 -1.02 0.00 0.00 32.46 31.23 2trh n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2trh n GLY 22 N 1.40 -0.06 3.34 -0.13 0.00 -0.93 -5.02 105.19 103.79 2trh n GLY 22 Ca 0.03 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 2trh n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2trh s SER 23 N -2.88 1.68 0.41 1.61 1.04 -1.11 -5.00 113.70 109.44 2trh s SER 23 Ca 0.22 -1.30 -0.24 0.00 0.48 0.00 0.00 55.95 55.11 2trh s SER 23 Cb -0.10 0.05 -0.09 0.00 0.10 0.00 0.00 66.02 65.99 2trh s SER 23 CO 0.27 -0.61 1.09 -2.16 0.98 0.00 0.00 173.24 172.82 2trh s PRO 24 N -3.93 4.06 -0.53 4.02 0.04 -1.26 -0.83 135.00 136.57 2trh s PRO 24 Ca 0.33 1.61 -0.25 0.00 0.04 0.00 0.00 61.00 62.73 2trh s PRO 24 Cb 0.07 -2.53 0.04 0.00 0.04 0.00 0.00 34.50 32.12 2trh s PRO 24 CO 0.11 -0.25 0.95 0.00 0.04 0.00 0.00 177.00 177.85 2trh s ALA 25 N -1.61 3.17 0.19 8.56 0.00 -0.72 -4.66 121.76 126.70 2trh s ALA 25 Ca 0.59 -1.11 -0.14 0.00 0.00 0.00 0.00 51.96 51.31 2trh s ALA 25 Cb -0.24 -3.72 -0.07 0.00 0.00 0.00 0.00 23.12 19.08 2trh s ALA 25 CO 0.30 -2.31 0.59 0.42 0.00 0.00 0.00 175.76 174.76 2trh s ILE 26 N 3.94 4.83 -1.34 0.00 1.01 -1.26 -4.35 121.20 124.03 2trh s ILE 26 Ca 0.33 0.81 -0.09 0.00 0.00 0.00 0.00 60.65 61.70 2trh s ILE 26 Cb -0.12 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.65 2trh s ILE 26 CO 0.21 0.13 1.13 -3.20 0.00 0.00 0.00 174.94 173.21 2trh n ASN 27 N 0.47 -6.29 -4.83 3.58 2.85 -0.70 -4.92 115.26 105.42 2trh n ASN 27 Ca -0.03 -0.51 -0.38 0.00 -0.11 0.00 0.00 54.58 53.55 2trh n ASN 27 Cb 0.52 -4.92 -0.06 0.00 1.24 0.00 0.00 39.78 36.56 2trh n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2trh s VAL 28 N -3.30 4.99 0.15 3.44 1.01 -1.26 -4.75 120.40 120.67 2trh s VAL 28 Ca 0.56 0.90 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 2trh s VAL 28 Cb -0.25 -3.74 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 2trh s VAL 28 CO 0.69 0.57 0.92 0.00 0.00 0.00 0.00 175.10 177.28 2trh s ALA 29 N -1.05 3.31 -0.10 5.51 0.00 -1.26 -1.05 121.76 127.11 2trh s ALA 29 Ca 0.25 0.54 -0.01 0.00 0.00 0.00 0.00 51.96 52.73 2trh s ALA 29 Cb -0.17 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.78 2trh s ALA 29 CO 0.14 0.09 -0.03 0.08 0.00 0.00 0.00 175.76 176.03 2trh s VAL 30 N -0.47 0.69 -0.13 0.00 1.01 0.70 -1.88 120.40 120.32 2trh s VAL 30 Ca 0.43 -0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.30 2trh s VAL 30 Cb -0.24 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 2trh s VAL 30 CO 0.29 0.29 -0.12 -1.00 0.00 0.00 0.00 175.10 174.55 2trh s HIS 31 N 1.84 2.82 -0.07 5.22 3.76 -0.66 -0.85 115.29 127.36 2trh s HIS 31 Ca 0.05 -0.65 0.03 0.00 -0.15 0.00 0.00 55.06 54.33 2trh s HIS 31 Cb -0.13 -1.86 -0.02 0.00 1.11 0.00 0.00 32.58 31.68 2trh s HIS 31 CO -0.07 -0.22 -0.15 0.08 -0.85 0.00 0.00 174.74 173.53 2trh s VAL 32 N 0.40 3.00 0.17 -0.90 1.01 0.18 -0.53 120.40 123.73 2trh s VAL 32 Ca -0.10 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.23 2trh s VAL 32 Cb -0.16 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 2trh s VAL 32 CO 0.05 0.57 -0.17 -0.36 0.00 0.00 0.00 175.10 175.19 2trh s PHE 33 N -0.36 1.74 -0.05 5.22 0.08 0.10 -0.86 117.98 123.85 2trh s PHE 33 Ca 0.04 -0.50 0.05 0.00 0.12 0.00 0.00 56.93 56.63 2trh s PHE 33 Cb -0.12 -0.86 -0.00 0.00 -0.57 0.00 0.00 43.02 41.47 2trh s PHE 33 CO 0.02 0.31 -0.19 0.50 -0.10 0.00 0.00 175.22 175.77 2trh s ARG 34 N -2.98 1.97 0.25 0.44 3.52 -0.49 -0.04 118.95 121.62 2trh s ARG 34 Ca 0.16 -0.68 -0.30 0.00 -0.13 0.00 0.00 55.73 54.79 2trh s ARG 34 Cb -0.04 -1.69 -0.09 0.00 -1.56 0.00 0.00 34.95 31.56 2trh s ARG 34 CO 0.06 0.27 1.27 0.21 -0.81 0.00 0.00 175.30 176.31 2trh s LYS 35 N -0.00 4.42 0.57 5.12 2.20 -0.29 -0.87 119.74 130.88 2trh s LYS 35 Ca -0.04 2.06 0.09 0.00 -0.36 0.00 0.00 55.97 57.73 2trh s LYS 35 Cb -0.12 -3.16 0.09 0.00 -1.51 0.00 0.00 37.83 33.14 2trh s LYS 35 CO 0.03 -0.16 0.78 0.00 -0.36 0.00 0.00 175.35 175.64 2trh n ALA 36 N 1.84 1.18 -0.19 3.13 0.00 0.01 -4.79 120.51 121.69 2trh n ALA 36 Ca 0.03 -2.03 -0.08 0.00 0.00 0.00 0.00 53.44 51.36 2trh n ALA 36 Cb 0.43 0.55 0.02 0.00 0.00 0.00 0.00 19.45 20.44 2trh n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2trh h ALA 37 N 0.11 0.69 0.00 0.00 0.00 -1.95 0.65 119.26 118.76 2trh h ALA 37 Ca -0.26 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2trh h ALA 37 Cb 1.21 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2trh h ALA 37 CO 0.37 0.28 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 2trh n ASP 38 N -4.55 0.00 0.00 0.00 5.68 -1.26 -4.81 116.55 111.61 2trh n ASP 38 Ca 0.02 0.34 0.00 0.00 -0.50 0.00 0.00 54.79 54.66 2trh n ASP 38 Cb 0.14 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.73 2trh n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2trh n ASP 39 N -1.39 -1.75 -4.72 -1.12 2.03 0.22 -5.05 116.55 104.77 2trh n ASP 39 Ca 0.02 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.09 2trh n ASP 39 Cb 0.05 -0.29 0.10 0.00 -0.72 0.00 0.00 41.12 40.26 2trh n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2trh s THR 40 N -2.77 2.24 -0.38 5.18 -4.23 -1.26 -4.64 115.64 109.79 2trh s THR 40 Ca 0.00 -0.52 -0.21 0.00 -1.18 0.00 0.00 61.69 59.78 2trh s THR 40 Cb 0.00 -2.72 0.01 0.00 1.34 0.00 0.00 72.50 71.12 2trh s THR 40 CO 0.00 0.00 0.67 0.26 -0.54 0.00 0.00 174.62 175.01 2trh s TRP 41 N -3.14 3.12 -0.24 3.99 0.52 -1.26 -0.81 118.94 121.12 2trh s TRP 41 Ca 0.64 0.30 -0.13 0.00 0.02 0.00 0.00 56.10 56.93 2trh s TRP 41 Cb -0.07 -3.25 -0.04 0.00 -1.15 0.00 0.00 33.47 28.96 2trh s TRP 41 CO 0.44 -0.71 0.29 -1.21 0.02 0.00 0.00 176.95 175.78 2trh s GLU 42 N 2.82 4.08 0.08 4.98 2.02 -0.05 -4.89 118.70 127.74 2trh s GLU 42 Ca 0.25 -0.05 -0.37 0.00 0.02 0.00 0.00 54.97 54.83 2trh s GLU 42 Cb -0.14 -3.58 -0.17 0.00 0.10 0.00 0.00 34.13 30.34 2trh s GLU 42 CO 0.16 -0.08 1.21 -2.30 0.02 0.00 0.00 175.26 174.28 2trh n PRO 43 N 4.67 0.79 0.03 0.39 -0.02 -1.26 -1.39 135.00 138.20 2trh n PRO 43 Ca -0.11 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2trh n PRO 43 Cb 0.51 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 2trh n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2trh n PHE 44 N 1.99 -0.17 -3.60 6.00 7.35 -0.04 -4.81 117.46 124.18 2trh n PHE 44 Ca 0.18 0.03 -0.11 0.00 -0.76 0.00 0.00 57.45 56.80 2trh n PHE 44 Cb 0.17 0.08 -0.04 0.00 0.35 0.00 0.00 39.48 40.04 2trh n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2trh s ALA 45 N -2.00 -1.06 0.15 3.13 0.00 -0.97 -5.00 121.76 116.01 2trh s ALA 45 Ca 0.00 0.04 -0.24 0.00 0.00 0.00 0.00 51.96 51.76 2trh s ALA 45 Cb 0.00 0.75 0.07 0.00 0.00 0.00 0.00 23.12 23.93 2trh s ALA 45 CO 0.00 -0.68 0.71 -1.54 0.00 0.00 0.00 175.76 174.25 2trh s SER 46 N -2.80 -0.44 0.00 0.00 1.04 -1.26 0.49 113.70 110.72 2trh s SER 46 Ca 0.03 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.32 2trh s SER 46 Cb 0.01 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2trh s SER 46 CO -0.11 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.75 2trh n GLY 47 N -0.37 -1.46 3.36 7.32 0.00 -0.03 -5.00 105.19 109.01 2trh n GLY 47 Ca -0.12 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 2trh n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2trh s LYS 48 N -1.57 1.54 0.41 1.61 1.02 -1.26 -0.21 119.74 121.28 2trh s LYS 48 Ca 0.00 -1.23 -0.27 0.00 0.02 0.00 0.00 55.97 54.50 2trh s LYS 48 Cb 0.00 -1.88 -0.09 0.00 -0.52 0.00 0.00 37.83 35.34 2trh s LYS 48 CO 0.00 0.46 1.41 0.95 -0.92 0.00 0.00 175.35 177.26 2trh s THR 49 N -0.95 2.21 0.15 2.17 -4.23 -0.22 -4.85 115.64 109.93 2trh s THR 49 Ca 0.12 0.20 -0.03 0.00 -1.18 0.00 0.00 61.69 60.81 2trh s THR 49 Cb -0.10 -3.12 0.04 0.00 1.34 0.00 0.00 72.50 70.66 2trh s THR 49 CO 0.04 0.04 0.18 -1.54 -0.54 0.00 0.00 174.62 172.80 2trh n SER 50 N 0.16 -0.38 0.30 3.99 3.41 -0.56 -1.72 113.62 118.81 2trh n SER 50 Ca 0.03 -0.91 0.17 0.00 -0.26 0.00 0.00 58.87 57.90 2trh n SER 50 Cb 0.41 -0.15 0.92 0.00 -0.26 0.00 0.00 64.21 65.14 2trh n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2trh h GLU 51 N 0.00 0.00 -0.15 4.33 4.39 -1.94 -0.28 114.58 120.93 2trh h GLU 51 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2trh h GLU 51 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2trh h GLU 51 CO 0.04 0.04 0.00 -1.13 -1.16 0.00 0.00 179.01 176.80 2trh n SER 52 N -3.43 2.41 -0.15 1.42 3.41 -1.26 -4.83 113.62 111.19 2trh n SER 52 Ca -0.02 -1.81 -0.02 0.00 -0.26 0.00 0.00 58.87 56.76 2trh n SER 52 Cb 0.16 -0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.01 2trh n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2trh n GLY 53 N 1.29 0.53 3.78 5.00 0.00 -0.12 -4.81 105.19 110.87 2trh n GLY 53 Ca 0.17 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 2trh n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2trh s GLU 54 N -1.25 2.82 -0.09 1.61 2.02 -1.26 -0.05 118.70 122.49 2trh s GLU 54 Ca 0.00 -0.97 -0.03 0.00 0.02 0.00 0.00 54.97 53.99 2trh s GLU 54 Cb 0.00 -2.57 0.05 0.00 0.10 0.00 0.00 34.13 31.71 2trh s GLU 54 CO 0.00 0.46 0.12 -1.17 0.02 0.00 0.00 175.26 174.69 2trh s LEU 55 N -3.28 0.05 0.15 1.80 2.96 0.10 -1.50 118.68 118.96 2trh s LEU 55 Ca 0.31 0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 54.27 2trh s LEU 55 Cb -0.09 0.07 -0.03 0.00 0.50 0.00 0.00 46.19 46.63 2trh s LEU 55 CO 0.23 -0.27 0.12 -1.38 -1.32 0.00 0.00 176.35 173.73 2trh s HIS 56 N 2.23 0.79 -0.00 5.38 -3.43 -1.26 -0.92 115.29 118.07 2trh s HIS 56 Ca 0.04 -1.14 0.00 0.00 -0.80 0.00 0.00 55.06 53.16 2trh s HIS 56 Cb -0.13 -0.39 0.00 0.00 -1.43 0.00 0.00 32.58 30.63 2trh s HIS 56 CO -0.06 -0.58 0.00 0.41 -2.00 0.00 0.00 174.74 172.51 2trh n GLY 57 N -0.14 0.38 0.22 -1.38 0.00 -1.26 -4.91 105.19 98.09 2trh n GLY 57 Ca -0.05 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.83 2trh n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2trh h LEU 58 N 0.00 0.81 0.00 0.99 3.38 -1.79 -3.38 115.31 115.32 2trh h LEU 58 Ca -0.00 -0.50 -0.36 0.00 0.09 0.00 0.00 57.88 57.11 2trh h LEU 58 Cb 0.49 -0.24 -0.10 0.00 0.09 0.00 0.00 40.66 40.90 2trh h LEU 58 CO 0.00 1.27 -0.35 1.07 0.09 0.00 0.00 178.44 180.53 2trh n THR 59 N -3.93 0.00 -4.25 0.22 5.66 -1.09 -4.47 114.28 106.42 2trh n THR 59 Ca -0.06 -1.88 -0.20 0.00 -3.05 0.00 0.00 64.05 58.87 2trh n THR 59 Cb 0.70 0.95 -0.12 0.00 -1.55 0.00 0.00 70.33 70.31 2trh n THR 59 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2trh s THR 60 N -3.04 1.44 0.24 1.09 2.01 -1.26 -2.73 115.64 113.39 2trh s THR 60 Ca 0.31 -1.63 0.27 0.00 0.31 0.00 0.00 61.69 60.95 2trh s THR 60 Cb 0.01 -1.49 0.28 0.00 0.01 0.00 0.00 72.50 71.31 2trh s THR 60 CO 0.22 -0.29 1.94 1.05 -0.69 0.00 0.00 174.62 176.85 2trh h GLU 61 N 3.75 0.00 -0.01 4.92 4.11 -1.90 0.32 114.58 125.77 2trh h GLU 61 Ca -0.42 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.84 2trh h GLU 61 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2trh h GLU 61 CO 0.46 0.16 -0.78 0.93 0.07 0.00 0.00 179.01 179.85 2trh h GLU 62 N 0.00 0.14 0.00 1.06 4.39 -1.91 -3.25 114.58 115.02 2trh h GLU 62 Ca -0.00 -0.14 -0.25 0.00 0.34 0.00 0.00 59.36 59.31 2trh h GLU 62 Cb 0.57 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 2trh h GLU 62 CO 0.02 0.85 -1.34 1.49 -1.16 0.00 0.00 179.01 178.88 2trh h GLU 63 N 0.09 0.00 -4.52 2.33 4.81 -1.67 -3.41 114.58 112.21 2trh h GLU 63 Ca -0.02 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.53 2trh h GLU 63 Cb 1.37 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.72 2trh h GLU 63 CO 0.11 0.75 2.71 0.34 -0.73 0.00 0.00 179.01 182.20 2trh n PHE 64 N -3.20 3.43 -1.85 0.92 7.35 0.06 -4.97 117.46 119.20 2trh n PHE 64 Ca -0.08 -2.68 -0.30 0.00 -0.76 0.00 0.00 57.45 53.64 2trh n PHE 64 Cb 0.99 -2.43 0.17 0.00 0.35 0.00 0.00 39.48 38.56 2trh n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2trh s VAL 65 N 4.10 1.97 0.43 -2.13 -7.23 -1.26 -4.94 120.40 111.34 2trh s VAL 65 Ca 0.51 0.00 -0.24 0.00 -1.81 0.00 0.00 61.98 60.44 2trh s VAL 65 Cb 0.11 -2.96 -0.08 0.00 0.56 0.00 0.00 36.38 34.02 2trh s VAL 65 CO -0.01 0.00 1.20 -1.61 -0.31 0.00 0.00 175.10 174.37 2trh s GLU 66 N -5.79 3.89 0.00 4.82 2.02 -1.26 -4.87 118.70 117.51 2trh s GLU 66 Ca 0.72 1.88 0.00 0.00 0.02 0.00 0.00 54.97 57.59 2trh s GLU 66 Cb -0.06 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.60 2trh s GLU 66 CO 0.53 -0.47 0.00 0.41 0.02 0.00 0.00 175.26 175.75 2trh n GLY 67 N 0.58 -0.85 3.29 -1.39 0.00 -1.24 -4.96 105.19 100.63 2trh n GLY 67 Ca 0.06 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 2trh n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2trh s ILE 68 N -3.00 3.14 0.17 -0.61 1.01 -1.26 -0.29 121.20 120.35 2trh s ILE 68 Ca 0.00 -0.58 0.09 0.00 0.00 0.00 0.00 60.65 60.16 2trh s ILE 68 Cb 0.00 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 2trh s ILE 68 CO 0.00 0.45 -0.12 -0.31 0.00 0.00 0.00 174.94 174.96 2trh s TYR 69 N 1.29 2.59 -0.10 3.97 1.51 -0.35 -1.14 117.35 125.12 2trh s TYR 69 Ca 0.03 -0.24 -0.01 0.00 -1.01 0.00 0.00 57.07 55.85 2trh s TYR 69 Cb -0.14 -1.29 0.02 0.00 -0.11 0.00 0.00 41.96 40.44 2trh s TYR 69 CO -0.04 0.48 -0.05 0.21 -1.11 0.00 0.00 175.55 175.04 2trh s LYS 70 N -2.65 1.23 -0.31 -0.62 2.20 0.94 -2.18 119.74 118.36 2trh s LYS 70 Ca 0.23 -0.15 -0.11 0.00 -0.36 0.00 0.00 55.97 55.59 2trh s LYS 70 Cb -0.09 -1.36 -0.02 0.00 -1.51 0.00 0.00 37.83 34.84 2trh s LYS 70 CO 0.14 -0.26 0.18 0.08 -0.36 0.00 0.00 175.35 175.13 2trh s VAL 71 N 1.70 4.92 -0.14 4.02 1.01 -0.39 -0.72 120.40 130.80 2trh s VAL 71 Ca 0.03 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.75 2trh s VAL 71 Cb -0.13 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2trh s VAL 71 CO -0.06 0.11 0.04 -0.70 0.00 0.00 0.00 175.10 174.49 2trh s GLU 72 N 1.68 3.60 -0.21 2.72 2.12 0.32 -1.54 118.70 127.39 2trh s GLU 72 Ca 0.06 -0.35 0.01 0.00 0.36 0.00 0.00 54.97 55.05 2trh s GLU 72 Cb -0.17 -3.06 0.03 0.00 0.26 0.00 0.00 34.13 31.20 2trh s GLU 72 CO 0.08 0.45 -0.16 0.42 -0.54 0.00 0.00 175.26 175.51 2trh s ILE 73 N -0.16 2.15 -1.02 -3.70 1.01 0.12 -1.65 121.20 117.95 2trh s ILE 73 Ca 0.07 -1.15 -0.23 0.00 0.00 0.00 0.00 60.65 59.34 2trh s ILE 73 Cb -0.12 -2.03 -0.12 0.00 0.01 0.00 0.00 42.46 40.20 2trh s ILE 73 CO 0.01 0.35 1.92 -0.67 0.00 0.00 0.00 174.94 176.56 2trh n ASP 74 N 4.57 2.83 0.08 3.58 2.03 -0.79 -1.36 116.55 127.48 2trh n ASP 74 Ca -0.19 -2.69 -0.09 0.00 0.52 0.00 0.00 54.79 52.35 2trh n ASP 74 Cb 0.47 -1.51 0.01 0.00 -0.72 0.00 0.00 41.12 39.38 2trh n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2trh h THR 75 N 5.59 1.44 -0.37 5.18 1.35 -1.88 -3.28 112.91 120.95 2trh h THR 75 Ca 0.28 -2.40 -0.02 0.00 -0.55 0.00 0.00 66.41 63.72 2trh h THR 75 Cb 0.85 2.32 -0.02 0.00 -1.73 0.00 0.00 68.15 69.57 2trh h THR 75 CO 1.48 0.71 0.14 0.50 -0.25 0.00 0.00 175.52 178.10 2trh h LYS 76 N 0.17 0.55 -0.13 4.72 3.64 -1.77 -2.09 116.57 121.66 2trh h LYS 76 Ca -0.04 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 2trh h LYS 76 Cb 1.42 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 2trh h LYS 76 CO 0.13 0.55 -0.08 0.77 -2.27 0.00 0.00 179.45 178.55 2trh h SER 77 N 0.45 0.19 0.16 4.20 0.02 -1.87 -1.69 113.55 115.00 2trh h SER 77 Ca 0.12 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2trh h SER 77 Cb 0.21 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2trh h SER 77 CO -0.01 0.29 -0.08 0.22 -1.14 0.00 0.00 176.83 176.12 2trh h TYR 78 N 0.20 -0.20 -0.39 3.45 3.20 -1.50 -2.79 116.97 118.94 2trh h TYR 78 Ca 0.04 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.78 2trh h TYR 78 Cb 0.27 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2trh h TYR 78 CO 0.00 -0.05 -0.27 -1.49 -1.64 0.00 0.00 178.16 174.71 2trh h TRP 79 N -0.29 1.02 -0.57 -3.82 4.06 -1.12 -3.09 115.95 112.13 2trh h TRP 79 Ca -0.02 -0.28 0.17 0.00 2.06 0.00 0.00 58.89 60.82 2trh h TRP 79 Cb 0.23 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 2trh h TRP 79 CO -0.04 1.07 0.50 0.87 -3.56 0.00 0.00 178.44 177.27 2trh h LYS 80 N 0.68 0.00 0.00 0.49 1.57 -1.19 0.16 116.57 118.28 2trh h LYS 80 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2trh h LYS 80 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 2trh h LYS 80 CO 0.07 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.95 2trh h ALA 81 N 1.54 1.00 -0.33 3.86 0.00 -1.41 -3.00 119.26 120.92 2trh h ALA 81 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2trh h ALA 81 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2trh h ALA 81 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 2trh n LEU 82 N -2.81 3.13 0.00 0.00 4.32 0.55 -4.94 117.00 117.25 2trh n LEU 82 Ca 0.04 -1.32 0.00 0.00 -0.02 0.00 0.00 56.01 54.71 2trh n LEU 82 Cb 0.47 -0.21 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 2trh n LEU 82 CO 0.32 0.66 0.00 0.61 -1.22 0.00 0.00 177.39 177.76 2trh n GLY 83 N 1.44 0.83 3.94 -0.72 0.00 -1.08 -5.02 105.19 104.57 2trh n GLY 83 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 2trh n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2trh s ILE 84 N -3.27 5.33 -0.20 -0.61 1.01 -1.14 -5.02 121.20 117.30 2trh s ILE 84 Ca 0.00 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 2trh s ILE 84 Cb 0.00 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 2trh s ILE 84 CO 0.00 -0.06 0.06 -0.94 0.00 0.00 0.00 174.94 174.01 2trh s SER 85 N -3.12 5.48 0.64 3.58 1.04 -1.26 -3.61 113.70 116.45 2trh s SER 85 Ca 0.35 -0.00 -0.03 0.00 0.48 0.00 0.00 55.95 56.75 2trh s SER 85 Cb -0.11 -1.95 0.06 0.00 0.10 0.00 0.00 66.02 64.11 2trh s SER 85 CO 0.28 0.12 0.91 -2.16 0.98 0.00 0.00 173.24 173.37 2trh s PRO 86 N 0.71 2.27 -0.23 4.02 0.04 -1.26 -4.83 135.00 135.72 2trh s PRO 86 Ca 0.03 -0.59 0.04 0.00 0.04 0.00 0.00 61.00 60.52 2trh s PRO 86 Cb -0.13 -2.33 -0.17 0.00 0.04 0.00 0.00 34.50 31.91 2trh s PRO 86 CO 0.02 -1.05 -0.16 0.34 0.04 0.00 0.00 177.00 176.19 2trh n PHE 87 N -2.66 0.00 -2.96 0.56 7.35 -0.59 -5.00 117.46 114.15 2trh n PHE 87 Ca 0.09 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.47 2trh n PHE 87 Cb 0.60 -0.91 -0.04 0.00 0.35 0.00 0.00 39.48 39.47 2trh n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 2trh s HIS 88 N -2.47 3.42 0.06 -5.13 3.76 -1.26 -5.00 115.29 108.67 2trh s HIS 88 Ca -0.28 1.14 -0.09 0.00 -0.15 0.00 0.00 55.06 55.68 2trh s HIS 88 Cb 0.08 -2.50 -0.31 0.00 1.11 0.00 0.00 32.58 30.96 2trh s HIS 88 CO 0.58 -0.03 1.09 0.93 -0.85 0.00 0.00 174.74 176.46 2trh h GLU 89 N 1.68 0.37 0.00 1.40 4.39 -1.97 -3.39 114.58 117.06 2trh h GLU 89 Ca -0.47 -0.63 0.25 0.00 0.34 0.00 0.00 59.36 58.84 2trh h GLU 89 Cb 1.18 0.24 -0.05 0.00 -0.10 0.00 0.00 28.75 30.02 2trh h GLU 89 CO 0.64 1.30 0.69 -2.39 -1.16 0.00 0.00 179.01 178.10 2trh n HIS 90 N -3.60 -0.53 -4.97 4.33 1.44 -1.26 -3.98 115.22 106.65 2trh n HIS 90 Ca -0.12 -0.69 -0.27 0.00 -2.01 0.00 0.00 57.72 54.64 2trh n HIS 90 Cb 1.05 0.32 -0.16 0.00 0.12 0.00 0.00 29.99 31.33 2trh n HIS 90 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2trh s ALA 91 N -1.84 1.66 0.16 1.59 0.00 -0.46 -4.88 121.76 117.99 2trh s ALA 91 Ca 0.24 -0.84 0.10 0.00 0.00 0.00 0.00 51.96 51.46 2trh s ALA 91 Cb -0.01 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 2trh s ALA 91 CO 0.01 0.38 -0.23 -1.21 0.00 0.00 0.00 175.76 174.70 2trh s GLU 92 N -0.35 1.39 -0.17 0.00 2.02 -1.25 0.16 118.70 120.50 2trh s GLU 92 Ca 0.05 -1.41 -0.03 0.00 0.02 0.00 0.00 54.97 53.60 2trh s GLU 92 Cb -0.09 -1.72 0.05 0.00 0.10 0.00 0.00 34.13 32.48 2trh s GLU 92 CO 0.00 0.38 0.04 0.08 0.02 0.00 0.00 175.26 175.78 2trh s VAL 93 N -1.49 0.44 -0.20 2.63 1.01 -0.59 -4.94 120.40 117.26 2trh s VAL 93 Ca 0.16 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 2trh s VAL 93 Cb -0.08 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 2trh s VAL 93 CO 0.08 -0.14 -0.03 -0.69 0.00 0.00 0.00 175.10 174.31 2trh s VAL 94 N 1.90 3.64 0.02 2.92 1.01 -1.26 -1.27 120.40 127.37 2trh s VAL 94 Ca 0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 2trh s VAL 94 Cb -0.16 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.59 2trh s VAL 94 CO -0.08 0.44 0.18 0.72 0.00 0.00 0.00 175.10 176.37 2trh s PHE 95 N 1.05 0.04 0.18 5.22 -0.71 -0.93 -5.02 117.98 117.82 2trh s PHE 95 Ca 0.01 -0.20 -0.16 0.00 -1.04 0.00 0.00 56.93 55.54 2trh s PHE 95 Cb -0.15 -0.03 -0.07 0.00 -1.21 0.00 0.00 43.02 41.56 2trh s PHE 95 CO 0.01 -0.38 0.62 0.99 -1.34 0.00 0.00 175.22 175.11 2trh s THR 96 N -2.13 4.75 0.00 -4.49 2.01 -1.26 -1.22 115.64 113.31 2trh s THR 96 Ca -0.09 0.98 0.03 0.00 0.31 0.00 0.00 61.69 62.93 2trh s THR 96 Cb -0.03 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 2trh s THR 96 CO -0.02 0.21 -0.07 0.00 -0.69 0.00 0.00 174.62 174.05 2trh s ALA 97 N -1.51 3.00 -1.50 7.40 0.00 0.60 -4.71 121.76 125.04 2trh s ALA 97 Ca 0.40 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 51.28 2trh s ALA 97 Cb -0.15 -1.12 0.05 0.00 0.00 0.00 0.00 23.12 21.90 2trh s ALA 97 CO 0.20 0.61 0.55 0.09 0.00 0.00 0.00 175.76 177.21 2trh n ASN 98 N 1.59 -1.43 -0.54 0.00 3.02 -1.26 -3.64 115.26 113.00 2trh n ASN 98 Ca -0.16 -1.00 0.43 0.00 -0.03 0.00 0.00 54.58 53.83 2trh n ASN 98 Cb 0.53 -2.99 0.69 0.00 -0.61 0.00 0.00 39.78 37.40 2trh n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2trh n ASP 99 N -2.88 0.10 -2.99 6.41 5.75 -1.26 -1.66 116.55 120.03 2trh n ASP 99 Ca -0.18 1.12 -0.17 0.00 -0.01 0.00 0.00 54.79 55.55 2trh n ASP 99 Cb 0.62 -0.55 -0.01 0.00 -1.03 0.00 0.00 41.12 40.14 2trh n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2trh n SER 100 N -4.20 -1.23 0.00 -1.12 7.64 -1.26 -5.12 113.62 108.33 2trh n SER 100 Ca 0.39 -2.98 0.00 0.00 1.01 0.00 0.00 58.87 57.29 2trh n SER 100 Cb 1.66 0.50 0.00 0.00 -1.01 0.00 0.00 64.21 65.36 2trh n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2trh n GLY 101 N 1.49 -0.65 3.77 0.23 0.00 -0.66 -5.02 105.19 104.35 2trh n GLY 101 Ca 0.16 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 2trh n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2trh s PRO 102 N -3.78 1.94 0.13 1.61 0.04 -1.26 -4.53 135.00 129.16 2trh s PRO 102 Ca 0.00 0.81 -0.25 0.00 0.04 0.00 0.00 61.00 61.60 2trh s PRO 102 Cb 0.00 -1.89 0.08 0.00 0.04 0.00 0.00 34.50 32.73 2trh s PRO 102 CO 0.00 -1.76 1.08 -0.98 0.04 0.00 0.00 177.00 175.38 2trh s ARG 103 N -5.04 1.06 0.33 4.56 1.70 -1.26 -4.94 118.95 115.37 2trh s ARG 103 Ca 0.61 -0.65 -0.16 0.00 -0.47 0.00 0.00 55.73 55.06 2trh s ARG 103 Cb -0.16 0.32 -0.09 0.00 -0.57 0.00 0.00 34.95 34.45 2trh s ARG 103 CO 0.55 -0.49 0.77 1.03 -1.08 0.00 0.00 175.30 176.08 2trh s ARG 104 N -2.48 4.05 -0.17 3.89 1.81 0.08 -4.82 118.95 121.32 2trh s ARG 104 Ca 0.19 0.75 0.01 0.00 -1.72 0.00 0.00 55.73 54.95 2trh s ARG 104 Cb -0.01 -2.42 0.03 0.00 -0.45 0.00 0.00 34.95 32.10 2trh s ARG 104 CO 0.03 0.14 -0.13 0.71 -0.68 0.00 0.00 175.30 175.37 2trh s TYR 105 N -1.99 2.29 -0.29 -0.53 1.51 0.20 -2.31 117.35 116.22 2trh s TYR 105 Ca 0.55 -1.37 -0.04 0.00 -1.01 0.00 0.00 57.07 55.20 2trh s TYR 105 Cb -0.10 -1.63 0.03 0.00 -0.11 0.00 0.00 41.96 40.15 2trh s TYR 105 CO 0.17 -0.70 0.02 0.99 -1.11 0.00 0.00 175.55 174.91 2trh s THR 106 N 1.44 3.31 -0.28 -0.71 2.01 -0.94 -0.39 115.64 120.08 2trh s THR 106 Ca 0.03 -1.08 -0.17 0.00 0.31 0.00 0.00 61.69 60.78 2trh s THR 106 Cb -0.14 -2.79 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 2trh s THR 106 CO -0.10 0.01 0.46 -0.63 -0.69 0.00 0.00 174.62 173.67 2trh s ILE 107 N 1.35 5.10 0.13 1.82 -1.09 0.63 -1.87 121.20 127.28 2trh s ILE 107 Ca -0.01 0.65 0.04 0.00 -2.23 0.00 0.00 60.65 59.10 2trh s ILE 107 Cb -0.18 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 2trh s ILE 107 CO -0.01 0.06 0.12 0.00 -1.23 0.00 0.00 174.94 173.88 2trh s ALA 108 N 2.23 3.57 -0.16 9.38 0.00 0.17 -1.10 121.76 135.86 2trh s ALA 108 Ca 0.18 -1.13 -0.07 0.00 0.00 0.00 0.00 51.96 50.93 2trh s ALA 108 Cb -0.16 -1.40 0.06 0.00 0.00 0.00 0.00 23.12 21.63 2trh s ALA 108 CO 0.10 0.60 0.36 0.00 0.00 0.00 0.00 175.76 176.82 2trh s ALA 109 N -1.61 -0.92 -0.21 0.00 0.00 -0.73 -1.00 121.76 117.29 2trh s ALA 109 Ca 0.30 1.35 -0.03 0.00 0.00 0.00 0.00 51.96 53.58 2trh s ALA 109 Cb -0.11 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 2trh s ALA 109 CO 0.23 -0.40 -0.06 -1.17 0.00 0.00 0.00 175.76 174.35 2trh s LEU 110 N 1.76 2.81 -0.05 0.00 2.96 -0.07 -0.76 118.68 125.33 2trh s LEU 110 Ca -0.07 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.45 2trh s LEU 110 Cb -0.10 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 2trh s LEU 110 CO -0.11 -0.00 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.07 2trh s LEU 111 N 1.37 3.09 0.08 -0.68 1.43 -0.24 -1.21 118.68 122.52 2trh s LEU 111 Ca 0.05 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 2trh s LEU 111 Cb -0.14 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2trh s LEU 111 CO -0.04 0.35 -0.06 -0.44 0.23 0.00 0.00 176.35 176.39 2trh s SER 112 N -0.90 1.01 0.30 2.29 0.01 0.13 -1.04 113.70 115.49 2trh s SER 112 Ca 0.13 -0.92 0.06 0.00 1.31 0.00 0.00 55.95 56.53 2trh s SER 112 Cb -0.11 0.10 0.79 0.00 0.21 0.00 0.00 66.02 67.00 2trh s SER 112 CO 0.02 -0.43 1.70 -0.65 0.41 0.00 0.00 173.24 174.29 2trh h PRO 113 N 3.27 0.41 -0.12 12.44 0.11 -2.00 -2.69 132.00 143.43 2trh h PRO 113 Ca -0.35 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2trh h PRO 113 Cb 1.17 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2trh h PRO 113 CO 0.60 0.27 0.00 0.66 -0.21 0.00 0.00 178.00 179.33 2trh n TYR 114 N -5.02 0.36 -3.49 0.65 4.02 -1.26 -1.55 117.16 110.87 2trh n TYR 114 Ca 0.24 -0.85 -0.13 0.00 -0.01 0.00 0.00 57.90 57.15 2trh n TYR 114 Cb 0.70 -0.18 -0.04 0.00 -0.02 0.00 0.00 39.34 39.80 2trh n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2trh s SER 115 N -2.15 -0.52 -0.19 7.72 0.15 -1.02 -4.98 113.70 112.71 2trh s SER 115 Ca 0.31 0.28 -0.27 0.00 0.70 0.00 0.00 55.95 56.97 2trh s SER 115 Cb 0.25 0.49 0.07 0.00 -1.71 0.00 0.00 66.02 65.12 2trh s SER 115 CO 0.06 -0.69 0.70 -0.72 1.20 0.00 0.00 173.24 173.78 2trh s TYR 116 N -2.43 -0.73 0.22 3.44 -0.85 -1.26 0.17 117.35 115.92 2trh s TYR 116 Ca -0.02 1.62 0.11 0.00 -0.52 0.00 0.00 57.07 58.26 2trh s TYR 116 Cb -0.01 0.31 -0.05 0.00 0.38 0.00 0.00 41.96 42.60 2trh s TYR 116 CO -0.03 -0.46 -0.20 -1.54 -1.52 0.00 0.00 175.55 171.80 2trh s SER 117 N -0.18 3.26 -0.06 -0.18 1.04 -0.35 -4.96 113.70 112.28 2trh s SER 117 Ca -0.04 -0.95 -0.05 0.00 0.48 0.00 0.00 55.95 55.39 2trh s SER 117 Cb -0.03 -0.24 0.02 0.00 0.10 0.00 0.00 66.02 65.86 2trh s SER 117 CO 0.04 0.03 0.14 0.28 0.98 0.00 0.00 173.24 174.71 2trh s THR 118 N -2.23 -0.00 0.06 2.02 -1.32 -1.26 -0.89 115.64 112.01 2trh s THR 118 Ca 0.24 0.01 0.02 0.00 -1.21 0.00 0.00 61.69 60.76 2trh s THR 118 Cb -0.05 -0.21 -0.03 0.00 -1.51 0.00 0.00 72.50 70.69 2trh s THR 118 CO 0.11 0.01 -0.08 0.28 -2.21 0.00 0.00 174.62 172.73 2trh s THR 119 N 0.17 0.64 -0.07 5.08 -1.32 -0.17 -4.98 115.64 114.98 2trh s THR 119 Ca -0.01 -1.33 0.05 0.00 -1.21 0.00 0.00 61.69 59.19 2trh s THR 119 Cb -0.02 -0.94 -0.01 0.00 -1.51 0.00 0.00 72.50 70.02 2trh s THR 119 CO -0.00 -0.50 -0.24 0.00 -2.21 0.00 0.00 174.62 171.66 2trh s ALA 120 N -1.98 2.15 -0.28 11.08 0.00 -1.26 0.45 121.76 131.92 2trh s ALA 120 Ca -0.03 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.93 2trh s ALA 120 Cb -0.06 -0.73 0.06 0.00 0.00 0.00 0.00 23.12 22.39 2trh s ALA 120 CO -0.01 0.36 -0.05 0.08 0.00 0.00 0.00 175.76 176.14 2trh s VAL 121 N 0.05 2.52 -0.31 0.00 1.01 -0.78 -4.98 120.40 117.90 2trh s VAL 121 Ca -0.10 -1.57 -0.12 0.00 0.00 0.00 0.00 61.98 60.19 2trh s VAL 121 Cb -0.15 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 2trh s VAL 121 CO 0.06 -0.09 0.21 -0.69 0.00 0.00 0.00 175.10 174.59 2trh s VAL 122 N 1.15 5.23 -0.03 2.92 1.01 -1.26 -2.21 120.40 127.21 2trh s VAL 122 Ca -0.06 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 61.89 2trh s VAL 122 Cb -0.20 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2trh s VAL 122 CO -0.04 0.11 -0.19 -0.89 0.00 0.00 0.00 175.10 174.10 2trh s THR 123 N 1.73 1.50 -0.51 3.92 2.01 -0.98 -4.96 115.64 118.35 2trh s THR 123 Ca 0.06 -0.78 -0.27 0.00 0.31 0.00 0.00 61.69 61.01 2trh s THR 123 Cb -0.17 -1.26 0.03 0.00 0.01 0.00 0.00 72.50 71.11 2trh s THR 123 CO 0.10 0.43 1.06 0.21 -0.69 0.00 0.00 174.62 175.73 2trh s ASN 124 N -0.24 6.51 0.85 3.53 2.47 -1.26 -0.74 114.94 126.06 2trh s ASN 124 Ca 0.02 0.17 -0.11 0.00 0.42 0.00 0.00 52.86 53.37 2trh s ASN 124 Cb -0.09 -2.51 0.10 0.00 -1.45 0.00 0.00 41.25 37.30 2trh s ASN 124 CO 0.01 -1.24 1.10 -2.16 -3.72 0.00 0.00 177.10 171.08 2trh s PRO 125 N 4.30 1.65 0.29 0.43 0.04 -1.26 -5.00 135.00 135.44 2trh s PRO 125 Ca 0.41 1.15 0.02 0.00 0.04 0.00 0.00 61.00 62.63 2trh s PRO 125 Cb -0.09 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 2trh s PRO 125 CO 0.27 -2.07 0.33 1.63 0.04 0.00 0.00 177.00 177.20 2trh n LYS 126 N -3.81 0.47 0.00 4.56 4.76 -1.26 -5.09 118.16 117.79 2trh n LYS 126 Ca 0.09 -2.58 0.00 0.00 -2.87 0.00 0.00 58.31 52.95 2trh n LYS 126 Cb 0.53 2.29 0.00 0.00 -1.84 0.00 0.00 35.03 36.01 2trh n LYS 126 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12