#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t17 s HIS 2 N 0.00 -0.23 -0.15 2.03 4.02 -1.20 -5.06 115.29 114.70 1t17 s HIS 2 Ca 0.00 0.64 0.01 0.00 1.02 0.00 0.00 55.06 56.73 1t17 s HIS 2 Cb 0.00 -0.23 0.00 0.00 -1.02 0.00 0.00 32.58 31.33 1t17 s HIS 2 CO 0.00 -0.32 -0.18 0.50 1.02 0.00 0.00 174.74 175.76 1t17 s ARG 3 N 2.32 3.13 -0.11 1.40 3.52 -1.26 -2.82 118.95 125.12 1t17 s ARG 3 Ca 0.03 -0.80 0.03 0.00 -0.13 0.00 0.00 55.73 54.87 1t17 s ARG 3 Cb -0.12 -2.55 0.00 0.00 -1.56 0.00 0.00 34.95 30.72 1t17 s ARG 3 CO -0.07 -0.01 -0.22 -1.01 -0.81 0.00 0.00 175.30 173.18 1t17 s HIS 4 N 0.84 2.50 -0.11 5.12 3.76 0.27 -5.03 115.29 122.64 1t17 s HIS 4 Ca -0.05 -1.10 -0.02 0.00 -0.15 0.00 0.00 55.06 53.73 1t17 s HIS 4 Cb -0.15 -1.69 -0.03 0.00 1.11 0.00 0.00 32.58 31.82 1t17 s HIS 4 CO -0.01 -0.47 -0.02 0.08 -0.85 0.00 0.00 174.74 173.47 1t17 s VAL 5 N 0.52 4.11 -0.04 -0.90 1.01 -1.26 -1.60 120.40 122.24 1t17 s VAL 5 Ca -0.15 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1t17 s VAL 5 Cb -0.17 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.48 1t17 s VAL 5 CO 0.05 0.56 -0.02 -0.69 0.00 0.00 0.00 175.10 175.00 1t17 s VAL 6 N -0.41 0.39 -0.09 2.92 1.01 -0.58 -5.04 120.40 118.60 1t17 s VAL 6 Ca 0.07 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1t17 s VAL 6 Cb -0.12 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.81 1t17 s VAL 6 CO 0.02 0.20 -0.17 -0.89 0.00 0.00 0.00 175.10 174.26 1t17 s THR 7 N 1.08 1.59 0.12 3.92 2.01 -1.26 -0.60 115.64 122.49 1t17 s THR 7 Ca -0.09 -0.73 0.04 0.00 0.31 0.00 0.00 61.69 61.22 1t17 s THR 7 Cb -0.14 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 1t17 s THR 7 CO -0.01 0.46 -0.10 -1.59 -0.69 0.00 0.00 174.62 172.69 1t17 s LYS 8 N 0.68 0.94 -0.05 4.92 -2.85 -0.85 -5.01 119.74 117.52 1t17 s LYS 8 Ca -0.13 -1.31 -0.01 0.00 -1.00 0.00 0.00 55.97 53.52 1t17 s LYS 8 Cb -0.16 -0.53 0.03 0.00 -2.06 0.00 0.00 37.83 35.11 1t17 s LYS 8 CO 0.03 0.07 0.02 0.54 0.10 0.00 0.00 175.35 176.11 1t17 s VAL 9 N -2.97 0.15 -0.19 1.79 0.11 -1.26 -0.46 120.40 117.57 1t17 s VAL 9 Ca 0.11 0.24 0.01 0.00 -2.93 0.00 0.00 61.98 59.41 1t17 s VAL 9 Cb 0.00 -0.34 0.03 0.00 -1.53 0.00 0.00 36.38 34.55 1t17 s VAL 9 CO -0.00 0.21 -0.15 -0.76 -3.33 0.00 0.00 175.10 171.06 1t17 s LEU 10 N 1.88 2.32 -1.16 2.54 1.43 0.95 -4.95 118.68 121.70 1t17 s LEU 10 Ca 0.02 -0.81 -0.13 0.00 -1.03 0.00 0.00 54.13 52.19 1t17 s LEU 10 Cb -0.12 -1.38 -0.07 0.00 0.03 0.00 0.00 46.19 44.65 1t17 s LEU 10 CO -0.04 -0.08 2.26 -0.81 0.23 0.00 0.00 176.35 177.92 1t17 n PRO 11 N 4.63 2.45 -4.28 1.29 -0.04 -1.26 -1.37 135.00 136.40 1t17 n PRO 11 Ca -0.18 -2.00 -0.15 0.00 -0.04 0.00 0.00 63.50 61.13 1t17 n PRO 11 Cb 0.48 -2.86 -0.10 0.00 -0.04 0.00 0.00 33.50 30.98 1t17 n PRO 11 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1t17 s TYR 12 N 3.54 1.41 0.96 0.54 2.02 -1.26 -4.91 117.35 119.66 1t17 s TYR 12 Ca 0.53 -1.18 -0.11 0.00 -0.37 0.00 0.00 57.07 55.94 1t17 s TYR 12 Cb 0.14 -0.81 0.15 0.00 -0.40 0.00 0.00 41.96 41.04 1t17 s TYR 12 CO -0.01 -0.36 0.96 0.25 -1.57 0.00 0.00 175.55 174.82 1t17 n THR 13 N -0.39 0.00 1.11 -0.71 -2.24 -1.26 -4.36 114.28 106.43 1t17 n THR 13 Ca -0.01 -0.10 0.11 0.00 -2.27 0.00 0.00 64.05 61.78 1t17 n THR 13 Cb 0.66 -0.92 0.58 0.00 -2.10 0.00 0.00 70.33 68.55 1t17 n THR 13 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1t17 n PRO 14 N -3.82 0.36 -0.05 -0.78 -0.04 -1.26 -2.94 135.00 126.47 1t17 n PRO 14 Ca 0.10 0.06 -0.15 0.00 -0.04 0.00 0.00 63.50 63.47 1t17 n PRO 14 Cb 0.53 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 1t17 n PRO 14 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1t17 h ASP 15 N 0.00 0.69 -0.89 3.54 1.82 -2.02 -2.97 116.42 116.60 1t17 h ASP 15 Ca 0.00 -0.57 0.23 0.00 -0.39 0.00 0.00 57.03 56.31 1t17 h ASP 15 Cb 0.19 -0.20 -0.05 0.00 0.68 0.00 0.00 39.33 39.95 1t17 h ASP 15 CO 0.00 1.13 0.61 1.56 -1.61 0.00 0.00 179.24 180.93 1t17 h GLN 16 N 0.28 0.16 -0.58 0.28 1.08 -1.90 0.45 115.11 114.88 1t17 h GLN 16 Ca -0.00 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.13 1t17 h GLN 16 Cb 1.03 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.40 1t17 h GLN 16 CO 0.09 0.11 0.14 -0.07 -0.95 0.00 0.00 178.83 178.14 1t17 h LEU 17 N 0.17 0.89 -1.65 1.46 3.38 -1.70 -2.39 115.31 115.47 1t17 h LEU 17 Ca 0.44 -0.24 0.37 0.00 0.09 0.00 0.00 57.88 58.54 1t17 h LEU 17 Cb 1.47 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 41.90 1t17 h LEU 17 CO -0.08 0.90 0.86 0.15 0.09 0.00 0.00 178.44 180.35 1t17 h PHE 18 N 0.85 0.33 0.04 1.13 3.57 -0.12 1.57 116.94 124.31 1t17 h PHE 18 Ca 0.18 0.01 -0.23 0.00 3.53 0.00 0.00 57.97 61.47 1t17 h PHE 18 Cb 0.36 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1t17 h PHE 18 CO 0.03 -0.03 -1.04 0.93 -2.23 0.00 0.00 178.31 175.96 1t17 h GLU 19 N 0.14 0.13 -0.18 1.11 5.08 -1.44 -2.95 114.58 116.47 1t17 h GLU 19 Ca 0.68 -0.19 -0.19 0.00 -1.00 0.00 0.00 59.36 58.65 1t17 h GLU 19 Cb 2.27 0.07 0.01 0.00 0.50 0.00 0.00 28.75 31.59 1t17 h GLU 19 CO -0.20 1.05 -0.65 -0.07 -1.00 0.00 0.00 179.01 178.14 1t17 h LEU 20 N 0.04 0.88 -1.77 1.33 3.38 0.21 -1.52 115.31 117.87 1t17 h LEU 20 Ca -0.06 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.30 1t17 h LEU 20 Cb 1.76 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 1t17 h LEU 20 CO 0.15 1.34 -0.01 0.58 0.09 0.00 0.00 178.44 180.59 1t17 h VAL 21 N 0.48 1.07 -0.59 1.22 2.07 0.12 -0.82 116.25 119.81 1t17 h VAL 21 Ca -0.03 -0.27 -0.25 0.00 0.82 0.00 0.00 66.70 66.97 1t17 h VAL 21 Cb 1.28 1.01 -0.15 0.00 -1.52 0.00 0.00 31.29 31.91 1t17 h VAL 21 CO 0.14 0.09 0.20 0.61 0.02 0.00 0.00 177.57 178.62 1t17 n GLY 22 N -1.33 4.39 0.03 2.17 0.00 -1.11 -4.52 105.19 104.82 1t17 n GLY 22 Ca -0.02 -1.11 0.05 0.00 0.00 0.00 0.00 46.02 44.95 1t17 n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t17 n ASP 23 N -0.82 0.11 0.07 1.61 -0.08 -0.31 0.23 116.55 117.36 1t17 n ASP 23 Ca 0.40 0.54 0.13 0.00 -1.51 0.00 0.00 54.79 54.35 1t17 n ASP 23 Cb 1.26 -0.56 0.39 0.00 2.34 0.00 0.00 41.12 44.55 1t17 n ASP 23 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1t17 n VAL 24 N -1.64 0.40 -2.02 5.18 0.24 -1.26 -3.84 118.33 115.39 1t17 n VAL 24 Ca 0.02 -0.21 -0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1t17 n VAL 24 Cb 0.11 -0.43 -0.00 0.00 -1.47 0.00 0.00 33.84 32.04 1t17 n VAL 24 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1t17 n ASP 25 N -2.04 0.01 0.00 -1.34 2.03 0.45 -4.10 116.55 111.56 1t17 n ASP 25 Ca 0.05 -1.60 0.00 0.00 0.52 0.00 0.00 54.79 53.76 1t17 n ASP 25 Cb 0.41 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 1t17 n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1t17 n ALA 26 N 0.02 0.00 -2.70 -1.67 0.00 0.62 -5.05 120.51 111.73 1t17 n ALA 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1t17 n ALA 26 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1t17 n ALA 26 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1t17 n TYR 27 N 0.00 0.00 -2.30 0.00 4.11 -1.26 -4.68 117.16 113.02 1t17 n TYR 27 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.90 57.55 1t17 n TYR 27 Cb 0.00 -0.84 -0.04 0.00 -0.00 0.00 0.00 39.34 38.46 1t17 n TYR 27 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 1t17 s PRO 28 N -0.55 3.05 0.42 -3.48 0.04 -1.26 -4.80 135.00 128.41 1t17 s PRO 28 Ca 0.00 -0.54 0.00 0.00 0.04 0.00 0.00 61.00 60.50 1t17 s PRO 28 Cb 0.00 -5.03 0.00 0.00 0.04 0.00 0.00 34.50 29.51 1t17 s PRO 28 CO 0.00 -2.72 0.00 1.63 0.04 0.00 0.00 177.00 175.95 1t17 n LYS 29 N 8.95 -2.74 -2.20 4.56 4.76 -1.26 -5.02 118.16 125.22 1t17 n LYS 29 Ca 0.32 2.03 0.00 0.00 -2.87 0.00 0.00 58.31 57.78 1t17 n LYS 29 Cb 0.49 -3.27 0.00 0.00 -1.84 0.00 0.00 35.03 30.41 1t17 n LYS 29 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1t17 n PHE 30 N -4.07 -4.97 -2.68 2.13 -0.00 -1.26 -5.05 117.46 101.55 1t17 n PHE 30 Ca -0.03 2.99 -0.05 0.00 -0.00 0.00 0.00 57.45 60.36 1t17 n PHE 30 Cb 0.59 -3.72 0.07 0.00 -0.00 0.00 0.00 39.48 36.42 1t17 n PHE 30 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 1t17 n VAL 31 N 1.95 0.00 0.02 -2.13 0.24 -1.26 -5.01 118.33 112.13 1t17 n VAL 31 Ca 0.00 -0.74 -0.10 0.00 -2.04 0.00 0.00 64.34 61.46 1t17 n VAL 31 Cb 0.00 1.10 -0.07 0.00 -1.47 0.00 0.00 33.84 33.40 1t17 n VAL 31 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1t17 h PRO 32 N 3.35 -0.15 -1.88 7.34 0.13 -1.96 -3.16 132.00 135.66 1t17 h PRO 32 Ca -0.21 0.01 0.55 0.00 -0.87 0.00 0.00 66.00 65.49 1t17 h PRO 32 Cb 1.18 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 1t17 h PRO 32 CO -0.12 0.31 1.34 -2.67 -0.23 0.00 0.00 178.00 176.64 1t17 n TRP 33 N -4.85 0.08 -3.69 1.56 2.14 -1.26 -4.32 117.44 107.09 1t17 n TRP 33 Ca -0.07 0.08 0.00 0.00 2.07 0.00 0.00 57.50 59.58 1t17 n TRP 33 Cb 0.26 -0.56 0.00 0.00 -0.81 0.00 0.00 31.31 30.21 1t17 n TRP 33 CO 0.00 0.00 0.00 1.51 2.07 0.00 0.00 177.69 181.27 1t17 n ILE 34 N -3.96 0.00 0.00 -1.67 3.06 -1.19 -4.69 119.36 110.90 1t17 n ILE 34 Ca 0.43 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.68 1t17 n ILE 34 Cb 1.93 0.00 0.00 0.00 0.54 0.00 0.00 39.64 42.11 1t17 n ILE 34 CO 0.00 0.00 0.00 1.07 -2.50 0.00 0.00 176.55 175.12 1t17 n THR 35 N 0.00 0.00 -3.93 9.51 5.66 -1.25 -4.49 114.28 119.79 1t17 n THR 35 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1t17 n THR 35 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 1t17 n THR 35 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1t17 s GLY 36 N -0.96 2.12 -0.03 1.09 0.00 -1.26 -4.96 107.32 103.32 1t17 s GLY 36 Ca 0.00 -0.87 -0.25 0.00 0.00 0.00 0.00 44.72 43.60 1t17 s GLY 36 CO 0.00 -0.85 0.55 -0.29 0.00 0.00 0.00 173.10 172.51 1t17 s MET 37 N -2.60 0.94 -0.28 2.90 0.00 -1.25 -0.77 119.30 118.23 1t17 s MET 37 Ca 0.35 0.08 -0.21 0.00 0.00 0.00 0.00 55.69 55.91 1t17 s MET 37 Cb -0.13 0.43 0.12 0.00 0.00 0.00 0.00 34.83 35.26 1t17 s MET 37 CO 0.28 -0.29 0.94 0.50 0.00 0.00 0.00 175.02 176.45 1t17 s ARG 38 N -1.33 0.52 -0.08 4.11 3.00 -0.63 -4.99 118.95 119.55 1t17 s ARG 38 Ca -0.11 0.74 -0.01 0.00 -1.00 0.00 0.00 55.73 55.34 1t17 s ARG 38 Cb -0.02 0.19 0.03 0.00 0.00 0.00 0.00 34.95 35.15 1t17 s ARG 38 CO 0.07 -0.08 -0.00 0.95 0.00 0.00 0.00 175.30 176.24 1t17 s THR 39 N 0.82 0.46 -0.08 4.11 -4.23 -1.26 -0.26 115.64 115.21 1t17 s THR 39 Ca -0.03 0.03 -0.26 0.00 -1.18 0.00 0.00 61.69 60.25 1t17 s THR 39 Cb -0.05 -0.62 0.09 0.00 1.34 0.00 0.00 72.50 73.26 1t17 s THR 39 CO -0.11 0.24 1.18 -2.67 -0.54 0.00 0.00 174.62 172.73 1t17 n TRP 40 N 5.12 -0.03 -2.41 3.99 2.14 -0.90 -4.97 117.44 120.38 1t17 n TRP 40 Ca -0.08 -0.45 -0.00 0.00 2.07 0.00 0.00 57.50 59.04 1t17 n TRP 40 Cb 0.50 0.19 -0.00 0.00 -0.81 0.00 0.00 31.31 31.19 1t17 n TRP 40 CO 0.00 0.00 0.00 -1.71 2.07 0.00 0.00 177.69 178.05 1t17 n ASN 41 N -0.87 -6.38 0.00 -0.67 2.85 -1.26 -1.94 115.26 107.00 1t17 n ASN 41 Ca 0.06 1.09 0.00 0.00 -0.11 0.00 0.00 54.58 55.61 1t17 n ASN 41 Cb 0.50 -4.28 0.00 0.00 1.24 0.00 0.00 39.78 37.24 1t17 n ASN 41 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1t17 n GLY 42 N 0.56 1.16 3.23 8.20 0.00 -1.26 -2.39 105.19 114.68 1t17 n GLY 42 Ca -0.01 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 1t17 n GLY 42 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1t17 s ARG 43 N 4.02 1.01 -0.09 1.61 1.70 0.18 -4.97 118.95 122.41 1t17 s ARG 43 Ca 0.00 -1.30 0.01 0.00 -0.47 0.00 0.00 55.73 53.97 1t17 s ARG 43 Cb 0.00 -0.74 -0.02 0.00 -0.57 0.00 0.00 34.95 33.62 1t17 s ARG 43 CO 0.00 0.12 -0.13 0.54 -1.08 0.00 0.00 175.30 174.75 1t17 s VAL 44 N -2.62 3.09 0.15 4.99 0.11 -1.26 -1.08 120.40 123.78 1t17 s VAL 44 Ca 0.11 -0.68 0.07 0.00 -2.93 0.00 0.00 61.98 58.55 1t17 s VAL 44 Cb -0.02 -2.26 -0.04 0.00 -1.53 0.00 0.00 36.38 32.53 1t17 s VAL 44 CO 0.02 0.56 -0.15 -0.62 -3.33 0.00 0.00 175.10 171.58 1t17 s ASP 45 N -0.16 2.22 -0.29 3.54 2.15 -0.42 -4.99 116.67 118.73 1t17 s ASP 45 Ca -0.00 -0.87 -0.44 0.00 0.43 0.00 0.00 52.55 51.67 1t17 s ASP 45 Cb -0.13 -0.09 -0.20 0.00 -0.30 0.00 0.00 42.92 42.20 1t17 s ASP 45 CO 0.03 -0.14 1.40 0.61 -0.17 0.00 0.00 175.17 176.91 1t17 n GLY 46 N 0.28 0.05 3.25 2.66 0.00 -1.26 0.19 105.19 110.37 1t17 n GLY 46 Ca -0.13 0.90 -0.17 0.00 0.00 0.00 0.00 46.02 46.62 1t17 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t17 n ALA 47 N 3.09 -1.05 -2.69 4.61 0.00 -1.26 -4.83 120.51 118.37 1t17 n ALA 47 Ca 0.26 -0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.53 1t17 n ALA 47 Cb 0.01 -1.27 -0.07 0.00 0.00 0.00 0.00 19.45 18.11 1t17 n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1t17 s VAL 48 N -2.44 0.13 -0.14 0.00 1.01 0.52 -0.34 120.40 119.13 1t17 s VAL 48 Ca 0.33 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 1t17 s VAL 48 Cb -0.19 -1.18 0.05 0.00 0.00 0.00 0.00 36.38 35.05 1t17 s VAL 48 CO 0.40 -0.57 0.35 -0.55 0.00 0.00 0.00 175.10 174.73 1t17 s SER 49 N -2.58 -0.40 -0.08 3.32 0.15 0.83 -1.30 113.70 113.63 1t17 s SER 49 Ca 0.01 0.74 -0.01 0.00 0.70 0.00 0.00 55.95 57.39 1t17 s SER 49 Cb 0.03 0.68 0.03 0.00 -1.71 0.00 0.00 66.02 65.04 1t17 s SER 49 CO -0.09 -0.16 -0.00 -0.89 1.20 0.00 0.00 173.24 173.30 1t17 s THR 50 N 0.86 0.43 0.28 6.45 2.01 -0.24 0.15 115.64 125.58 1t17 s THR 50 Ca -0.05 0.06 -0.12 0.00 0.31 0.00 0.00 61.69 61.89 1t17 s THR 50 Cb -0.06 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 71.86 1t17 s THR 50 CO -0.06 0.25 0.53 0.68 -0.69 0.00 0.00 174.62 175.33 1t17 s VAL 51 N 1.95 0.00 0.22 3.82 -7.23 -0.51 0.51 120.40 119.16 1t17 s VAL 51 Ca 0.05 -1.36 -0.30 0.00 -1.81 0.00 0.00 61.98 58.56 1t17 s VAL 51 Cb -0.12 -2.34 -0.09 0.00 0.56 0.00 0.00 36.38 34.39 1t17 s VAL 51 CO -0.06 0.00 1.02 -1.81 -0.31 0.00 0.00 175.10 173.95 1t17 s ASP 52 N -3.05 7.44 -0.26 4.85 -0.00 -0.82 0.18 116.67 125.00 1t17 s ASP 52 Ca 0.22 2.06 0.01 0.00 -0.00 0.00 0.00 52.55 54.84 1t17 s ASP 52 Cb -0.02 -2.61 0.05 0.00 -0.00 0.00 0.00 42.92 40.34 1t17 s ASP 52 CO 0.11 -0.04 -0.08 0.00 -0.00 0.00 0.00 175.17 175.16 1t17 s ALA 53 N -0.85 2.64 -0.47 5.23 0.00 0.54 -2.11 121.76 126.74 1t17 s ALA 53 Ca 0.44 -1.67 -0.13 0.00 0.00 0.00 0.00 51.96 50.61 1t17 s ALA 53 Cb -0.28 -1.67 0.09 0.00 0.00 0.00 0.00 23.12 21.26 1t17 s ALA 53 CO 0.35 -1.09 0.36 -2.00 0.00 0.00 0.00 175.76 173.39 1t17 s GLU 54 N 1.19 2.79 0.10 0.00 2.12 0.65 -0.81 118.70 124.75 1t17 s GLU 54 Ca -0.05 -1.50 0.05 0.00 0.36 0.00 0.00 54.97 53.82 1t17 s GLU 54 Cb -0.19 -4.02 -0.04 0.00 0.26 0.00 0.00 34.13 30.14 1t17 s GLU 54 CO -0.04 -1.08 -0.01 0.00 -0.54 0.00 0.00 175.26 173.59 1t17 s ALA 55 N 1.52 3.25 0.42 6.30 0.00 -0.42 -1.61 121.76 131.22 1t17 s ALA 55 Ca 0.04 -1.15 0.04 0.00 0.00 0.00 0.00 51.96 50.88 1t17 s ALA 55 Cb -0.25 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 1t17 s ALA 55 CO 0.03 0.67 0.05 -0.65 0.00 0.00 0.00 175.76 175.87 1t17 s GLN 56 N -2.37 1.94 -0.06 0.00 -0.21 0.05 -1.60 119.66 117.41 1t17 s GLN 56 Ca 0.25 -2.16 0.01 0.00 0.02 0.00 0.00 55.36 53.48 1t17 s GLN 56 Cb -0.11 -1.15 0.02 0.00 1.00 0.00 0.00 33.01 32.77 1t17 s GLN 56 CO 0.18 -0.28 -0.04 0.14 -2.12 0.00 0.00 175.29 173.16 1t17 s VAL 57 N -3.04 0.59 -0.05 1.09 -7.23 -1.23 -3.78 120.40 106.74 1t17 s VAL 57 Ca 0.24 -0.11 -0.08 0.00 -1.81 0.00 0.00 61.98 60.22 1t17 s VAL 57 Cb 0.05 -0.63 -0.03 0.00 0.56 0.00 0.00 36.38 36.33 1t17 s VAL 57 CO 0.12 0.25 -0.16 0.61 -0.31 0.00 0.00 175.10 175.61 1t17 n GLY 58 N 4.32 -0.26 1.60 2.32 0.00 -1.26 -4.27 105.19 107.63 1t17 n GLY 58 Ca -0.20 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 1t17 n GLY 58 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1t17 n PHE 59 N -3.86 1.18 0.10 1.61 7.35 -1.26 -3.71 117.46 118.86 1t17 n PHE 59 Ca -0.11 -1.30 0.07 0.00 -0.76 0.00 0.00 57.45 55.35 1t17 n PHE 59 Cb 0.34 -0.65 0.14 0.00 0.35 0.00 0.00 39.48 39.66 1t17 n PHE 59 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1t17 n SER 60 N 0.16 2.74 -0.53 -2.13 7.64 -1.26 -4.94 113.62 115.30 1t17 n SER 60 Ca 0.23 -1.83 -0.07 0.00 1.01 0.00 0.00 58.87 58.21 1t17 n SER 60 Cb 0.79 -0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.79 1t17 n SER 60 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1t17 n PHE 61 N 0.76 -0.01 -3.46 1.43 7.35 -1.24 -4.88 117.46 117.40 1t17 n PHE 61 Ca 0.12 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.60 1t17 n PHE 61 Cb 0.42 -2.42 -0.12 0.00 0.35 0.00 0.00 39.48 37.70 1t17 n PHE 61 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1t17 s LEU 62 N -1.55 0.03 -0.93 -2.13 2.96 -1.26 -5.08 118.68 110.72 1t17 s LEU 62 Ca 0.00 -0.84 -0.24 0.00 -0.22 0.00 0.00 54.13 52.83 1t17 s LEU 62 Cb 0.00 0.21 0.01 0.00 0.50 0.00 0.00 46.19 46.91 1t17 s LEU 62 CO 0.00 -0.39 1.61 -0.60 -1.32 0.00 0.00 176.35 175.65 1t17 s ARG 63 N 2.27 3.18 -0.08 1.98 3.52 -1.26 -4.67 118.95 123.89 1t17 s ARG 63 Ca 0.09 -0.68 -0.06 0.00 -0.13 0.00 0.00 55.73 54.94 1t17 s ARG 63 Cb -0.15 -5.10 0.03 0.00 -1.56 0.00 0.00 34.95 28.16 1t17 s ARG 63 CO -0.30 -2.59 0.20 -1.21 -0.81 0.00 0.00 175.30 170.59 1t17 s GLU 64 N 5.79 0.22 0.07 5.12 2.02 -1.26 -5.06 118.70 125.60 1t17 s GLU 64 Ca 0.54 0.33 0.00 0.00 0.02 0.00 0.00 54.97 55.86 1t17 s GLU 64 Cb -0.04 0.05 -0.04 0.00 0.10 0.00 0.00 34.13 34.21 1t17 s GLU 64 CO -0.03 -0.06 0.22 -1.59 0.02 0.00 0.00 175.26 173.81 1t17 s LYS 65 N 0.38 3.42 -0.01 1.61 -2.85 -1.26 -3.49 119.74 117.54 1t17 s LYS 65 Ca -0.02 -0.47 -0.03 0.00 -1.00 0.00 0.00 55.97 54.44 1t17 s LYS 65 Cb -0.04 -3.02 -0.00 0.00 -2.06 0.00 0.00 37.83 32.71 1t17 s LYS 65 CO -0.02 0.60 0.06 -0.06 0.10 0.00 0.00 175.35 176.03 1t17 s PHE 66 N -1.54 0.03 0.01 1.78 0.08 -0.63 -4.99 117.98 112.72 1t17 s PHE 66 Ca 0.35 -0.05 0.08 0.00 0.12 0.00 0.00 56.93 57.42 1t17 s PHE 66 Cb -0.13 -0.04 -0.02 0.00 -0.57 0.00 0.00 43.02 42.26 1t17 s PHE 66 CO 0.28 -0.13 -0.23 0.00 -0.10 0.00 0.00 175.22 175.03 1t17 s ALA 67 N -0.65 1.98 0.15 5.36 0.00 -1.26 -1.30 121.76 126.02 1t17 s ALA 67 Ca -0.07 -1.08 -0.14 0.00 0.00 0.00 0.00 51.96 50.67 1t17 s ALA 67 Cb -0.05 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1t17 s ALA 67 CO 0.00 0.47 0.38 0.95 0.00 0.00 0.00 175.76 177.56 1t17 s THR 68 N -0.67 0.07 -0.36 0.00 -4.23 0.01 -2.07 115.64 108.40 1t17 s THR 68 Ca 0.09 -0.89 -0.25 0.00 -1.18 0.00 0.00 61.69 59.46 1t17 s THR 68 Cb -0.09 -1.44 0.01 0.00 1.34 0.00 0.00 72.50 72.32 1t17 s THR 68 CO 0.00 -0.31 0.89 -0.60 -0.54 0.00 0.00 174.62 174.06 1t17 s ARG 69 N -3.87 3.84 -0.05 3.99 3.52 0.15 0.20 118.95 126.73 1t17 s ARG 69 Ca 0.08 0.53 -0.10 0.00 -0.13 0.00 0.00 55.73 56.11 1t17 s ARG 69 Cb 0.02 -3.80 -0.05 0.00 -1.56 0.00 0.00 34.95 29.56 1t17 s ARG 69 CO -0.07 -0.91 0.28 0.54 -0.81 0.00 0.00 175.30 174.33 1t17 s VAL 70 N 3.36 5.27 -0.06 7.11 0.11 0.13 -1.50 120.40 134.82 1t17 s VAL 70 Ca 0.36 0.49 -0.01 0.00 -2.93 0.00 0.00 61.98 59.89 1t17 s VAL 70 Cb -0.12 -3.56 0.03 0.00 -1.53 0.00 0.00 36.38 31.20 1t17 s VAL 70 CO 0.18 0.57 0.01 -0.13 -3.33 0.00 0.00 175.10 172.39 1t17 s ARG 71 N -1.14 0.47 0.18 1.54 0.52 0.59 -1.43 118.95 119.68 1t17 s ARG 71 Ca 0.20 0.12 0.11 0.00 -0.52 0.00 0.00 55.73 55.65 1t17 s ARG 71 Cb -0.14 -0.80 -0.04 0.00 0.52 0.00 0.00 34.95 34.49 1t17 s ARG 71 CO 0.10 -0.25 -0.23 -0.98 0.02 0.00 0.00 175.30 173.95 1t17 s ARG 72 N 1.72 1.54 -0.10 3.54 1.70 0.12 -1.44 118.95 126.04 1t17 s ARG 72 Ca 0.01 -1.49 -0.04 0.00 -0.47 0.00 0.00 55.73 53.73 1t17 s ARG 72 Cb -0.13 -1.87 0.05 0.00 -0.57 0.00 0.00 34.95 32.43 1t17 s ARG 72 CO -0.04 0.41 0.21 0.34 -1.08 0.00 0.00 175.30 175.14 1t17 s ASP 73 N -2.61 0.09 0.03 -2.89 3.68 -1.07 -0.12 116.67 113.78 1t17 s ASP 73 Ca 0.20 0.44 0.24 0.00 2.13 0.00 0.00 52.55 55.57 1t17 s ASP 73 Cb -0.08 0.38 0.33 0.00 -1.45 0.00 0.00 42.92 42.10 1t17 s ASP 73 CO 0.10 -0.19 1.28 2.29 0.13 0.00 0.00 175.17 178.78 1t17 n LYS 74 N 4.66 0.11 0.04 4.34 -0.00 0.54 -0.07 118.16 127.79 1t17 n LYS 74 Ca -0.18 0.02 0.04 0.00 -0.00 0.00 0.00 58.31 58.19 1t17 n LYS 74 Cb 0.51 -1.55 -0.07 0.00 -0.00 0.00 0.00 35.03 33.92 1t17 n LYS 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1t17 n ASP 75 N -1.71 0.72 -0.03 -5.58 8.00 -1.20 -4.19 116.55 112.56 1t17 n ASP 75 Ca 0.04 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.85 1t17 n ASP 75 Cb 0.37 0.49 -0.09 0.00 -0.02 0.00 0.00 41.12 41.87 1t17 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1t17 n ALA 76 N -2.33 2.09 -3.36 2.24 0.00 -1.24 -5.01 120.51 112.89 1t17 n ALA 76 Ca -0.07 -0.52 -0.20 0.00 0.00 0.00 0.00 53.44 52.64 1t17 n ALA 76 Cb 0.74 -0.21 0.06 0.00 0.00 0.00 0.00 19.45 20.04 1t17 n ALA 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1t17 n ARG 77 N -2.17 -6.46 -4.29 0.00 0.63 0.90 -4.95 116.66 100.33 1t17 n ARG 77 Ca -0.10 0.72 -0.16 0.00 -0.92 0.00 0.00 57.85 57.38 1t17 n ARG 77 Cb 0.59 -5.38 -0.10 0.00 0.45 0.00 0.00 32.46 28.02 1t17 n ARG 77 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1t17 s SER 78 N -3.20 2.10 -0.01 6.15 0.01 -1.17 -3.51 113.70 114.07 1t17 s SER 78 Ca 0.47 -1.02 0.03 0.00 1.31 0.00 0.00 55.95 56.74 1t17 s SER 78 Cb -0.21 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 65.96 1t17 s SER 78 CO 0.58 -0.27 -0.11 -0.63 0.41 0.00 0.00 173.24 173.22 1t17 s ILE 79 N -3.19 0.87 -0.02 1.44 -1.09 -0.23 -2.61 121.20 116.38 1t17 s ILE 79 Ca 0.19 -0.46 -0.02 0.00 -2.23 0.00 0.00 60.65 58.14 1t17 s ILE 79 Cb 0.01 -0.74 0.01 0.00 -1.58 0.00 0.00 42.46 40.16 1t17 s ILE 79 CO 0.03 0.25 0.05 -0.62 -1.23 0.00 0.00 174.94 173.42 1t17 s ASP 80 N -0.16 -0.05 -0.03 3.58 2.15 -0.52 -1.28 116.67 120.37 1t17 s ASP 80 Ca 0.02 0.09 0.01 0.00 0.43 0.00 0.00 52.55 53.11 1t17 s ASP 80 Cb -0.05 0.09 0.01 0.00 -0.30 0.00 0.00 42.92 42.67 1t17 s ASP 80 CO -0.00 -0.02 -0.03 -0.69 -0.17 0.00 0.00 175.17 174.26 1t17 s VAL 81 N 0.06 0.37 0.20 1.11 1.01 0.88 -0.30 120.40 123.73 1t17 s VAL 81 Ca -0.00 -0.08 0.10 0.00 0.00 0.00 0.00 61.98 61.99 1t17 s VAL 81 Cb -0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1t17 s VAL 81 CO -0.00 0.16 -0.19 -0.44 0.00 0.00 0.00 175.10 174.63 1t17 s SER 82 N 0.59 3.04 0.25 3.32 0.01 -0.56 -1.33 113.70 119.01 1t17 s SER 82 Ca -0.07 -0.93 -0.30 0.00 1.31 0.00 0.00 55.95 55.97 1t17 s SER 82 Cb -0.10 -0.21 -0.10 0.00 0.21 0.00 0.00 66.02 65.83 1t17 s SER 82 CO -0.01 -0.01 1.33 -0.22 0.41 0.00 0.00 173.24 174.75 1t17 s LEU 83 N -2.97 4.42 0.09 2.44 2.96 -1.20 -0.68 118.68 123.74 1t17 s LEU 83 Ca 0.21 2.54 0.00 0.00 -0.22 0.00 0.00 54.13 56.66 1t17 s LEU 83 Cb -0.05 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1t17 s LEU 83 CO 0.09 -0.56 0.00 -0.11 -1.32 0.00 0.00 176.35 174.46 1t17 n LEU 84 N 2.03 0.53 0.00 -0.68 7.94 -1.22 -4.72 117.00 120.89 1t17 n LEU 84 Ca 0.04 0.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.08 1t17 n LEU 84 Cb 0.42 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.26 1t17 n LEU 84 CO 0.59 -0.53 0.08 -1.22 -1.11 0.00 0.00 177.39 175.20 1t17 n TYR 85 N -3.28 0.00 0.00 1.96 4.02 -1.03 -5.02 117.16 113.81 1t17 n TYR 85 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1t17 n TYR 85 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 1t17 n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1t17 n GLY 86 N 0.18 -3.16 3.58 2.72 0.00 -0.88 -4.74 105.19 102.90 1t17 n GLY 86 Ca 0.00 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 1t17 n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1t17 s PRO 87 N 0.00 3.35 -0.46 1.61 0.04 -1.26 -4.89 135.00 133.40 1t17 s PRO 87 Ca 0.00 0.69 -0.20 0.00 0.04 0.00 0.00 61.00 61.53 1t17 s PRO 87 Cb 0.00 -4.11 -0.19 0.00 0.04 0.00 0.00 34.50 30.24 1t17 s PRO 87 CO 0.00 -1.85 1.73 1.19 0.04 0.00 0.00 177.00 178.11 1t17 n PHE 88 N 9.56 0.98 0.00 0.56 3.01 -1.26 -2.91 117.46 127.40 1t17 n PHE 88 Ca 0.15 -1.26 0.00 0.00 1.01 0.00 0.00 57.45 57.35 1t17 n PHE 88 Cb 0.49 -1.27 0.00 0.00 -0.01 0.00 0.00 39.48 38.69 1t17 n PHE 88 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1t17 n LYS 89 N 6.64 0.00 0.00 -1.08 0.00 -1.26 -5.13 118.16 117.32 1t17 n LYS 89 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.73 1t17 n LYS 89 Cb 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 35.03 35.27 1t17 n LYS 89 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1t17 n ARG 90 N -2.25 0.00 -3.64 1.64 0.63 -1.14 -5.01 116.66 106.89 1t17 n ARG 90 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 1t17 n ARG 90 Cb 0.00 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.84 1t17 n ARG 90 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1t17 s LEU 91 N 0.00 -0.63 -0.13 6.15 2.96 -1.26 -0.52 118.68 125.25 1t17 s LEU 91 Ca 0.00 1.14 -0.29 0.00 -0.22 0.00 0.00 54.13 54.76 1t17 s LEU 91 Cb 0.00 2.11 0.08 0.00 0.50 0.00 0.00 46.19 48.88 1t17 s LEU 91 CO 0.00 -0.19 0.75 0.20 -1.32 0.00 0.00 176.35 175.79 1t17 s ASN 92 N 0.71 -0.63 0.03 3.68 0.01 0.51 -3.22 114.94 116.03 1t17 s ASN 92 Ca -0.02 0.86 -0.05 0.00 -0.71 0.00 0.00 52.86 52.94 1t17 s ASN 92 Cb -0.05 0.75 -0.01 0.00 0.41 0.00 0.00 41.25 42.35 1t17 s ASN 92 CO -0.08 -0.47 0.09 0.21 -1.51 0.00 0.00 177.10 175.34 1t17 s ASN 93 N -0.73 0.16 -0.20 -1.22 3.84 -0.44 -1.30 114.94 115.03 1t17 s ASN 93 Ca -0.07 -0.48 -0.26 0.00 0.21 0.00 0.00 52.86 52.27 1t17 s ASN 93 Cb -0.02 0.21 0.07 0.00 -0.55 0.00 0.00 41.25 40.97 1t17 s ASN 93 CO 0.06 -0.47 0.69 -0.83 -2.79 0.00 0.00 177.10 173.76 1t17 s GLY 94 N -1.96 -0.53 -0.23 1.21 0.00 -1.01 -0.08 107.32 104.72 1t17 s GLY 94 Ca -0.07 1.78 -0.01 0.00 0.00 0.00 0.00 44.72 46.41 1t17 s GLY 94 CO -0.03 1.49 0.02 -0.98 0.00 0.00 0.00 173.10 173.59 1t17 s TRP 95 N -0.05 1.58 -0.00 1.90 0.52 -0.40 -1.83 118.94 120.65 1t17 s TRP 95 Ca -0.03 -1.30 -0.03 0.00 0.02 0.00 0.00 56.10 54.76 1t17 s TRP 95 Cb -0.04 -1.33 -0.04 0.00 -1.15 0.00 0.00 33.47 30.91 1t17 s TRP 95 CO 0.03 -0.71 0.19 1.03 0.02 0.00 0.00 176.95 177.51 1t17 s ARG 96 N 1.67 3.44 -0.26 4.98 1.81 -0.33 -1.06 118.95 129.20 1t17 s ARG 96 Ca -0.00 -0.33 -0.03 0.00 -1.72 0.00 0.00 55.73 53.65 1t17 s ARG 96 Cb -0.18 -3.09 0.10 0.00 -0.45 0.00 0.00 34.95 31.33 1t17 s ARG 96 CO -0.10 0.67 0.18 -0.06 -0.68 0.00 0.00 175.30 175.31 1t17 s PHE 97 N -1.34 -0.01 0.00 -0.53 0.08 -1.23 -1.22 117.98 113.72 1t17 s PHE 97 Ca 0.28 -0.41 0.03 0.00 0.12 0.00 0.00 56.93 56.95 1t17 s PHE 97 Cb -0.13 -0.66 -0.01 0.00 -0.57 0.00 0.00 43.02 41.66 1t17 s PHE 97 CO 0.19 -0.76 -0.10 -1.64 -0.10 0.00 0.00 175.22 172.81 1t17 s MET 98 N 2.22 0.79 0.51 0.44 -1.94 -1.00 -4.86 119.30 115.46 1t17 s MET 98 Ca 0.08 -0.42 -0.19 0.00 -1.71 0.00 0.00 55.69 53.45 1t17 s MET 98 Cb -0.15 -0.76 -0.07 0.00 2.01 0.00 0.00 34.83 35.85 1t17 s MET 98 CO -0.27 0.20 1.04 -1.25 -0.01 0.00 0.00 175.02 174.73 1t17 s PRO 99 N -0.41 3.69 -0.48 2.03 0.04 -1.26 -1.68 135.00 136.93 1t17 s PRO 99 Ca 0.03 1.31 0.06 0.00 0.04 0.00 0.00 61.00 62.44 1t17 s PRO 99 Cb -0.05 -2.08 0.19 0.00 0.04 0.00 0.00 34.50 32.60 1t17 s PRO 99 CO -0.00 -0.51 0.61 0.39 0.04 0.00 0.00 177.00 177.52 1t17 n GLU 100 N -1.24 0.45 0.00 4.56 1.02 -0.57 -4.85 120.64 120.01 1t17 n GLU 100 Ca 0.09 -2.42 0.00 0.00 -0.02 0.00 0.00 57.16 54.81 1t17 n GLU 100 Cb 0.53 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1t17 n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t17 n GLY 101 N 2.78 0.95 0.09 0.62 0.00 -1.26 -3.97 105.19 104.39 1t17 n GLY 101 Ca 0.21 -1.21 0.11 0.00 0.00 0.00 0.00 46.02 45.14 1t17 n GLY 101 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1t17 n ASP 102 N 1.27 0.69 -4.68 1.61 5.68 -1.26 -4.92 116.55 114.93 1t17 n ASP 102 Ca 0.00 0.21 -0.25 0.00 -0.50 0.00 0.00 54.79 54.26 1t17 n ASP 102 Cb 0.00 0.70 -0.08 0.00 -1.14 0.00 0.00 41.12 40.60 1t17 n ASP 102 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1t17 s ALA 103 N -3.36 3.38 0.08 2.12 0.00 -1.25 -4.53 121.76 118.19 1t17 s ALA 103 Ca -0.01 -2.06 0.08 0.00 0.00 0.00 0.00 51.96 49.97 1t17 s ALA 103 Cb 0.11 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1t17 s ALA 103 CO 0.81 -0.06 -0.19 -0.08 0.00 0.00 0.00 175.76 176.24 1t17 s THR 104 N -2.57 2.76 -0.05 0.00 -1.32 -0.47 -1.51 115.64 112.48 1t17 s THR 104 Ca 0.38 -1.37 0.02 0.00 -1.21 0.00 0.00 61.69 59.51 1t17 s THR 104 Cb 0.03 -2.21 -0.03 0.00 -1.51 0.00 0.00 72.50 68.78 1t17 s THR 104 CO 0.21 0.22 -0.11 0.00 -2.21 0.00 0.00 174.62 172.73 1t17 s ARG 105 N -1.78 2.60 -0.10 7.08 1.04 -0.68 -0.03 118.95 127.07 1t17 s ARG 105 Ca 0.16 -0.64 0.03 0.00 -1.04 0.00 0.00 55.73 54.24 1t17 s ARG 105 Cb -0.10 -2.47 -0.01 0.00 -2.04 0.00 0.00 34.95 30.33 1t17 s ARG 105 CO 0.07 0.64 -0.21 0.08 -0.04 0.00 0.00 175.30 175.84 1t17 s VAL 106 N -0.79 2.33 -0.26 4.99 1.01 0.39 -2.38 120.40 125.70 1t17 s VAL 106 Ca 0.12 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 1t17 s VAL 106 Cb -0.11 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1t17 s VAL 106 CO 0.01 0.55 0.10 -1.61 0.00 0.00 0.00 175.10 174.16 1t17 s GLU 107 N 0.23 3.66 -0.37 2.72 2.02 -0.36 -2.00 118.70 124.59 1t17 s GLU 107 Ca -0.14 -0.49 -0.07 0.00 0.02 0.00 0.00 54.97 54.30 1t17 s GLU 107 Cb -0.17 -3.41 0.06 0.00 0.10 0.00 0.00 34.13 30.72 1t17 s GLU 107 CO 0.07 -0.22 0.17 -0.06 0.02 0.00 0.00 175.26 175.24 1t17 s PHE 108 N 1.64 3.32 -0.31 1.61 0.40 0.23 -1.19 117.98 123.68 1t17 s PHE 108 Ca 0.06 -1.59 -0.11 0.00 -0.60 0.00 0.00 56.93 54.69 1t17 s PHE 108 Cb -0.15 -2.63 -0.02 0.00 0.51 0.00 0.00 43.02 40.72 1t17 s PHE 108 CO 0.05 -0.80 0.19 0.14 0.70 0.00 0.00 175.22 175.49 1t17 s VAL 109 N 1.37 5.00 -0.23 -0.44 -7.23 -0.76 -1.52 120.40 116.59 1t17 s VAL 109 Ca 0.01 -0.18 -0.00 0.00 -1.81 0.00 0.00 61.98 59.99 1t17 s VAL 109 Cb -0.21 -3.50 0.03 0.00 0.56 0.00 0.00 36.38 33.26 1t17 s VAL 109 CO 0.02 0.11 -0.10 0.27 -0.31 0.00 0.00 175.10 175.08 1t17 s ILE 110 N 1.69 2.58 -0.21 -0.62 -5.25 -0.63 -2.39 121.20 116.36 1t17 s ILE 110 Ca 0.06 -1.08 -0.03 0.00 -0.99 0.00 0.00 60.65 58.61 1t17 s ILE 110 Cb -0.17 -2.28 0.07 0.00 2.95 0.00 0.00 42.46 43.03 1t17 s ILE 110 CO 0.09 0.26 0.07 -1.61 -1.79 0.00 0.00 174.94 171.95 1t17 s GLU 111 N 1.29 0.48 0.05 0.37 2.02 -0.42 -0.56 118.70 121.92 1t17 s GLU 111 Ca 0.00 -0.44 -0.05 0.00 0.02 0.00 0.00 54.97 54.50 1t17 s GLU 111 Cb -0.16 -1.93 -0.02 0.00 0.10 0.00 0.00 34.13 32.12 1t17 s GLU 111 CO -0.07 -0.73 0.08 -0.06 0.02 0.00 0.00 175.26 174.51 1t17 s PHE 112 N 1.92 0.25 -0.15 1.61 0.08 -1.13 0.19 117.98 120.76 1t17 s PHE 112 Ca 0.02 -0.63 0.02 0.00 0.12 0.00 0.00 56.93 56.46 1t17 s PHE 112 Cb -0.17 -0.18 0.01 0.00 -0.57 0.00 0.00 43.02 42.12 1t17 s PHE 112 CO -0.14 -0.39 -0.21 0.00 -0.10 0.00 0.00 175.22 174.38 1t17 s ALA 113 N -3.05 2.28 0.60 5.36 0.00 0.33 -3.27 121.76 124.00 1t17 s ALA 113 Ca -0.01 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.85 1t17 s ALA 113 Cb 0.01 -1.05 0.07 0.00 0.00 0.00 0.00 23.12 22.16 1t17 s ALA 113 CO -0.07 -0.11 0.83 -0.06 0.00 0.00 0.00 175.76 176.35 1t17 s PHE 114 N 0.93 2.20 -0.15 0.00 0.08 -1.26 -4.79 117.98 115.00 1t17 s PHE 114 Ca -0.04 -0.25 -0.18 0.00 0.12 0.00 0.00 56.93 56.58 1t17 s PHE 114 Cb -0.15 -2.71 -0.15 0.00 -0.57 0.00 0.00 43.02 39.44 1t17 s PHE 114 CO -0.05 -1.15 0.31 0.87 -0.10 0.00 0.00 175.22 175.10 1t17 h LYS 115 N -0.06 0.00 -5.80 0.44 6.56 -2.00 -3.44 116.57 112.27 1t17 h LYS 115 Ca -0.38 0.00 -0.60 0.00 -1.06 0.00 0.00 60.65 58.61 1t17 h LYS 115 Cb 1.28 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 32.85 1t17 h LYS 115 CO 0.46 0.63 0.44 -1.12 -2.06 0.00 0.00 179.45 177.79 1t17 s SER 116 N -6.16 6.73 0.51 0.86 0.01 -1.26 -4.91 113.70 109.48 1t17 s SER 116 Ca -0.17 0.80 0.23 0.00 1.31 0.00 0.00 55.95 58.13 1t17 s SER 116 Cb 0.01 -2.42 1.32 0.00 0.21 0.00 0.00 66.02 65.14 1t17 s SER 116 CO 0.44 -0.59 1.98 0.00 0.41 0.00 0.00 173.24 175.47 1t17 h ALA 117 N 7.98 2.43 0.11 1.44 0.00 -1.99 0.68 119.26 129.91 1t17 h ALA 117 Ca -0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1t17 h ALA 117 Cb 1.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1t17 h ALA 117 CO 0.89 -0.59 -0.05 -0.07 0.00 0.00 0.00 179.25 179.42 1t17 h LEU 118 N 0.09 -0.13 -1.88 0.00 -0.00 -1.99 -2.86 115.31 108.54 1t17 h LEU 118 Ca 0.28 -0.36 -0.03 0.00 -0.00 0.00 0.00 57.88 57.78 1t17 h LEU 118 Cb 0.99 0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.68 1t17 h LEU 118 CO -0.03 0.31 -0.12 -0.07 -0.00 0.00 0.00 178.44 178.53 1t17 h LEU 119 N -0.60 0.00 0.00 1.67 3.38 -1.50 0.73 115.31 118.99 1t17 h LEU 119 Ca -0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1t17 h LEU 119 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1t17 h LEU 119 CO 0.03 0.12 -0.07 -0.78 0.09 0.00 0.00 178.44 177.83 1t17 h ASP 120 N 0.00 -0.21 0.20 -0.43 1.82 0.50 1.12 116.42 119.43 1t17 h ASP 120 Ca -0.00 0.03 -0.26 0.00 -0.39 0.00 0.00 57.03 56.41 1t17 h ASP 120 Cb 0.35 0.09 0.01 0.00 0.68 0.00 0.00 39.33 40.46 1t17 h ASP 120 CO 0.02 -0.11 -1.07 0.00 -1.61 0.00 0.00 179.24 176.47 1t17 h ALA 121 N 0.86 0.18 -0.19 -0.78 0.00 -1.27 0.15 119.26 118.22 1t17 h ALA 121 Ca 0.03 -0.73 0.01 0.00 0.00 0.00 0.00 54.91 54.21 1t17 h ALA 121 Cb 0.16 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1t17 h ALA 121 CO -0.07 0.76 0.10 1.98 0.00 0.00 0.00 179.25 182.02 1t17 h MET 122 N 0.29 0.21 -0.01 0.00 4.05 -0.57 0.83 114.93 119.72 1t17 h MET 122 Ca -0.13 -0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.20 1t17 h MET 122 Cb 1.72 -0.05 0.01 0.00 -0.80 0.00 0.00 31.60 32.48 1t17 h MET 122 CO 0.20 0.14 -0.32 -0.07 0.23 0.00 0.00 176.91 177.09 1t17 h LEU 123 N 0.22 0.30 -0.73 3.39 3.38 0.12 -2.56 115.31 119.43 1t17 h LEU 123 Ca 0.07 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1t17 h LEU 123 Cb 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1t17 h LEU 123 CO -0.04 1.00 0.00 0.00 0.09 0.00 0.00 178.44 179.49 1t17 n ALA 124 N -2.54 1.26 -0.07 1.53 0.00 0.54 0.15 120.51 121.38 1t17 n ALA 124 Ca -0.10 0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 1t17 n ALA 124 Cb 0.53 -1.25 -0.08 0.00 0.00 0.00 0.00 19.45 18.65 1t17 n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t17 h ALA 125 N 2.13 0.05 0.00 0.00 0.00 0.87 -3.32 119.26 118.99 1t17 h ALA 125 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1t17 h ALA 125 Cb 0.12 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1t17 h ALA 125 CO 0.00 0.20 0.00 0.27 0.00 0.00 0.00 179.25 179.72 1t17 n ASN 126 N -4.62 0.74 -0.27 0.00 0.23 -0.90 -3.09 115.26 107.36 1t17 n ASN 126 Ca -0.11 0.66 0.08 0.00 -0.53 0.00 0.00 54.58 54.67 1t17 n ASN 126 Cb 0.36 -0.82 0.21 0.00 -2.08 0.00 0.00 39.78 37.44 1t17 n ASN 126 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1t17 h VAL 127 N 0.00 0.42 -0.76 3.53 3.04 -0.39 0.72 116.25 122.81 1t17 h VAL 127 Ca 0.00 -0.08 0.01 0.00 -1.01 0.00 0.00 66.70 65.62 1t17 h VAL 127 Cb 0.45 0.18 -0.04 0.00 -2.01 0.00 0.00 31.29 29.87 1t17 h VAL 127 CO 0.00 0.04 0.50 -0.78 -1.01 0.00 0.00 177.57 176.32 1t17 h ASP 128 N 0.22 0.88 0.08 3.17 3.58 -1.73 0.04 116.42 122.67 1t17 h ASP 128 Ca 0.46 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.87 1t17 h ASP 128 Cb 0.83 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.66 1t17 h ASP 128 CO -0.58 0.65 -0.04 0.03 -2.88 0.00 0.00 179.24 176.41 1t17 h ARG 129 N 1.03 -0.11 -0.88 0.28 2.47 0.07 0.30 114.38 117.55 1t17 h ARG 129 Ca 0.28 0.01 0.09 0.00 -1.26 0.00 0.00 59.98 59.09 1t17 h ARG 129 Cb -0.11 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.18 1t17 h ARG 129 CO -0.06 -0.04 0.57 0.00 0.56 0.00 0.00 179.97 181.01 1t17 h ALA 130 N 0.77 1.62 0.00 0.04 0.00 -0.08 0.36 119.26 121.96 1t17 h ALA 130 Ca -0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1t17 h ALA 130 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1t17 h ALA 130 CO 0.02 0.21 -0.52 0.00 0.00 0.00 0.00 179.25 178.97 1t17 h ALA 131 N 1.55 1.07 -0.14 0.00 0.00 -0.37 -0.14 119.26 121.22 1t17 h ALA 131 Ca 0.40 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1t17 h ALA 131 Cb 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1t17 h ALA 131 CO -0.17 0.65 -0.40 0.78 0.00 0.00 0.00 179.25 180.11 1t17 h GLY 132 N 1.72 0.58 1.68 0.00 0.00 0.33 0.65 103.07 108.03 1t17 h GLY 132 Ca -0.01 -0.73 -0.14 0.00 0.00 0.00 0.00 47.33 46.45 1t17 h GLY 132 CO 0.07 0.66 -0.54 0.07 0.00 0.00 0.00 176.54 176.79 1t17 h LYS 133 N 0.15 0.34 -0.31 4.80 5.09 -0.56 -0.62 116.57 125.45 1t17 h LYS 133 Ca -0.01 -0.21 -0.17 0.00 0.09 0.00 0.00 60.65 60.35 1t17 h LYS 133 Cb 1.02 0.02 -0.00 0.00 0.10 0.00 0.00 32.23 33.37 1t17 h LYS 133 CO 0.09 0.79 -0.49 1.25 -2.09 0.00 0.00 179.45 179.00 1t17 h LEU 134 N 0.26 0.95 -0.73 7.07 5.85 -0.99 0.63 115.31 128.34 1t17 h LEU 134 Ca 0.01 -0.48 -0.11 0.00 0.84 0.00 0.00 57.88 58.14 1t17 h LEU 134 Cb 1.03 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1t17 h LEU 134 CO 0.09 1.27 -0.21 0.40 -0.34 0.00 0.00 178.44 179.65 1t17 h ILE 135 N 0.68 1.27 -0.04 4.05 2.04 -0.69 -1.34 117.51 123.48 1t17 h ILE 135 Ca 0.03 -1.30 -0.13 0.00 1.00 0.00 0.00 64.86 64.45 1t17 h ILE 135 Cb 1.08 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1t17 h ILE 135 CO 0.11 0.44 -0.58 0.00 0.00 0.00 0.00 178.15 178.11 1t17 h ALA 136 N 1.11 0.94 0.13 1.87 0.00 -0.95 -0.17 119.26 122.20 1t17 h ALA 136 Ca 0.10 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1t17 h ALA 136 Cb 0.71 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1t17 h ALA 136 CO 0.05 0.72 -0.06 0.00 0.00 0.00 0.00 179.25 179.96 1t17 h PHE 138 N -0.42 0.89 0.17 0.00 3.57 -1.19 0.49 116.94 120.46 1t17 h PHE 138 Ca -0.02 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1t17 h PHE 138 Cb 0.34 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1t17 h PHE 138 CO 0.00 0.70 -0.08 1.49 -2.23 0.00 0.00 178.31 178.19 1t17 h GLU 139 N 0.83 -0.22 -0.66 1.11 4.81 -0.92 0.39 114.58 119.92 1t17 h GLU 139 Ca 0.20 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1t17 h GLU 139 Cb 0.16 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1t17 h GLU 139 CO -0.02 -0.14 0.41 0.00 -0.73 0.00 0.00 179.01 178.53 1t17 h ALA 140 N 0.58 0.86 -0.42 2.92 0.00 -0.47 -0.26 119.26 122.49 1t17 h ALA 140 Ca -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1t17 h ALA 140 Cb 0.19 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1t17 h ALA 140 CO 0.04 0.16 0.09 0.00 0.00 0.00 0.00 179.25 179.54 1t17 h ARG 141 N 0.79 0.62 -0.43 0.00 2.47 -0.52 0.40 114.38 117.72 1t17 h ARG 141 Ca 0.27 -0.11 -0.05 0.00 -1.26 0.00 0.00 59.98 58.83 1t17 h ARG 141 Cb 0.04 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.24 1t17 h ARG 141 CO -0.11 0.57 0.08 0.00 0.56 0.00 0.00 179.97 181.07 1t17 h ALA 142 N 1.50 0.56 -0.06 0.04 0.00 0.12 0.60 119.26 122.03 1t17 h ALA 142 Ca 0.14 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1t17 h ALA 142 Cb 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1t17 h ALA 142 CO -0.00 0.27 -0.62 0.37 0.00 0.00 0.00 179.25 179.27 1t17 h GLN 143 N 0.56 0.22 -0.43 0.00 4.15 -0.54 -0.33 115.11 118.74 1t17 h GLN 143 Ca 0.13 -0.16 -0.11 0.00 0.77 0.00 0.00 58.65 59.28 1t17 h GLN 143 Cb 0.35 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 1t17 h GLN 143 CO 0.01 0.77 -0.19 0.37 -1.93 0.00 0.00 178.83 177.86 1t17 h GLN 144 N 0.16 0.83 0.15 1.69 4.15 0.11 1.24 115.11 123.44 1t17 h GLN 144 Ca -0.01 -0.33 -0.01 0.00 0.77 0.00 0.00 58.65 59.08 1t17 h GLN 144 Cb 1.13 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.78 1t17 h GLN 144 CO 0.09 0.96 -0.07 1.25 -1.93 0.00 0.00 178.83 179.13 1t17 h LEU 145 N 0.73 -0.17 -1.91 -2.39 6.46 -0.76 -3.20 115.31 114.06 1t17 h LEU 145 Ca 0.11 -0.34 -0.02 0.00 -0.12 0.00 0.00 57.88 57.50 1t17 h LEU 145 Cb 0.71 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.68 1t17 h LEU 145 CO 0.05 0.41 -0.11 0.45 -0.62 0.00 0.00 178.44 178.62 1t17 h HIS 146 N -0.92 0.00 -0.58 1.25 3.86 -1.08 -2.02 115.15 115.66 1t17 h HIS 146 Ca -0.02 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.85 1t17 h HIS 146 Cb 0.50 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 28.79 1t17 h HIS 146 CO 0.09 0.11 0.43 0.41 0.86 0.00 0.00 177.93 179.83 1t17 n GLY 147 N -0.66 3.85 0.00 2.45 0.00 0.42 -5.05 105.19 106.21 1t17 n GLY 147 Ca -0.02 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1t17 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32