#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 1.53 0.02 2.03 4.02 -1.12 -4.93 115.29 116.84 1t17 s HIS 2 Ca 0.00 -0.11 0.02 0.00 1.02 0.00 0.00 55.06 55.99 1t17 s HIS 2 Cb 0.00 -4.10 -0.01 0.00 -1.02 0.00 0.00 32.58 27.44 1t17 s HIS 2 CO 0.00 -4.76 -0.07 0.50 1.02 0.00 0.00 174.74 171.43 1t17 s ARG 3 N 4.52 0.50 -0.01 1.40 3.52 -1.26 -2.10 118.95 125.51 1t17 s ARG 3 Ca 0.84 -0.50 0.01 0.00 -0.13 0.00 0.00 55.73 55.95 1t17 s ARG 3 Cb -0.38 -0.38 0.00 0.00 -1.56 0.00 0.00 34.95 32.64 1t17 s ARG 3 CO 0.37 0.09 -0.03 -1.01 -0.81 0.00 0.00 175.30 173.90 1t17 s HIS 4 N -0.78 0.37 -0.00 5.12 3.76 -0.75 -5.03 115.29 117.98 1t17 s HIS 4 Ca -0.04 -0.06 0.04 0.00 -0.15 0.00 0.00 55.06 54.84 1t17 s HIS 4 Cb -0.06 -0.29 -0.03 0.00 1.11 0.00 0.00 32.58 33.30 1t17 s HIS 4 CO 0.00 -0.04 -0.09 0.08 -0.85 0.00 0.00 174.74 173.84 1t17 s VAL 5 N 0.19 3.48 -0.03 -0.90 1.01 -1.26 -1.71 120.40 121.18 1t17 s VAL 5 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1t17 s VAL 5 Cb -0.05 -2.49 0.03 0.00 0.00 0.00 0.00 36.38 33.87 1t17 s VAL 5 CO -0.00 0.41 0.02 -0.69 0.00 0.00 0.00 175.10 174.84 1t17 s VAL 6 N -0.95 0.07 -0.21 2.92 1.01 0.51 -5.00 120.40 118.75 1t17 s VAL 6 Ca 0.16 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.31 1t17 s VAL 6 Cb -0.11 -0.20 0.05 0.00 0.00 0.00 0.00 36.38 36.12 1t17 s VAL 6 CO 0.06 0.13 -0.10 -0.89 0.00 0.00 0.00 175.10 174.30 1t17 s THR 7 N 1.13 1.67 0.24 3.92 2.01 -1.26 0.08 115.64 123.42 1t17 s THR 7 Ca -0.08 -1.08 0.11 0.00 0.31 0.00 0.00 61.69 60.95 1t17 s THR 7 Cb -0.13 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.56 1t17 s THR 7 CO -0.02 0.12 -0.21 -1.59 -0.69 0.00 0.00 174.62 172.23 1t17 s LYS 8 N 1.37 1.58 -0.06 4.92 -2.85 -0.89 -4.98 119.74 118.84 1t17 s LYS 8 Ca -0.02 -1.66 0.01 0.00 -1.00 0.00 0.00 55.97 53.30 1t17 s LYS 8 Cb -0.17 -1.72 0.02 0.00 -2.06 0.00 0.00 37.83 33.90 1t17 s LYS 8 CO -0.08 0.34 -0.08 0.08 0.10 0.00 0.00 175.35 175.71 1t17 s VAL 9 N -2.26 0.81 -0.15 1.79 1.01 -1.26 -0.29 120.40 120.05 1t17 s VAL 9 Ca 0.26 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1t17 s VAL 9 Cb -0.06 -0.79 0.04 0.00 0.00 0.00 0.00 36.38 35.58 1t17 s VAL 9 CO 0.12 0.29 -0.01 -0.76 0.00 0.00 0.00 175.10 174.74 1t17 s LEU 10 N 0.92 1.24 -1.22 3.92 1.43 0.17 -4.93 118.68 120.22 1t17 s LEU 10 Ca -0.11 -0.58 -0.08 0.00 -1.03 0.00 0.00 54.13 52.34 1t17 s LEU 10 Cb -0.15 -0.70 -0.07 0.00 0.03 0.00 0.00 46.19 45.30 1t17 s LEU 10 CO 0.01 -0.23 2.47 -0.81 0.23 0.00 0.00 176.35 178.02 1t17 n PRO 11 N 4.99 2.77 -4.46 1.29 -0.04 -1.26 -1.60 135.00 136.68 1t17 n PRO 11 Ca -0.10 -1.79 -0.23 0.00 -0.04 0.00 0.00 63.50 61.34 1t17 n PRO 11 Cb 0.48 -2.61 -0.10 0.00 -0.04 0.00 0.00 33.50 31.23 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 2.91 2.17 0.98 0.54 2.02 -1.26 -4.93 117.35 119.78 1t17 s TYR 12 Ca 0.53 -0.48 -0.13 0.00 -0.37 0.00 0.00 57.07 56.61 1t17 s TYR 12 Cb 0.14 -1.09 0.07 0.00 -0.40 0.00 0.00 41.96 40.67 1t17 s TYR 12 CO -0.04 0.55 0.47 0.25 -1.57 0.00 0.00 175.55 175.21 1t17 n THR 13 N -0.63 0.00 1.23 -0.71 -2.24 -1.26 -4.64 114.28 106.03 1t17 n THR 13 Ca -0.06 -0.19 0.11 0.00 -2.27 0.00 0.00 64.05 61.65 1t17 n THR 13 Cb 0.62 -0.68 0.62 0.00 -2.10 0.00 0.00 70.33 68.78 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 -2.23 0.48 -0.03 -0.78 -0.04 -1.26 -3.03 135.00 128.11 1t17 n PRO 14 Ca 0.06 0.05 -0.15 0.00 -0.04 0.00 0.00 63.50 63.42 1t17 n PRO 14 Cb 0.55 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.40 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 0.26 -0.33 3.54 3.58 -2.02 -3.07 116.42 118.38 1t17 h ASP 15 Ca 0.00 -0.73 0.10 0.00 0.42 0.00 0.00 57.03 56.82 1t17 h ASP 15 Cb 0.14 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1t17 h ASP 15 CO 0.00 0.95 0.43 1.56 -2.88 0.00 0.00 179.24 179.31 1t17 h GLN 16 N -0.40 0.00 -0.32 0.28 1.08 -1.89 0.37 115.11 114.22 1t17 h GLN 16 Ca -0.03 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.09 1t17 h GLN 16 Cb 0.98 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.40 1t17 h GLN 16 CO 0.05 0.00 -0.12 -0.07 -0.95 0.00 0.00 178.83 177.74 1t17 h LEU 17 N 0.00 0.67 -1.42 1.46 3.38 -1.69 -2.83 115.31 114.88 1t17 h LEU 17 Ca 0.16 -0.39 0.37 0.00 0.09 0.00 0.00 57.88 58.10 1t17 h LEU 17 Cb 1.02 -0.18 -0.11 0.00 0.09 0.00 0.00 40.66 41.47 1t17 h LEU 17 CO -0.00 0.91 0.78 0.15 0.09 0.00 0.00 178.44 180.37 1t17 h PHE 18 N 0.42 0.55 0.01 1.13 3.57 -0.30 1.69 116.94 124.01 1t17 h PHE 18 Ca 0.08 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.39 1t17 h PHE 18 Cb 0.64 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1t17 h PHE 18 CO 0.06 -0.09 -0.91 0.93 -2.23 0.00 0.00 178.31 176.06 1t17 h GLU 19 N 0.20 0.20 -0.11 1.11 5.08 -1.55 -2.40 114.58 117.11 1t17 h GLU 19 Ca 0.72 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.74 1t17 h GLU 19 Cb 2.15 0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.48 1t17 h GLU 19 CO -0.35 0.98 -0.35 -0.07 -1.00 0.00 0.00 179.01 178.22 1t17 h LEU 20 N 0.11 0.50 -0.84 1.33 3.38 0.22 0.99 115.31 121.00 1t17 h LEU 20 Ca -0.05 -0.61 0.03 0.00 0.09 0.00 0.00 57.88 57.34 1t17 h LEU 20 Cb 1.56 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 42.12 1t17 h LEU 20 CO 0.14 1.02 0.55 0.58 0.09 0.00 0.00 178.44 180.82 1t17 h VAL 21 N 0.01 1.16 -0.51 1.22 2.07 0.43 -1.54 116.25 119.09 1t17 h VAL 21 Ca -0.01 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 1t17 h VAL 21 Cb 0.98 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 1t17 h VAL 21 CO 0.08 0.20 0.08 0.61 0.02 0.00 0.00 177.57 178.56 1t17 n GLY 22 N -1.33 3.75 0.36 2.17 0.00 -0.91 -4.53 105.19 104.70 1t17 n GLY 22 Ca 0.10 -1.02 0.16 0.00 0.00 0.00 0.00 46.02 45.26 1t17 n GLY 22 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1t17 h ASP 23 N 2.55 0.15 -0.70 1.61 3.58 0.21 1.68 116.42 125.51 1t17 h ASP 23 Ca 0.11 0.01 0.20 0.00 0.42 0.00 0.00 57.03 57.77 1t17 h ASP 23 Cb 1.90 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 42.89 1t17 h ASP 23 CO 0.48 0.09 0.69 -0.37 -2.88 0.00 0.00 179.24 177.25 1t17 h VAL 24 N 0.17 0.30 0.00 2.25 -1.51 -1.79 -3.05 116.25 112.61 1t17 h VAL 24 Ca 0.25 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.72 1t17 h VAL 24 Cb 0.76 0.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 1t17 h VAL 24 CO -0.04 0.00 -0.90 -0.67 -1.23 0.00 0.00 177.57 174.74 1t17 n ASP 25 N -3.71 0.58 0.00 4.19 2.03 0.82 -4.61 116.55 115.85 1t17 n ASP 25 Ca 0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1t17 n ASP 25 Cb 0.94 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.34 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 -2.86 0.00 -3.33 -1.67 0.00 0.54 -4.83 120.51 108.36 1t17 n ALA 26 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1t17 n ALA 26 Cb 0.45 0.05 0.03 0.00 0.00 0.00 0.00 19.45 19.98 1t17 n ALA 26 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1t17 n TYR 27 N -0.23 -1.73 0.00 0.00 4.01 -1.17 -4.94 117.16 113.10 1t17 n TYR 27 Ca 0.00 0.73 0.00 0.00 -0.16 0.00 0.00 57.90 58.47 1t17 n TYR 27 Cb 0.00 -1.44 0.00 0.00 -0.31 0.00 0.00 39.34 37.59 1t17 n TYR 27 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1t17 n PRO 28 N 0.31 0.00 -1.02 -0.72 -0.04 -1.26 -4.91 135.00 127.35 1t17 n PRO 28 Ca -0.06 0.30 -0.30 0.00 -0.04 0.00 0.00 63.50 63.40 1t17 n PRO 28 Cb 0.61 -0.93 0.25 0.00 -0.04 0.00 0.00 33.50 33.39 1t17 n PRO 28 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1t17 s LYS 29 N -1.00 -1.59 1.34 0.54 2.20 -1.26 -5.01 119.74 114.96 1t17 s LYS 29 Ca 0.00 -0.15 -0.19 0.00 -0.36 0.00 0.00 55.97 55.28 1t17 s LYS 29 Cb 0.00 -1.56 0.34 0.00 -1.51 0.00 0.00 37.83 35.10 1t17 s LYS 29 CO 0.00 -3.94 0.90 1.97 -0.36 0.00 0.00 175.35 173.92 1t17 n PHE 30 N -4.91 -2.62 -3.22 4.03 -1.74 -1.26 -5.04 117.46 102.70 1t17 n PHE 30 Ca 0.14 -0.49 -0.00 0.00 -0.56 0.00 0.00 57.45 56.54 1t17 n PHE 30 Cb 0.60 -1.50 -0.01 0.00 1.52 0.00 0.00 39.48 40.08 1t17 n PHE 30 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1t17 s VAL 31 N -2.24 -0.95 0.06 1.97 -7.23 -1.26 -5.02 120.40 105.74 1t17 s VAL 31 Ca 0.67 -0.07 -0.15 0.00 -1.81 0.00 0.00 61.98 60.62 1t17 s VAL 31 Cb -0.18 -0.16 -0.21 0.00 0.56 0.00 0.00 36.38 36.39 1t17 s VAL 31 CO 0.61 -0.04 1.21 1.55 -0.31 0.00 0.00 175.10 178.11 1t17 h PRO 32 N 7.12 0.65 -0.61 4.82 0.13 -1.96 -3.01 132.00 139.13 1t17 h PRO 32 Ca 0.04 -0.63 0.18 0.00 -0.87 0.00 0.00 66.00 64.72 1t17 h PRO 32 Cb 1.17 0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 1t17 h PRO 32 CO 0.11 1.23 0.74 0.11 -0.23 0.00 0.00 178.00 179.97 1t17 h TRP 33 N 0.31 0.00 -1.18 1.56 5.08 -1.95 -3.40 115.95 116.38 1t17 h TRP 33 Ca -0.09 0.00 -0.64 0.00 1.08 0.00 0.00 58.89 59.25 1t17 h TRP 33 Cb 1.48 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 27.51 1t17 h TRP 33 CO 0.11 0.00 -0.52 -1.50 -1.28 0.00 0.00 178.44 175.24 1t17 s ILE 34 N -4.50 1.07 0.00 0.12 2.07 -1.14 -4.81 121.20 114.00 1t17 s ILE 34 Ca -0.04 -2.00 0.00 0.00 -1.41 0.00 0.00 60.65 57.20 1t17 s ILE 34 Cb 0.14 -2.30 0.00 0.00 0.13 0.00 0.00 42.46 40.44 1t17 s ILE 34 CO 0.49 0.00 0.00 1.07 -1.91 0.00 0.00 174.94 174.59 1t17 n THR 35 N -1.13 0.00 -3.67 4.00 5.66 -1.26 -4.73 114.28 113.16 1t17 n THR 35 Ca -0.14 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.56 1t17 n THR 35 Cb 0.66 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.40 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 -0.60 2.11 -0.15 1.09 0.00 -1.26 -4.95 107.32 103.55 1t17 s GLY 36 Ca 0.00 -0.63 -0.24 0.00 0.00 0.00 0.00 44.72 43.85 1t17 s GLY 36 CO 0.00 -0.56 0.61 -0.29 0.00 0.00 0.00 173.10 172.86 1t17 s MET 37 N -2.86 0.83 -0.23 2.90 0.00 -1.25 -0.98 119.30 117.71 1t17 s MET 37 Ca 0.40 0.57 -0.15 0.00 0.00 0.00 0.00 55.69 56.51 1t17 s MET 37 Cb -0.12 0.40 0.07 0.00 0.00 0.00 0.00 34.83 35.18 1t17 s MET 37 CO 0.26 -0.17 0.59 0.50 0.00 0.00 0.00 175.02 176.19 1t17 s ARG 38 N -0.32 0.62 -0.11 4.11 6.06 -0.07 -4.98 118.95 124.25 1t17 s ARG 38 Ca -0.05 1.00 -0.01 0.00 -2.50 0.00 0.00 55.73 54.17 1t17 s ARG 38 Cb -0.03 0.15 0.04 0.00 0.06 0.00 0.00 34.95 35.16 1t17 s ARG 38 CO 0.04 -0.14 -0.01 0.95 -2.50 0.00 0.00 175.30 173.65 1t17 s THR 39 N 1.23 0.58 0.00 4.11 -4.23 -1.26 -0.09 115.64 115.97 1t17 s THR 39 Ca -0.07 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 1t17 s THR 39 Cb -0.06 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 72.99 1t17 s THR 39 CO -0.13 0.16 0.00 -2.67 -0.54 0.00 0.00 174.62 171.44 1t17 n TRP 40 N 5.07 0.00 -2.28 3.99 2.14 -1.00 -4.99 117.44 120.36 1t17 n TRP 40 Ca -0.09 0.00 -0.04 0.00 2.07 0.00 0.00 57.50 59.45 1t17 n TRP 40 Cb 0.49 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.96 1t17 n TRP 40 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1t17 n ASN 41 N 0.00 -1.49 0.00 -0.67 3.02 -1.26 -1.87 115.26 113.00 1t17 n ASN 41 Ca 0.00 0.96 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 1t17 n ASN 41 Cb 0.00 -4.03 0.00 0.00 -0.61 0.00 0.00 39.78 35.14 1t17 n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t17 n GLY 42 N 1.11 -0.96 3.09 7.41 0.00 -1.26 -1.48 105.19 113.10 1t17 n GLY 42 Ca -0.27 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.09 0.60 -0.10 1.61 1.70 0.52 -4.98 118.95 118.20 1t17 s ARG 43 Ca 0.00 -1.15 -0.00 0.00 -0.47 0.00 0.00 55.73 54.11 1t17 s ARG 43 Cb 0.00 0.14 0.02 0.00 -0.57 0.00 0.00 34.95 34.54 1t17 s ARG 43 CO 0.00 -0.09 -0.07 0.54 -1.08 0.00 0.00 175.30 174.60 1t17 s VAL 44 N -3.55 0.96 -0.04 4.99 0.11 -1.26 -1.27 120.40 120.34 1t17 s VAL 44 Ca 0.04 -0.26 0.02 0.00 -2.93 0.00 0.00 61.98 58.85 1t17 s VAL 44 Cb 0.05 -0.97 0.01 0.00 -1.53 0.00 0.00 36.38 33.94 1t17 s VAL 44 CO -0.08 0.35 -0.08 -0.62 -3.33 0.00 0.00 175.10 171.34 1t17 s ASP 45 N 1.58 1.18 0.53 3.54 2.15 -0.17 -5.01 116.67 120.47 1t17 s ASP 45 Ca 0.02 -0.18 0.00 0.00 0.43 0.00 0.00 52.55 52.82 1t17 s ASP 45 Cb -0.13 -0.43 0.00 0.00 -0.30 0.00 0.00 42.92 42.06 1t17 s ASP 45 CO -0.06 0.02 0.00 0.61 -0.17 0.00 0.00 175.17 175.57 1t17 n GLY 46 N 3.58 2.83 2.22 2.66 0.00 -1.26 0.30 105.19 115.53 1t17 n GLY 46 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 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 8.47 5.94 -2.91 4.61 0.00 -1.26 -4.89 120.51 130.47 1t17 n ALA 47 Ca 0.00 -3.01 -0.11 0.00 0.00 0.00 0.00 53.44 50.31 1t17 n ALA 47 Cb 0.00 -1.64 -0.12 0.00 0.00 0.00 0.00 19.45 17.70 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 -4.05 0.32 -0.12 0.00 1.01 0.15 0.09 120.40 117.80 1t17 s VAL 48 Ca 0.57 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 1t17 s VAL 48 Cb 0.45 -0.41 0.05 0.00 0.00 0.00 0.00 36.38 36.48 1t17 s VAL 48 CO 0.01 -0.37 0.25 -0.94 0.00 0.00 0.00 175.10 174.05 1t17 s SER 49 N -1.33 0.03 -0.06 3.32 1.04 0.94 -1.00 113.70 116.63 1t17 s SER 49 Ca -0.11 0.55 0.05 0.00 0.48 0.00 0.00 55.95 56.92 1t17 s SER 49 Cb -0.09 0.53 -0.00 0.00 0.10 0.00 0.00 66.02 66.56 1t17 s SER 49 CO -0.00 -0.20 -0.21 -0.89 0.98 0.00 0.00 173.24 172.92 1t17 s THR 50 N 1.79 1.75 0.27 2.02 2.01 -0.40 0.07 115.64 123.14 1t17 s THR 50 Ca -0.04 -0.88 -0.11 0.00 0.31 0.00 0.00 61.69 60.97 1t17 s THR 50 Cb -0.11 -1.50 0.00 0.00 0.01 0.00 0.00 72.50 70.90 1t17 s THR 50 CO -0.08 0.49 0.49 0.68 -0.69 0.00 0.00 174.62 175.51 1t17 s VAL 51 N 0.09 0.00 0.16 3.82 -7.23 -0.07 -0.35 120.40 116.82 1t17 s VAL 51 Ca -0.08 -1.43 -0.30 0.00 -1.81 0.00 0.00 61.98 58.36 1t17 s VAL 51 Cb -0.14 -2.34 -0.07 0.00 0.56 0.00 0.00 36.38 34.39 1t17 s VAL 51 CO 0.04 0.00 1.03 -1.81 -0.31 0.00 0.00 175.10 174.05 1t17 s ASP 52 N -3.06 7.40 -0.31 4.85 1.01 -0.55 -0.21 116.67 125.79 1t17 s ASP 52 Ca 0.24 1.97 -0.00 0.00 0.71 0.00 0.00 52.55 55.46 1t17 s ASP 52 Cb -0.01 -2.60 0.07 0.00 1.01 0.00 0.00 42.92 41.39 1t17 s ASP 52 CO 0.11 -0.12 0.01 0.00 0.21 0.00 0.00 175.17 175.39 1t17 s ALA 53 N -0.28 2.82 -0.51 5.23 0.00 0.39 -2.39 121.76 127.02 1t17 s ALA 53 Ca 0.47 -1.96 -0.16 0.00 0.00 0.00 0.00 51.96 50.31 1t17 s ALA 53 Cb -0.27 -1.93 0.10 0.00 0.00 0.00 0.00 23.12 21.03 1t17 s ALA 53 CO 0.33 -1.38 0.46 -2.00 0.00 0.00 0.00 175.76 173.17 1t17 s GLU 54 N 1.16 2.99 0.15 0.00 -6.30 0.87 -0.02 118.70 117.55 1t17 s GLU 54 Ca -0.02 -1.52 0.07 0.00 -2.50 0.00 0.00 54.97 51.00 1t17 s GLU 54 Cb -0.20 -4.22 -0.04 0.00 0.00 0.00 0.00 34.13 29.67 1t17 s GLU 54 CO -0.03 -1.20 -0.01 0.00 0.02 0.00 0.00 175.26 174.04 1t17 s ALA 55 N 1.68 3.21 0.46 6.30 0.00 -0.09 -0.89 121.76 132.44 1t17 s ALA 55 Ca 0.04 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 50.73 1t17 s ALA 55 Cb -0.27 -1.04 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 1t17 s ALA 55 CO 0.05 0.55 0.08 1.04 0.00 0.00 0.00 175.76 177.47 1t17 n GLN 56 N 0.10 0.66 -3.82 0.00 6.02 -0.15 -1.70 117.38 118.49 1t17 n GLN 56 Ca -0.10 -3.64 -0.21 0.00 -0.01 0.00 0.00 57.00 53.04 1t17 n GLN 56 Cb 0.54 1.48 -0.17 0.00 1.02 0.00 0.00 30.24 33.11 1t17 n GLN 56 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1t17 s VAL 57 N -2.99 0.23 0.35 5.09 -7.23 -1.03 -4.12 120.40 110.69 1t17 s VAL 57 Ca 0.11 0.16 0.05 0.00 -1.81 0.00 0.00 61.98 60.48 1t17 s VAL 57 Cb 0.01 -0.39 -0.07 0.00 0.56 0.00 0.00 36.38 36.49 1t17 s VAL 57 CO 0.08 0.21 0.04 -0.83 -0.31 0.00 0.00 175.10 174.29 1t17 s GLY 58 N 1.68 2.20 -1.14 2.32 0.00 -1.26 -4.16 107.32 106.96 1t17 s GLY 58 Ca -0.00 -2.13 0.00 0.00 0.00 0.00 0.00 44.72 42.59 1t17 s GLY 58 CO -0.03 -1.90 0.00 0.69 0.00 0.00 0.00 173.10 171.86 1t17 n PHE 59 N -0.77 -0.09 0.16 1.90 3.72 -1.26 -4.74 117.46 116.38 1t17 n PHE 59 Ca -0.03 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.45 1t17 n PHE 59 Cb 0.67 -2.58 0.15 0.00 -0.94 0.00 0.00 39.48 36.77 1t17 n PHE 59 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1t17 n SER 60 N -0.77 2.84 0.00 4.37 2.88 -1.26 -4.93 113.62 116.75 1t17 n SER 60 Ca -0.11 -1.84 0.00 0.00 -1.33 0.00 0.00 58.87 55.59 1t17 n SER 60 Cb 0.52 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 1t17 n SER 60 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1t17 n PHE 61 N 0.90 0.00 -3.72 0.66 3.72 -1.26 -4.90 117.46 112.85 1t17 n PHE 61 Ca 0.13 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.25 1t17 n PHE 61 Cb 0.45 -1.41 -0.16 0.00 -0.94 0.00 0.00 39.48 37.41 1t17 n PHE 61 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1t17 s LEU 62 N 0.00 1.32 -0.73 4.37 2.96 -1.26 -5.09 118.68 120.25 1t17 s LEU 62 Ca 0.00 -0.99 -0.27 0.00 -0.22 0.00 0.00 54.13 52.65 1t17 s LEU 62 Cb 0.00 -0.63 0.03 0.00 0.50 0.00 0.00 46.19 46.10 1t17 s LEU 62 CO 0.00 -0.33 1.26 -0.13 -1.32 0.00 0.00 176.35 175.82 1t17 s ARG 63 N 1.83 3.18 0.01 1.98 3.00 -1.26 -4.71 118.95 122.98 1t17 s ARG 63 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 55.73 55.46 1t17 s ARG 63 Cb -0.17 -4.18 -0.01 0.00 0.00 0.00 0.00 34.95 30.59 1t17 s ARG 63 CO -0.13 -2.12 -0.02 -1.21 0.00 0.00 0.00 175.30 171.82 1t17 s GLU 64 N 5.61 0.16 0.17 3.54 0.41 -1.26 -5.08 118.70 122.26 1t17 s GLU 64 Ca 0.34 -0.21 0.08 0.00 -0.41 0.00 0.00 54.97 54.77 1t17 s GLU 64 Cb -0.09 -0.06 -0.04 0.00 -1.78 0.00 0.00 34.13 32.16 1t17 s GLU 64 CO 0.15 0.01 -0.16 -1.59 -0.49 0.00 0.00 175.26 173.18 1t17 s LYS 65 N -0.43 1.23 0.01 1.61 0.00 -1.26 -2.47 119.74 118.44 1t17 s LYS 65 Ca -0.04 -1.43 -0.27 0.00 0.00 0.00 0.00 55.97 54.23 1t17 s LYS 65 Cb -0.03 -1.16 0.07 0.00 0.00 0.00 0.00 37.83 36.71 1t17 s LYS 65 CO -0.00 0.22 0.63 -0.06 0.00 0.00 0.00 175.35 176.13 1t17 s PHE 66 N -2.39 -0.59 0.03 1.78 0.08 -0.69 -4.90 117.98 111.30 1t17 s PHE 66 Ca 0.16 0.83 0.06 0.00 0.12 0.00 0.00 56.93 58.10 1t17 s PHE 66 Cb -0.04 0.43 -0.02 0.00 -0.57 0.00 0.00 43.02 42.82 1t17 s PHE 66 CO 0.06 -0.67 -0.18 0.00 -0.10 0.00 0.00 175.22 174.34 1t17 s ALA 67 N -1.97 1.48 0.02 5.36 0.00 -1.26 -0.91 121.76 124.48 1t17 s ALA 67 Ca -0.07 -0.89 -0.08 0.00 0.00 0.00 0.00 51.96 50.91 1t17 s ALA 67 Cb -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1t17 s ALA 67 CO 0.03 0.33 0.16 0.95 0.00 0.00 0.00 175.76 177.23 1t17 s THR 68 N -0.70 0.10 -0.38 0.00 -4.23 0.97 -3.03 115.64 108.37 1t17 s THR 68 Ca 0.05 -0.84 -0.29 0.00 -1.18 0.00 0.00 61.69 59.43 1t17 s THR 68 Cb -0.08 -0.72 0.01 0.00 1.34 0.00 0.00 72.50 73.05 1t17 s THR 68 CO 0.01 -0.46 1.32 -0.60 -0.54 0.00 0.00 174.62 174.34 1t17 s ARG 69 N -2.09 3.72 -0.21 3.99 3.52 0.21 0.15 118.95 128.24 1t17 s ARG 69 Ca -0.09 0.98 -0.09 0.00 -0.13 0.00 0.00 55.73 56.39 1t17 s ARG 69 Cb -0.04 -3.95 -0.05 0.00 -1.56 0.00 0.00 34.95 29.36 1t17 s ARG 69 CO -0.02 -1.37 0.12 0.54 -0.81 0.00 0.00 175.30 173.76 1t17 s VAL 70 N 4.87 5.21 -0.07 7.11 0.11 0.70 -1.46 120.40 136.87 1t17 s VAL 70 Ca 0.57 0.12 0.05 0.00 -2.93 0.00 0.00 61.98 59.79 1t17 s VAL 70 Cb -0.13 -3.39 -0.01 0.00 -1.53 0.00 0.00 36.38 31.32 1t17 s VAL 70 CO 0.29 0.41 -0.22 0.00 -3.33 0.00 0.00 175.10 172.25 1t17 s ARG 71 N 0.61 2.73 0.08 1.54 1.70 0.99 -0.90 118.95 125.69 1t17 s ARG 71 Ca 0.07 -0.85 0.08 0.00 -0.47 0.00 0.00 55.73 54.56 1t17 s ARG 71 Cb -0.12 -2.27 -0.03 0.00 -0.57 0.00 0.00 34.95 31.96 1t17 s ARG 71 CO 0.01 0.36 -0.21 0.50 -1.08 0.00 0.00 175.30 174.88 1t17 s ARG 72 N -0.09 1.22 -0.04 3.89 3.00 0.11 -1.67 118.95 125.37 1t17 s ARG 72 Ca -0.05 -1.08 -0.01 0.00 -1.00 0.00 0.00 55.73 53.59 1t17 s ARG 72 Cb -0.14 -1.44 0.03 0.00 0.00 0.00 0.00 34.95 33.40 1t17 s ARG 72 CO 0.04 0.35 0.05 0.34 0.00 0.00 0.00 175.30 176.08 1t17 s ASP 73 N -1.63 0.93 0.03 -2.12 -1.08 -1.05 -0.04 116.67 111.70 1t17 s ASP 73 Ca 0.07 0.06 0.25 0.00 -0.52 0.00 0.00 52.55 52.41 1t17 s ASP 73 Cb -0.10 -0.14 0.56 0.00 -1.46 0.00 0.00 42.92 41.78 1t17 s ASP 73 CO 0.03 -0.22 1.46 2.29 0.52 0.00 0.00 175.17 179.25 1t17 n LYS 74 N 5.04 0.08 0.01 4.34 2.85 0.11 0.20 118.16 130.78 1t17 n LYS 74 Ca -0.09 0.02 0.03 0.00 -1.05 0.00 0.00 58.31 57.22 1t17 n LYS 74 Cb 0.50 -1.55 -0.11 0.00 -0.65 0.00 0.00 35.03 33.22 1t17 n LYS 74 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1t17 n ASP 75 N -1.66 0.46 -0.05 -5.58 4.64 -1.21 -4.26 116.55 108.89 1t17 n ASP 75 Ca 0.05 0.19 -0.01 0.00 -1.38 0.00 0.00 54.79 53.64 1t17 n ASP 75 Cb 0.36 0.87 -0.12 0.00 -1.04 0.00 0.00 41.12 41.19 1t17 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1t17 n ALA 76 N -2.39 2.02 -3.09 -1.67 0.00 -1.23 -5.00 120.51 109.14 1t17 n ALA 76 Ca -0.11 -0.75 -0.18 0.00 0.00 0.00 0.00 53.44 52.40 1t17 n ALA 76 Cb 0.78 -0.26 0.04 0.00 0.00 0.00 0.00 19.45 20.02 1t17 n ALA 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1t17 n ARG 77 N -2.36 -4.94 -4.38 0.00 3.00 0.13 -5.00 116.66 103.11 1t17 n ARG 77 Ca -0.16 0.68 -0.19 0.00 -0.01 0.00 0.00 57.85 58.16 1t17 n ARG 77 Cb 0.76 -5.13 -0.10 0.00 0.00 0.00 0.00 32.46 27.99 1t17 n ARG 77 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1t17 s SER 78 N -3.00 2.42 -0.01 0.55 1.04 -1.16 -3.70 113.70 109.84 1t17 s SER 78 Ca 0.34 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1t17 s SER 78 Cb -0.15 -0.10 0.01 0.00 0.10 0.00 0.00 66.02 65.87 1t17 s SER 78 CO 0.42 -0.38 0.01 -0.63 0.98 0.00 0.00 173.24 173.64 1t17 s ILE 79 N -3.15 0.00 0.03 -1.02 -1.09 -0.26 -2.54 121.20 113.18 1t17 s ILE 79 Ca 0.28 0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.77 1t17 s ILE 79 Cb 0.04 -0.05 -0.02 0.00 -1.58 0.00 0.00 42.46 40.85 1t17 s ILE 79 CO 0.10 0.03 -0.07 -0.62 -1.23 0.00 0.00 174.94 173.15 1t17 s ASP 80 N 0.32 0.73 -0.04 3.58 2.15 -0.67 -1.53 116.67 121.20 1t17 s ASP 80 Ca -0.03 -0.46 -0.02 0.00 0.43 0.00 0.00 52.55 52.47 1t17 s ASP 80 Cb -0.04 0.03 0.03 0.00 -0.30 0.00 0.00 42.92 42.64 1t17 s ASP 80 CO -0.01 -0.17 0.10 -0.69 -0.17 0.00 0.00 175.17 174.23 1t17 s VAL 81 N -1.17 -0.04 0.20 1.11 1.01 0.22 -0.01 120.40 121.71 1t17 s VAL 81 Ca -0.09 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.07 1t17 s VAL 81 Cb -0.09 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 36.08 1t17 s VAL 81 CO 0.00 0.07 0.04 -0.44 0.00 0.00 0.00 175.10 174.77 1t17 s SER 82 N 0.96 1.09 0.38 3.32 0.01 -0.53 -1.05 113.70 117.88 1t17 s SER 82 Ca -0.08 -1.26 -0.27 0.00 1.31 0.00 0.00 55.95 55.65 1t17 s SER 82 Cb -0.10 0.16 -0.11 0.00 0.21 0.00 0.00 66.02 66.17 1t17 s SER 82 CO -0.04 -0.65 1.33 0.18 0.41 0.00 0.00 173.24 174.48 1t17 n LEU 83 N -0.31 4.02 0.04 2.44 4.32 -1.22 0.66 117.00 126.96 1t17 n LEU 83 Ca -0.04 1.18 0.00 0.00 -0.02 0.00 0.00 56.01 57.13 1t17 n LEU 83 Cb 0.64 -1.52 0.00 0.00 -1.62 0.00 0.00 43.42 40.92 1t17 n LEU 83 CO 0.35 -0.37 -0.14 -0.11 -1.22 0.00 0.00 177.39 175.89 1t17 n LEU 84 N 0.50 0.60 0.00 2.23 0.00 -1.18 -4.35 117.00 114.79 1t17 n LEU 84 Ca 0.04 0.13 0.00 0.00 0.00 0.00 0.00 56.01 56.19 1t17 n LEU 84 Cb 0.38 -0.14 0.00 0.00 0.00 0.00 0.00 43.42 43.66 1t17 n LEU 84 CO 0.62 -0.53 -0.10 0.00 0.00 0.00 0.00 177.39 177.37 1t17 n TYR 85 N -3.30 0.00 -0.57 1.96 9.36 -1.21 -4.99 117.16 118.42 1t17 n TYR 85 Ca 0.00 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 61.01 1t17 n TYR 85 Cb 0.14 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.83 1t17 n TYR 85 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1t17 n GLY 86 N 1.33 -0.40 0.00 2.98 0.00 -1.17 -4.74 105.19 103.19 1t17 n GLY 86 Ca 0.00 0.21 0.11 0.00 0.00 0.00 0.00 46.02 46.34 1t17 n GLY 86 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1t17 n PRO 87 N 0.49 0.25 -0.32 1.61 -0.04 -1.26 -4.84 135.00 130.89 1t17 n PRO 87 Ca 0.07 0.08 -0.12 0.00 -0.04 0.00 0.00 63.50 63.50 1t17 n PRO 87 Cb 0.06 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.14 1t17 n PRO 87 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1t17 n PHE 88 N -1.33 -2.21 -0.06 0.54 1.16 -1.26 -5.00 117.46 109.30 1t17 n PHE 88 Ca 0.10 -0.10 -0.07 0.00 -1.87 0.00 0.00 57.45 55.51 1t17 n PHE 88 Cb 0.20 -0.93 -0.02 0.00 -1.61 0.00 0.00 39.48 37.12 1t17 n PHE 88 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 1t17 n LYS 89 N -1.63 0.40 -3.82 3.97 0.00 -1.26 -5.01 118.16 110.81 1t17 n LYS 89 Ca 0.05 0.16 -0.21 0.00 0.00 0.00 0.00 58.31 58.31 1t17 n LYS 89 Cb 0.23 -1.19 -0.17 0.00 0.00 0.00 0.00 35.03 33.90 1t17 n LYS 89 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1t17 s ARG 90 N -2.67 0.48 -0.22 1.64 0.52 -1.26 -5.06 118.95 112.39 1t17 s ARG 90 Ca -0.22 0.12 -0.14 0.00 -0.52 0.00 0.00 55.73 54.98 1t17 s ARG 90 Cb 0.03 -0.82 0.06 0.00 0.52 0.00 0.00 34.95 34.74 1t17 s ARG 90 CO 0.32 -0.26 0.54 -1.17 0.02 0.00 0.00 175.30 174.75 1t17 s LEU 91 N 1.76 -0.39 0.02 2.53 2.96 -1.26 -0.39 118.68 123.92 1t17 s LEU 91 Ca 0.01 1.15 -0.17 0.00 -0.22 0.00 0.00 54.13 54.90 1t17 s LEU 91 Cb -0.13 1.82 0.03 0.00 0.50 0.00 0.00 46.19 48.41 1t17 s LEU 91 CO -0.04 -0.21 0.38 0.20 -1.32 0.00 0.00 176.35 175.36 1t17 s ASN 92 N 1.24 -0.25 0.00 3.68 0.01 0.43 -3.37 114.94 116.69 1t17 s ASN 92 Ca -0.08 0.02 -0.00 0.00 -0.71 0.00 0.00 52.86 52.10 1t17 s ASN 92 Cb -0.06 0.39 -0.00 0.00 0.41 0.00 0.00 41.25 41.98 1t17 s ASN 92 CO -0.12 -0.59 -0.00 0.20 -1.51 0.00 0.00 177.10 175.07 1t17 s ASN 93 N -1.79 0.02 -0.03 -1.22 0.01 -0.21 0.39 114.94 112.11 1t17 s ASN 93 Ca -0.08 -0.04 -0.01 0.00 -0.71 0.00 0.00 52.86 52.02 1t17 s ASN 93 Cb -0.02 0.01 0.02 0.00 0.41 0.00 0.00 41.25 41.68 1t17 s ASN 93 CO -0.00 -0.03 0.06 -0.83 -1.51 0.00 0.00 177.10 174.80 1t17 s GLY 94 N -0.13 0.02 -0.16 0.66 0.00 -0.28 0.69 107.32 108.12 1t17 s GLY 94 Ca -0.01 0.34 -0.01 0.00 0.00 0.00 0.00 44.72 45.04 1t17 s GLY 94 CO -0.00 0.57 -0.04 -0.98 0.00 0.00 0.00 173.10 172.65 1t17 s TRP 95 N 0.73 1.56 -0.04 1.90 0.52 -0.58 -1.76 118.94 121.26 1t17 s TRP 95 Ca -0.06 -0.99 0.03 0.00 0.02 0.00 0.00 56.10 55.10 1t17 s TRP 95 Cb -0.08 -1.25 -0.03 0.00 -1.15 0.00 0.00 33.47 30.96 1t17 s TRP 95 CO -0.03 -0.59 -0.12 1.03 0.02 0.00 0.00 176.95 177.26 1t17 s ARG 96 N 1.68 2.53 -0.07 4.98 1.81 -0.62 -1.10 118.95 128.17 1t17 s ARG 96 Ca 0.01 -0.68 -0.03 0.00 -1.72 0.00 0.00 55.73 53.31 1t17 s ARG 96 Cb -0.15 -2.42 0.04 0.00 -0.45 0.00 0.00 34.95 31.97 1t17 s ARG 96 CO -0.07 0.63 0.12 -0.06 -0.68 0.00 0.00 175.30 175.23 1t17 s PHE 97 N -0.78 -0.08 -0.11 -0.53 0.40 -1.24 -1.23 117.98 114.40 1t17 s PHE 97 Ca 0.12 0.46 -0.06 0.00 -0.60 0.00 0.00 56.93 56.85 1t17 s PHE 97 Cb -0.11 -0.34 0.04 0.00 0.51 0.00 0.00 43.02 43.13 1t17 s PHE 97 CO 0.01 -0.23 0.26 1.41 0.70 0.00 0.00 175.22 177.37 1t17 s MET 98 N 2.17 0.24 0.45 0.44 1.75 -1.19 -4.83 119.30 118.33 1t17 s MET 98 Ca 0.03 0.52 -0.22 0.00 -1.25 0.00 0.00 55.69 54.77 1t17 s MET 98 Cb -0.12 -0.06 -0.09 0.00 2.84 0.00 0.00 34.83 37.40 1t17 s MET 98 CO -0.05 -0.14 1.05 -1.25 -0.65 0.00 0.00 175.02 173.98 1t17 s PRO 99 N 1.05 3.96 0.07 4.11 0.04 -1.26 -3.10 135.00 139.88 1t17 s PRO 99 Ca -0.08 1.43 -0.26 0.00 0.04 0.00 0.00 61.00 62.13 1t17 s PRO 99 Cb -0.09 -2.29 0.09 0.00 0.04 0.00 0.00 34.50 32.26 1t17 s PRO 99 CO -0.07 -0.31 1.16 -1.83 0.04 0.00 0.00 177.00 175.99 1t17 s GLU 100 N -2.91 0.81 0.00 4.56 -1.05 -1.23 -4.97 118.70 113.92 1t17 s GLU 100 Ca 0.63 -0.49 0.00 0.00 -0.15 0.00 0.00 54.97 54.96 1t17 s GLU 100 Cb -0.19 0.24 0.00 0.00 -0.44 0.00 0.00 34.13 33.75 1t17 s GLU 100 CO 0.23 -0.38 0.00 0.41 0.95 0.00 0.00 175.26 176.48 1t17 n GLY 101 N -0.66 2.34 0.01 -3.83 0.00 -1.26 -2.44 105.19 99.35 1t17 n GLY 101 Ca -0.03 0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 0.96 0.85 -4.36 1.61 5.68 -1.26 -4.99 116.55 115.03 1t17 n ASP 102 Ca 0.00 -0.00 -0.19 0.00 -0.50 0.00 0.00 54.79 54.10 1t17 n ASP 102 Cb 0.00 1.83 -0.10 0.00 -1.14 0.00 0.00 41.12 41.71 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 -3.26 2.00 0.10 2.12 0.00 -1.02 -4.78 121.76 116.92 1t17 s ALA 103 Ca -0.07 -1.81 -0.05 0.00 0.00 0.00 0.00 51.96 50.04 1t17 s ALA 103 Cb 0.12 0.37 -0.05 0.00 0.00 0.00 0.00 23.12 23.55 1t17 s ALA 103 CO 0.76 -0.18 0.33 -0.08 0.00 0.00 0.00 175.76 176.58 1t17 s THR 104 N -3.27 5.23 -0.09 0.00 -1.32 -0.63 -3.50 115.64 112.06 1t17 s THR 104 Ca 0.28 0.02 0.02 0.00 -1.21 0.00 0.00 61.69 60.81 1t17 s THR 104 Cb 0.05 -3.61 -0.02 0.00 -1.51 0.00 0.00 72.50 67.40 1t17 s THR 104 CO 0.10 0.14 -0.15 -0.60 -2.21 0.00 0.00 174.62 171.91 1t17 s ARG 105 N -2.38 2.90 -0.16 7.08 3.52 -1.18 0.44 118.95 129.17 1t17 s ARG 105 Ca 0.37 -0.71 0.00 0.00 -0.13 0.00 0.00 55.73 55.26 1t17 s ARG 105 Cb -0.13 -2.47 0.00 0.00 -1.56 0.00 0.00 34.95 30.79 1t17 s ARG 105 CO 0.23 0.43 -0.16 0.08 -0.81 0.00 0.00 175.30 175.06 1t17 s VAL 106 N -0.21 2.50 -0.29 7.11 1.01 0.61 -3.18 120.40 127.94 1t17 s VAL 106 Ca 0.00 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 1t17 s VAL 106 Cb -0.13 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1t17 s VAL 106 CO 0.03 0.52 0.25 -1.61 0.00 0.00 0.00 175.10 174.29 1t17 s GLU 107 N 0.96 3.90 -0.34 2.72 2.02 -0.37 -2.09 118.70 125.51 1t17 s GLU 107 Ca -0.03 -0.26 -0.04 0.00 0.02 0.00 0.00 54.97 54.66 1t17 s GLU 107 Cb -0.15 -3.68 0.06 0.00 0.10 0.00 0.00 34.13 30.46 1t17 s GLU 107 CO -0.03 -0.25 0.08 -0.06 0.02 0.00 0.00 175.26 175.02 1t17 s PHE 108 N 1.85 3.32 -0.27 1.61 0.40 0.11 -1.59 117.98 123.42 1t17 s PHE 108 Ca 0.09 -1.80 -0.03 0.00 -0.60 0.00 0.00 56.93 54.60 1t17 s PHE 108 Cb -0.16 -2.41 0.03 0.00 0.51 0.00 0.00 43.02 40.99 1t17 s PHE 108 CO 0.11 -0.81 -0.02 0.14 0.70 0.00 0.00 175.22 175.34 1t17 s VAL 109 N 1.29 3.16 -0.11 -0.44 -7.23 -0.72 -0.36 120.40 115.99 1t17 s VAL 109 Ca -0.01 -1.00 -0.01 0.00 -1.81 0.00 0.00 61.98 59.15 1t17 s VAL 109 Cb -0.20 -2.64 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 1t17 s VAL 109 CO -0.00 0.12 -0.06 0.27 -0.31 0.00 0.00 175.10 175.12 1t17 s ILE 110 N 1.36 3.73 -0.07 -0.62 -0.00 -0.69 -1.13 121.20 123.78 1t17 s ILE 110 Ca -0.00 -0.44 -0.01 0.00 -0.00 0.00 0.00 60.65 60.20 1t17 s ILE 110 Cb -0.17 -2.57 0.03 0.00 -0.00 0.00 0.00 42.46 39.74 1t17 s ILE 110 CO -0.02 0.55 -0.01 -1.61 -0.00 0.00 0.00 174.94 173.85 1t17 s GLU 111 N -0.26 0.69 0.21 0.37 2.02 0.16 -1.80 118.70 120.09 1t17 s GLU 111 Ca 0.04 0.04 -0.10 0.00 0.02 0.00 0.00 54.97 54.97 1t17 s GLU 111 Cb -0.13 -0.95 -0.01 0.00 0.10 0.00 0.00 34.13 33.14 1t17 s GLU 111 CO 0.02 -0.25 0.36 -0.59 0.02 0.00 0.00 175.26 174.83 1t17 s PHE 112 N 1.69 0.49 -0.09 1.61 -0.12 -0.89 0.16 117.98 120.83 1t17 s PHE 112 Ca 0.01 -0.83 -0.01 0.00 -0.05 0.00 0.00 56.93 56.05 1t17 s PHE 112 Cb -0.13 -0.01 0.03 0.00 -0.63 0.00 0.00 43.02 42.28 1t17 s PHE 112 CO -0.04 -0.85 -0.02 0.00 -0.05 0.00 0.00 175.22 174.27 1t17 s ALA 113 N -4.02 0.86 0.52 1.99 0.00 0.47 -2.80 121.76 118.78 1t17 s ALA 113 Ca 0.23 -0.25 0.08 0.00 0.00 0.00 0.00 51.96 52.02 1t17 s ALA 113 Cb 0.02 -0.80 0.05 0.00 0.00 0.00 0.00 23.12 22.39 1t17 s ALA 113 CO 0.06 -0.48 0.71 -0.06 0.00 0.00 0.00 175.76 175.99 1t17 s PHE 114 N 1.90 2.12 -0.19 0.00 0.08 -1.26 -4.69 117.98 115.94 1t17 s PHE 114 Ca 0.05 -0.51 -0.17 0.00 0.12 0.00 0.00 56.93 56.42 1t17 s PHE 114 Cb -0.13 -2.37 -0.13 0.00 -0.57 0.00 0.00 43.02 39.83 1t17 s PHE 114 CO -0.06 -0.85 0.00 1.63 -0.10 0.00 0.00 175.22 175.84 1t17 n LYS 115 N -2.12 0.53 -2.69 0.44 4.01 -1.26 -4.86 118.16 112.21 1t17 n LYS 115 Ca 0.12 0.51 -0.42 0.00 -0.51 0.00 0.00 58.31 58.00 1t17 n LYS 115 Cb 0.60 -1.69 -0.03 0.00 -0.51 0.00 0.00 35.03 33.41 1t17 n LYS 115 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1t17 s SER 116 N -6.54 7.24 0.45 4.39 0.15 -1.26 -4.91 113.70 113.22 1t17 s SER 116 Ca -0.26 1.52 0.18 0.00 0.70 0.00 0.00 55.95 58.10 1t17 s SER 116 Cb 0.06 -2.56 1.06 0.00 -1.71 0.00 0.00 66.02 62.87 1t17 s SER 116 CO 0.46 -0.46 1.97 0.00 1.20 0.00 0.00 173.24 176.41 1t17 h ALA 117 N 7.11 1.47 0.05 5.45 0.00 -1.99 0.36 119.26 131.72 1t17 h ALA 117 Ca -0.30 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1t17 h ALA 117 Cb 1.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1t17 h ALA 117 CO 0.86 0.27 -0.03 -0.07 0.00 0.00 0.00 179.25 180.29 1t17 h LEU 118 N 0.00 -0.06 -1.80 0.00 -0.00 -2.00 -3.05 115.31 108.39 1t17 h LEU 118 Ca -0.00 -0.57 -0.03 0.00 -0.00 0.00 0.00 57.88 57.28 1t17 h LEU 118 Cb 0.43 0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 41.10 1t17 h LEU 118 CO 0.03 0.58 -0.15 -0.07 -0.00 0.00 0.00 178.44 178.83 1t17 h LEU 119 N -0.75 0.00 0.03 1.67 3.38 -1.90 0.99 115.31 118.73 1t17 h LEU 119 Ca -0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1t17 h LEU 119 Cb 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1t17 h LEU 119 CO 0.01 0.15 -0.08 -0.78 0.09 0.00 0.00 178.44 177.83 1t17 h ASP 120 N 0.00 -0.22 0.18 -0.43 1.82 -0.23 1.12 116.42 118.66 1t17 h ASP 120 Ca -0.00 0.03 -0.25 0.00 -0.39 0.00 0.00 57.03 56.42 1t17 h ASP 120 Cb 0.37 0.09 0.01 0.00 0.68 0.00 0.00 39.33 40.48 1t17 h ASP 120 CO 0.02 -0.12 -1.01 0.00 -1.61 0.00 0.00 179.24 176.52 1t17 h ALA 121 N 0.80 0.24 -0.30 -0.78 0.00 -1.36 0.79 119.26 118.65 1t17 h ALA 121 Ca 0.02 -0.71 0.01 0.00 0.00 0.00 0.00 54.91 54.23 1t17 h ALA 121 Cb 0.17 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1t17 h ALA 121 CO -0.06 0.75 0.19 1.98 0.00 0.00 0.00 179.25 182.12 1t17 h MET 122 N 0.31 0.38 -0.02 0.00 4.05 -0.51 0.88 114.93 120.02 1t17 h MET 122 Ca -0.11 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.25 1t17 h MET 122 Cb 1.65 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 32.37 1t17 h MET 122 CO 0.19 0.25 -0.13 -0.07 0.23 0.00 0.00 176.91 177.38 1t17 h LEU 123 N 0.39 0.14 -0.73 3.39 3.38 0.13 -2.54 115.31 119.47 1t17 h LEU 123 Ca 0.11 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1t17 h LEU 123 Cb -0.03 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1t17 h LEU 123 CO -0.03 0.83 0.00 0.00 0.09 0.00 0.00 178.44 179.32 1t17 n ALA 124 N -2.48 1.26 -0.07 1.53 0.00 0.27 -0.25 120.51 120.77 1t17 n ALA 124 Ca -0.09 0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1t17 n ALA 124 Cb 0.42 -1.25 -0.07 0.00 0.00 0.00 0.00 19.45 18.55 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 0.02 0.00 0.00 0.00 0.10 -3.31 119.26 118.20 1t17 h ALA 125 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1t17 h ALA 125 Cb 0.12 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1t17 h ALA 125 CO 0.00 0.08 -0.06 -2.95 0.00 0.00 0.00 179.25 176.33 1t17 h ASN 126 N -1.00 0.00 -0.95 0.00 7.08 -1.00 -3.01 115.58 116.70 1t17 h ASN 126 Ca -0.03 0.00 0.29 0.00 -3.08 0.00 0.00 56.30 53.48 1t17 h ASN 126 Cb 0.61 0.00 -0.16 0.00 -2.08 0.00 0.00 38.32 36.69 1t17 h ASN 126 CO -0.02 0.06 0.25 1.62 -2.08 0.00 0.00 177.43 177.26 1t17 h VAL 127 N 0.00 0.16 -0.32 6.14 3.04 -0.71 1.27 116.25 125.83 1t17 h VAL 127 Ca -0.00 -0.04 -0.00 0.00 -1.01 0.00 0.00 66.70 65.65 1t17 h VAL 127 Cb 0.50 0.04 -0.02 0.00 -2.01 0.00 0.00 31.29 29.80 1t17 h VAL 127 CO 0.01 0.02 0.19 -0.78 -1.01 0.00 0.00 177.57 176.00 1t17 h ASP 128 N 0.11 0.38 -0.32 3.17 1.82 -1.71 -0.87 116.42 119.01 1t17 h ASP 128 Ca 0.64 -0.05 0.04 0.00 -0.39 0.00 0.00 57.03 57.27 1t17 h ASP 128 Cb 1.40 -0.10 -0.04 0.00 0.68 0.00 0.00 39.33 41.28 1t17 h ASP 128 CO -0.76 0.32 0.07 0.03 -1.61 0.00 0.00 179.24 177.30 1t17 h ARG 129 N 0.41 0.19 -0.85 0.28 2.47 0.13 0.16 114.38 117.17 1t17 h ARG 129 Ca 0.12 -0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.90 1t17 h ARG 129 Cb 0.01 -0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 28.22 1t17 h ARG 129 CO -0.02 0.12 0.51 0.00 0.56 0.00 0.00 179.97 181.15 1t17 h ALA 130 N 1.23 1.20 0.00 0.04 0.00 -0.35 0.25 119.26 121.62 1t17 h ALA 130 Ca 0.15 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1t17 h ALA 130 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1t17 h ALA 130 CO -0.18 0.21 -0.30 0.00 0.00 0.00 0.00 179.25 178.97 1t17 h ALA 131 N 1.43 1.48 -0.38 0.00 0.00 0.02 0.10 119.26 121.91 1t17 h ALA 131 Ca 0.39 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1t17 h ALA 131 Cb 0.26 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1t17 h ALA 131 CO -0.21 0.38 -0.17 0.78 0.00 0.00 0.00 179.25 180.03 1t17 h GLY 132 N 0.94 0.86 0.56 0.00 0.00 0.23 1.00 103.07 106.65 1t17 h GLY 132 Ca -0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 47.33 46.51 1t17 h GLY 132 CO 0.04 0.70 -0.17 0.07 0.00 0.00 0.00 176.54 177.18 1t17 h LYS 133 N 0.60 0.20 -0.72 4.80 2.10 -0.76 -1.47 116.57 121.32 1t17 h LYS 133 Ca 0.09 -0.15 0.06 0.00 -2.00 0.00 0.00 60.65 58.65 1t17 h LYS 133 Cb 0.72 0.03 -0.06 0.00 -0.90 0.00 0.00 32.23 32.02 1t17 h LYS 133 CO 0.05 0.79 0.41 1.37 -2.00 0.00 0.00 179.45 180.07 1t17 h LEU 134 N -0.34 0.61 -0.08 7.07 8.10 -0.81 0.52 115.31 130.38 1t17 h LEU 134 Ca -0.01 0.03 -0.00 0.00 0.11 0.00 0.00 57.88 58.01 1t17 h LEU 134 Cb 0.81 -0.09 -0.00 0.00 -0.44 0.00 0.00 40.66 40.94 1t17 h LEU 134 CO 0.04 0.39 0.04 0.40 -4.11 0.00 0.00 178.44 175.20 1t17 h ILE 135 N 0.74 1.08 -0.10 0.15 2.04 -0.79 -1.10 117.51 119.53 1t17 h ILE 135 Ca 0.32 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 1t17 h ILE 135 Cb 0.21 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1t17 h ILE 135 CO -0.19 0.07 0.02 0.00 0.00 0.00 0.00 178.15 178.05 1t17 h ALA 136 N 0.95 1.85 0.12 1.87 0.00 -0.37 0.19 119.26 123.86 1t17 h ALA 136 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1t17 h ALA 136 Cb 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1t17 h ALA 136 CO -0.00 0.12 -0.06 0.00 0.00 0.00 0.00 179.25 179.31 1t17 h PHE 138 N -0.30 1.11 0.02 0.00 3.57 -0.40 -1.28 116.94 119.66 1t17 h PHE 138 Ca -0.02 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.35 1t17 h PHE 138 Cb 0.24 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1t17 h PHE 138 CO -0.03 0.91 -0.01 1.49 -2.23 0.00 0.00 178.31 178.45 1t17 h GLU 139 N 0.98 -0.03 -0.75 1.11 4.81 -0.46 0.21 114.58 120.46 1t17 h GLU 139 Ca 0.21 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.49 1t17 h GLU 139 Cb 0.36 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 1t17 h GLU 139 CO 0.00 0.01 0.45 0.00 -0.73 0.00 0.00 179.01 178.75 1t17 h ALA 140 N 0.93 1.00 -0.47 2.92 0.00 -0.35 0.01 119.26 123.30 1t17 h ALA 140 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1t17 h ALA 140 Cb 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1t17 h ALA 140 CO 0.00 0.20 0.10 0.00 0.00 0.00 0.00 179.25 179.55 1t17 h ARG 141 N 0.85 0.72 -0.51 0.00 2.47 -0.78 0.51 114.38 117.64 1t17 h ARG 141 Ca 0.32 -0.14 -0.05 0.00 -1.26 0.00 0.00 59.98 58.84 1t17 h ARG 141 Cb 0.11 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 1t17 h ARG 141 CO -0.15 0.66 0.12 0.00 0.56 0.00 0.00 179.97 181.16 1t17 h ALA 142 N 1.42 0.67 -0.04 0.04 0.00 0.98 0.14 119.26 122.47 1t17 h ALA 142 Ca 0.16 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1t17 h ALA 142 Cb 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1t17 h ALA 142 CO -0.00 0.37 -0.72 0.37 0.00 0.00 0.00 179.25 179.27 1t17 h GLN 143 N 0.71 0.20 -0.11 0.00 4.15 -0.53 0.59 115.11 120.13 1t17 h GLN 143 Ca 0.16 -0.17 -0.12 0.00 0.77 0.00 0.00 58.65 59.29 1t17 h GLN 143 Cb 0.34 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1t17 h GLN 143 CO 0.00 0.84 -0.45 0.37 -1.93 0.00 0.00 178.83 177.66 1t17 h GLN 144 N 0.14 0.26 0.00 1.69 4.15 0.36 1.42 115.11 123.12 1t17 h GLN 144 Ca -0.02 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.26 1t17 h GLN 144 Cb 1.28 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.97 1t17 h GLN 144 CO 0.11 0.66 -0.06 1.25 -1.93 0.00 0.00 178.83 178.86 1t17 h LEU 145 N 0.21 0.00 -0.76 -2.39 6.46 -0.61 -3.34 115.31 114.88 1t17 h LEU 145 Ca 0.02 -0.59 -0.08 0.00 -0.12 0.00 0.00 57.88 57.11 1t17 h LEU 145 Cb 0.87 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.78 1t17 h LEU 145 CO 0.07 0.83 0.05 0.45 -0.62 0.00 0.00 178.44 179.22 1t17 h HIS 146 N -1.00 1.07 -7.06 1.25 3.86 -0.92 -3.46 115.15 108.89 1t17 h HIS 146 Ca -0.01 -0.15 -0.61 0.00 -1.16 0.00 0.00 60.37 58.43 1t17 h HIS 146 Cb 0.63 -0.29 -0.18 0.00 1.06 0.00 0.00 27.41 28.62 1t17 h HIS 146 CO 0.16 0.93 -0.97 0.41 0.86 0.00 0.00 177.93 179.31 1t17 n GLY 147 N -0.58 -0.20 0.00 2.45 0.00 0.49 -5.05 105.19 102.30 1t17 n GLY 147 Ca 0.04 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1t17 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32