#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oo2 h PRO 11 N 7.34 0.27 -4.00 0.00 0.13 -1.91 -3.41 132.00 130.42 1oo2 h PRO 11 Ca -0.23 -0.08 -0.49 0.00 -0.87 0.00 0.00 66.00 64.32 1oo2 h PRO 11 Cb 1.09 -0.03 -0.38 0.00 0.13 0.00 0.00 31.00 31.82 1oo2 h PRO 11 CO 0.93 0.48 -0.79 -1.17 -0.23 0.00 0.00 178.00 177.23 1oo2 s LEU 12 N -8.62 0.97 0.20 1.56 2.96 -1.26 -1.72 118.68 112.78 1oo2 s LEU 12 Ca -0.05 -0.25 0.08 0.00 -0.22 0.00 0.00 54.13 53.69 1oo2 s LEU 12 Cb 0.15 -0.68 -0.05 0.00 0.50 0.00 0.00 46.19 46.11 1oo2 s LEU 12 CO 0.75 -0.16 -0.15 -0.04 -1.32 0.00 0.00 176.35 175.43 1oo2 s MET 13 N 1.81 1.34 0.15 1.98 -1.94 0.21 -4.61 119.30 118.24 1oo2 s MET 13 Ca 0.05 -1.57 0.06 0.00 -1.71 0.00 0.00 55.69 52.51 1oo2 s MET 13 Cb -0.13 -1.19 -0.04 0.00 2.01 0.00 0.00 34.83 35.48 1oo2 s MET 13 CO -0.07 0.21 -0.13 0.14 -0.01 0.00 0.00 175.02 175.16 1oo2 s VAL 14 N -2.80 1.37 -0.23 -6.03 -7.23 -1.26 -1.11 120.40 103.12 1oo2 s VAL 14 Ca 0.22 -1.92 -0.03 0.00 -1.81 0.00 0.00 61.98 58.43 1oo2 s VAL 14 Cb -0.02 -1.73 0.10 0.00 0.56 0.00 0.00 36.38 35.29 1oo2 s VAL 14 CO 0.07 -0.55 0.21 -0.75 -0.31 0.00 0.00 175.10 173.78 1oo2 s LYS 15 N -3.18 0.20 -0.17 4.82 2.47 -0.42 -4.38 119.74 119.09 1oo2 s LYS 15 Ca 0.14 0.04 -0.04 0.00 -1.56 0.00 0.00 55.97 54.55 1oo2 s LYS 15 Cb -0.02 -1.16 -0.03 0.00 -1.46 0.00 0.00 37.83 35.16 1oo2 s LYS 15 CO 0.03 -0.76 -0.02 0.42 0.16 0.00 0.00 175.35 175.18 1oo2 s ILE 16 N 2.29 3.97 0.09 5.43 -1.09 -0.30 -1.21 121.20 130.39 1oo2 s ILE 16 Ca 0.07 -0.32 0.10 0.00 -2.23 0.00 0.00 60.65 58.26 1oo2 s ILE 16 Cb -0.15 -2.76 -0.04 0.00 -1.58 0.00 0.00 42.46 37.93 1oo2 s ILE 16 CO -0.18 0.48 -0.25 -0.76 -1.23 0.00 0.00 174.94 173.00 1oo2 s LEU 17 N 0.51 2.35 -0.33 2.97 1.43 0.04 -1.03 118.68 124.62 1oo2 s LEU 17 Ca -0.02 -0.63 -0.10 0.00 -1.03 0.00 0.00 54.13 52.35 1oo2 s LEU 17 Cb -0.14 -1.32 0.00 0.00 0.03 0.00 0.00 46.19 44.77 1oo2 s LEU 17 CO 0.02 0.22 0.16 -0.62 0.23 0.00 0.00 176.35 176.36 1oo2 s ASP 18 N -1.71 5.56 0.00 2.29 -1.08 0.11 -0.76 116.67 121.08 1oo2 s ASP 18 Ca 0.14 -0.68 0.29 0.00 -0.52 0.00 0.00 52.55 51.77 1oo2 s ASP 18 Cb -0.10 -2.00 1.18 0.00 -1.46 0.00 0.00 42.92 40.54 1oo2 s ASP 18 CO 0.05 -0.25 1.82 0.00 0.52 0.00 0.00 175.17 177.31 1oo2 n ALA 19 N 4.97 2.77 -0.07 3.66 0.00 -0.01 -0.92 120.51 130.92 1oo2 n ALA 19 Ca -0.13 -0.32 -0.21 0.00 0.00 0.00 0.00 53.44 52.77 1oo2 n ALA 19 Cb 0.48 -1.28 -0.12 0.00 0.00 0.00 0.00 19.45 18.53 1oo2 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1oo2 h VAL 20 N 1.00 0.93 0.00 0.00 2.07 -1.95 -3.41 116.25 114.90 1oo2 h VAL 20 Ca 0.00 -2.24 -0.13 0.00 0.82 0.00 0.00 66.70 65.15 1oo2 h VAL 20 Cb 0.37 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 1oo2 h VAL 20 CO 0.00 0.48 -1.03 0.11 0.02 0.00 0.00 177.57 177.15 1oo2 h LYS 21 N -0.73 0.00 -2.75 1.57 1.57 -1.94 -3.48 116.57 110.80 1oo2 h LYS 21 Ca -0.34 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.25 1oo2 h LYS 21 Cb 1.47 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.82 1oo2 h LYS 21 CO -0.11 0.35 -0.31 0.41 -0.57 0.00 0.00 179.45 179.22 1oo2 n GLY 22 N 1.31 0.13 3.26 3.86 0.00 -0.09 -5.04 105.19 108.63 1oo2 n GLY 22 Ca -0.04 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 1oo2 n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1oo2 s THR 23 N -2.95 0.03 0.75 2.61 -4.23 -1.21 -5.01 115.64 105.63 1oo2 s THR 23 Ca 0.19 -1.81 -0.15 0.00 -1.18 0.00 0.00 61.69 58.74 1oo2 s THR 23 Cb -0.09 -2.25 0.04 0.00 1.34 0.00 0.00 72.50 71.54 1oo2 s THR 23 CO 0.24 -0.16 1.15 -2.65 -0.54 0.00 0.00 174.62 172.66 1oo2 n PRO 24 N -0.23 0.50 -3.06 3.99 -0.02 -1.26 -0.71 135.00 134.19 1oo2 n PRO 24 Ca -0.02 0.23 -0.44 0.00 -2.02 0.00 0.00 63.50 61.26 1oo2 n PRO 24 Cb 0.64 -2.39 -0.05 0.00 -0.02 0.00 0.00 33.50 31.68 1oo2 n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oo2 s ALA 25 N -1.86 3.32 0.38 3.55 0.00 -0.20 -4.58 121.76 122.38 1oo2 s ALA 25 Ca 0.75 -1.71 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 1oo2 s ALA 25 Cb -0.33 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 1oo2 s ALA 25 CO 0.48 -2.19 0.64 0.20 0.00 0.00 0.00 175.76 174.89 1oo2 s GLY 26 N 2.92 1.54 -1.32 0.00 0.00 -1.26 -4.25 107.32 104.95 1oo2 s GLY 26 Ca 0.18 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.25 1oo2 s GLY 26 CO 0.13 -0.54 0.00 1.44 0.00 0.00 0.00 173.10 174.12 1oo2 n SER 27 N -1.73 -4.47 -4.65 1.64 7.64 -0.13 -4.93 113.62 106.99 1oo2 n SER 27 Ca -0.02 0.12 -0.42 0.00 1.01 0.00 0.00 58.87 59.57 1oo2 n SER 27 Cb 0.55 -3.48 -0.04 0.00 -1.01 0.00 0.00 64.21 60.22 1oo2 n SER 27 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1oo2 s VAL 28 N -2.64 4.86 0.27 0.44 1.01 -1.26 -4.74 120.40 118.34 1oo2 s VAL 28 Ca 0.00 1.55 -0.28 0.00 0.00 0.00 0.00 61.98 63.25 1oo2 s VAL 28 Cb 0.00 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.18 1oo2 s VAL 28 CO 0.00 -0.03 0.93 0.00 0.00 0.00 0.00 175.10 176.00 1oo2 s ALA 29 N 2.56 3.30 0.16 5.51 0.00 -1.26 -0.92 121.76 131.11 1oo2 s ALA 29 Ca 0.35 0.56 -0.03 0.00 0.00 0.00 0.00 51.96 52.84 1oo2 s ALA 29 Cb -0.16 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 1oo2 s ALA 29 CO 0.09 0.20 0.14 -0.48 0.00 0.00 0.00 175.76 175.71 1oo2 s LEU 30 N -1.53 1.40 -0.02 0.00 0.05 0.39 -1.11 118.68 117.85 1oo2 s LEU 30 Ca 0.44 -1.17 0.03 0.00 0.05 0.00 0.00 54.13 53.48 1oo2 s LEU 30 Cb -0.23 0.56 0.00 0.00 -2.05 0.00 0.00 46.19 44.47 1oo2 s LEU 30 CO 0.28 -0.81 -0.09 -0.54 -0.55 0.00 0.00 176.35 174.65 1oo2 s LYS 31 N -4.06 0.95 -0.17 1.48 1.02 -0.60 -2.16 119.74 116.20 1oo2 s LYS 31 Ca 0.26 -0.31 -0.04 0.00 0.02 0.00 0.00 55.97 55.90 1oo2 s LYS 31 Cb 0.06 -0.89 -0.02 0.00 -0.52 0.00 0.00 37.83 36.46 1oo2 s LYS 31 CO 0.04 0.12 -0.04 0.08 -0.92 0.00 0.00 175.35 174.64 1oo2 s VAL 32 N 0.14 3.77 0.11 3.17 1.01 0.16 -0.79 120.40 127.98 1oo2 s VAL 32 Ca -0.02 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 61.65 1oo2 s VAL 32 Cb -0.08 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1oo2 s VAL 32 CO 0.00 0.48 -0.20 -0.44 0.00 0.00 0.00 175.10 174.94 1oo2 s SER 33 N 0.60 2.52 -0.10 3.32 0.01 0.25 -0.12 113.70 120.18 1oo2 s SER 33 Ca -0.03 -0.71 0.01 0.00 1.31 0.00 0.00 55.95 56.54 1oo2 s SER 33 Cb -0.14 -0.14 -0.02 0.00 0.21 0.00 0.00 66.02 65.93 1oo2 s SER 33 CO 0.02 0.04 -0.13 -1.58 0.41 0.00 0.00 173.24 172.00 1oo2 s GLN 34 N -2.01 3.05 0.19 12.44 0.74 0.21 -0.85 119.66 133.42 1oo2 s GLN 34 Ca 0.07 -0.68 -0.30 0.00 0.05 0.00 0.00 55.36 54.50 1oo2 s GLN 34 Cb -0.09 -2.54 -0.08 0.00 1.10 0.00 0.00 33.01 31.39 1oo2 s GLN 34 CO 0.04 0.38 1.19 0.21 -0.55 0.00 0.00 175.29 176.57 1oo2 s LYS 35 N -0.09 4.50 0.47 1.67 2.20 -0.39 -0.65 119.74 127.45 1oo2 s LYS 35 Ca -0.02 1.88 0.08 0.00 -0.36 0.00 0.00 55.97 57.55 1oo2 s LYS 35 Cb -0.14 -3.24 0.03 0.00 -1.51 0.00 0.00 37.83 32.98 1oo2 s LYS 35 CO 0.04 -0.07 0.62 0.95 -0.36 0.00 0.00 175.35 176.52 1oo2 s THR 36 N -0.12 2.65 0.36 3.43 -4.23 -0.50 -4.79 115.64 112.43 1oo2 s THR 36 Ca 0.52 -1.05 0.09 0.00 -1.18 0.00 0.00 61.69 60.08 1oo2 s THR 36 Cb -0.33 -2.69 0.32 0.00 1.34 0.00 0.00 72.50 71.14 1oo2 s THR 36 CO 0.37 0.00 1.88 0.00 -0.54 0.00 0.00 174.62 176.33 1oo2 h ALA 37 N 0.53 1.85 -0.35 3.99 0.00 -1.96 -1.03 119.26 122.29 1oo2 h ALA 37 Ca -0.37 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1oo2 h ALA 37 Cb 1.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1oo2 h ALA 37 CO 0.45 -0.07 0.00 -0.40 0.00 0.00 0.00 179.25 179.23 1oo2 n ASP 38 N -4.54 2.49 0.00 0.00 5.68 -1.26 -4.89 116.55 114.02 1oo2 n ASP 38 Ca 0.16 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.56 1oo2 n ASP 38 Cb 0.45 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 1oo2 n ASP 38 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1oo2 n GLY 39 N 1.28 0.71 0.00 6.12 0.00 -0.39 -5.07 105.19 107.84 1oo2 n GLY 39 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1oo2 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oo2 n GLY 40 N -2.08 -0.90 3.07 -0.02 0.00 -1.26 -4.76 105.19 99.25 1oo2 n GLY 40 Ca 0.00 -1.69 -0.24 0.00 0.00 0.00 0.00 46.02 44.08 1oo2 n GLY 40 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1oo2 s TRP 41 N -0.76 1.46 -0.09 1.61 0.52 -1.26 -1.42 118.94 119.00 1oo2 s TRP 41 Ca 0.00 -0.45 0.03 0.00 0.02 0.00 0.00 56.10 55.70 1oo2 s TRP 41 Cb 0.00 -1.02 -0.01 0.00 -1.15 0.00 0.00 33.47 31.29 1oo2 s TRP 41 CO 0.00 -0.19 -0.19 -0.08 0.02 0.00 0.00 176.95 176.51 1oo2 s THR 42 N 0.27 2.54 0.02 2.01 -1.32 0.18 -4.92 115.64 114.41 1oo2 s THR 42 Ca -0.07 -0.87 -0.30 0.00 -1.21 0.00 0.00 61.69 59.24 1oo2 s THR 42 Cb -0.12 -2.00 -0.05 0.00 -1.51 0.00 0.00 72.50 68.82 1oo2 s THR 42 CO 0.02 0.55 1.19 -1.58 -2.21 0.00 0.00 174.62 172.60 1oo2 s GLN 43 N 0.06 4.41 -0.00 7.08 0.74 -1.26 -0.62 119.66 130.06 1oo2 s GLN 43 Ca -0.08 1.72 0.06 0.00 0.05 0.00 0.00 55.36 57.11 1oo2 s GLN 43 Cb -0.15 -3.43 -0.07 0.00 1.10 0.00 0.00 33.01 30.46 1oo2 s GLN 43 CO 0.05 -0.32 0.23 0.44 -0.55 0.00 0.00 175.29 175.15 1oo2 n ILE 44 N 4.17 0.00 -3.48 -2.34 -5.35 0.83 -4.94 119.36 108.24 1oo2 n ILE 44 Ca 0.10 -0.31 -0.12 0.00 -0.27 0.00 0.00 62.75 62.14 1oo2 n ILE 44 Cb 0.47 0.87 -0.03 0.00 -1.74 0.00 0.00 39.64 39.20 1oo2 n ILE 44 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1oo2 s ALA 45 N -1.74 -1.72 0.08 -1.28 0.00 -1.11 -5.00 121.76 110.99 1oo2 s ALA 45 Ca 0.01 0.91 0.01 0.00 0.00 0.00 0.00 51.96 52.89 1oo2 s ALA 45 Cb 0.04 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 1oo2 s ALA 45 CO 0.25 -0.61 -0.05 0.95 0.00 0.00 0.00 175.76 176.30 1oo2 s THR 46 N -2.74 0.51 0.02 0.00 -4.23 -1.26 -0.66 115.64 107.26 1oo2 s THR 46 Ca -0.01 -1.89 -0.29 0.00 -1.18 0.00 0.00 61.69 58.31 1oo2 s THR 46 Cb -0.01 -1.65 0.11 0.00 1.34 0.00 0.00 72.50 72.29 1oo2 s THR 46 CO -0.05 -0.89 1.18 -0.83 -0.54 0.00 0.00 174.62 173.49 1oo2 s GLY 47 N -3.00 -0.36 -0.05 3.99 0.00 -0.92 -5.01 107.32 101.97 1oo2 s GLY 47 Ca 0.11 0.62 0.03 0.00 0.00 0.00 0.00 44.72 45.47 1oo2 s GLY 47 CO -0.06 0.12 -0.12 0.14 0.00 0.00 0.00 173.10 173.18 1oo2 s VAL 48 N -2.67 1.08 0.55 1.40 1.01 -1.26 -0.46 120.40 120.05 1oo2 s VAL 48 Ca 0.13 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 1oo2 s VAL 48 Cb 0.03 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 1oo2 s VAL 48 CO -0.02 0.34 1.33 0.42 0.00 0.00 0.00 175.10 177.16 1oo2 s THR 49 N 0.49 2.17 0.18 3.92 -4.23 -0.10 -4.81 115.64 113.27 1oo2 s THR 49 Ca -0.10 0.13 -0.03 0.00 -1.18 0.00 0.00 61.69 60.50 1oo2 s THR 49 Cb -0.14 -3.06 0.04 0.00 1.34 0.00 0.00 72.50 70.68 1oo2 s THR 49 CO 0.03 -0.01 0.25 -0.90 -0.54 0.00 0.00 174.62 173.45 1oo2 n ASP 50 N -1.10 0.06 0.00 3.99 3.85 0.32 -0.95 116.55 122.72 1oo2 n ASP 50 Ca 0.11 -1.11 0.08 0.00 -0.71 0.00 0.00 54.79 53.15 1oo2 n ASP 50 Cb 0.46 -0.18 0.35 0.00 -1.35 0.00 0.00 41.12 40.39 1oo2 n ASP 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1oo2 n ALA 51 N -3.14 1.75 0.18 2.12 0.00 -1.26 -1.11 120.51 119.05 1oo2 n ALA 51 Ca -0.04 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.46 1oo2 n ALA 51 Cb 0.11 -1.25 0.26 0.00 0.00 0.00 0.00 19.45 18.57 1oo2 n ALA 51 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1oo2 n THR 52 N -1.45 0.65 -1.04 0.00 -2.24 -1.26 -4.59 114.28 104.35 1oo2 n THR 52 Ca 0.05 -0.79 -0.01 0.00 -2.27 0.00 0.00 64.05 61.03 1oo2 n THR 52 Cb 0.17 0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 69.12 1oo2 n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oo2 n GLY 53 N 1.52 0.48 3.47 3.38 0.00 -0.27 -4.72 105.19 109.05 1oo2 n GLY 53 Ca 0.21 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.98 1oo2 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oo2 s GLU 54 N -2.08 1.64 -0.20 1.61 2.02 -1.26 -1.14 118.70 119.28 1oo2 s GLU 54 Ca 0.00 -1.86 -0.02 0.00 0.02 0.00 0.00 54.97 53.12 1oo2 s GLU 54 Cb 0.00 -1.24 0.06 0.00 0.10 0.00 0.00 34.13 33.05 1oo2 s GLU 54 CO 0.00 0.01 0.00 0.42 0.02 0.00 0.00 175.26 175.71 1oo2 s ILE 55 N -2.96 0.88 0.47 -1.63 1.01 -1.26 -0.52 121.20 117.19 1oo2 s ILE 55 Ca 0.31 -0.78 -0.18 0.00 0.00 0.00 0.00 60.65 60.01 1oo2 s ILE 55 Cb 0.05 -1.29 -0.09 0.00 0.01 0.00 0.00 42.46 41.14 1oo2 s ILE 55 CO 0.14 -0.15 0.96 -1.00 0.00 0.00 0.00 174.94 174.88 1oo2 s HIS 56 N 1.69 3.40 -1.31 3.97 3.76 -1.26 -3.93 115.29 121.61 1oo2 s HIS 56 Ca -0.02 1.50 -0.20 0.00 -0.15 0.00 0.00 55.06 56.18 1oo2 s HIS 56 Cb -0.18 -2.79 0.02 0.00 1.11 0.00 0.00 32.58 30.74 1oo2 s HIS 56 CO -0.07 -0.25 0.49 0.27 -0.85 0.00 0.00 174.74 174.33 1oo2 n ASN 57 N -1.18 -2.56 -0.04 1.40 0.23 -1.26 -4.88 115.26 106.96 1oo2 n ASN 57 Ca 0.06 -1.23 -0.13 0.00 -0.53 0.00 0.00 54.58 52.76 1oo2 n ASN 57 Cb 0.54 -2.02 -0.08 0.00 -2.08 0.00 0.00 39.78 36.14 1oo2 n ASN 57 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1oo2 h LEU 58 N -2.24 0.28 -8.34 -4.53 5.85 -1.82 -3.45 115.31 101.05 1oo2 h LEU 58 Ca -0.69 -0.47 -0.16 0.00 0.84 0.00 0.00 57.88 57.41 1oo2 h LEU 58 Cb 1.40 -0.08 -0.15 0.00 0.37 0.00 0.00 40.66 42.20 1oo2 h LEU 58 CO 0.57 0.68 -0.67 0.27 -0.34 0.00 0.00 178.44 178.96 1oo2 s ILE 59 N -4.35 0.24 0.44 4.05 -0.00 -1.26 -4.83 121.20 115.50 1oo2 s ILE 59 Ca -0.15 -1.86 0.05 0.00 -0.00 0.00 0.00 60.65 58.69 1oo2 s ILE 59 Cb 0.04 -1.74 0.01 0.00 -0.00 0.00 0.00 42.46 40.78 1oo2 s ILE 59 CO 0.73 -0.79 0.62 0.42 -0.00 0.00 0.00 174.94 175.92 1oo2 s THR 60 N -3.92 3.21 0.26 8.37 -4.23 -1.26 -4.61 115.64 113.46 1oo2 s THR 60 Ca 0.14 -0.85 -0.05 0.00 -1.18 0.00 0.00 61.69 59.74 1oo2 s THR 60 Cb 0.08 -3.12 0.26 0.00 1.34 0.00 0.00 72.50 71.05 1oo2 s THR 60 CO -0.05 -0.06 1.94 -0.33 -0.54 0.00 0.00 174.62 175.57 1oo2 h GLU 61 N 0.50 1.27 0.00 3.99 5.08 -1.93 -1.49 114.58 122.00 1oo2 h GLU 61 Ca -0.42 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 57.83 1oo2 h GLU 61 Cb 1.28 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1oo2 h GLU 61 CO 0.50 0.84 -0.13 1.96 -1.00 0.00 0.00 179.01 181.18 1oo2 h GLN 62 N 1.31 0.00 -0.11 2.33 7.50 -2.04 -0.49 115.11 123.61 1oo2 h GLN 62 Ca 0.36 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.51 1oo2 h GLN 62 Cb -0.13 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.40 1oo2 h GLN 62 CO -0.08 0.13 0.00 1.04 -1.50 0.00 0.00 178.83 178.42 1oo2 n GLN 63 N -4.26 1.48 -3.14 1.46 6.02 -0.57 -4.49 117.38 113.88 1oo2 n GLN 63 Ca -0.03 -0.73 -0.23 0.00 -0.01 0.00 0.00 57.00 56.01 1oo2 n GLN 63 Cb 0.20 -1.36 -0.05 0.00 1.02 0.00 0.00 30.24 30.06 1oo2 n GLN 63 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1oo2 n PHE 64 N -0.05 1.81 -1.77 1.08 7.35 -0.19 -4.91 117.46 120.78 1oo2 n PHE 64 Ca 0.15 -3.88 -0.29 0.00 -0.76 0.00 0.00 57.45 52.67 1oo2 n PHE 64 Cb 0.24 -0.45 0.08 0.00 0.35 0.00 0.00 39.48 39.70 1oo2 n PHE 64 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1oo2 s PRO 65 N -2.57 2.13 0.46 -7.13 0.04 -1.26 -4.70 135.00 121.97 1oo2 s PRO 65 Ca 0.42 0.35 -0.22 0.00 0.04 0.00 0.00 61.00 61.59 1oo2 s PRO 65 Cb 0.27 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.76 1oo2 s PRO 65 CO -0.09 -1.53 0.85 0.00 0.04 0.00 0.00 177.00 176.27 1oo2 n ALA 66 N -3.32 -0.34 0.00 8.56 0.00 -1.26 -4.86 120.51 119.29 1oo2 n ALA 66 Ca 0.07 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1oo2 n ALA 66 Cb 0.59 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1oo2 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oo2 n GLY 67 N 1.40 -1.75 3.76 0.00 0.00 -0.78 -5.00 105.19 102.81 1oo2 n GLY 67 Ca 0.11 -1.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 1oo2 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oo2 s VAL 68 N -2.04 5.20 0.16 1.61 1.01 -1.26 -0.32 120.40 124.76 1oo2 s VAL 68 Ca 0.00 0.77 0.09 0.00 0.00 0.00 0.00 61.98 62.85 1oo2 s VAL 68 Cb 0.00 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1oo2 s VAL 68 CO 0.00 0.42 -0.21 -0.31 0.00 0.00 0.00 175.10 175.00 1oo2 s TYR 69 N 0.12 1.98 -0.11 5.22 1.51 0.35 -1.27 117.35 125.15 1oo2 s TYR 69 Ca 0.22 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.86 1oo2 s TYR 69 Cb -0.15 -1.01 0.02 0.00 -0.11 0.00 0.00 41.96 40.72 1oo2 s TYR 69 CO 0.09 0.36 -0.11 0.50 -1.11 0.00 0.00 175.55 175.27 1oo2 s ARG 70 N -2.55 1.86 -0.22 -0.62 3.52 -0.03 -1.45 118.95 119.46 1oo2 s ARG 70 Ca 0.15 -0.41 -0.03 0.00 -0.13 0.00 0.00 55.73 55.31 1oo2 s ARG 70 Cb -0.07 -1.74 -0.00 0.00 -1.56 0.00 0.00 34.95 31.57 1oo2 s ARG 70 CO 0.07 -0.18 -0.06 0.08 -0.81 0.00 0.00 175.30 174.40 1oo2 s VAL 71 N 1.38 3.24 -0.29 7.11 1.01 -0.01 -0.58 120.40 132.26 1oo2 s VAL 71 Ca 0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 1oo2 s VAL 71 Cb -0.13 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1oo2 s VAL 71 CO -0.06 0.41 0.11 -0.70 0.00 0.00 0.00 175.10 174.87 1oo2 s GLU 72 N 1.45 3.40 -0.23 2.72 2.12 0.03 -0.75 118.70 127.45 1oo2 s GLU 72 Ca 0.05 -0.66 -0.10 0.00 0.36 0.00 0.00 54.97 54.62 1oo2 s GLU 72 Cb -0.14 -3.46 -0.05 0.00 0.26 0.00 0.00 34.13 30.74 1oo2 s GLU 72 CO -0.04 -0.35 0.15 -0.06 -0.54 0.00 0.00 175.26 174.42 1oo2 s PHE 73 N 1.60 3.34 -1.27 5.30 0.08 0.71 -1.55 117.98 126.19 1oo2 s PHE 73 Ca 0.05 0.26 -0.14 0.00 0.12 0.00 0.00 56.93 57.22 1oo2 s PHE 73 Cb -0.16 -2.24 0.14 0.00 -0.57 0.00 0.00 43.02 40.19 1oo2 s PHE 73 CO 0.05 0.13 1.67 -3.47 -0.10 0.00 0.00 175.22 173.50 1oo2 n ASP 74 N 4.05 5.01 0.16 1.36 -0.08 -0.27 -1.66 116.55 125.12 1oo2 n ASP 74 Ca -0.15 -2.98 0.03 0.00 -1.51 0.00 0.00 54.79 50.18 1oo2 n ASP 74 Cb 0.52 -1.60 0.18 0.00 2.34 0.00 0.00 41.12 42.57 1oo2 n ASP 74 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1oo2 h THR 75 N 4.58 0.95 -0.57 5.18 1.35 -1.86 -3.18 112.91 119.36 1oo2 h THR 75 Ca 0.39 -1.94 -0.08 0.00 -0.55 0.00 0.00 66.41 64.23 1oo2 h THR 75 Cb 0.80 2.19 -0.02 0.00 -1.73 0.00 0.00 68.15 69.38 1oo2 h THR 75 CO 1.43 0.47 0.05 0.50 -0.25 0.00 0.00 175.52 177.72 1oo2 h LYS 76 N 0.00 0.97 -0.15 4.72 3.64 -1.74 -2.15 116.57 121.85 1oo2 h LYS 76 Ca -0.00 -0.28 -0.10 0.00 -1.27 0.00 0.00 60.65 58.99 1oo2 h LYS 76 Cb 1.15 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1oo2 h LYS 76 CO 0.06 0.94 -0.36 0.00 -2.27 0.00 0.00 179.45 177.82 1oo2 h ALA 77 N 0.99 1.11 -0.45 5.00 0.00 -1.88 -0.35 119.26 123.67 1oo2 h ALA 77 Ca 0.17 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1oo2 h ALA 77 Cb 0.47 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1oo2 h ALA 77 CO 0.02 0.57 0.21 -0.92 0.00 0.00 0.00 179.25 179.13 1oo2 h TYR 78 N 0.26 0.39 -0.04 0.00 3.20 -1.41 -1.76 116.97 117.60 1oo2 h TYR 78 Ca 0.03 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.78 1oo2 h TYR 78 Cb 0.77 -0.11 0.01 0.00 1.54 0.00 0.00 36.73 38.94 1oo2 h TYR 78 CO 0.02 0.19 -0.51 -1.49 -1.64 0.00 0.00 178.16 174.73 1oo2 h TRP 79 N 0.43 0.59 -0.89 -3.82 4.06 -1.16 -2.57 115.95 112.58 1oo2 h TRP 79 Ca 0.20 -0.29 0.16 0.00 2.06 0.00 0.00 58.89 61.02 1oo2 h TRP 79 Cb 0.12 -0.08 -0.10 0.00 -1.00 0.00 0.00 29.16 28.10 1oo2 h TRP 79 CO -0.11 1.09 0.48 1.15 -3.56 0.00 0.00 178.44 177.48 1oo2 h THR 80 N -0.06 0.70 -0.13 1.49 2.02 -1.03 -0.54 112.91 115.35 1oo2 h THR 80 Ca -0.05 -0.22 -0.15 0.00 0.77 0.00 0.00 66.41 66.76 1oo2 h THR 80 Cb 1.19 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1oo2 h THR 80 CO 0.10 0.12 -0.54 0.78 0.37 0.00 0.00 175.52 176.35 1oo2 h ASN 81 N 0.64 0.43 0.83 4.18 2.35 -1.32 -3.09 115.58 119.61 1oo2 h ASN 81 Ca 0.50 -0.23 -0.08 0.00 -0.55 0.00 0.00 56.30 55.95 1oo2 h ASN 81 Cb 0.75 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 1oo2 h ASN 81 CO -0.38 0.89 -0.36 1.56 -1.65 0.00 0.00 177.43 177.49 1oo2 h GLN 82 N 0.30 0.00 0.00 0.81 1.08 -0.76 -3.47 115.11 113.07 1oo2 h GLN 82 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1oo2 h GLN 82 Cb 1.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 1oo2 h GLN 82 CO 0.09 0.36 0.00 0.41 -0.95 0.00 0.00 178.83 178.74 1oo2 n GLY 83 N 0.20 1.45 3.35 3.46 0.00 -0.35 -5.10 105.19 108.20 1oo2 n GLY 83 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1oo2 n GLY 83 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1oo2 s SER 84 N -2.00 3.53 -0.29 1.61 0.15 -0.71 -5.02 113.70 110.97 1oo2 s SER 84 Ca 0.00 -0.38 -0.19 0.00 0.70 0.00 0.00 55.95 56.07 1oo2 s SER 84 Cb 0.00 -0.96 -0.01 0.00 -1.71 0.00 0.00 66.02 63.34 1oo2 s SER 84 CO 0.00 0.26 0.59 0.28 1.20 0.00 0.00 173.24 175.57 1oo2 s THR 85 N -0.26 4.99 0.53 6.45 -1.32 -1.26 -3.46 115.64 121.31 1oo2 s THR 85 Ca 0.00 0.86 -0.02 0.00 -1.21 0.00 0.00 61.69 61.32 1oo2 s THR 85 Cb -0.13 -3.94 0.01 0.00 -1.51 0.00 0.00 72.50 66.93 1oo2 s THR 85 CO 0.03 -0.06 0.79 -2.16 -2.21 0.00 0.00 174.62 171.00 1oo2 s PRO 86 N 2.50 2.89 -0.11 7.08 0.04 -1.26 -4.87 135.00 141.26 1oo2 s PRO 86 Ca 0.24 -0.34 -0.18 0.00 0.04 0.00 0.00 61.00 60.75 1oo2 s PRO 86 Cb -0.15 -2.42 -0.27 0.00 0.04 0.00 0.00 34.50 31.70 1oo2 s PRO 86 CO 0.11 -0.54 0.57 0.35 0.04 0.00 0.00 177.00 177.53 1oo2 h PHE 87 N 0.09 0.37 -3.53 0.56 3.57 -1.40 -3.48 116.94 113.13 1oo2 h PHE 87 Ca -0.45 -0.27 -0.52 0.00 3.53 0.00 0.00 57.97 60.25 1oo2 h PHE 87 Cb 1.26 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.96 1oo2 h PHE 87 CO 0.44 1.48 0.02 -1.01 -2.23 0.00 0.00 178.31 177.02 1oo2 s HIS 88 N -2.44 3.53 0.17 0.41 3.76 -1.26 -4.98 115.29 114.47 1oo2 s HIS 88 Ca -0.20 1.18 -0.02 0.00 -0.15 0.00 0.00 55.06 55.86 1oo2 s HIS 88 Cb 0.04 -2.48 0.03 0.00 1.11 0.00 0.00 32.58 31.27 1oo2 s HIS 88 CO 0.75 0.28 1.41 0.93 -0.85 0.00 0.00 174.74 177.26 1oo2 h GLU 89 N 2.99 0.43 -2.63 1.40 4.39 -1.98 -3.38 114.58 115.80 1oo2 h GLU 89 Ca -0.48 -0.36 0.09 0.00 0.34 0.00 0.00 59.36 58.95 1oo2 h GLU 89 Cb 1.18 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 29.81 1oo2 h GLU 89 CO 0.66 1.00 0.36 0.14 -1.16 0.00 0.00 179.01 180.02 1oo2 s VAL 90 N -3.59 0.00 -0.20 3.13 -7.23 -1.26 -3.95 120.40 107.31 1oo2 s VAL 90 Ca -0.06 -0.42 -0.00 0.00 -1.81 0.00 0.00 61.98 59.69 1oo2 s VAL 90 Cb 0.10 -1.52 0.02 0.00 0.56 0.00 0.00 36.38 35.54 1oo2 s VAL 90 CO 0.85 0.00 -0.15 0.00 -0.31 0.00 0.00 175.10 175.48 1oo2 s ALA 91 N -3.50 2.47 -0.08 1.32 0.00 -0.67 -4.90 121.76 116.39 1oo2 s ALA 91 Ca 0.08 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 50.78 1oo2 s ALA 91 Cb -0.02 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 1oo2 s ALA 91 CO -0.03 -0.45 -0.09 -1.21 0.00 0.00 0.00 175.76 173.98 1oo2 s GLU 92 N 1.32 2.91 -0.15 0.00 2.02 -1.26 -0.21 118.70 123.33 1oo2 s GLU 92 Ca 0.04 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 54.44 1oo2 s GLU 92 Cb -0.14 -2.59 0.02 0.00 0.10 0.00 0.00 34.13 31.52 1oo2 s GLU 92 CO -0.10 0.53 -0.16 0.08 0.02 0.00 0.00 175.26 175.63 1oo2 s VAL 93 N -0.46 1.68 -0.11 2.63 1.01 0.07 -4.97 120.40 120.25 1oo2 s VAL 93 Ca 0.06 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1oo2 s VAL 93 Cb -0.12 -1.56 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 1oo2 s VAL 93 CO 0.02 0.48 -0.21 -0.69 0.00 0.00 0.00 175.10 174.70 1oo2 s VAL 94 N 1.41 2.35 -0.08 2.92 1.01 -1.26 -0.83 120.40 125.92 1oo2 s VAL 94 Ca 0.04 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 1oo2 s VAL 94 Cb -0.13 -1.92 0.07 0.00 0.00 0.00 0.00 36.38 34.39 1oo2 s VAL 94 CO -0.11 0.55 0.66 0.72 0.00 0.00 0.00 175.10 176.92 1oo2 s PHE 95 N 0.33 -0.64 -0.18 5.22 -0.71 -0.53 -5.00 117.98 116.47 1oo2 s PHE 95 Ca -0.16 1.17 -0.28 0.00 -1.04 0.00 0.00 56.93 56.62 1oo2 s PHE 95 Cb -0.17 0.37 -0.00 0.00 -1.21 0.00 0.00 43.02 42.00 1oo2 s PHE 95 CO 0.08 -0.57 0.96 0.34 -1.34 0.00 0.00 175.22 174.69 1oo2 s ASP 96 N -1.00 7.08 -0.01 1.98 2.15 -1.26 -0.49 116.67 125.12 1oo2 s ASP 96 Ca -0.10 1.34 0.02 0.00 0.43 0.00 0.00 52.55 54.24 1oo2 s ASP 96 Cb -0.01 -2.51 -0.03 0.00 -0.30 0.00 0.00 42.92 40.06 1oo2 s ASP 96 CO 0.08 -0.52 -0.03 0.00 -0.17 0.00 0.00 175.17 174.54 1oo2 s ALA 97 N 2.54 3.17 -0.50 3.66 0.00 0.57 -4.99 121.76 126.22 1oo2 s ALA 97 Ca 0.43 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.47 1oo2 s ALA 97 Cb -0.16 -1.27 0.18 0.00 0.00 0.00 0.00 23.12 21.87 1oo2 s ALA 97 CO 0.11 0.63 0.42 0.72 0.00 0.00 0.00 175.76 177.65 1oo2 n HIS 98 N 1.53 0.43 0.63 0.00 8.25 -1.26 -1.87 115.22 122.94 1oo2 n HIS 98 Ca -0.15 -3.63 0.12 0.00 -0.26 0.00 0.00 57.72 53.80 1oo2 n HIS 98 Cb 0.53 -0.08 0.46 0.00 1.12 0.00 0.00 29.99 32.02 1oo2 n HIS 98 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1oo2 n PRO 99 N 2.33 0.16 -1.73 -0.41 -0.02 -1.26 -4.63 135.00 129.45 1oo2 n PRO 99 Ca 0.26 0.23 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 1oo2 n PRO 99 Cb 0.45 -1.73 -0.02 0.00 -0.02 0.00 0.00 33.50 32.18 1oo2 n PRO 99 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1oo2 n GLU 100 N -2.02 2.58 -1.41 -0.52 0.00 -1.26 -1.19 120.64 116.82 1oo2 n GLU 100 Ca 0.05 0.92 0.00 0.00 0.00 0.00 0.00 57.16 58.13 1oo2 n GLU 100 Cb 0.33 -2.68 0.00 0.00 0.00 0.00 0.00 31.44 29.09 1oo2 n GLU 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1oo2 n GLY 101 N 2.30 0.77 3.35 -1.84 0.00 -1.26 -4.27 105.19 104.23 1oo2 n GLY 101 Ca 0.10 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 1oo2 n GLY 101 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1oo2 n HIS 102 N -3.18 -2.42 -2.78 1.61 8.25 -0.90 -5.00 115.22 110.81 1oo2 n HIS 102 Ca 0.00 0.91 -0.42 0.00 -0.26 0.00 0.00 57.72 57.94 1oo2 n HIS 102 Cb 0.33 -4.74 -0.03 0.00 1.12 0.00 0.00 29.99 26.67 1oo2 n HIS 102 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1oo2 s GLY 103 N -3.62 1.61 0.03 -1.41 0.00 -0.33 -4.78 107.32 98.82 1oo2 s GLY 103 Ca 0.35 -0.27 0.01 0.00 0.00 0.00 0.00 44.72 44.81 1oo2 s GLY 103 CO 0.67 2.03 0.11 0.30 0.00 0.00 0.00 173.10 176.21 1oo2 s HIS 104 N 3.36 3.32 -0.13 1.90 3.76 -1.26 -4.47 115.29 121.77 1oo2 s HIS 104 Ca 0.39 0.19 0.02 0.00 -0.15 0.00 0.00 55.06 55.51 1oo2 s HIS 104 Cb -0.13 -1.71 0.01 0.00 1.11 0.00 0.00 32.58 31.86 1oo2 s HIS 104 CO 0.15 0.56 -0.21 0.71 -0.85 0.00 0.00 174.74 175.10 1oo2 s TYR 105 N -1.32 2.53 -0.16 1.40 1.51 -0.70 -0.91 117.35 119.70 1oo2 s TYR 105 Ca 0.27 -1.27 0.01 0.00 -1.01 0.00 0.00 57.07 55.08 1oo2 s TYR 105 Cb -0.12 -1.74 0.01 0.00 -0.11 0.00 0.00 41.96 40.00 1oo2 s TYR 105 CO 0.19 -0.59 -0.20 0.99 -1.11 0.00 0.00 175.55 174.84 1oo2 s THR 106 N 0.85 2.16 -0.35 -0.71 2.01 -0.16 -0.62 115.64 118.82 1oo2 s THR 106 Ca -0.07 -0.93 -0.13 0.00 0.31 0.00 0.00 61.69 60.87 1oo2 s THR 106 Cb -0.15 -1.89 -0.01 0.00 0.01 0.00 0.00 72.50 70.45 1oo2 s THR 106 CO -0.02 0.54 0.25 -0.76 -0.69 0.00 0.00 174.62 173.94 1oo2 s LEU 107 N 1.05 4.61 0.02 4.42 1.43 -0.26 -0.97 118.68 128.99 1oo2 s LEU 107 Ca -0.01 -0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 52.54 1oo2 s LEU 107 Cb -0.14 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 43.89 1oo2 s LEU 107 CO -0.07 -0.27 0.27 0.00 0.23 0.00 0.00 176.35 176.52 1oo2 s ALA 108 N 1.72 3.85 -0.13 4.21 0.00 -0.10 -1.29 121.76 130.02 1oo2 s ALA 108 Ca 0.06 -0.59 -0.05 0.00 0.00 0.00 0.00 51.96 51.38 1oo2 s ALA 108 Cb -0.18 -2.05 0.06 0.00 0.00 0.00 0.00 23.12 20.95 1oo2 s ALA 108 CO 0.10 0.66 0.25 -1.17 0.00 0.00 0.00 175.76 175.61 1oo2 s LEU 109 N -1.90 -0.28 -0.21 0.00 0.20 -0.35 -1.49 118.68 114.66 1oo2 s LEU 109 Ca 0.29 0.54 -0.04 0.00 0.69 0.00 0.00 54.13 55.62 1oo2 s LEU 109 Cb -0.13 0.65 -0.01 0.00 -0.43 0.00 0.00 46.19 46.27 1oo2 s LEU 109 CO 0.18 -0.24 -0.05 -0.22 -0.29 0.00 0.00 176.35 175.72 1oo2 s LEU 110 N 2.40 2.90 -0.13 -0.68 2.96 0.57 -0.78 118.68 125.93 1oo2 s LEU 110 Ca 0.02 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 53.52 1oo2 s LEU 110 Cb -0.12 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 1oo2 s LEU 110 CO -0.08 0.01 0.01 -0.76 -1.32 0.00 0.00 176.35 174.20 1oo2 s LEU 111 N 1.31 3.55 0.14 -0.68 1.43 0.06 -1.41 118.68 123.09 1oo2 s LEU 111 Ca 0.04 0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 1oo2 s LEU 111 Cb -0.14 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1oo2 s LEU 111 CO -0.02 0.27 -0.12 -0.44 0.23 0.00 0.00 176.35 176.27 1oo2 s SER 112 N -0.24 1.90 0.35 2.29 0.01 0.37 -0.83 113.70 117.54 1oo2 s SER 112 Ca 0.06 -0.94 0.10 0.00 1.31 0.00 0.00 55.95 56.47 1oo2 s SER 112 Cb -0.12 -0.04 0.85 0.00 0.21 0.00 0.00 66.02 66.92 1oo2 s SER 112 CO 0.02 -0.26 1.82 -0.65 0.41 0.00 0.00 173.24 174.58 1oo2 h PRO 113 N 3.01 0.64 -0.12 12.44 0.11 -1.97 -2.86 132.00 143.24 1oo2 h PRO 113 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1oo2 h PRO 113 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1oo2 h PRO 113 CO 0.59 0.42 0.00 1.19 -0.21 0.00 0.00 178.00 180.00 1oo2 n PHE 114 N -4.64 0.33 -3.62 0.65 3.72 -1.26 -0.94 117.46 111.69 1oo2 n PHE 114 Ca 0.21 -0.80 -0.16 0.00 -0.05 0.00 0.00 57.45 56.65 1oo2 n PHE 114 Cb 0.59 -0.16 -0.07 0.00 -0.94 0.00 0.00 39.48 38.89 1oo2 n PHE 114 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1oo2 s SER 115 N -2.01 -0.54 0.04 4.37 0.15 -1.08 -4.92 113.70 109.72 1oo2 s SER 115 Ca 0.28 0.71 0.02 0.00 0.70 0.00 0.00 55.95 57.66 1oo2 s SER 115 Cb 0.22 0.69 -0.02 0.00 -1.71 0.00 0.00 66.02 65.20 1oo2 s SER 115 CO 0.06 -0.45 -0.08 -0.72 1.20 0.00 0.00 173.24 173.25 1oo2 s TYR 116 N -0.78 0.68 -0.14 3.44 -0.85 -1.26 -0.48 117.35 117.96 1oo2 s TYR 116 Ca -0.08 -0.51 -0.02 0.00 -0.52 0.00 0.00 57.07 55.94 1oo2 s TYR 116 Cb -0.02 -0.41 -0.02 0.00 0.38 0.00 0.00 41.96 41.89 1oo2 s TYR 116 CO 0.06 -0.09 -0.09 0.99 -1.52 0.00 0.00 175.55 174.90 1oo2 s THR 117 N -1.46 3.43 -0.01 -3.49 2.01 -0.50 -4.96 115.64 110.66 1oo2 s THR 117 Ca -0.09 -0.52 0.04 0.00 0.31 0.00 0.00 61.69 61.42 1oo2 s THR 117 Cb -0.09 -2.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 1oo2 s THR 117 CO 0.00 0.51 -0.13 0.28 -0.69 0.00 0.00 174.62 174.60 1oo2 s THR 118 N 0.34 1.00 0.10 -0.82 -1.32 -1.26 -0.31 115.64 113.37 1oo2 s THR 118 Ca -0.08 -0.54 0.02 0.00 -1.21 0.00 0.00 61.69 59.89 1oo2 s THR 118 Cb -0.15 -0.84 -0.04 0.00 -1.51 0.00 0.00 72.50 69.96 1oo2 s THR 118 CO 0.04 0.29 -0.08 0.42 -2.21 0.00 0.00 174.62 173.08 1oo2 s THR 119 N -0.24 0.78 0.09 5.08 -4.23 -0.56 -5.00 115.64 111.56 1oo2 s THR 119 Ca 0.04 -1.84 0.10 0.00 -1.18 0.00 0.00 61.69 58.81 1oo2 s THR 119 Cb -0.06 -1.57 -0.03 0.00 1.34 0.00 0.00 72.50 72.18 1oo2 s THR 119 CO -0.00 -0.77 -0.25 0.00 -0.54 0.00 0.00 174.62 173.06 1oo2 s ALA 120 N -3.22 2.39 -0.19 3.99 0.00 -1.26 -0.92 121.76 122.54 1oo2 s ALA 120 Ca 0.10 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 50.72 1oo2 s ALA 120 Cb 0.02 -0.48 0.03 0.00 0.00 0.00 0.00 23.12 22.69 1oo2 s ALA 120 CO -0.03 0.55 -0.18 0.08 0.00 0.00 0.00 175.76 176.17 1oo2 s VAL 121 N -0.96 2.11 -0.14 0.00 1.01 -0.14 -4.99 120.40 117.28 1oo2 s VAL 121 Ca 0.14 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1oo2 s VAL 121 Cb -0.10 -1.94 -0.00 0.00 0.00 0.00 0.00 36.38 34.34 1oo2 s VAL 121 CO 0.05 0.45 -0.17 -0.69 0.00 0.00 0.00 175.10 174.74 1oo2 s VAL 122 N 1.27 2.56 0.80 2.92 1.01 -1.26 -0.99 120.40 126.72 1oo2 s VAL 122 Ca 0.03 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 1oo2 s VAL 122 Cb -0.14 -2.07 0.07 0.00 0.00 0.00 0.00 36.38 34.25 1oo2 s VAL 122 CO -0.12 0.52 1.16 -0.94 0.00 0.00 0.00 175.10 175.73 1oo2 s SER 123 N 0.72 4.57 0.00 3.32 1.04 -0.09 -4.97 113.70 118.29 1oo2 s SER 123 Ca -0.07 0.87 0.00 0.00 0.48 0.00 0.00 55.95 57.23 1oo2 s SER 123 Cb -0.16 -1.43 0.00 0.00 0.10 0.00 0.00 66.02 64.53 1oo2 s SER 123 CO 0.01 -1.87 0.26 -0.24 0.98 0.00 0.00 173.24 172.38