#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sn0 s LEU 12 N 0.00 3.22 0.18 1.53 2.96 -1.26 0.18 118.68 125.49 1sn0 s LEU 12 Ca 0.00 -0.28 0.08 0.00 -0.22 0.00 0.00 54.13 53.71 1sn0 s LEU 12 Cb 0.00 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 1sn0 s LEU 12 CO 0.00 -0.02 -0.16 -0.04 -1.32 0.00 0.00 176.35 174.81 1sn0 s MET 13 N 1.51 1.27 0.08 1.98 -1.94 0.19 -4.64 119.30 117.74 1sn0 s MET 13 Ca 0.06 -1.48 0.04 0.00 -1.71 0.00 0.00 55.69 52.60 1sn0 s MET 13 Cb -0.15 -1.18 -0.03 0.00 2.01 0.00 0.00 34.83 35.49 1sn0 s MET 13 CO 0.01 0.22 -0.11 0.14 -0.01 0.00 0.00 175.02 175.26 1sn0 s VAL 14 N -2.51 0.94 -0.19 -6.03 -7.23 -1.26 -0.23 120.40 103.90 1sn0 s VAL 14 Ca 0.18 -1.39 -0.05 0.00 -1.81 0.00 0.00 61.98 58.92 1sn0 s VAL 14 Cb -0.03 -1.09 0.07 0.00 0.56 0.00 0.00 36.38 35.89 1sn0 s VAL 14 CO 0.06 -0.38 0.12 -0.75 -0.31 0.00 0.00 175.10 173.84 1sn0 s LYS 15 N -2.10 0.09 -0.20 4.82 2.47 -0.59 -4.24 119.74 119.98 1sn0 s LYS 15 Ca -0.01 -0.07 -0.05 0.00 -1.56 0.00 0.00 55.97 54.28 1sn0 s LYS 15 Cb -0.07 -1.66 -0.02 0.00 -1.46 0.00 0.00 37.83 34.61 1sn0 s LYS 15 CO 0.01 -0.70 -0.01 0.42 0.16 0.00 0.00 175.35 175.23 1sn0 s ILE 16 N 2.17 3.85 0.05 5.43 1.01 -0.33 -0.60 121.20 132.78 1sn0 s ILE 16 Ca 0.03 -0.35 0.07 0.00 0.00 0.00 0.00 60.65 60.40 1sn0 s ILE 16 Cb -0.16 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 1sn0 s ILE 16 CO -0.12 0.42 -0.15 -0.76 0.00 0.00 0.00 174.94 174.33 1sn0 s LEU 17 N 1.10 2.75 -0.37 2.97 1.43 0.43 -0.13 118.68 126.86 1sn0 s LEU 17 Ca 0.02 -0.39 -0.14 0.00 -1.03 0.00 0.00 54.13 52.60 1sn0 s LEU 17 Cb -0.14 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.48 1sn0 s LEU 17 CO 0.01 0.25 0.26 -0.62 0.23 0.00 0.00 176.35 176.48 1sn0 s ASP 18 N -1.55 6.05 0.00 2.29 -1.08 0.46 -0.51 116.67 122.33 1sn0 s ASP 18 Ca 0.16 -0.66 0.28 0.00 -0.52 0.00 0.00 52.55 51.80 1sn0 s ASP 18 Cb -0.11 -2.14 1.26 0.00 -1.46 0.00 0.00 42.92 40.48 1sn0 s ASP 18 CO 0.07 -0.34 1.91 0.00 0.52 0.00 0.00 175.17 177.33 1sn0 n ALA 19 N 5.12 2.30 -0.07 3.66 0.00 0.25 -0.84 120.51 130.94 1sn0 n ALA 19 Ca -0.12 -0.11 -0.20 0.00 0.00 0.00 0.00 53.44 53.02 1sn0 n ALA 19 Cb 0.48 -1.45 -0.13 0.00 0.00 0.00 0.00 19.45 18.36 1sn0 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sn0 h VAL 20 N 0.00 1.19 0.00 0.00 2.07 -1.93 -3.41 116.25 114.17 1sn0 h VAL 20 Ca 0.00 -2.28 -0.07 0.00 0.82 0.00 0.00 66.70 65.17 1sn0 h VAL 20 Cb 0.39 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 1sn0 h VAL 20 CO 0.00 0.50 -1.05 0.11 0.02 0.00 0.00 177.57 177.14 1sn0 h LYS 21 N -0.81 0.00 -1.01 1.57 1.79 -1.92 -3.48 116.57 112.71 1sn0 h LYS 21 Ca -0.24 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.10 1sn0 h LYS 21 Cb 1.34 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.99 1sn0 h LYS 21 CO -0.08 0.13 -0.17 0.41 -1.08 0.00 0.00 179.45 178.66 1sn0 n GLY 22 N 1.26 0.12 3.26 3.86 0.00 -0.02 -5.04 105.19 108.62 1sn0 n GLY 22 Ca -0.03 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 1sn0 n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sn0 s THR 23 N -2.36 0.58 0.82 2.61 -4.23 -1.22 -5.00 115.64 106.83 1sn0 s THR 23 Ca 0.01 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.40 1sn0 s THR 23 Cb -0.00 -2.32 0.08 0.00 1.34 0.00 0.00 72.50 71.59 1sn0 s THR 23 CO 0.01 -0.28 1.11 -2.65 -0.54 0.00 0.00 174.62 172.27 1sn0 n PRO 24 N -0.32 0.13 -3.20 3.99 -0.02 -1.26 -0.40 135.00 133.92 1sn0 n PRO 24 Ca -0.04 0.12 -0.44 0.00 -2.02 0.00 0.00 63.50 61.12 1sn0 n PRO 24 Cb 0.64 -2.37 -0.06 0.00 -0.02 0.00 0.00 33.50 31.70 1sn0 n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sn0 s ALA 25 N -2.15 3.45 0.45 3.55 0.00 0.82 -4.51 121.76 123.36 1sn0 s ALA 25 Ca 0.72 -2.03 -0.05 0.00 0.00 0.00 0.00 51.96 50.59 1sn0 s ALA 25 Cb -0.29 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 1sn0 s ALA 25 CO 0.52 -2.07 0.75 0.20 0.00 0.00 0.00 175.76 175.17 1sn0 s GLY 26 N 3.05 1.57 -1.59 0.00 0.00 -1.26 -4.14 107.32 104.95 1sn0 s GLY 26 Ca 0.11 -0.50 -0.03 0.00 0.00 0.00 0.00 44.72 44.30 1sn0 s GLY 26 CO 0.08 -0.34 0.40 1.44 0.00 0.00 0.00 173.10 174.68 1sn0 n SER 27 N -2.02 -5.94 -4.62 1.64 7.64 -0.60 -4.94 113.62 104.78 1sn0 n SER 27 Ca 0.00 -0.19 -0.40 0.00 1.01 0.00 0.00 58.87 59.29 1sn0 n SER 27 Cb 0.55 -4.82 -0.07 0.00 -1.01 0.00 0.00 64.21 58.85 1sn0 n SER 27 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1sn0 s VAL 28 N -3.12 5.06 0.27 0.44 1.01 -1.26 -4.76 120.40 118.06 1sn0 s VAL 28 Ca 0.20 0.90 -0.29 0.00 0.00 0.00 0.00 61.98 62.79 1sn0 s VAL 28 Cb -0.09 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 1sn0 s VAL 28 CO 0.25 0.08 1.04 0.00 0.00 0.00 0.00 175.10 176.47 1sn0 s ALA 29 N 2.31 3.37 0.11 5.51 0.00 -1.26 -1.45 121.76 130.35 1sn0 s ALA 29 Ca 0.22 0.78 -0.07 0.00 0.00 0.00 0.00 51.96 52.89 1sn0 s ALA 29 Cb -0.16 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 1sn0 s ALA 29 CO 0.09 -0.03 0.17 -0.48 0.00 0.00 0.00 175.76 175.52 1sn0 s LEU 30 N -1.42 1.48 -0.00 0.00 0.05 -0.23 0.23 118.68 118.80 1sn0 s LEU 30 Ca 0.44 -0.80 -0.00 0.00 0.05 0.00 0.00 54.13 53.81 1sn0 s LEU 30 Cb -0.29 0.90 -0.00 0.00 -2.05 0.00 0.00 46.19 44.74 1sn0 s LEU 30 CO 0.37 -0.75 0.01 -1.59 -0.55 0.00 0.00 176.35 173.84 1sn0 s LYS 31 N -3.91 0.04 -0.19 1.48 -2.85 -0.47 -1.65 119.74 112.18 1sn0 s LYS 31 Ca 0.10 -0.03 -0.03 0.00 -1.00 0.00 0.00 55.97 55.00 1sn0 s LYS 31 Cb 0.05 0.02 -0.01 0.00 -2.06 0.00 0.00 37.83 35.82 1sn0 s LYS 31 CO -0.07 -0.01 -0.05 0.08 0.10 0.00 0.00 175.35 175.40 1sn0 s VAL 32 N -0.11 3.48 0.15 1.79 1.01 0.59 -0.94 120.40 126.36 1sn0 s VAL 32 Ca -0.01 -0.48 0.10 0.00 0.00 0.00 0.00 61.98 61.59 1sn0 s VAL 32 Cb -0.01 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1sn0 s VAL 32 CO -0.00 0.45 -0.23 -0.44 0.00 0.00 0.00 175.10 174.89 1sn0 s SER 33 N 1.05 3.00 -0.08 3.32 0.01 0.94 -0.56 113.70 121.39 1sn0 s SER 33 Ca 0.01 -0.79 0.03 0.00 1.31 0.00 0.00 55.95 56.51 1sn0 s SER 33 Cb -0.15 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 65.87 1sn0 s SER 33 CO -0.00 0.08 -0.19 -1.58 0.41 0.00 0.00 173.24 171.96 1sn0 s GLN 34 N -2.37 2.81 0.17 12.44 0.74 0.12 -0.71 119.66 132.85 1sn0 s GLN 34 Ca 0.14 -0.78 -0.30 0.00 0.05 0.00 0.00 55.36 54.47 1sn0 s GLN 34 Cb -0.08 -2.37 -0.08 0.00 1.10 0.00 0.00 33.01 31.58 1sn0 s GLN 34 CO 0.07 0.39 1.29 0.21 -0.55 0.00 0.00 175.29 176.69 1sn0 s LYS 35 N -0.14 4.40 0.35 1.67 2.20 0.28 -0.35 119.74 128.16 1sn0 s LYS 35 Ca -0.03 1.99 0.03 0.00 -0.36 0.00 0.00 55.97 57.60 1sn0 s LYS 35 Cb -0.14 -3.23 -0.02 0.00 -1.51 0.00 0.00 37.83 32.94 1sn0 s LYS 35 CO 0.04 -0.25 0.52 0.95 -0.36 0.00 0.00 175.35 176.25 1sn0 s THR 36 N 0.34 4.54 0.22 3.43 -4.23 0.13 -4.75 115.64 115.32 1sn0 s THR 36 Ca 0.57 -0.73 -0.19 0.00 -1.18 0.00 0.00 61.69 60.17 1sn0 s THR 36 Cb -0.35 -3.63 0.21 0.00 1.34 0.00 0.00 72.50 70.07 1sn0 s THR 36 CO 0.36 -0.34 1.55 0.00 -0.54 0.00 0.00 174.62 175.65 1sn0 h ALA 37 N 0.78 0.10 0.00 3.99 0.00 -1.96 0.23 119.26 122.40 1sn0 h ALA 37 Ca -0.48 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1sn0 h ALA 37 Cb 1.24 1.03 0.00 0.00 0.00 0.00 0.00 17.79 20.06 1sn0 h ALA 37 CO 0.58 -0.65 0.00 -0.40 0.00 0.00 0.00 179.25 178.78 1sn0 n ASP 38 N -5.46 0.28 0.00 0.00 5.75 -1.26 -4.80 116.55 111.06 1sn0 n ASP 38 Ca 0.09 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1sn0 n ASP 38 Cb 0.39 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 1sn0 n ASP 38 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sn0 n GLY 39 N 0.33 0.73 0.77 6.12 0.00 0.07 -5.06 105.19 108.14 1sn0 n GLY 39 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1sn0 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sn0 n GLY 40 N -2.46 0.87 3.23 -0.02 0.00 -1.24 -4.80 105.19 100.78 1sn0 n GLY 40 Ca 0.00 -1.99 -0.24 0.00 0.00 0.00 0.00 46.02 43.79 1sn0 n GLY 40 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sn0 s TRP 41 N -0.35 1.70 -0.07 1.61 0.52 -1.26 0.19 118.94 121.29 1sn0 s TRP 41 Ca 0.13 -0.37 0.03 0.00 0.02 0.00 0.00 56.10 55.91 1sn0 s TRP 41 Cb -0.01 -1.00 0.00 0.00 -1.15 0.00 0.00 33.47 31.31 1sn0 s TRP 41 CO 0.09 0.09 -0.17 -0.08 0.02 0.00 0.00 176.95 176.90 1sn0 s THR 42 N -0.85 1.51 -0.03 2.01 -1.32 0.53 -4.89 115.64 112.60 1sn0 s THR 42 Ca 0.06 -0.72 -0.30 0.00 -1.21 0.00 0.00 61.69 59.52 1sn0 s THR 42 Cb -0.09 -1.32 -0.03 0.00 -1.51 0.00 0.00 72.50 69.54 1sn0 s THR 42 CO 0.02 0.44 1.16 -1.58 -2.21 0.00 0.00 174.62 172.45 1sn0 s GLN 43 N 0.37 4.39 -0.03 7.08 0.74 -1.26 0.10 119.66 131.05 1sn0 s GLN 43 Ca -0.12 1.64 0.09 0.00 0.05 0.00 0.00 55.36 57.02 1sn0 s GLN 43 Cb -0.15 -3.51 -0.14 0.00 1.10 0.00 0.00 33.01 30.31 1sn0 s GLN 43 CO 0.05 -0.36 0.18 0.44 -0.55 0.00 0.00 175.29 175.04 1sn0 n ILE 44 N 4.41 0.12 -3.52 -2.34 -5.35 0.27 -4.93 119.36 108.02 1sn0 n ILE 44 Ca 0.10 -0.25 -0.11 0.00 -0.27 0.00 0.00 62.75 62.22 1sn0 n ILE 44 Cb 0.47 0.08 -0.04 0.00 -1.74 0.00 0.00 39.64 38.41 1sn0 n ILE 44 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sn0 s ALA 45 N -2.58 -1.82 0.18 -1.28 0.00 -1.10 -5.01 121.76 110.14 1sn0 s ALA 45 Ca -0.04 1.21 0.02 0.00 0.00 0.00 0.00 51.96 53.16 1sn0 s ALA 45 Cb 0.05 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 1sn0 s ALA 45 CO 0.39 -0.51 -0.01 0.95 0.00 0.00 0.00 175.76 176.59 1sn0 s THR 46 N -2.13 0.77 -0.04 0.00 -4.23 -1.26 -0.30 115.64 108.44 1sn0 s THR 46 Ca -0.01 -1.99 -0.29 0.00 -1.18 0.00 0.00 61.69 58.22 1sn0 s THR 46 Cb -0.01 -2.13 0.09 0.00 1.34 0.00 0.00 72.50 71.79 1sn0 s THR 46 CO -0.02 -0.47 1.29 0.61 -0.54 0.00 0.00 174.62 175.49 1sn0 n GLY 47 N -0.27 0.18 2.89 3.99 0.00 -0.66 -4.99 105.19 106.34 1sn0 n GLY 47 Ca -0.07 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 1sn0 n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sn0 s VAL 48 N -2.01 -0.04 0.57 1.61 1.01 -1.26 -1.07 120.40 119.21 1sn0 s VAL 48 Ca 0.30 0.13 -0.20 0.00 0.00 0.00 0.00 61.98 62.21 1sn0 s VAL 48 Cb -0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.18 1sn0 s VAL 48 CO -0.01 0.05 1.26 0.42 0.00 0.00 0.00 175.10 176.82 1sn0 s THR 49 N 0.76 2.43 0.21 3.92 -4.23 -0.52 -4.80 115.64 113.40 1sn0 s THR 49 Ca -0.06 0.29 -0.02 0.00 -1.18 0.00 0.00 61.69 60.72 1sn0 s THR 49 Cb -0.08 -3.13 0.05 0.00 1.34 0.00 0.00 72.50 70.67 1sn0 s THR 49 CO -0.03 -0.04 0.28 -0.90 -0.54 0.00 0.00 174.62 173.39 1sn0 n ASP 50 N -1.32 0.13 0.30 3.99 5.68 -0.24 -1.56 116.55 123.52 1sn0 n ASP 50 Ca 0.12 -1.17 0.20 0.00 -0.50 0.00 0.00 54.79 53.44 1sn0 n ASP 50 Cb 0.48 -0.20 0.94 0.00 -1.14 0.00 0.00 41.12 41.19 1sn0 n ASP 50 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sn0 h ALA 51 N -1.41 1.00 -0.42 2.12 0.00 -1.92 -0.61 119.26 118.02 1sn0 h ALA 51 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1sn0 h ALA 51 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1sn0 h ALA 51 CO 0.07 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.57 1sn0 n THR 52 N -3.01 0.56 -1.78 0.00 -2.24 -1.26 -4.55 114.28 102.00 1sn0 n THR 52 Ca -0.01 -0.61 -0.11 0.00 -2.27 0.00 0.00 64.05 61.05 1sn0 n THR 52 Cb 0.17 0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.78 1sn0 n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sn0 n GLY 53 N 1.27 0.55 3.51 3.38 0.00 -0.24 -4.73 105.19 108.94 1sn0 n GLY 53 Ca 0.17 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 1sn0 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sn0 s GLU 54 N -3.77 1.75 -0.10 1.61 2.02 -1.26 -1.18 118.70 117.77 1sn0 s GLU 54 Ca 0.00 -1.96 -0.02 0.00 0.02 0.00 0.00 54.97 53.01 1sn0 s GLU 54 Cb 0.00 -1.24 0.04 0.00 0.10 0.00 0.00 34.13 33.02 1sn0 s GLU 54 CO 0.00 -0.08 0.01 0.42 0.02 0.00 0.00 175.26 175.63 1sn0 s ILE 55 N -3.00 0.41 0.05 -1.63 1.01 -1.26 -1.08 121.20 115.70 1sn0 s ILE 55 Ca 0.35 -0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.82 1sn0 s ILE 55 Cb 0.08 -0.65 -0.06 0.00 0.01 0.00 0.00 42.46 41.84 1sn0 s ILE 55 CO 0.16 0.15 0.46 -1.00 0.00 0.00 0.00 174.94 174.71 1sn0 s HIS 56 N 1.95 3.69 -1.24 3.97 3.76 -1.26 -4.17 115.29 121.99 1sn0 s HIS 56 Ca 0.04 1.01 -0.01 0.00 -0.15 0.00 0.00 55.06 55.94 1sn0 s HIS 56 Cb -0.13 -2.31 -0.01 0.00 1.11 0.00 0.00 32.58 31.24 1sn0 s HIS 56 CO -0.06 0.57 0.84 0.09 -0.85 0.00 0.00 174.74 175.33 1sn0 n ASN 57 N 1.42 -2.04 -0.01 1.40 3.02 -1.26 -4.92 115.26 112.87 1sn0 n ASN 57 Ca -0.11 -0.74 -0.13 0.00 -0.03 0.00 0.00 54.58 53.58 1sn0 n ASN 57 Cb 0.52 -4.54 -0.09 0.00 -0.61 0.00 0.00 39.78 35.06 1sn0 n ASN 57 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1sn0 h LEU 58 N -1.82 0.05 -8.35 3.41 5.85 -1.82 -3.46 115.31 109.16 1sn0 h LEU 58 Ca -0.60 -0.39 -0.15 0.00 0.84 0.00 0.00 57.88 57.58 1sn0 h LEU 58 Cb 1.35 -0.01 -0.13 0.00 0.37 0.00 0.00 40.66 42.23 1sn0 h LEU 58 CO 0.53 0.43 -0.43 0.27 -0.34 0.00 0.00 178.44 178.90 1sn0 s ILE 59 N -4.65 0.03 0.40 4.05 -4.36 -1.26 -4.85 121.20 110.57 1sn0 s ILE 59 Ca -0.15 -1.68 0.08 0.00 -0.26 0.00 0.00 60.65 58.63 1sn0 s ILE 59 Cb 0.03 -2.18 -0.02 0.00 1.25 0.00 0.00 42.46 41.54 1sn0 s ILE 59 CO 0.68 -0.16 0.40 0.42 0.24 0.00 0.00 174.94 176.52 1sn0 s THR 60 N -4.06 2.86 0.22 8.37 -4.23 -1.26 -4.57 115.64 112.97 1sn0 s THR 60 Ca 0.27 -1.29 -0.08 0.00 -1.18 0.00 0.00 61.69 59.41 1sn0 s THR 60 Cb 0.04 -3.03 0.16 0.00 1.34 0.00 0.00 72.50 71.01 1sn0 s THR 60 CO 0.06 -0.03 1.79 -0.33 -0.54 0.00 0.00 174.62 175.58 1sn0 h GLU 61 N 1.00 0.62 0.00 3.99 3.07 -2.02 -0.87 114.58 120.37 1sn0 h GLU 61 Ca -0.42 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.38 1sn0 h GLU 61 Cb 1.27 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 29.03 1sn0 h GLU 61 CO 0.56 0.41 -0.14 1.96 -1.40 0.00 0.00 179.01 180.39 1sn0 h GLN 62 N 0.64 0.00 -0.00 2.33 1.08 -2.02 -2.16 115.11 114.97 1sn0 h GLN 62 Ca 0.33 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.53 1sn0 h GLN 62 Cb 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1sn0 h GLN 62 CO -0.23 0.14 -0.22 0.94 -0.95 0.00 0.00 178.83 178.51 1sn0 n GLN 63 N -3.30 0.50 -3.22 1.46 7.27 -0.39 -4.38 117.38 115.32 1sn0 n GLN 63 Ca 0.00 -0.23 -0.26 0.00 0.07 0.00 0.00 57.00 56.58 1sn0 n GLN 63 Cb 0.38 -1.50 -0.06 0.00 2.41 0.00 0.00 30.24 31.47 1sn0 n GLN 63 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1sn0 n PHE 64 N -1.05 3.17 -2.37 3.69 7.35 -0.81 -4.89 117.46 122.54 1sn0 n PHE 64 Ca 0.11 -4.02 -0.27 0.00 -0.76 0.00 0.00 57.45 52.51 1sn0 n PHE 64 Cb 0.32 -0.51 0.03 0.00 0.35 0.00 0.00 39.48 39.67 1sn0 n PHE 64 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1sn0 s PRO 65 N -2.69 3.06 0.45 -7.13 0.04 -1.26 -4.70 135.00 122.76 1sn0 s PRO 65 Ca 0.43 0.10 -0.22 0.00 0.04 0.00 0.00 61.00 61.35 1sn0 s PRO 65 Cb 0.21 -2.26 -0.12 0.00 0.04 0.00 0.00 34.50 32.37 1sn0 s PRO 65 CO -0.07 -0.63 0.60 0.00 0.04 0.00 0.00 177.00 176.94 1sn0 n ALA 66 N -2.57 -1.21 0.00 8.56 0.00 -1.26 -4.89 120.51 119.14 1sn0 n ALA 66 Ca 0.04 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1sn0 n ALA 66 Cb 0.57 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1sn0 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sn0 n GLY 67 N 1.71 0.79 3.74 0.00 0.00 -0.79 -4.98 105.19 105.65 1sn0 n GLY 67 Ca 0.11 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.12 1sn0 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sn0 s VAL 68 N -1.57 5.11 0.22 1.61 1.01 -1.26 0.16 120.40 125.68 1sn0 s VAL 68 Ca 0.00 1.06 0.11 0.00 0.00 0.00 0.00 61.98 63.15 1sn0 s VAL 68 Cb 0.00 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 1sn0 s VAL 68 CO 0.00 0.35 -0.21 -0.31 0.00 0.00 0.00 175.10 174.93 1sn0 s TYR 69 N 0.36 2.19 -0.06 5.22 1.51 0.46 -0.55 117.35 126.46 1sn0 s TYR 69 Ca 0.28 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.97 1sn0 s TYR 69 Cb -0.16 -1.03 0.02 0.00 -0.11 0.00 0.00 41.96 40.69 1sn0 s TYR 69 CO 0.13 0.55 -0.05 0.50 -1.11 0.00 0.00 175.55 175.57 1sn0 s ARG 70 N -3.08 1.03 -0.21 -0.62 3.52 0.11 -1.25 118.95 118.44 1sn0 s ARG 70 Ca 0.24 -0.13 -0.01 0.00 -0.13 0.00 0.00 55.73 55.69 1sn0 s ARG 70 Cb -0.06 -1.07 0.01 0.00 -1.56 0.00 0.00 34.95 32.28 1sn0 s ARG 70 CO 0.11 -0.14 -0.11 0.08 -0.81 0.00 0.00 175.30 174.43 1sn0 s VAL 71 N 1.21 2.70 -0.20 7.11 1.01 0.55 -0.04 120.40 132.74 1sn0 s VAL 71 Ca -0.06 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 1sn0 s VAL 71 Cb -0.14 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 1sn0 s VAL 71 CO -0.02 0.41 0.11 -1.61 0.00 0.00 0.00 175.10 173.99 1sn0 s GLU 72 N 1.36 4.07 -0.13 2.72 2.02 -0.11 -0.42 118.70 128.21 1sn0 s GLU 72 Ca 0.04 -0.28 -0.01 0.00 0.02 0.00 0.00 54.97 54.74 1sn0 s GLU 72 Cb -0.14 -3.36 -0.02 0.00 0.10 0.00 0.00 34.13 30.71 1sn0 s GLU 72 CO -0.08 0.23 -0.12 -0.06 0.02 0.00 0.00 175.26 175.26 1sn0 s PHE 73 N 0.53 2.84 -1.27 1.61 0.40 0.72 -1.37 117.98 121.44 1sn0 s PHE 73 Ca 0.06 -0.56 -0.14 0.00 -0.60 0.00 0.00 56.93 55.68 1sn0 s PHE 73 Cb -0.12 -1.85 0.13 0.00 0.51 0.00 0.00 43.02 41.69 1sn0 s PHE 73 CO 0.00 -0.16 1.66 -3.47 0.70 0.00 0.00 175.22 173.95 1sn0 n ASP 74 N 3.46 5.00 0.10 1.36 -0.08 0.14 -1.91 116.55 124.61 1sn0 n ASP 74 Ca -0.18 -2.97 -0.04 0.00 -1.51 0.00 0.00 54.79 50.09 1sn0 n ASP 74 Cb 0.53 -1.62 0.03 0.00 2.34 0.00 0.00 41.12 42.39 1sn0 n ASP 74 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1sn0 h THR 75 N 4.75 1.58 -0.40 5.18 1.35 -1.85 -3.14 112.91 120.38 1sn0 h THR 75 Ca 0.39 -2.76 0.02 0.00 -0.55 0.00 0.00 66.41 63.51 1sn0 h THR 75 Cb 0.82 2.49 -0.03 0.00 -1.73 0.00 0.00 68.15 69.70 1sn0 h THR 75 CO 1.42 0.79 0.22 0.50 -0.25 0.00 0.00 175.52 178.20 1sn0 h LYS 76 N 0.00 0.43 -0.69 4.72 3.64 -1.75 -1.33 116.57 121.59 1sn0 h LYS 76 Ca -0.01 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 1sn0 h LYS 76 Cb 1.43 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 33.12 1sn0 h LYS 76 CO 0.10 0.29 0.23 0.00 -2.27 0.00 0.00 179.45 177.80 1sn0 h ALA 77 N 1.19 0.91 -0.21 5.00 0.00 -1.90 -1.14 119.26 123.11 1sn0 h ALA 77 Ca 0.16 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1sn0 h ALA 77 Cb 0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1sn0 h ALA 77 CO -0.09 0.57 0.03 -0.92 0.00 0.00 0.00 179.25 178.84 1sn0 h TYR 78 N 1.01 0.05 -0.38 0.00 3.20 -1.39 0.72 116.97 120.18 1sn0 h TYR 78 Ca 0.22 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.04 1sn0 h TYR 78 Cb 0.28 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1sn0 h TYR 78 CO 0.02 0.01 -0.02 -1.49 -1.64 0.00 0.00 178.16 175.03 1sn0 h TRP 79 N 0.11 0.75 -0.39 -3.82 4.06 -1.12 -2.03 115.95 113.51 1sn0 h TRP 79 Ca 0.10 -0.14 0.07 0.00 2.06 0.00 0.00 58.89 60.97 1sn0 h TRP 79 Cb 0.10 -0.19 -0.06 0.00 -1.00 0.00 0.00 29.16 28.01 1sn0 h TRP 79 CO -0.15 0.79 0.03 1.15 -3.56 0.00 0.00 178.44 176.69 1sn0 h THR 80 N 0.50 0.74 0.00 1.49 2.02 -0.94 -0.23 112.91 116.49 1sn0 h THR 80 Ca 0.10 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.19 1sn0 h THR 80 Cb 0.51 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1sn0 h THR 80 CO 0.02 0.03 -0.20 -1.13 0.37 0.00 0.00 175.52 174.61 1sn0 h ASN 81 N 0.14 0.00 0.39 4.18 -1.24 -0.75 -1.63 115.58 116.67 1sn0 h ASN 81 Ca 0.19 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.20 1sn0 h ASN 81 Cb 0.26 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.31 1sn0 h ASN 81 CO -0.29 0.20 -0.07 1.67 -1.29 0.00 0.00 177.43 177.64 1sn0 n GLN 82 N -3.97 0.64 -0.53 6.67 -0.06 -0.41 -4.92 117.38 114.80 1sn0 n GLN 82 Ca -0.02 -0.16 0.00 0.00 -2.00 0.00 0.00 57.00 54.82 1sn0 n GLN 82 Cb 0.28 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.96 1sn0 n GLN 82 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1sn0 n GLY 83 N 1.26 0.74 3.83 1.69 0.00 -0.55 -5.06 105.19 107.11 1sn0 n GLY 83 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1sn0 n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sn0 s SER 84 N -2.17 5.64 -0.30 1.61 0.01 -0.23 -4.99 113.70 113.27 1sn0 s SER 84 Ca 0.00 -0.13 -0.08 0.00 1.31 0.00 0.00 55.95 57.05 1sn0 s SER 84 Cb 0.00 -1.50 0.00 0.00 0.21 0.00 0.00 66.02 64.73 1sn0 s SER 84 CO 0.00 0.02 0.11 0.42 0.41 0.00 0.00 173.24 174.21 1sn0 s THR 85 N -1.89 4.26 0.52 1.44 -4.23 -1.26 -3.26 115.64 111.21 1sn0 s THR 85 Ca 0.32 -0.57 -0.01 0.00 -1.18 0.00 0.00 61.69 60.25 1sn0 s THR 85 Cb -0.09 -3.19 0.01 0.00 1.34 0.00 0.00 72.50 70.57 1sn0 s THR 85 CO 0.25 0.07 0.76 -2.16 -0.54 0.00 0.00 174.62 173.00 1sn0 s PRO 86 N 1.55 2.85 -0.16 3.99 0.04 -1.26 -4.86 135.00 137.15 1sn0 s PRO 86 Ca 0.04 -0.47 -0.22 0.00 0.04 0.00 0.00 61.00 60.39 1sn0 s PRO 86 Cb -0.17 -2.47 -0.19 0.00 0.04 0.00 0.00 34.50 31.71 1sn0 s PRO 86 CO 0.04 -0.52 0.44 0.35 0.04 0.00 0.00 177.00 177.35 1sn0 h PHE 87 N 0.15 0.00 -3.89 0.56 3.57 -1.15 -3.48 116.94 112.71 1sn0 h PHE 87 Ca -0.45 0.00 -0.47 0.00 3.53 0.00 0.00 57.97 60.58 1sn0 h PHE 87 Cb 1.27 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 1sn0 h PHE 87 CO 0.43 0.96 0.36 -1.01 -2.23 0.00 0.00 178.31 176.82 1sn0 s HIS 88 N -2.19 3.64 -0.23 0.41 3.76 -1.26 -4.94 115.29 114.49 1sn0 s HIS 88 Ca -0.19 1.77 0.17 0.00 -0.15 0.00 0.00 55.06 56.65 1sn0 s HIS 88 Cb 0.00 -2.96 0.12 0.00 1.11 0.00 0.00 32.58 30.85 1sn0 s HIS 88 CO 0.54 0.09 1.45 1.49 -0.85 0.00 0.00 174.74 177.46 1sn0 h GLU 89 N 3.14 0.00 -1.97 1.40 4.57 -1.99 -3.38 114.58 116.35 1sn0 h GLU 89 Ca -0.47 0.00 0.19 0.00 -1.18 0.00 0.00 59.36 57.90 1sn0 h GLU 89 Cb 1.20 0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 29.64 1sn0 h GLU 89 CO 0.65 0.36 0.62 0.54 -1.18 0.00 0.00 179.01 180.00 1sn0 s VAL 90 N -3.03 0.00 -0.19 0.32 0.11 -1.26 -4.30 120.40 112.04 1sn0 s VAL 90 Ca 0.04 -0.13 0.01 0.00 -2.93 0.00 0.00 61.98 58.97 1sn0 s VAL 90 Cb 0.07 -1.27 0.02 0.00 -1.53 0.00 0.00 36.38 33.67 1sn0 s VAL 90 CO 0.73 0.00 -0.18 0.00 -3.33 0.00 0.00 175.10 172.32 1sn0 s ALA 91 N -2.87 2.38 -0.11 1.54 0.00 -0.80 -4.92 121.76 116.98 1sn0 s ALA 91 Ca 0.08 -1.30 -0.00 0.00 0.00 0.00 0.00 51.96 50.74 1sn0 s ALA 91 Cb -0.00 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 1sn0 s ALA 91 CO -0.05 -0.48 -0.09 -1.21 0.00 0.00 0.00 175.76 173.93 1sn0 s GLU 92 N 1.27 3.18 -0.23 0.00 2.02 -1.26 -0.20 118.70 123.48 1sn0 s GLU 92 Ca 0.03 -0.60 0.02 0.00 0.02 0.00 0.00 54.97 54.44 1sn0 s GLU 92 Cb -0.14 -2.67 0.04 0.00 0.10 0.00 0.00 34.13 31.46 1sn0 s GLU 92 CO -0.12 0.40 -0.15 0.08 0.02 0.00 0.00 175.26 175.50 1sn0 s VAL 93 N -0.12 2.16 -0.13 2.63 1.01 0.45 -4.97 120.40 121.43 1sn0 s VAL 93 Ca 0.00 -1.31 0.03 0.00 0.00 0.00 0.00 61.98 60.70 1sn0 s VAL 93 Cb -0.13 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.15 1sn0 s VAL 93 CO 0.03 0.22 -0.21 -0.69 0.00 0.00 0.00 175.10 174.45 1sn0 s VAL 94 N 1.19 1.95 0.05 2.92 1.01 -1.26 -0.33 120.40 125.93 1sn0 s VAL 94 Ca -0.03 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 60.83 1sn0 s VAL 94 Cb -0.17 -1.72 0.05 0.00 0.00 0.00 0.00 36.38 34.53 1sn0 s VAL 94 CO -0.08 0.53 0.48 0.72 0.00 0.00 0.00 175.10 176.75 1sn0 s PHE 95 N 0.77 -0.37 -0.15 5.22 -0.71 -0.38 -4.99 117.98 117.37 1sn0 s PHE 95 Ca -0.09 0.39 -0.25 0.00 -1.04 0.00 0.00 56.93 55.94 1sn0 s PHE 95 Cb -0.16 0.30 -0.02 0.00 -1.21 0.00 0.00 43.02 41.93 1sn0 s PHE 95 CO -0.00 -0.62 0.82 -0.51 -1.34 0.00 0.00 175.22 173.57 1sn0 s ASP 96 N -1.99 6.98 -0.12 1.98 1.01 -1.26 -0.41 116.67 122.86 1sn0 s ASP 96 Ca -0.05 1.20 -0.04 0.00 0.71 0.00 0.00 52.55 54.36 1sn0 s ASP 96 Cb -0.01 -2.45 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 1sn0 s ASP 96 CO -0.02 -0.35 0.03 0.00 0.21 0.00 0.00 175.17 175.04 1sn0 s ALA 97 N 1.89 3.37 -0.53 5.23 0.00 0.12 -4.97 121.76 126.87 1sn0 s ALA 97 Ca 0.39 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.63 1sn0 s ALA 97 Cb -0.17 -1.68 0.19 0.00 0.00 0.00 0.00 23.12 21.46 1sn0 s ALA 97 CO 0.14 0.44 0.46 0.72 0.00 0.00 0.00 175.76 177.51 1sn0 n HIS 98 N 2.66 1.00 0.59 0.00 8.25 -1.26 -1.89 115.22 124.58 1sn0 n HIS 98 Ca -0.18 -3.76 -0.03 0.00 -0.26 0.00 0.00 57.72 53.49 1sn0 n HIS 98 Cb 0.53 -0.19 0.05 0.00 1.12 0.00 0.00 29.99 31.50 1sn0 n HIS 98 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1sn0 n PRO 99 N 2.16 1.43 -2.56 -0.41 -0.05 -1.26 -4.85 135.00 129.46 1sn0 n PRO 99 Ca 0.25 -0.59 -0.42 0.00 -0.05 0.00 0.00 63.50 62.69 1sn0 n PRO 99 Cb 0.44 -1.38 -0.03 0.00 -0.05 0.00 0.00 33.50 32.48 1sn0 n PRO 99 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 175.50 174.24 1sn0 s GLU 100 N -0.89 4.38 0.00 0.54 8.01 -1.26 -4.46 118.70 125.02 1sn0 s GLU 100 Ca 0.11 1.55 0.00 0.00 0.01 0.00 0.00 54.97 56.64 1sn0 s GLU 100 Cb 0.09 -3.55 0.00 0.00 -4.31 0.00 0.00 34.13 26.36 1sn0 s GLU 100 CO 0.02 -0.39 0.00 0.41 0.01 0.00 0.00 175.26 175.32 1sn0 n GLY 101 N 3.24 1.01 0.07 -1.39 0.00 -1.26 -4.22 105.19 102.65 1sn0 n GLY 101 Ca 0.10 -1.44 0.11 0.00 0.00 0.00 0.00 46.02 44.78 1sn0 n GLY 101 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1sn0 n HIS 102 N 0.00 0.00 -1.36 1.61 8.25 -1.26 -5.00 115.22 117.46 1sn0 n HIS 102 Ca 0.00 0.00 -0.62 0.00 -0.26 0.00 0.00 57.72 56.84 1sn0 n HIS 102 Cb 0.00 -0.04 -0.12 0.00 1.12 0.00 0.00 29.99 30.95 1sn0 n HIS 102 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1sn0 n ARG 103 N -1.28 0.00 -4.21 -0.41 0.63 -1.25 -4.94 116.66 105.21 1sn0 n ARG 103 Ca 0.05 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.67 1sn0 n ARG 103 Cb 0.35 -1.50 -0.09 0.00 0.45 0.00 0.00 32.46 31.67 1sn0 n ARG 103 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1sn0 s HIS 104 N 5.37 2.97 -0.13 -0.14 3.76 -1.25 -4.72 115.29 121.15 1sn0 s HIS 104 Ca 1.17 -0.02 0.02 0.00 -0.15 0.00 0.00 55.06 56.08 1sn0 s HIS 104 Cb -1.50 -1.56 -0.00 0.00 1.11 0.00 0.00 32.58 30.63 1sn0 s HIS 104 CO 0.69 0.46 -0.19 0.71 -0.85 0.00 0.00 174.74 175.56 1sn0 s TYR 105 N -1.22 2.69 -0.18 1.40 1.51 0.47 -1.58 117.35 120.45 1sn0 s TYR 105 Ca 0.23 -1.01 -0.01 0.00 -1.01 0.00 0.00 57.07 55.27 1sn0 s TYR 105 Cb -0.12 -1.81 -0.00 0.00 -0.11 0.00 0.00 41.96 39.93 1sn0 s TYR 105 CO 0.15 -0.42 -0.12 0.99 -1.11 0.00 0.00 175.55 175.04 1sn0 s THR 106 N 0.55 2.90 -0.48 -0.71 2.01 0.24 0.53 115.64 120.67 1sn0 s THR 106 Ca -0.11 -0.68 -0.18 0.00 0.31 0.00 0.00 61.69 61.03 1sn0 s THR 106 Cb -0.16 -2.26 0.06 0.00 0.01 0.00 0.00 72.50 70.14 1sn0 s THR 106 CO 0.04 0.49 0.52 -0.76 -0.69 0.00 0.00 174.62 174.22 1sn0 s LEU 107 N 1.04 5.17 -0.07 4.42 1.43 0.69 -0.79 118.68 130.56 1sn0 s LEU 107 Ca -0.01 -1.01 -0.18 0.00 -1.03 0.00 0.00 54.13 51.90 1sn0 s LEU 107 Cb -0.15 -2.35 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 1sn0 s LEU 107 CO -0.02 -0.77 0.47 0.00 0.23 0.00 0.00 176.35 176.26 1sn0 s ALA 108 N 2.24 3.53 -0.09 4.21 0.00 0.38 -1.55 121.76 130.47 1sn0 s ALA 108 Ca 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 1sn0 s ALA 108 Cb -0.21 -2.60 0.03 0.00 0.00 0.00 0.00 23.12 20.35 1sn0 s ALA 108 CO 0.10 0.14 -0.03 -1.17 0.00 0.00 0.00 175.76 174.80 1sn0 s LEU 109 N 0.10 0.89 -0.28 0.00 2.96 0.23 -1.05 118.68 121.53 1sn0 s LEU 109 Ca 0.26 -0.21 -0.08 0.00 -0.22 0.00 0.00 54.13 53.88 1sn0 s LEU 109 Cb -0.16 -0.63 -0.01 0.00 0.50 0.00 0.00 46.19 45.89 1sn0 s LEU 109 CO 0.12 -0.16 0.09 -0.22 -1.32 0.00 0.00 176.35 174.86 1sn0 s LEU 110 N 1.84 3.74 -0.15 -0.68 2.96 -0.23 -0.43 118.68 125.74 1sn0 s LEU 110 Ca 0.05 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.45 1sn0 s LEU 110 Cb -0.13 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 1sn0 s LEU 110 CO -0.07 -0.13 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.03 1sn0 s LEU 111 N 1.57 3.28 0.18 -0.68 1.43 0.33 -1.67 118.68 123.11 1sn0 s LEU 111 Ca 0.05 -0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.11 1sn0 s LEU 111 Cb -0.16 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1sn0 s LEU 111 CO 0.04 0.20 -0.13 -0.44 0.23 0.00 0.00 176.35 176.24 1sn0 s SER 112 N 0.20 2.24 0.37 2.29 0.01 0.68 -0.58 113.70 118.91 1sn0 s SER 112 Ca -0.02 -0.99 0.11 0.00 1.31 0.00 0.00 55.95 56.36 1sn0 s SER 112 Cb -0.14 -0.09 0.88 0.00 0.21 0.00 0.00 66.02 66.89 1sn0 s SER 112 CO 0.03 -0.22 1.87 -0.65 0.41 0.00 0.00 173.24 174.68 1sn0 h PRO 113 N 2.74 0.60 -0.13 12.44 0.11 -1.99 -2.80 132.00 142.97 1sn0 h PRO 113 Ca -0.38 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 1sn0 h PRO 113 Cb 1.21 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1sn0 h PRO 113 CO 0.61 0.40 -0.01 1.19 -0.21 0.00 0.00 178.00 179.98 1sn0 n PHE 114 N -4.55 0.47 -3.60 0.65 3.01 -1.26 -0.51 117.46 111.67 1sn0 n PHE 114 Ca 0.17 -0.97 -0.12 0.00 1.01 0.00 0.00 57.45 57.54 1sn0 n PHE 114 Cb 0.51 -0.24 -0.06 0.00 -0.01 0.00 0.00 39.48 39.68 1sn0 n PHE 114 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1sn0 s SER 115 N -2.44 -0.52 0.04 4.37 0.15 -1.06 -4.95 113.70 109.30 1sn0 s SER 115 Ca 0.37 0.83 -0.03 0.00 0.70 0.00 0.00 55.95 57.82 1sn0 s SER 115 Cb 0.31 0.79 -0.02 0.00 -1.71 0.00 0.00 66.02 65.39 1sn0 s SER 115 CO 0.05 -0.29 0.03 -0.72 1.20 0.00 0.00 173.24 173.52 1sn0 s TYR 116 N -0.31 0.33 -0.13 3.44 -0.85 -1.26 -0.23 117.35 118.35 1sn0 s TYR 116 Ca -0.01 -0.74 0.02 0.00 -0.52 0.00 0.00 57.07 55.82 1sn0 s TYR 116 Cb -0.03 -0.24 0.01 0.00 0.38 0.00 0.00 41.96 42.08 1sn0 s TYR 116 CO -0.00 -0.36 -0.17 0.99 -1.52 0.00 0.00 175.55 174.48 1sn0 s THR 117 N -3.06 1.71 -0.24 -3.49 2.01 -0.67 -4.97 115.64 106.92 1sn0 s THR 117 Ca -0.01 -0.76 -0.05 0.00 0.31 0.00 0.00 61.69 61.18 1sn0 s THR 117 Cb 0.02 -1.55 -0.01 0.00 0.01 0.00 0.00 72.50 70.97 1sn0 s THR 117 CO -0.07 0.48 0.01 0.28 -0.69 0.00 0.00 174.62 174.63 1sn0 s THR 118 N 1.00 3.70 0.18 -0.82 -1.32 -1.26 -1.07 115.64 116.05 1sn0 s THR 118 Ca -0.05 -0.47 0.09 0.00 -1.21 0.00 0.00 61.69 60.05 1sn0 s THR 118 Cb -0.15 -2.75 -0.04 0.00 -1.51 0.00 0.00 72.50 68.05 1sn0 s THR 118 CO -0.03 0.33 -0.18 -0.89 -2.21 0.00 0.00 174.62 171.64 1sn0 s THR 119 N 1.51 1.85 -0.04 5.08 2.01 -0.22 -5.00 115.64 120.84 1sn0 s THR 119 Ca 0.05 -2.02 0.04 0.00 0.31 0.00 0.00 61.69 60.08 1sn0 s THR 119 Cb -0.15 -1.92 -0.00 0.00 0.01 0.00 0.00 72.50 70.43 1sn0 s THR 119 CO -0.01 -0.38 -0.17 0.00 -0.69 0.00 0.00 174.62 173.37 1sn0 s ALA 120 N -2.27 1.52 -0.23 7.40 0.00 -1.26 -0.47 121.76 126.45 1sn0 s ALA 120 Ca 0.18 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 1sn0 s ALA 120 Cb -0.05 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.61 1sn0 s ALA 120 CO 0.07 0.29 -0.09 0.08 0.00 0.00 0.00 175.76 176.11 1sn0 s VAL 121 N -0.04 2.75 -0.23 0.00 1.01 0.03 -4.98 120.40 118.93 1sn0 s VAL 121 Ca -0.02 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1sn0 s VAL 121 Cb -0.11 -2.32 0.04 0.00 0.00 0.00 0.00 36.38 33.98 1sn0 s VAL 121 CO 0.02 0.31 -0.11 -0.69 0.00 0.00 0.00 175.10 174.63 1sn0 s VAL 122 N 1.34 2.44 0.44 2.92 1.01 -1.26 -0.60 120.40 126.69 1sn0 s VAL 122 Ca 0.02 -1.19 -0.22 0.00 0.00 0.00 0.00 61.98 60.59 1sn0 s VAL 122 Cb -0.15 -2.25 -0.09 0.00 0.00 0.00 0.00 36.38 33.89 1sn0 s VAL 122 CO -0.06 0.22 1.02 -0.94 0.00 0.00 0.00 175.10 175.33 1sn0 s SER 123 N 1.25 6.66 0.08 3.32 1.04 -0.61 -4.96 113.70 120.47 1sn0 s SER 123 Ca -0.01 1.91 0.00 0.00 0.48 0.00 0.00 55.95 58.33 1sn0 s SER 123 Cb -0.17 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1sn0 s SER 123 CO -0.07 -0.56 0.00 -1.54 0.98 0.00 0.00 173.24 172.05 1sn0 n SER 124 N -0.52 0.00 0.00 7.02 3.41 -1.26 -3.88 113.62 118.39 1sn0 n SER 124 Ca 0.07 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1sn0 n SER 124 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1sn0 n SER 124 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21