#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sn0 h PRO 11 N 0.00 0.00 -3.07 0.00 0.13 -1.89 -3.43 132.00 123.74 1sn0 h PRO 11 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.70 1sn0 h PRO 11 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.73 1sn0 h PRO 11 CO 0.00 0.00 -0.74 -1.17 -0.23 0.00 0.00 178.00 175.86 1sn0 s LEU 12 N -5.48 0.27 0.24 1.56 2.96 -1.26 -0.76 118.68 116.22 1sn0 s LEU 12 Ca 0.05 -0.44 0.11 0.00 -0.22 0.00 0.00 54.13 53.63 1sn0 s LEU 12 Cb 0.09 -0.18 -0.05 0.00 0.50 0.00 0.00 46.19 46.55 1sn0 s LEU 12 CO 0.56 -0.33 -0.20 -0.04 -1.32 0.00 0.00 176.35 175.02 1sn0 s MET 13 N 2.16 1.56 0.13 1.98 -1.94 0.11 -4.62 119.30 118.69 1sn0 s MET 13 Ca 0.03 -1.67 0.07 0.00 -1.71 0.00 0.00 55.69 52.41 1sn0 s MET 13 Cb -0.15 -1.65 -0.04 0.00 2.01 0.00 0.00 34.83 35.00 1sn0 s MET 13 CO -0.08 0.32 -0.16 0.14 -0.01 0.00 0.00 175.02 175.22 1sn0 s VAL 14 N -2.38 1.51 -0.23 -6.03 -7.23 -1.26 -0.35 120.40 104.43 1sn0 s VAL 14 Ca 0.26 -1.72 -0.04 0.00 -1.81 0.00 0.00 61.98 58.67 1sn0 s VAL 14 Cb -0.05 -1.59 0.09 0.00 0.56 0.00 0.00 36.38 35.39 1sn0 s VAL 14 CO 0.12 -0.32 0.18 -0.75 -0.31 0.00 0.00 175.10 174.01 1sn0 s LYS 15 N -2.54 0.18 -0.16 4.82 2.47 -0.61 -4.22 119.74 119.68 1sn0 s LYS 15 Ca 0.10 -0.11 -0.03 0.00 -1.56 0.00 0.00 55.97 54.36 1sn0 s LYS 15 Cb -0.06 -1.27 -0.03 0.00 -1.46 0.00 0.00 37.83 35.01 1sn0 s LYS 15 CO 0.04 -0.81 -0.04 0.42 0.16 0.00 0.00 175.35 175.12 1sn0 s ILE 16 N 2.23 3.83 0.05 5.43 1.01 -0.07 -1.05 121.20 132.63 1sn0 s ILE 16 Ca 0.07 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.42 1sn0 s ILE 16 Cb -0.16 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 1sn0 s ILE 16 CO -0.21 0.49 -0.22 -0.76 0.00 0.00 0.00 174.94 174.24 1sn0 s LEU 17 N 0.39 2.40 -0.36 2.97 1.43 -0.01 -0.62 118.68 124.88 1sn0 s LEU 17 Ca -0.04 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.41 1sn0 s LEU 17 Cb -0.14 -1.40 -0.00 0.00 0.03 0.00 0.00 46.19 44.67 1sn0 s LEU 17 CO 0.03 0.25 0.25 -0.62 0.23 0.00 0.00 176.35 176.49 1sn0 s ASP 18 N -1.39 6.00 0.00 2.29 -1.08 0.12 -0.38 116.67 122.23 1sn0 s ASP 18 Ca 0.13 -0.59 0.30 0.00 -0.52 0.00 0.00 52.55 51.87 1sn0 s ASP 18 Cb -0.10 -2.12 1.48 0.00 -1.46 0.00 0.00 42.92 40.71 1sn0 s ASP 18 CO 0.04 -0.30 2.03 0.00 0.52 0.00 0.00 175.17 177.46 1sn0 n ALA 19 N 5.10 2.52 -0.04 3.66 0.00 0.59 -1.09 120.51 131.25 1sn0 n ALA 19 Ca -0.12 -0.16 -0.21 0.00 0.00 0.00 0.00 53.44 52.95 1sn0 n ALA 19 Cb 0.49 -1.47 -0.13 0.00 0.00 0.00 0.00 19.45 18.34 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 0.06 0.90 0.00 0.00 2.07 -1.93 -3.39 116.25 113.95 1sn0 h VAL 20 Ca 0.00 -2.30 -0.03 0.00 0.82 0.00 0.00 66.70 65.19 1sn0 h VAL 20 Cb 0.30 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1sn0 h VAL 20 CO 0.00 0.60 -1.26 0.29 0.02 0.00 0.00 177.57 177.23 1sn0 n LYS 21 N -4.02 0.62 -2.42 1.57 5.02 -1.21 -4.98 118.16 112.73 1sn0 n LYS 21 Ca -0.29 0.08 -0.08 0.00 -2.02 0.00 0.00 58.31 56.01 1sn0 n LYS 21 Cb 0.84 -1.77 0.01 0.00 -0.02 0.00 0.00 35.03 34.09 1sn0 n LYS 21 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sn0 n GLY 22 N 1.24 0.21 3.32 0.72 0.00 -0.25 -5.05 105.19 105.39 1sn0 n GLY 22 Ca -0.03 -0.50 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.64 0.67 0.75 2.61 -4.23 -1.19 -5.00 115.64 106.60 1sn0 s THR 23 Ca 0.08 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.45 1sn0 s THR 23 Cb -0.03 -2.56 0.05 0.00 1.34 0.00 0.00 72.50 71.29 1sn0 s THR 23 CO 0.09 -0.09 1.14 -2.84 -0.54 0.00 0.00 174.62 172.39 1sn0 s PRO 24 N -3.99 2.20 -0.54 3.99 0.02 -1.26 0.13 135.00 135.54 1sn0 s PRO 24 Ca 0.35 1.48 -0.22 0.00 0.02 0.00 0.00 61.00 62.63 1sn0 s PRO 24 Cb 0.08 -1.87 0.05 0.00 0.02 0.00 0.00 34.50 32.78 1sn0 s PRO 24 CO 0.12 -1.73 0.81 0.00 -0.33 0.00 0.00 177.00 175.87 1sn0 s ALA 25 N -2.41 3.26 0.39 -1.55 0.00 0.21 -4.51 121.76 117.14 1sn0 s ALA 25 Ca 0.68 -1.53 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 1sn0 s ALA 25 Cb -0.23 -3.58 -0.07 0.00 0.00 0.00 0.00 23.12 19.24 1sn0 s ALA 25 CO 0.48 -2.27 0.75 0.20 0.00 0.00 0.00 175.76 174.93 1sn0 s GLY 26 N 2.88 1.99 -1.55 0.00 0.00 -1.26 -4.18 107.32 105.19 1sn0 s GLY 26 Ca 0.23 -0.19 -0.04 0.00 0.00 0.00 0.00 44.72 44.72 1sn0 s GLY 26 CO 0.15 -0.00 0.50 1.44 0.00 0.00 0.00 173.10 175.19 1sn0 n SER 27 N -1.17 -5.99 -4.66 1.64 7.64 0.01 -4.94 113.62 106.16 1sn0 n SER 27 Ca 0.02 -0.24 -0.40 0.00 1.01 0.00 0.00 58.87 59.26 1sn0 n SER 27 Cb 0.54 -4.83 -0.05 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 -3.14 4.98 0.21 0.44 1.01 -1.26 -4.77 120.40 117.86 1sn0 s VAL 28 Ca 0.25 1.29 -0.26 0.00 0.00 0.00 0.00 61.98 63.25 1sn0 s VAL 28 Cb -0.11 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.19 1sn0 s VAL 28 CO 0.31 0.08 0.84 0.00 0.00 0.00 0.00 175.10 176.32 1sn0 s ALA 29 N 2.07 3.39 0.12 5.51 0.00 -1.26 -1.05 121.76 130.54 1sn0 s ALA 29 Ca 0.31 0.44 -0.06 0.00 0.00 0.00 0.00 51.96 52.65 1sn0 s ALA 29 Cb -0.16 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 1sn0 s ALA 29 CO 0.10 0.26 0.16 -0.48 0.00 0.00 0.00 175.76 175.80 1sn0 s LEU 30 N -1.29 1.49 0.03 0.00 0.05 0.51 -0.52 118.68 118.95 1sn0 s LEU 30 Ca 0.39 -0.91 0.02 0.00 0.05 0.00 0.00 54.13 53.67 1sn0 s LEU 30 Cb -0.23 0.80 -0.02 0.00 -2.05 0.00 0.00 46.19 44.69 1sn0 s LEU 30 CO 0.28 -0.77 -0.06 -1.59 -0.55 0.00 0.00 176.35 173.66 1sn0 s LYS 31 N -3.95 0.43 -0.11 1.48 -2.85 -0.23 -1.19 119.74 113.32 1sn0 s LYS 31 Ca 0.14 -0.57 0.03 0.00 -1.00 0.00 0.00 55.97 54.57 1sn0 s LYS 31 Cb 0.05 -0.22 0.00 0.00 -2.06 0.00 0.00 37.83 35.60 1sn0 s LYS 31 CO -0.04 0.04 -0.22 0.08 0.10 0.00 0.00 175.35 175.31 1sn0 s VAL 32 N -1.06 2.15 0.11 1.79 1.01 -0.25 -0.86 120.40 123.29 1sn0 s VAL 32 Ca -0.08 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.00 1sn0 s VAL 32 Cb -0.08 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1sn0 s VAL 32 CO 0.00 0.55 -0.19 -0.44 0.00 0.00 0.00 175.10 175.03 1sn0 s SER 33 N 0.49 2.39 -0.06 3.32 0.01 -0.01 -0.85 113.70 118.98 1sn0 s SER 33 Ca -0.15 -0.73 0.04 0.00 1.31 0.00 0.00 55.95 56.42 1sn0 s SER 33 Cb -0.17 -0.12 -0.02 0.00 0.21 0.00 0.00 66.02 65.92 1sn0 s SER 33 CO 0.05 -0.00 -0.16 -1.58 0.41 0.00 0.00 173.24 171.96 1sn0 s GLN 34 N -2.15 2.64 0.20 12.44 0.74 0.50 -0.81 119.66 133.21 1sn0 s GLN 34 Ca 0.07 -0.74 -0.30 0.00 0.05 0.00 0.00 55.36 54.45 1sn0 s GLN 34 Cb -0.09 -2.37 -0.09 0.00 1.10 0.00 0.00 33.01 31.56 1sn0 s GLN 34 CO 0.04 0.52 1.31 0.21 -0.55 0.00 0.00 175.29 176.82 1sn0 s LYS 35 N -0.46 4.39 0.55 1.67 2.20 0.55 -0.54 119.74 128.09 1sn0 s LYS 35 Ca 0.05 2.06 0.03 0.00 -0.36 0.00 0.00 55.97 57.75 1sn0 s LYS 35 Cb -0.12 -3.19 0.04 0.00 -1.51 0.00 0.00 37.83 33.05 1sn0 s LYS 35 CO 0.02 -0.25 0.76 0.95 -0.36 0.00 0.00 175.35 176.46 1sn0 s THR 36 N 0.11 2.64 0.48 3.43 -4.23 0.84 -4.74 115.64 114.17 1sn0 s THR 36 Ca 0.57 -0.74 0.17 0.00 -1.18 0.00 0.00 61.69 60.50 1sn0 s THR 36 Cb -0.36 -2.90 0.33 0.00 1.34 0.00 0.00 72.50 70.91 1sn0 s THR 36 CO 0.38 0.00 2.03 0.00 -0.54 0.00 0.00 174.62 176.49 1sn0 h ALA 37 N 0.12 2.13 -0.06 3.99 0.00 -1.96 -1.22 119.26 122.26 1sn0 h ALA 37 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1sn0 h ALA 37 Cb 1.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1sn0 h ALA 37 CO 0.49 -0.23 0.00 -0.40 0.00 0.00 0.00 179.25 179.11 1sn0 n ASP 38 N -4.46 1.15 0.00 0.00 5.68 -1.26 -4.90 116.55 112.76 1sn0 n ASP 38 Ca 0.07 -1.49 0.00 0.00 -0.50 0.00 0.00 54.79 52.87 1sn0 n ASP 38 Cb 0.36 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 1sn0 n ASP 38 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sn0 n GLY 39 N 1.09 0.49 1.64 6.12 0.00 -0.46 -5.07 105.19 108.99 1sn0 n GLY 39 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.00 -0.47 3.16 -0.02 0.00 -1.26 -4.75 105.19 99.86 1sn0 n GLY 40 Ca 0.00 -1.81 -0.27 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.80 1.80 -0.14 1.61 0.52 -1.26 -0.12 118.94 119.55 1sn0 s TRP 41 Ca 0.30 -0.48 0.02 0.00 0.02 0.00 0.00 56.10 55.97 1sn0 s TRP 41 Cb -0.01 -1.19 0.01 0.00 -1.15 0.00 0.00 33.47 31.13 1sn0 s TRP 41 CO 0.21 -0.14 -0.19 -0.08 0.02 0.00 0.00 176.95 176.77 1sn0 s THR 42 N -0.11 1.89 0.01 2.01 -1.32 0.29 -4.93 115.64 113.49 1sn0 s THR 42 Ca -0.01 -0.87 -0.30 0.00 -1.21 0.00 0.00 61.69 59.30 1sn0 s THR 42 Cb -0.11 -1.70 -0.05 0.00 -1.51 0.00 0.00 72.50 69.13 1sn0 s THR 42 CO 0.02 0.52 1.27 -1.58 -2.21 0.00 0.00 174.62 172.63 1sn0 s GLN 43 N 1.02 4.36 -0.00 7.08 0.74 -1.26 -0.37 119.66 131.22 1sn0 s GLN 43 Ca -0.03 1.81 0.04 0.00 0.05 0.00 0.00 55.36 57.23 1sn0 s GLN 43 Cb -0.15 -3.47 -0.06 0.00 1.10 0.00 0.00 33.01 30.43 1sn0 s GLN 43 CO -0.05 -0.42 0.12 0.44 -0.55 0.00 0.00 175.29 174.83 1sn0 n ILE 44 N 4.37 0.00 -3.51 -2.34 -5.35 -0.03 -4.95 119.36 107.55 1sn0 n ILE 44 Ca 0.11 -0.21 -0.16 0.00 -0.27 0.00 0.00 62.75 62.22 1sn0 n ILE 44 Cb 0.45 0.63 -0.05 0.00 -1.74 0.00 0.00 39.64 38.93 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 -1.95 -1.64 0.16 -1.28 0.00 -1.12 -5.01 121.76 110.92 1sn0 s ALA 45 Ca -0.00 0.98 0.02 0.00 0.00 0.00 0.00 51.96 52.95 1sn0 s ALA 45 Cb 0.03 0.29 -0.05 0.00 0.00 0.00 0.00 23.12 23.39 1sn0 s ALA 45 CO 0.17 -0.49 -0.02 0.95 0.00 0.00 0.00 175.76 176.37 1sn0 s THR 46 N -2.05 0.78 -0.04 0.00 -4.23 -1.26 -1.09 115.64 107.75 1sn0 s THR 46 Ca -0.07 -1.99 -0.30 0.00 -1.18 0.00 0.00 61.69 58.15 1sn0 s THR 46 Cb -0.00 -2.04 0.10 0.00 1.34 0.00 0.00 72.50 71.90 1sn0 s THR 46 CO 0.02 -0.56 1.32 -0.83 -0.54 0.00 0.00 174.62 174.03 1sn0 s GLY 47 N -3.17 -0.21 -0.06 3.99 0.00 -0.33 -4.98 107.32 102.56 1sn0 s GLY 47 Ca 0.22 0.22 -0.02 0.00 0.00 0.00 0.00 44.72 45.13 1sn0 s GLY 47 CO 0.03 4.78 0.12 0.14 0.00 0.00 0.00 173.10 178.17 1sn0 s VAL 48 N -2.07 -0.05 0.50 1.40 1.01 -1.26 -0.36 120.40 119.57 1sn0 s VAL 48 Ca 0.27 0.17 -0.23 0.00 0.00 0.00 0.00 61.98 62.19 1sn0 s VAL 48 Cb 0.01 -0.21 -0.06 0.00 0.00 0.00 0.00 36.38 36.12 1sn0 s VAL 48 CO -0.02 0.07 1.29 0.42 0.00 0.00 0.00 175.10 176.86 1sn0 s THR 49 N 1.03 2.48 0.47 3.92 -4.23 -0.21 -4.82 115.64 114.28 1sn0 s THR 49 Ca -0.08 0.37 -0.07 0.00 -1.18 0.00 0.00 61.69 60.73 1sn0 s THR 49 Cb -0.11 -3.19 0.11 0.00 1.34 0.00 0.00 72.50 70.65 1sn0 s THR 49 CO -0.05 0.01 0.64 -0.90 -0.54 0.00 0.00 174.62 173.78 1sn0 n ASP 50 N -0.66 0.18 0.22 3.99 5.68 0.02 -0.81 116.55 125.16 1sn0 n ASP 50 Ca 0.08 -1.31 0.15 0.00 -0.50 0.00 0.00 54.79 53.21 1sn0 n ASP 50 Cb 0.46 -0.48 0.75 0.00 -1.14 0.00 0.00 41.12 40.70 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 -1.63 1.00 -0.07 2.12 0.00 -1.91 -0.91 119.26 117.86 1sn0 h ALA 51 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1sn0 h ALA 51 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1sn0 h ALA 51 CO 0.16 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.66 1sn0 n THR 52 N -2.57 0.08 -1.72 0.00 -2.24 -1.26 -4.60 114.28 101.97 1sn0 n THR 52 Ca -0.01 -0.32 -0.03 0.00 -2.27 0.00 0.00 64.05 61.43 1sn0 n THR 52 Cb 0.11 0.57 -0.00 0.00 -2.10 0.00 0.00 70.33 68.91 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 1.19 0.37 3.42 3.38 0.00 -0.35 -4.71 105.19 108.50 1sn0 n GLY 53 Ca 0.18 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.49 1.55 -0.15 1.61 2.02 -1.26 -0.90 118.70 118.08 1sn0 s GLU 54 Ca 0.00 -1.79 -0.01 0.00 0.02 0.00 0.00 54.97 53.19 1sn0 s GLU 54 Cb 0.00 -1.10 0.04 0.00 0.10 0.00 0.00 34.13 33.17 1sn0 s GLU 54 CO 0.00 0.01 -0.02 0.42 0.02 0.00 0.00 175.26 175.69 1sn0 s ILE 55 N -3.06 0.82 0.19 -1.63 1.01 -1.26 -0.80 121.20 116.48 1sn0 s ILE 55 Ca 0.30 -0.44 -0.17 0.00 0.00 0.00 0.00 60.65 60.34 1sn0 s ILE 55 Cb 0.04 -1.06 -0.08 0.00 0.01 0.00 0.00 42.46 41.38 1sn0 s ILE 55 CO 0.12 0.10 0.65 -1.00 0.00 0.00 0.00 174.94 174.81 1sn0 s HIS 56 N 1.76 3.62 -1.38 3.97 3.76 -1.26 -4.32 115.29 121.44 1sn0 s HIS 56 Ca 0.01 1.24 -0.04 0.00 -0.15 0.00 0.00 55.06 56.13 1sn0 s HIS 56 Cb -0.15 -2.51 0.02 0.00 1.11 0.00 0.00 32.58 31.06 1sn0 s HIS 56 CO -0.07 0.37 0.76 0.09 -0.85 0.00 0.00 174.74 175.03 1sn0 n ASN 57 N 0.71 -2.15 0.03 1.40 3.02 -1.26 -4.91 115.26 112.11 1sn0 n ASN 57 Ca -0.03 -0.82 -0.13 0.00 -0.03 0.00 0.00 54.58 53.57 1sn0 n ASN 57 Cb 0.51 -3.94 -0.08 0.00 -0.61 0.00 0.00 39.78 35.66 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 -1.93 -0.04 -8.31 3.41 5.85 -1.82 -3.46 115.31 109.01 1sn0 h LEU 58 Ca -0.60 -0.23 -0.16 0.00 0.84 0.00 0.00 57.88 57.73 1sn0 h LEU 58 Cb 1.36 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 42.27 1sn0 h LEU 58 CO 0.60 0.21 -0.51 0.27 -0.34 0.00 0.00 178.44 178.67 1sn0 s ILE 59 N -5.22 0.08 0.43 4.05 -4.36 -1.26 -4.84 121.20 110.08 1sn0 s ILE 59 Ca -0.14 -1.71 0.08 0.00 -0.26 0.00 0.00 60.65 58.61 1sn0 s ILE 59 Cb 0.04 -2.02 0.01 0.00 1.25 0.00 0.00 42.46 41.74 1sn0 s ILE 59 CO 0.66 -0.35 0.56 0.42 0.24 0.00 0.00 174.94 176.47 1sn0 s THR 60 N -4.03 2.88 0.22 8.37 -4.23 -1.26 -4.51 115.64 113.07 1sn0 s THR 60 Ca 0.23 -1.05 -0.09 0.00 -1.18 0.00 0.00 61.69 59.60 1sn0 s THR 60 Cb 0.06 -2.93 0.16 0.00 1.34 0.00 0.00 72.50 71.13 1sn0 s THR 60 CO 0.02 0.00 1.85 -0.33 -0.54 0.00 0.00 174.62 175.62 1sn0 h GLU 61 N 0.66 0.85 -0.63 3.99 5.08 -1.99 -2.60 114.58 119.94 1sn0 h GLU 61 Ca -0.39 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1sn0 h GLU 61 Cb 1.28 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 1sn0 h GLU 61 CO 0.47 0.56 0.41 1.96 -1.00 0.00 0.00 179.01 181.41 1sn0 h GLN 62 N 0.88 0.83 0.00 2.33 1.08 -2.03 -1.58 115.11 116.61 1sn0 h GLN 62 Ca 0.31 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1sn0 h GLN 62 Cb 0.07 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 1sn0 h GLN 62 CO -0.13 0.56 0.00 1.04 -0.95 0.00 0.00 178.83 179.35 1sn0 n GLN 63 N -4.43 0.93 -3.00 1.46 6.02 -0.99 -4.30 117.38 113.07 1sn0 n GLN 63 Ca 0.06 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.81 1sn0 n GLN 63 Cb 0.05 -1.45 -0.04 0.00 1.02 0.00 0.00 30.24 29.82 1sn0 n GLN 63 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1sn0 n PHE 64 N -0.95 3.04 -1.72 1.08 7.35 -0.60 -4.93 117.46 120.73 1sn0 n PHE 64 Ca 0.20 -3.95 -0.29 0.00 -0.76 0.00 0.00 57.45 52.65 1sn0 n PHE 64 Cb 0.09 -0.47 0.09 0.00 0.35 0.00 0.00 39.48 39.55 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 -3.20 1.95 0.31 -7.13 0.04 -1.26 -4.76 135.00 120.94 1sn0 s PRO 65 Ca 0.47 0.34 -0.28 0.00 0.04 0.00 0.00 61.00 61.57 1sn0 s PRO 65 Cb 0.30 -1.93 -0.13 0.00 0.04 0.00 0.00 34.50 32.78 1sn0 s PRO 65 CO -0.12 -1.65 1.16 0.00 0.04 0.00 0.00 177.00 176.43 1sn0 n ALA 66 N -3.40 0.53 0.00 8.56 0.00 -1.26 -4.90 120.51 120.04 1sn0 n ALA 66 Ca 0.07 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1sn0 n ALA 66 Cb 0.59 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 1.07 -1.94 3.72 0.00 0.00 -1.17 -4.99 105.19 101.89 1sn0 n GLY 67 Ca 0.07 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.46 5.35 0.20 1.61 1.01 -1.26 0.04 120.40 124.89 1sn0 s VAL 68 Ca 0.00 0.35 0.11 0.00 0.00 0.00 0.00 61.98 62.44 1sn0 s VAL 68 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1sn0 s VAL 68 CO 0.00 0.40 -0.22 -0.31 0.00 0.00 0.00 175.10 174.97 1sn0 s TYR 69 N 0.54 2.20 -0.09 5.22 1.51 -0.05 -0.33 117.35 126.34 1sn0 s TYR 69 Ca 0.12 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.80 1sn0 s TYR 69 Cb -0.12 -1.07 0.02 0.00 -0.11 0.00 0.00 41.96 40.68 1sn0 s TYR 69 CO 0.01 0.50 -0.07 0.50 -1.11 0.00 0.00 175.55 175.38 1sn0 s ARG 70 N -2.82 1.40 -0.22 -0.62 3.00 0.01 -1.41 118.95 118.29 1sn0 s ARG 70 Ca 0.21 -0.23 -0.05 0.00 -1.00 0.00 0.00 55.73 54.66 1sn0 s ARG 70 Cb -0.07 -1.43 -0.02 0.00 0.00 0.00 0.00 34.95 33.43 1sn0 s ARG 70 CO 0.10 -0.20 0.00 0.08 0.00 0.00 0.00 175.30 175.28 1sn0 s VAL 71 N 1.48 3.80 -0.19 7.11 1.01 0.34 -0.83 120.40 133.13 1sn0 s VAL 71 Ca 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1sn0 s VAL 71 Cb -0.13 -2.74 -0.00 0.00 0.00 0.00 0.00 36.38 33.50 1sn0 s VAL 71 CO -0.05 0.40 -0.11 -0.70 0.00 0.00 0.00 175.10 174.64 1sn0 s GLU 72 N 1.37 3.26 -0.15 2.72 2.12 -0.04 -1.00 118.70 126.98 1sn0 s GLU 72 Ca 0.05 -0.70 -0.05 0.00 0.36 0.00 0.00 54.97 54.63 1sn0 s GLU 72 Cb -0.15 -2.80 -0.03 0.00 0.26 0.00 0.00 34.13 31.41 1sn0 s GLU 72 CO 0.00 -0.13 0.01 -0.06 -0.54 0.00 0.00 175.26 174.55 1sn0 s PHE 73 N 1.22 3.16 -1.34 5.30 0.40 -0.21 -1.07 117.98 125.45 1sn0 s PHE 73 Ca 0.02 -0.02 -0.13 0.00 -0.60 0.00 0.00 56.93 56.21 1sn0 s PHE 73 Cb -0.14 -1.97 0.11 0.00 0.51 0.00 0.00 43.02 41.53 1sn0 s PHE 73 CO -0.04 0.18 1.93 -3.47 0.70 0.00 0.00 175.22 174.51 1sn0 n ASP 74 N 3.17 4.66 0.17 1.36 -0.08 0.32 -1.30 116.55 124.85 1sn0 n ASP 74 Ca -0.17 -2.98 0.04 0.00 -1.51 0.00 0.00 54.79 50.17 1sn0 n ASP 74 Cb 0.53 -1.59 0.22 0.00 2.34 0.00 0.00 41.12 42.62 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 4.16 0.91 -0.33 5.18 1.35 -1.86 -2.92 112.91 119.40 1sn0 h THR 75 Ca 0.45 -1.82 -0.03 0.00 -0.55 0.00 0.00 66.41 64.46 1sn0 h THR 75 Cb 0.69 2.12 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 1sn0 h THR 75 CO 1.65 0.43 0.09 0.50 -0.25 0.00 0.00 175.52 177.95 1sn0 h LYS 76 N 0.00 0.53 -0.57 4.72 3.64 -1.74 -1.34 116.57 121.81 1sn0 h LYS 76 Ca -0.00 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.18 1sn0 h LYS 76 Cb 1.09 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 1sn0 h LYS 76 CO 0.06 0.58 0.06 0.00 -2.27 0.00 0.00 179.45 177.88 1sn0 h ALA 77 N 0.93 0.76 -0.22 5.00 0.00 -1.87 -0.33 119.26 123.53 1sn0 h ALA 77 Ca 0.11 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1sn0 h ALA 77 Cb 0.28 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1sn0 h ALA 77 CO -0.00 0.54 -0.16 -0.92 0.00 0.00 0.00 179.25 178.71 1sn0 h TYR 78 N 0.86 -0.41 -0.42 0.00 3.20 -1.31 0.11 116.97 119.01 1sn0 h TYR 78 Ca 0.17 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.94 1sn0 h TYR 78 Cb 0.46 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1sn0 h TYR 78 CO 0.03 -0.23 -0.27 -1.49 -1.64 0.00 0.00 178.16 174.56 1sn0 h TRP 79 N -0.16 1.04 -0.48 -3.82 4.06 -1.06 -1.80 115.95 113.73 1sn0 h TRP 79 Ca 0.13 -0.26 0.03 0.00 2.06 0.00 0.00 58.89 60.84 1sn0 h TRP 79 Cb 0.35 -0.24 -0.04 0.00 -1.00 0.00 0.00 29.16 28.23 1sn0 h TRP 79 CO -0.32 1.06 0.27 1.15 -3.56 0.00 0.00 178.44 177.03 1sn0 h THR 80 N 0.76 1.00 0.00 1.49 2.02 -0.74 -0.65 112.91 116.81 1sn0 h THR 80 Ca 0.09 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 1sn0 h THR 80 Cb 0.83 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1sn0 h THR 80 CO 0.07 0.10 -0.12 -1.13 0.37 0.00 0.00 175.52 174.81 1sn0 h ASN 81 N 0.53 0.00 0.62 4.18 -0.73 -0.50 -1.91 115.58 117.77 1sn0 h ASN 81 Ca 0.20 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.37 1sn0 h ASN 81 Cb 0.07 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.66 1sn0 h ASN 81 CO -0.12 0.12 -0.14 0.00 -0.37 0.00 0.00 177.43 176.92 1sn0 n GLN 82 N -3.51 0.29 -0.82 6.67 1.13 -0.67 -4.91 117.38 115.57 1sn0 n GLN 82 Ca -0.01 -0.08 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 1sn0 n GLN 82 Cb 0.27 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.12 1sn0 n GLN 82 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sn0 n GLY 83 N 1.40 0.50 4.00 1.08 0.00 -0.72 -5.06 105.19 106.38 1sn0 n GLY 83 Ca 0.10 -0.90 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 1sn0 n GLY 83 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sn0 s SER 84 N -2.81 4.96 -0.30 1.61 0.15 -0.34 -5.03 113.70 111.94 1sn0 s SER 84 Ca 0.00 -0.97 0.02 0.00 0.70 0.00 0.00 55.95 55.70 1sn0 s SER 84 Cb 0.00 0.35 0.07 0.00 -1.71 0.00 0.00 66.02 64.74 1sn0 s SER 84 CO 0.00 -1.28 -0.02 -0.89 1.20 0.00 0.00 173.24 172.24 1sn0 s THR 85 N -2.70 2.43 0.36 6.45 2.01 -1.26 -4.32 115.64 118.60 1sn0 s THR 85 Ca 0.54 -1.82 -0.07 0.00 0.31 0.00 0.00 61.69 60.64 1sn0 s THR 85 Cb -0.05 -2.54 -0.06 0.00 0.01 0.00 0.00 72.50 69.87 1sn0 s THR 85 CO 0.34 -0.25 0.66 -2.16 -0.69 0.00 0.00 174.62 172.52 1sn0 s PRO 86 N 1.07 3.69 -0.15 4.92 0.04 -1.26 -4.68 135.00 138.62 1sn0 s PRO 86 Ca -0.02 0.21 -0.12 0.00 0.04 0.00 0.00 61.00 61.11 1sn0 s PRO 86 Cb -0.20 -2.52 -0.08 0.00 0.04 0.00 0.00 34.50 31.74 1sn0 s PRO 86 CO -0.05 0.07 0.01 0.35 0.04 0.00 0.00 177.00 177.42 1sn0 h PHE 87 N 1.36 0.00 -3.91 0.56 3.57 -1.42 -3.48 116.94 113.62 1sn0 h PHE 87 Ca -0.47 0.00 -0.51 0.00 3.53 0.00 0.00 57.97 60.52 1sn0 h PHE 87 Cb 1.19 0.00 0.05 0.00 2.79 0.00 0.00 35.95 39.98 1sn0 h PHE 87 CO 0.59 0.46 0.52 -1.01 -2.23 0.00 0.00 178.31 176.63 1sn0 s HIS 88 N -2.18 3.15 0.23 0.41 3.76 -1.26 -4.94 115.29 114.46 1sn0 s HIS 88 Ca -0.17 1.56 0.04 0.00 -0.15 0.00 0.00 55.06 56.33 1sn0 s HIS 88 Cb 0.02 -3.42 0.23 0.00 1.11 0.00 0.00 32.58 30.52 1sn0 s HIS 88 CO 0.32 -1.27 1.55 0.93 -0.85 0.00 0.00 174.74 175.41 1sn0 h GLU 89 N 2.95 0.27 -2.44 1.40 4.39 -1.98 -3.38 114.58 115.79 1sn0 h GLU 89 Ca -0.48 -0.19 0.02 0.00 0.34 0.00 0.00 59.36 59.05 1sn0 h GLU 89 Cb 1.23 0.03 -0.15 0.00 -0.10 0.00 0.00 28.75 29.75 1sn0 h GLU 89 CO 0.64 0.79 0.33 0.54 -1.16 0.00 0.00 179.01 180.15 1sn0 s VAL 90 N -3.76 0.00 -0.20 3.13 0.11 -1.26 -4.15 120.40 114.27 1sn0 s VAL 90 Ca -0.04 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.94 1sn0 s VAL 90 Cb 0.12 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.93 1sn0 s VAL 90 CO 0.80 0.00 0.04 0.00 -3.33 0.00 0.00 175.10 172.61 1sn0 s ALA 91 N -2.80 3.22 -0.11 1.54 0.00 -0.42 -4.91 121.76 118.28 1sn0 s ALA 91 Ca -0.00 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.10 1sn0 s ALA 91 Cb -0.01 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.24 1sn0 s ALA 91 CO -0.06 -0.03 -0.21 -1.21 0.00 0.00 0.00 175.76 174.25 1sn0 s GLU 92 N 0.77 2.83 -0.26 0.00 2.02 -1.26 -1.04 118.70 121.75 1sn0 s GLU 92 Ca 0.02 -0.79 0.03 0.00 0.02 0.00 0.00 54.97 54.25 1sn0 s GLU 92 Cb -0.14 -2.21 0.06 0.00 0.10 0.00 0.00 34.13 31.94 1sn0 s GLU 92 CO 0.02 0.08 -0.11 0.08 0.02 0.00 0.00 175.26 175.36 1sn0 s VAL 93 N 0.58 2.19 -0.14 2.63 1.01 -0.17 -4.99 120.40 121.52 1sn0 s VAL 93 Ca -0.14 -1.63 0.01 0.00 0.00 0.00 0.00 61.98 60.23 1sn0 s VAL 93 Cb -0.17 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1sn0 s VAL 93 CO 0.04 -0.03 -0.18 -0.69 0.00 0.00 0.00 175.10 174.24 1sn0 s VAL 94 N 1.11 2.45 0.04 2.92 1.01 -1.26 -0.50 120.40 126.16 1sn0 s VAL 94 Ca -0.09 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 1sn0 s VAL 94 Cb -0.20 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.21 1sn0 s VAL 94 CO -0.05 0.53 0.40 0.72 0.00 0.00 0.00 175.10 176.71 1sn0 s PHE 95 N 0.70 -0.26 -0.31 5.22 -0.71 -0.50 -5.01 117.98 117.12 1sn0 s PHE 95 Ca -0.08 0.22 -0.22 0.00 -1.04 0.00 0.00 56.93 55.81 1sn0 s PHE 95 Cb -0.16 0.21 -0.00 0.00 -1.21 0.00 0.00 43.02 41.86 1sn0 s PHE 95 CO 0.01 -0.56 0.72 0.34 -1.34 0.00 0.00 175.22 174.39 1sn0 s ASP 96 N -1.98 6.59 0.04 1.98 -1.08 -1.26 -0.88 116.67 120.08 1sn0 s ASP 96 Ca -0.06 0.55 -0.23 0.00 -0.52 0.00 0.00 52.55 52.30 1sn0 s ASP 96 Cb -0.01 -2.37 -0.06 0.00 -1.46 0.00 0.00 42.92 39.02 1sn0 s ASP 96 CO -0.02 -0.56 0.69 0.00 0.52 0.00 0.00 175.17 175.80 1sn0 s ALA 97 N 2.80 3.44 -0.53 3.66 0.00 0.11 -4.95 121.76 126.30 1sn0 s ALA 97 Ca 0.29 0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.47 1sn0 s ALA 97 Cb -0.14 -2.87 0.15 0.00 0.00 0.00 0.00 23.12 20.25 1sn0 s ALA 97 CO 0.12 0.15 0.32 -1.01 0.00 0.00 0.00 175.76 175.35 1sn0 s HIS 98 N -0.30 2.59 -1.28 0.00 0.09 -1.26 -3.02 115.29 112.11 1sn0 s HIS 98 Ca 0.35 -2.83 0.29 0.00 -0.00 0.00 0.00 55.06 52.86 1sn0 s HIS 98 Cb -0.20 -2.22 1.25 0.00 -0.00 0.00 0.00 32.58 31.41 1sn0 s HIS 98 CO 0.21 -0.71 1.90 -0.35 -0.00 0.00 0.00 174.74 175.78 1sn0 n PRO 99 N 2.94 0.29 -1.69 8.40 -0.05 -1.26 -4.68 135.00 138.95 1sn0 n PRO 99 Ca 0.13 -0.05 -0.39 0.00 -0.05 0.00 0.00 63.50 63.14 1sn0 n PRO 99 Cb 0.36 -1.50 0.04 0.00 -0.05 0.00 0.00 33.50 32.35 1sn0 n PRO 99 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 175.50 174.60 1sn0 n GLU 100 N -1.31 1.44 -2.86 0.54 0.00 -1.26 -2.40 120.64 114.79 1sn0 n GLU 100 Ca 0.11 0.53 -0.08 0.00 0.00 0.00 0.00 57.16 57.72 1sn0 n GLU 100 Cb 0.29 -2.40 0.03 0.00 0.00 0.00 0.00 31.44 29.36 1sn0 n GLU 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sn0 n GLY 101 N 0.95 0.45 4.25 -1.84 0.00 -1.26 -3.48 105.19 104.26 1sn0 n GLY 101 Ca 0.11 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1sn0 n GLY 101 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1sn0 n HIS 102 N -3.31 -1.52 -3.08 1.61 1.44 -1.18 -4.91 115.22 104.27 1sn0 n HIS 102 Ca 0.00 0.73 -0.40 0.00 -2.01 0.00 0.00 57.72 56.04 1sn0 n HIS 102 Cb 0.52 -2.88 -0.05 0.00 0.12 0.00 0.00 29.99 27.69 1sn0 n HIS 102 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1sn0 s ARG 103 N -6.99 4.24 0.13 -1.40 3.52 -1.01 -5.06 118.95 112.38 1sn0 s ARG 103 Ca 0.47 0.70 0.07 0.00 -0.13 0.00 0.00 55.73 56.83 1sn0 s ARG 103 Cb -0.26 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.52 1sn0 s ARG 103 CO 0.95 -0.24 -0.03 -1.01 -0.81 0.00 0.00 175.30 174.17 1sn0 s HIS 104 N 1.88 2.85 -0.10 5.12 3.76 -1.26 -4.56 115.29 122.98 1sn0 s HIS 104 Ca 0.31 -0.11 0.02 0.00 -0.15 0.00 0.00 55.06 55.12 1sn0 s HIS 104 Cb -0.16 -1.43 -0.01 0.00 1.11 0.00 0.00 32.58 32.08 1sn0 s HIS 104 CO 0.11 0.48 -0.16 0.71 -0.85 0.00 0.00 174.74 175.03 1sn0 s TYR 105 N -1.47 2.71 -0.19 1.40 1.51 0.06 -4.31 117.35 117.06 1sn0 s TYR 105 Ca 0.25 -0.62 -0.01 0.00 -1.01 0.00 0.00 57.07 55.69 1sn0 s TYR 105 Cb -0.10 -1.76 0.01 0.00 -0.11 0.00 0.00 41.96 40.00 1sn0 s TYR 105 CO 0.17 -0.17 -0.14 0.99 -1.11 0.00 0.00 175.55 175.29 1sn0 s THR 106 N 0.09 2.61 -0.49 -0.71 2.01 -0.35 0.09 115.64 118.89 1sn0 s THR 106 Ca -0.07 -0.76 -0.19 0.00 0.31 0.00 0.00 61.69 60.98 1sn0 s THR 106 Cb -0.15 -2.13 0.05 0.00 0.01 0.00 0.00 72.50 70.28 1sn0 s THR 106 CO 0.05 0.50 0.60 -0.76 -0.69 0.00 0.00 174.62 174.32 1sn0 s LEU 107 N 1.27 4.95 0.03 4.42 1.02 0.53 -1.04 118.68 129.86 1sn0 s LEU 107 Ca 0.03 -0.87 -0.18 0.00 0.02 0.00 0.00 54.13 53.13 1sn0 s LEU 107 Cb -0.14 -2.45 -0.06 0.00 0.02 0.00 0.00 46.19 43.56 1sn0 s LEU 107 CO -0.07 -0.85 0.52 0.00 0.02 0.00 0.00 176.35 175.97 1sn0 s ALA 108 N 2.56 3.60 -0.06 4.21 0.00 0.75 -1.57 121.76 131.25 1sn0 s ALA 108 Ca 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 1sn0 s ALA 108 Cb -0.19 -2.58 0.03 0.00 0.00 0.00 0.00 23.12 20.39 1sn0 s ALA 108 CO 0.12 0.38 0.05 -1.17 0.00 0.00 0.00 175.76 175.14 1sn0 s LEU 109 N -0.91 0.24 -0.28 0.00 2.96 -0.21 -0.87 118.68 119.61 1sn0 s LEU 109 Ca 0.28 -0.02 -0.09 0.00 -0.22 0.00 0.00 54.13 54.07 1sn0 s LEU 109 Cb -0.18 -0.20 -0.03 0.00 0.50 0.00 0.00 46.19 46.28 1sn0 s LEU 109 CO 0.17 -0.25 0.13 -0.22 -1.32 0.00 0.00 176.35 174.86 1sn0 s LEU 110 N 2.13 3.85 -0.11 -0.68 2.96 -0.36 -0.83 118.68 125.65 1sn0 s LEU 110 Ca 0.05 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 53.66 1sn0 s LEU 110 Cb -0.12 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 1sn0 s LEU 110 CO -0.04 -0.10 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.05 1sn0 s LEU 111 N 1.65 3.08 0.09 -0.68 1.43 0.49 -1.45 118.68 123.29 1sn0 s LEU 111 Ca 0.06 -0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 1sn0 s LEU 111 Cb -0.16 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 1sn0 s LEU 111 CO 0.06 0.25 -0.09 -0.44 0.23 0.00 0.00 176.35 176.36 1sn0 s SER 112 N -0.12 1.27 0.28 2.29 0.01 0.33 -0.30 113.70 117.46 1sn0 s SER 112 Ca 0.01 -0.80 0.02 0.00 1.31 0.00 0.00 55.95 56.50 1sn0 s SER 112 Cb -0.13 0.03 0.61 0.00 0.21 0.00 0.00 66.02 66.74 1sn0 s SER 112 CO 0.03 -0.29 1.80 -0.65 0.41 0.00 0.00 173.24 174.54 1sn0 h PRO 113 N 3.64 0.83 -0.29 12.44 0.11 -1.99 -2.53 132.00 144.22 1sn0 h PRO 113 Ca -0.37 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1sn0 h PRO 113 Cb 1.19 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1sn0 h PRO 113 CO 0.53 0.55 0.00 1.19 -0.21 0.00 0.00 178.00 180.06 1sn0 n PHE 114 N -4.71 1.03 -3.61 0.65 3.01 -1.26 -0.99 117.46 111.58 1sn0 n PHE 114 Ca 0.20 -0.90 -0.14 0.00 1.01 0.00 0.00 57.45 57.62 1sn0 n PHE 114 Cb 0.44 -0.34 -0.07 0.00 -0.01 0.00 0.00 39.48 39.50 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 -1.88 -0.68 0.03 4.37 0.15 -0.95 -4.95 113.70 109.78 1sn0 s SER 115 Ca 0.43 1.20 -0.00 0.00 0.70 0.00 0.00 55.95 58.28 1sn0 s SER 115 Cb 0.35 1.18 -0.02 0.00 -1.71 0.00 0.00 66.02 65.81 1sn0 s SER 115 CO 0.09 -0.30 -0.03 -0.72 1.20 0.00 0.00 173.24 173.48 1sn0 s TYR 116 N 0.03 0.31 -0.14 3.44 -0.85 -1.26 -0.51 117.35 118.37 1sn0 s TYR 116 Ca -0.02 -0.61 0.01 0.00 -0.52 0.00 0.00 57.07 55.93 1sn0 s TYR 116 Cb -0.04 -0.23 -0.00 0.00 0.38 0.00 0.00 41.96 42.07 1sn0 s TYR 116 CO 0.02 -0.22 -0.17 0.99 -1.52 0.00 0.00 175.55 174.65 1sn0 s THR 117 N -1.84 2.52 -0.24 -3.49 2.01 -0.53 -4.96 115.64 109.12 1sn0 s THR 117 Ca -0.12 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.00 1sn0 s THR 117 Cb -0.07 -2.04 -0.00 0.00 0.01 0.00 0.00 72.50 70.40 1sn0 s THR 117 CO -0.02 0.53 -0.01 0.28 -0.69 0.00 0.00 174.62 174.71 1sn0 s THR 118 N 0.68 3.51 0.16 -0.82 -1.32 -1.26 -1.22 115.64 115.37 1sn0 s THR 118 Ca -0.08 -0.58 0.10 0.00 -1.21 0.00 0.00 61.69 59.91 1sn0 s THR 118 Cb -0.16 -2.67 -0.04 0.00 -1.51 0.00 0.00 72.50 68.12 1sn0 s THR 118 CO 0.02 0.31 -0.22 -0.89 -2.21 0.00 0.00 174.62 171.63 1sn0 s THR 119 N 1.47 2.07 -0.02 5.08 2.01 -0.05 -5.00 115.64 121.20 1sn0 s THR 119 Ca 0.04 -1.87 0.06 0.00 0.31 0.00 0.00 61.69 60.23 1sn0 s THR 119 Cb -0.15 -1.92 -0.01 0.00 0.01 0.00 0.00 72.50 70.42 1sn0 s THR 119 CO -0.02 -0.14 -0.22 0.00 -0.69 0.00 0.00 174.62 173.56 1sn0 s ALA 120 N -1.60 1.84 -0.20 7.40 0.00 -1.26 -0.18 121.76 127.75 1sn0 s ALA 120 Ca 0.16 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 51.18 1sn0 s ALA 120 Cb -0.08 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.57 1sn0 s ALA 120 CO 0.07 0.43 -0.14 0.08 0.00 0.00 0.00 175.76 176.20 1sn0 s VAL 121 N -0.42 2.42 -1.46 0.00 1.01 -0.21 -4.98 120.40 116.76 1sn0 s VAL 121 Ca 0.06 -0.92 0.14 0.00 0.00 0.00 0.00 61.98 61.26 1sn0 s VAL 121 Cb -0.09 -2.10 0.30 0.00 0.00 0.00 0.00 36.38 34.49 1sn0 s VAL 121 CO -0.00 0.43 1.21 1.33 0.00 0.00 0.00 175.10 178.06 1sn0 n VAL 122 N 4.64 0.64 -3.71 2.92 0.24 -1.26 -1.21 118.33 120.60 1sn0 n VAL 122 Ca -0.19 -0.82 -0.14 0.00 -2.04 0.00 0.00 64.34 61.15 1sn0 n VAL 122 Cb 0.49 0.79 -0.09 0.00 -1.47 0.00 0.00 33.84 33.56 1sn0 n VAL 122 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1sn0 s SER 123 N -1.09 -0.40 0.22 -1.34 0.15 -1.26 -4.35 113.70 105.62 1sn0 s SER 123 Ca 0.26 0.63 0.24 0.00 0.70 0.00 0.00 55.95 57.78 1sn0 s SER 123 Cb 0.15 0.68 0.91 0.00 -1.71 0.00 0.00 66.02 66.06 1sn0 s SER 123 CO 0.20 -0.29 1.73 -1.54 1.20 0.00 0.00 173.24 174.54 1sn0 n SER 124 N 2.15 0.65 -4.25 5.45 3.41 -1.26 -4.84 113.62 114.92 1sn0 n SER 124 Ca -0.16 0.62 -0.15 0.00 -0.26 0.00 0.00 58.87 58.91 1sn0 n SER 124 Cb 0.57 -0.77 -0.10 0.00 -0.26 0.00 0.00 64.21 63.64 1sn0 n SER 124 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1sn0 s VAL 125 N -3.21 1.24 0.67 -3.33 -7.23 -1.26 -5.16 120.40 102.11 1sn0 s VAL 125 Ca 0.07 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 58.14 1sn0 s VAL 125 Cb 0.11 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 35.26 1sn0 s VAL 125 CO 0.46 -0.67 1.05 -2.28 -0.31 0.00 0.00 175.10 173.35 1sn0 s HIS 126 N -3.04 3.36 0.00 2.82 2.46 -1.26 -5.10 115.29 114.52 1sn0 s HIS 126 Ca 0.15 1.31 0.00 0.00 0.47 0.00 0.00 55.06 56.99 1sn0 s HIS 126 Cb 0.01 -2.84 0.00 0.00 -0.13 0.00 0.00 32.58 29.62 1sn0 s HIS 126 CO 0.02 -1.01 0.00 0.39 -2.47 0.00 0.00 174.74 171.67