#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sn2 h PRO 11 N 0.00 0.00 -3.68 0.00 0.13 -1.90 -3.44 132.00 123.11 1sn2 h PRO 11 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 1sn2 h PRO 11 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 1sn2 h PRO 11 CO 0.00 0.27 -0.77 -1.17 -0.23 0.00 0.00 178.00 176.11 1sn2 s LEU 12 N -6.37 1.27 0.24 1.56 2.96 -1.26 -0.76 118.68 116.31 1sn2 s LEU 12 Ca 0.05 -0.75 0.11 0.00 -0.22 0.00 0.00 54.13 53.32 1sn2 s LEU 12 Cb 0.07 -0.65 -0.05 0.00 0.50 0.00 0.00 46.19 46.06 1sn2 s LEU 12 CO 0.71 -0.28 -0.18 -0.04 -1.32 0.00 0.00 176.35 175.24 1sn2 s MET 13 N 1.81 1.75 0.16 1.98 -1.94 0.77 -4.58 119.30 119.25 1sn2 s MET 13 Ca -0.01 -1.59 0.07 0.00 -1.71 0.00 0.00 55.69 52.46 1sn2 s MET 13 Cb -0.17 -1.89 -0.04 0.00 2.01 0.00 0.00 34.83 34.75 1sn2 s MET 13 CO -0.07 0.37 -0.16 0.14 -0.01 0.00 0.00 175.02 175.28 1sn2 s VAL 14 N -2.12 1.65 -0.23 -6.03 -7.23 -1.26 -0.35 120.40 104.83 1sn2 s VAL 14 Ca 0.27 -1.92 -0.03 0.00 -1.81 0.00 0.00 61.98 58.48 1sn2 s VAL 14 Cb -0.07 -1.80 0.10 0.00 0.56 0.00 0.00 36.38 35.18 1sn2 s VAL 14 CO 0.14 -0.41 0.22 -0.75 -0.31 0.00 0.00 175.10 173.99 1sn2 s LYS 15 N -2.96 0.21 -0.16 4.82 2.47 -0.18 -4.29 119.74 119.66 1sn2 s LYS 15 Ca 0.15 0.02 -0.03 0.00 -1.56 0.00 0.00 55.97 54.55 1sn2 s LYS 15 Cb -0.04 -1.11 -0.02 0.00 -1.46 0.00 0.00 37.83 35.19 1sn2 s LYS 15 CO 0.05 -0.78 -0.05 0.42 0.16 0.00 0.00 175.35 175.15 1sn2 s ILE 16 N 2.30 3.78 0.11 5.43 1.01 -0.23 -0.71 121.20 132.89 1sn2 s ILE 16 Ca 0.07 -0.40 0.10 0.00 0.00 0.00 0.00 60.65 60.43 1sn2 s ILE 16 Cb -0.15 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 1sn2 s ILE 16 CO -0.20 0.49 -0.23 -0.76 0.00 0.00 0.00 174.94 174.24 1sn2 s LEU 17 N 0.44 2.45 -0.32 2.97 1.43 -0.13 -0.57 118.68 124.94 1sn2 s LEU 17 Ca -0.04 -0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 52.30 1sn2 s LEU 17 Cb -0.14 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 1sn2 s LEU 17 CO 0.03 0.19 0.18 -0.62 0.23 0.00 0.00 176.35 176.37 1sn2 s ASP 18 N -1.96 5.74 0.00 2.29 3.68 0.12 -0.70 116.67 125.85 1sn2 s ASP 18 Ca 0.15 -0.45 0.29 0.00 2.13 0.00 0.00 52.55 54.67 1sn2 s ASP 18 Cb -0.10 -2.05 1.24 0.00 -1.45 0.00 0.00 42.92 40.55 1sn2 s ASP 18 CO 0.07 -0.20 1.89 0.00 0.13 0.00 0.00 175.17 177.06 1sn2 n ALA 19 N 5.03 2.66 -0.05 3.66 0.00 0.47 -1.33 120.51 130.94 1sn2 n ALA 19 Ca -0.13 -0.20 -0.21 0.00 0.00 0.00 0.00 53.44 52.90 1sn2 n ALA 19 Cb 0.50 -1.39 -0.13 0.00 0.00 0.00 0.00 19.45 18.43 1sn2 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sn2 h VAL 20 N 0.20 0.99 0.00 0.00 2.07 -1.94 -3.40 116.25 114.17 1sn2 h VAL 20 Ca 0.00 -2.29 -0.13 0.00 0.82 0.00 0.00 66.70 65.10 1sn2 h VAL 20 Cb 0.39 2.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 1sn2 h VAL 20 CO 0.00 0.55 -1.24 0.11 0.02 0.00 0.00 177.57 177.00 1sn2 h LYS 21 N -0.63 0.00 -1.82 1.57 1.57 -1.93 -3.48 116.57 111.84 1sn2 h LYS 21 Ca -0.31 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.37 1sn2 h LYS 21 Cb 1.52 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.86 1sn2 h LYS 21 CO -0.07 0.26 -0.16 0.41 -0.57 0.00 0.00 179.45 179.32 1sn2 n GLY 22 N 1.34 0.48 3.22 3.86 0.00 -0.44 -5.06 105.19 108.59 1sn2 n GLY 22 Ca -0.07 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 1sn2 n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sn2 s THR 23 N -2.87 0.31 0.80 2.61 -4.23 -1.21 -5.00 115.64 106.05 1sn2 s THR 23 Ca 0.11 -1.97 -0.12 0.00 -1.18 0.00 0.00 61.69 58.53 1sn2 s THR 23 Cb -0.05 -2.31 0.08 0.00 1.34 0.00 0.00 72.50 71.56 1sn2 s THR 23 CO 0.13 -0.25 1.15 -2.84 -0.54 0.00 0.00 174.62 172.28 1sn2 s PRO 24 N -4.04 1.83 -0.50 3.99 0.02 -1.26 0.15 135.00 135.19 1sn2 s PRO 24 Ca 0.31 1.53 -0.18 0.00 0.02 0.00 0.00 61.00 62.68 1sn2 s PRO 24 Cb 0.07 -1.82 0.07 0.00 0.02 0.00 0.00 34.50 32.84 1sn2 s PRO 24 CO 0.07 -2.02 0.54 0.00 -0.33 0.00 0.00 177.00 175.27 1sn2 s ALA 25 N -2.44 3.46 0.44 -1.55 0.00 0.26 -4.50 121.76 117.42 1sn2 s ALA 25 Ca 0.68 -1.92 -0.09 0.00 0.00 0.00 0.00 51.96 50.63 1sn2 s ALA 25 Cb -0.24 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 1sn2 s ALA 25 CO 0.52 -1.92 0.79 0.20 0.00 0.00 0.00 175.76 175.34 1sn2 s GLY 26 N 2.73 1.80 -1.50 0.00 0.00 -1.26 -4.25 107.32 104.84 1sn2 s GLY 26 Ca 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 44.72 44.53 1sn2 s GLY 26 CO 0.09 -0.10 0.18 1.44 0.00 0.00 0.00 173.10 174.72 1sn2 n SER 27 N -1.64 -5.40 -4.66 1.64 7.64 -0.07 -4.94 113.62 106.18 1sn2 n SER 27 Ca 0.02 -0.10 -0.40 0.00 1.01 0.00 0.00 58.87 59.40 1sn2 n SER 27 Cb 0.54 -4.39 -0.06 0.00 -1.01 0.00 0.00 64.21 59.30 1sn2 n SER 27 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1sn2 s VAL 28 N -2.98 5.02 0.19 0.44 1.01 -1.26 -4.76 120.40 118.07 1sn2 s VAL 28 Ca 0.09 1.20 -0.28 0.00 0.00 0.00 0.00 61.98 62.99 1sn2 s VAL 28 Cb -0.04 -3.95 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 1sn2 s VAL 28 CO 0.11 0.12 0.89 0.00 0.00 0.00 0.00 175.10 176.21 1sn2 s ALA 29 N 1.86 3.36 0.06 5.51 0.00 -1.26 -1.08 121.76 130.21 1sn2 s ALA 29 Ca 0.29 0.52 -0.04 0.00 0.00 0.00 0.00 51.96 52.74 1sn2 s ALA 29 Cb -0.16 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1sn2 s ALA 29 CO 0.11 0.19 0.05 -0.48 0.00 0.00 0.00 175.76 175.62 1sn2 s LEU 30 N -0.93 2.11 -0.02 0.00 0.05 -0.34 -0.16 118.68 119.39 1sn2 s LEU 30 Ca 0.40 -0.87 0.02 0.00 0.05 0.00 0.00 54.13 53.72 1sn2 s LEU 30 Cb -0.24 0.50 0.01 0.00 -2.05 0.00 0.00 46.19 44.40 1sn2 s LEU 30 CO 0.30 -0.64 -0.05 -0.75 -0.55 0.00 0.00 176.35 174.65 1sn2 s LYS 31 N -3.89 0.60 -0.16 1.48 2.20 -0.33 -1.73 119.74 117.92 1sn2 s LYS 31 Ca 0.06 -0.17 -0.04 0.00 -0.36 0.00 0.00 55.97 55.46 1sn2 s LYS 31 Cb 0.07 -0.60 -0.03 0.00 -1.51 0.00 0.00 37.83 35.76 1sn2 s LYS 31 CO -0.10 0.05 -0.03 0.08 -0.36 0.00 0.00 175.35 174.99 1sn2 s VAL 32 N 0.25 3.94 0.11 4.02 1.01 0.51 -0.88 120.40 129.37 1sn2 s VAL 32 Ca -0.03 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.68 1sn2 s VAL 32 Cb -0.07 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1sn2 s VAL 32 CO -0.00 0.49 -0.15 -0.44 0.00 0.00 0.00 175.10 175.00 1sn2 s SER 33 N 0.39 2.04 -0.07 3.32 0.01 0.35 -0.98 113.70 118.76 1sn2 s SER 33 Ca -0.03 -0.76 0.03 0.00 1.31 0.00 0.00 55.95 56.50 1sn2 s SER 33 Cb -0.14 -0.08 -0.02 0.00 0.21 0.00 0.00 66.02 65.99 1sn2 s SER 33 CO 0.03 -0.10 -0.14 -1.58 0.41 0.00 0.00 173.24 171.86 1sn2 s GLN 34 N -2.38 2.69 0.19 12.44 0.74 0.24 -0.64 119.66 132.94 1sn2 s GLN 34 Ca 0.07 -0.70 -0.30 0.00 0.05 0.00 0.00 55.36 54.48 1sn2 s GLN 34 Cb -0.07 -2.42 -0.09 0.00 1.10 0.00 0.00 33.01 31.53 1sn2 s GLN 34 CO 0.03 0.53 1.30 0.21 -0.55 0.00 0.00 175.29 176.81 1sn2 s LYS 35 N -0.49 4.40 0.57 1.67 2.20 0.64 -0.76 119.74 127.98 1sn2 s LYS 35 Ca 0.06 2.03 0.02 0.00 -0.36 0.00 0.00 55.97 57.72 1sn2 s LYS 35 Cb -0.12 -3.20 0.05 0.00 -1.51 0.00 0.00 37.83 33.05 1sn2 s LYS 35 CO 0.02 -0.24 0.80 0.95 -0.36 0.00 0.00 175.35 176.52 1sn2 s THR 36 N 0.12 2.56 0.61 3.43 -4.23 0.30 -4.75 115.64 113.68 1sn2 s THR 36 Ca 0.56 -0.69 0.32 0.00 -1.18 0.00 0.00 61.69 60.70 1sn2 s THR 36 Cb -0.36 -2.87 0.37 0.00 1.34 0.00 0.00 72.50 70.98 1sn2 s THR 36 CO 0.38 0.00 2.24 0.00 -0.54 0.00 0.00 174.62 176.70 1sn2 h ALA 37 N 0.00 1.48 -0.70 3.99 0.00 -1.96 -0.97 119.26 121.11 1sn2 h ALA 37 Ca -0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1sn2 h ALA 37 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1sn2 h ALA 37 CO 0.49 -0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.27 1sn2 n ASP 38 N -3.68 3.92 0.00 0.00 5.75 -1.26 -4.92 116.55 116.36 1sn2 n ASP 38 Ca -0.02 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 1sn2 n ASP 38 Cb 0.13 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 1sn2 n ASP 38 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sn2 n GLY 39 N 1.66 0.71 0.00 6.12 0.00 -0.37 -5.06 105.19 108.26 1sn2 n GLY 39 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1sn2 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sn2 n GLY 40 N -2.54 0.11 3.03 -0.02 0.00 -1.26 -4.79 105.19 99.73 1sn2 n GLY 40 Ca 0.00 -1.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.00 1sn2 n GLY 40 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sn2 s TRP 41 N -0.11 0.75 -0.07 1.61 0.52 -1.26 -0.54 118.94 119.83 1sn2 s TRP 41 Ca 0.00 -0.24 0.04 0.00 0.02 0.00 0.00 56.10 55.92 1sn2 s TRP 41 Cb 0.00 -0.46 0.00 0.00 -1.15 0.00 0.00 33.47 31.86 1sn2 s TRP 41 CO 0.00 -0.02 -0.20 -0.08 0.02 0.00 0.00 176.95 176.67 1sn2 s THR 42 N -0.54 1.69 -0.02 2.01 -1.32 0.06 -4.90 115.64 112.62 1sn2 s THR 42 Ca -0.00 -0.83 -0.30 0.00 -1.21 0.00 0.00 61.69 59.35 1sn2 s THR 42 Cb -0.05 -1.47 -0.03 0.00 -1.51 0.00 0.00 72.50 69.43 1sn2 s THR 42 CO 0.00 0.48 1.10 -1.58 -2.21 0.00 0.00 174.62 172.41 1sn2 s GLN 43 N 0.27 4.44 -0.01 7.08 0.74 -1.26 -0.59 119.66 130.33 1sn2 s GLN 43 Ca -0.12 1.57 0.08 0.00 0.05 0.00 0.00 55.36 56.94 1sn2 s GLN 43 Cb -0.15 -3.48 -0.12 0.00 1.10 0.00 0.00 33.01 30.36 1sn2 s GLN 43 CO 0.05 -0.26 0.21 0.44 -0.55 0.00 0.00 175.29 175.18 1sn2 n ILE 44 N 4.24 0.00 -3.54 -2.34 -5.35 -0.15 -4.95 119.36 107.27 1sn2 n ILE 44 Ca 0.09 -0.21 -0.11 0.00 -0.27 0.00 0.00 62.75 62.25 1sn2 n ILE 44 Cb 0.48 0.42 -0.04 0.00 -1.74 0.00 0.00 39.64 38.76 1sn2 n ILE 44 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sn2 s ALA 45 N -2.45 -1.87 0.14 -1.28 0.00 -1.12 -5.00 121.76 110.18 1sn2 s ALA 45 Ca -0.02 1.33 0.01 0.00 0.00 0.00 0.00 51.96 53.28 1sn2 s ALA 45 Cb 0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1sn2 s ALA 45 CO 0.34 -0.46 -0.01 0.95 0.00 0.00 0.00 175.76 176.58 1sn2 s THR 46 N -1.86 0.58 0.00 0.00 -4.23 -1.26 -0.36 115.64 108.51 1sn2 s THR 46 Ca -0.01 -1.95 -0.28 0.00 -1.18 0.00 0.00 61.69 58.27 1sn2 s THR 46 Cb -0.01 -1.94 0.10 0.00 1.34 0.00 0.00 72.50 72.00 1sn2 s THR 46 CO -0.01 -0.63 1.27 -0.83 -0.54 0.00 0.00 174.62 173.87 1sn2 s GLY 47 N -3.10 -0.19 -0.01 3.99 0.00 -0.71 -5.00 107.32 102.30 1sn2 s GLY 47 Ca 0.19 0.19 0.01 0.00 0.00 0.00 0.00 44.72 45.11 1sn2 s GLY 47 CO 0.00 3.82 -0.03 0.14 0.00 0.00 0.00 173.10 177.04 1sn2 s VAL 48 N -2.15 0.28 0.48 1.40 1.01 -1.26 -1.20 120.40 118.97 1sn2 s VAL 48 Ca 0.25 -0.08 -0.22 0.00 0.00 0.00 0.00 61.98 61.92 1sn2 s VAL 48 Cb 0.01 -0.29 -0.07 0.00 0.00 0.00 0.00 36.38 36.03 1sn2 s VAL 48 CO -0.01 0.12 1.20 0.42 0.00 0.00 0.00 175.10 176.83 1sn2 s THR 49 N 0.34 2.90 0.41 3.92 -4.23 -0.24 -4.79 115.64 113.95 1sn2 s THR 49 Ca -0.03 0.67 -0.07 0.00 -1.18 0.00 0.00 61.69 61.07 1sn2 s THR 49 Cb -0.06 -3.33 0.09 0.00 1.34 0.00 0.00 72.50 70.54 1sn2 s THR 49 CO -0.01 -0.02 0.56 -0.90 -0.54 0.00 0.00 174.62 173.72 1sn2 n ASP 50 N -0.66 0.08 0.10 3.99 5.68 0.24 -0.90 116.55 125.08 1sn2 n ASP 50 Ca 0.08 -1.22 0.09 0.00 -0.50 0.00 0.00 54.79 53.24 1sn2 n ASP 50 Cb 0.48 -0.43 0.41 0.00 -1.14 0.00 0.00 41.12 40.44 1sn2 n ASP 50 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sn2 n ALA 51 N -3.34 1.35 0.79 2.12 0.00 -1.26 -1.12 120.51 119.04 1sn2 n ALA 51 Ca -0.09 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1sn2 n ALA 51 Cb 0.25 -1.27 0.26 0.00 0.00 0.00 0.00 19.45 18.68 1sn2 n ALA 51 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1sn2 n THR 52 N -2.00 0.28 -1.47 0.00 -2.24 -1.26 -4.60 114.28 102.99 1sn2 n THR 52 Ca 0.01 -0.55 -0.02 0.00 -2.27 0.00 0.00 64.05 61.22 1sn2 n THR 52 Cb 0.12 0.90 -0.01 0.00 -2.10 0.00 0.00 70.33 69.24 1sn2 n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sn2 n GLY 53 N 1.35 0.43 3.46 3.38 0.00 -0.28 -4.70 105.19 108.84 1sn2 n GLY 53 Ca 0.17 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 1sn2 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sn2 s GLU 54 N -2.98 1.63 -0.13 1.61 2.02 -1.26 -1.06 118.70 118.54 1sn2 s GLU 54 Ca 0.00 -1.84 -0.02 0.00 0.02 0.00 0.00 54.97 53.13 1sn2 s GLU 54 Cb 0.00 -1.27 0.04 0.00 0.10 0.00 0.00 34.13 33.01 1sn2 s GLU 54 CO 0.00 0.04 0.01 0.42 0.02 0.00 0.00 175.26 175.74 1sn2 s ILE 55 N -2.94 0.51 0.23 -1.63 1.01 -1.26 -0.60 121.20 116.53 1sn2 s ILE 55 Ca 0.31 -0.22 -0.20 0.00 0.00 0.00 0.00 60.65 60.54 1sn2 s ILE 55 Cb 0.04 -0.81 -0.08 0.00 0.01 0.00 0.00 42.46 41.62 1sn2 s ILE 55 CO 0.13 0.06 0.74 -1.00 0.00 0.00 0.00 174.94 174.87 1sn2 s HIS 56 N 1.89 3.63 -1.31 3.97 3.76 -1.26 -4.25 115.29 121.73 1sn2 s HIS 56 Ca 0.02 1.40 -0.02 0.00 -0.15 0.00 0.00 55.06 56.31 1sn2 s HIS 56 Cb -0.14 -2.63 0.01 0.00 1.11 0.00 0.00 32.58 30.93 1sn2 s HIS 56 CO -0.07 0.31 0.81 0.09 -0.85 0.00 0.00 174.74 175.04 1sn2 n ASN 57 N 0.65 -1.91 -0.03 1.40 4.13 -1.26 -4.92 115.26 113.32 1sn2 n ASN 57 Ca -0.02 -0.76 -0.12 0.00 1.68 0.00 0.00 54.58 55.37 1sn2 n ASN 57 Cb 0.51 -4.32 -0.06 0.00 -1.54 0.00 0.00 39.78 34.36 1sn2 n ASN 57 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1sn2 h LEU 58 N -1.93 0.19 -8.01 3.41 5.85 -1.81 -3.46 115.31 109.55 1sn2 h LEU 58 Ca -0.60 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 57.75 1sn2 h LEU 58 Cb 1.36 -0.05 -0.13 0.00 0.37 0.00 0.00 40.66 42.21 1sn2 h LEU 58 CO 0.56 0.41 -0.32 0.27 -0.34 0.00 0.00 178.44 179.02 1sn2 s ILE 59 N -5.14 0.08 0.36 4.05 -4.36 -1.26 -4.86 121.20 110.07 1sn2 s ILE 59 Ca -0.14 -1.32 0.05 0.00 -0.26 0.00 0.00 60.65 58.98 1sn2 s ILE 59 Cb 0.05 -1.73 -0.01 0.00 1.25 0.00 0.00 42.46 42.03 1sn2 s ILE 59 CO 0.70 -0.36 0.52 0.42 0.24 0.00 0.00 174.94 176.46 1sn2 s THR 60 N -3.94 4.14 0.37 8.37 -4.23 -1.26 -4.48 115.64 114.60 1sn2 s THR 60 Ca 0.14 -0.86 0.04 0.00 -1.18 0.00 0.00 61.69 59.83 1sn2 s THR 60 Cb 0.03 -3.46 0.26 0.00 1.34 0.00 0.00 72.50 70.68 1sn2 s THR 60 CO -0.02 -0.22 2.03 -0.33 -0.54 0.00 0.00 174.62 175.54 1sn2 h GLU 61 N 0.78 0.72 -0.51 3.99 5.08 -1.98 -1.21 114.58 121.45 1sn2 h GLU 61 Ca -0.46 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 57.82 1sn2 h GLU 61 Cb 1.25 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1sn2 h GLU 61 CO 0.54 0.48 0.19 0.37 -1.00 0.00 0.00 179.01 179.59 1sn2 h GLN 62 N 0.74 0.74 -0.06 2.33 4.15 -2.03 -1.96 115.11 119.01 1sn2 h GLN 62 Ca 0.20 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1sn2 h GLN 62 Cb -0.08 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.48 1sn2 h GLN 62 CO -0.04 0.62 0.00 1.04 -1.93 0.00 0.00 178.83 178.52 1sn2 n GLN 63 N -4.33 1.22 -3.08 1.69 6.02 -0.47 -4.41 117.38 114.00 1sn2 n GLN 63 Ca 0.04 -0.33 -0.24 0.00 -0.01 0.00 0.00 57.00 56.47 1sn2 n GLN 63 Cb 0.17 -1.27 -0.04 0.00 1.02 0.00 0.00 30.24 30.11 1sn2 n GLN 63 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1sn2 n PHE 64 N -0.42 2.47 -1.70 1.08 7.35 -0.74 -4.89 117.46 120.61 1sn2 n PHE 64 Ca 0.12 -3.93 -0.30 0.00 -0.76 0.00 0.00 57.45 52.59 1sn2 n PHE 64 Cb 0.13 -0.46 0.08 0.00 0.35 0.00 0.00 39.48 39.58 1sn2 n PHE 64 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1sn2 s PRO 65 N -2.91 2.16 0.32 -7.13 0.04 -1.26 -4.78 135.00 121.44 1sn2 s PRO 65 Ca 0.44 0.46 -0.28 0.00 0.04 0.00 0.00 61.00 61.67 1sn2 s PRO 65 Cb 0.29 -1.94 -0.13 0.00 0.04 0.00 0.00 34.50 32.75 1sn2 s PRO 65 CO -0.11 -1.52 1.15 0.00 0.04 0.00 0.00 177.00 176.56 1sn2 n ALA 66 N -3.34 0.54 0.00 8.56 0.00 -1.26 -4.90 120.51 120.12 1sn2 n ALA 66 Ca 0.07 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1sn2 n ALA 66 Cb 0.58 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.89 1sn2 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sn2 n GLY 67 N 0.99 -0.78 3.74 0.00 0.00 -1.01 -4.97 105.19 103.16 1sn2 n GLY 67 Ca 0.07 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.35 1sn2 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sn2 s VAL 68 N -1.95 5.02 0.13 1.61 1.01 -1.26 0.44 120.40 125.40 1sn2 s VAL 68 Ca 0.00 1.20 0.08 0.00 0.00 0.00 0.00 61.98 63.27 1sn2 s VAL 68 Cb 0.00 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1sn2 s VAL 68 CO 0.00 0.36 -0.20 -0.31 0.00 0.00 0.00 175.10 174.95 1sn2 s TYR 69 N 0.23 1.82 -0.10 5.22 1.51 0.04 -0.26 117.35 125.81 1sn2 s TYR 69 Ca 0.31 -0.44 0.01 0.00 -1.01 0.00 0.00 57.07 55.94 1sn2 s TYR 69 Cb -0.17 -0.96 0.02 0.00 -0.11 0.00 0.00 41.96 40.74 1sn2 s TYR 69 CO 0.15 0.27 -0.12 0.50 -1.11 0.00 0.00 175.55 175.24 1sn2 s ARG 70 N -2.30 1.87 -0.19 -0.62 3.52 0.18 -1.38 118.95 120.03 1sn2 s ARG 70 Ca 0.11 -0.43 -0.03 0.00 -0.13 0.00 0.00 55.73 55.25 1sn2 s ARG 70 Cb -0.08 -1.68 -0.01 0.00 -1.56 0.00 0.00 34.95 31.62 1sn2 s ARG 70 CO 0.05 -0.11 -0.07 0.08 -0.81 0.00 0.00 175.30 174.45 1sn2 s VAL 71 N 1.14 3.31 -0.20 7.11 1.01 -0.07 -0.49 120.40 132.20 1sn2 s VAL 71 Ca -0.05 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 1sn2 s VAL 71 Cb -0.14 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1sn2 s VAL 71 CO -0.03 0.45 0.01 -1.61 0.00 0.00 0.00 175.10 173.93 1sn2 s GLU 72 N 1.14 3.63 -0.16 2.72 2.02 -0.06 -0.79 118.70 127.21 1sn2 s GLU 72 Ca 0.02 -0.51 -0.03 0.00 0.02 0.00 0.00 54.97 54.47 1sn2 s GLU 72 Cb -0.14 -3.11 -0.02 0.00 0.10 0.00 0.00 34.13 30.96 1sn2 s GLU 72 CO -0.01 -0.00 -0.06 -0.06 0.02 0.00 0.00 175.26 175.15 1sn2 s PHE 73 N 1.04 2.97 -1.37 1.61 0.40 0.12 -1.18 117.98 121.57 1sn2 s PHE 73 Ca 0.02 -0.43 -0.13 0.00 -0.60 0.00 0.00 56.93 55.79 1sn2 s PHE 73 Cb -0.14 -1.95 0.09 0.00 0.51 0.00 0.00 43.02 41.53 1sn2 s PHE 73 CO 0.02 -0.12 2.00 -3.47 0.70 0.00 0.00 175.22 174.34 1sn2 n ASP 74 N 3.65 4.49 0.17 1.36 -0.08 0.78 -1.58 116.55 125.34 1sn2 n ASP 74 Ca -0.18 -2.95 0.04 0.00 -1.51 0.00 0.00 54.79 50.19 1sn2 n ASP 74 Cb 0.52 -1.61 0.27 0.00 2.34 0.00 0.00 41.12 42.65 1sn2 n ASP 74 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1sn2 h THR 75 N 4.15 1.02 -0.35 5.18 1.35 -1.86 -2.84 112.91 119.55 1sn2 h THR 75 Ca 0.48 -1.75 -0.02 0.00 -0.55 0.00 0.00 66.41 64.58 1sn2 h THR 75 Cb 0.68 2.03 -0.02 0.00 -1.73 0.00 0.00 68.15 69.12 1sn2 h THR 75 CO 1.71 0.44 0.15 0.50 -0.25 0.00 0.00 175.52 178.07 1sn2 h LYS 76 N 0.00 0.52 -0.46 4.72 3.64 -1.78 -0.77 116.57 122.43 1sn2 h LYS 76 Ca -0.00 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 1sn2 h LYS 76 Cb 1.00 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 1sn2 h LYS 76 CO 0.06 0.50 0.13 0.00 -2.27 0.00 0.00 179.45 177.87 1sn2 h ALA 77 N 1.00 0.61 -0.27 5.00 0.00 -1.89 -0.45 119.26 123.26 1sn2 h ALA 77 Ca 0.12 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1sn2 h ALA 77 Cb 0.16 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 1sn2 h ALA 77 CO -0.01 0.28 -0.26 -0.92 0.00 0.00 0.00 179.25 178.33 1sn2 h TYR 78 N 0.62 -0.70 -0.19 0.00 3.20 -1.22 -0.32 116.97 118.35 1sn2 h TYR 78 Ca 0.15 0.04 -0.17 0.00 3.14 0.00 0.00 58.73 61.89 1sn2 h TYR 78 Cb 0.29 0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.91 1sn2 h TYR 78 CO 0.02 -0.34 -0.58 -1.49 -1.64 0.00 0.00 178.16 174.13 1sn2 h TRP 79 N -0.26 0.78 -0.52 -3.82 4.06 -0.94 -2.18 115.95 113.08 1sn2 h TRP 79 Ca 0.14 -0.29 0.04 0.00 2.06 0.00 0.00 58.89 60.85 1sn2 h TRP 79 Cb 0.48 -0.14 -0.04 0.00 -1.00 0.00 0.00 29.16 28.46 1sn2 h TRP 79 CO -0.43 1.05 0.27 1.15 -3.56 0.00 0.00 178.44 176.92 1sn2 h THR 80 N 0.47 0.97 0.00 1.49 2.02 -0.89 -1.02 112.91 115.93 1sn2 h THR 80 Ca 0.00 -0.18 -0.05 0.00 0.77 0.00 0.00 66.41 66.95 1sn2 h THR 80 Cb 1.14 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1sn2 h THR 80 CO 0.11 0.10 -0.24 -1.13 0.37 0.00 0.00 175.52 174.73 1sn2 h ASN 81 N 0.52 0.00 0.45 4.18 -1.24 -0.86 -1.84 115.58 116.79 1sn2 h ASN 81 Ca 0.23 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.24 1sn2 h ASN 81 Cb 0.13 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.18 1sn2 h ASN 81 CO -0.15 0.24 0.00 0.00 -1.29 0.00 0.00 177.43 176.23 1sn2 n GLN 82 N -4.00 0.48 -0.93 6.67 1.13 -0.53 -4.89 117.38 115.31 1sn2 n GLN 82 Ca -0.02 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1sn2 n GLN 82 Cb 0.31 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.16 1sn2 n GLN 82 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sn2 n GLY 83 N 1.06 0.46 2.92 1.08 0.00 -0.69 -5.05 105.19 104.97 1sn2 n GLY 83 Ca 0.15 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 1sn2 n GLY 83 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sn2 n SER 84 N 1.18 1.60 -4.00 1.61 2.88 -0.50 -5.02 113.62 111.37 1sn2 n SER 84 Ca 0.00 -2.16 -0.31 0.00 -1.33 0.00 0.00 58.87 55.07 1sn2 n SER 84 Cb 0.00 -0.31 -0.15 0.00 -0.75 0.00 0.00 64.21 63.00 1sn2 n SER 84 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1sn2 s THR 85 N -1.70 2.00 0.43 2.46 2.01 -1.26 -4.35 115.64 115.22 1sn2 s THR 85 Ca 0.45 -1.83 -0.09 0.00 0.31 0.00 0.00 61.69 60.53 1sn2 s THR 85 Cb -0.04 -2.31 -0.06 0.00 0.01 0.00 0.00 72.50 70.11 1sn2 s THR 85 CO 0.28 -0.32 0.78 -2.16 -0.69 0.00 0.00 174.62 172.51 1sn2 s PRO 86 N 1.11 3.72 -0.18 4.92 0.04 -1.26 -4.70 135.00 138.65 1sn2 s PRO 86 Ca 0.01 0.41 -0.19 0.00 0.04 0.00 0.00 61.00 61.27 1sn2 s PRO 86 Cb -0.19 -2.38 -0.16 0.00 0.04 0.00 0.00 34.50 31.81 1sn2 s PRO 86 CO -0.08 -0.08 0.21 0.35 0.04 0.00 0.00 177.00 177.44 1sn2 h PHE 87 N 1.00 0.00 -3.89 0.56 3.57 -1.41 -3.48 116.94 113.29 1sn2 h PHE 87 Ca -0.47 0.00 -0.49 0.00 3.53 0.00 0.00 57.97 60.54 1sn2 h PHE 87 Cb 1.19 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.94 1sn2 h PHE 87 CO 0.60 1.05 0.42 -1.01 -2.23 0.00 0.00 178.31 177.14 1sn2 s HIS 88 N -2.27 3.48 -0.24 0.41 3.76 -1.26 -4.94 115.29 114.22 1sn2 s HIS 88 Ca -0.23 1.70 0.18 0.00 -0.15 0.00 0.00 55.06 56.56 1sn2 s HIS 88 Cb 0.03 -3.14 0.13 0.00 1.11 0.00 0.00 32.58 30.71 1sn2 s HIS 88 CO 0.50 -0.40 1.42 1.49 -0.85 0.00 0.00 174.74 176.90 1sn2 h GLU 89 N 3.13 0.00 -1.89 1.40 4.57 -1.98 -3.37 114.58 116.44 1sn2 h GLU 89 Ca -0.47 0.00 0.16 0.00 -1.18 0.00 0.00 59.36 57.87 1sn2 h GLU 89 Cb 1.21 0.00 -0.18 0.00 -0.16 0.00 0.00 28.75 29.62 1sn2 h GLU 89 CO 0.65 0.31 0.62 0.54 -1.18 0.00 0.00 179.01 179.94 1sn2 s VAL 90 N -3.06 0.00 -0.22 0.32 0.11 -1.26 -4.45 120.40 111.85 1sn2 s VAL 90 Ca 0.04 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.06 1sn2 s VAL 90 Cb 0.07 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 1sn2 s VAL 90 CO 0.73 0.00 -0.07 0.00 -3.33 0.00 0.00 175.10 172.43 1sn2 s ALA 91 N -2.59 2.72 -0.10 1.54 0.00 -0.61 -4.92 121.76 117.78 1sn2 s ALA 91 Ca 0.06 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 50.81 1sn2 s ALA 91 Cb -0.01 -1.62 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 1sn2 s ALA 91 CO -0.06 -0.48 -0.16 -1.21 0.00 0.00 0.00 175.76 173.85 1sn2 s GLU 92 N 1.42 3.07 -0.23 0.00 2.02 -1.26 0.13 118.70 123.85 1sn2 s GLU 92 Ca 0.05 -0.73 0.01 0.00 0.02 0.00 0.00 54.97 54.32 1sn2 s GLU 92 Cb -0.14 -2.50 0.04 0.00 0.10 0.00 0.00 34.13 31.63 1sn2 s GLU 92 CO -0.05 0.32 -0.12 0.08 0.02 0.00 0.00 175.26 175.51 1sn2 s VAL 93 N 0.05 2.31 -0.15 2.63 1.01 0.03 -4.98 120.40 121.30 1sn2 s VAL 93 Ca -0.06 -1.27 0.01 0.00 0.00 0.00 0.00 61.98 60.66 1sn2 s VAL 93 Cb -0.15 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.04 1sn2 s VAL 93 CO 0.05 0.20 -0.18 -0.69 0.00 0.00 0.00 175.10 174.47 1sn2 s VAL 94 N 1.21 2.37 -0.02 2.92 1.01 -1.26 -0.89 120.40 125.74 1sn2 s VAL 94 Ca -0.02 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 1sn2 s VAL 94 Cb -0.17 -1.98 0.03 0.00 0.00 0.00 0.00 36.38 34.27 1sn2 s VAL 94 CO -0.07 0.53 0.39 0.72 0.00 0.00 0.00 175.10 176.67 1sn2 s PHE 95 N 0.86 -0.28 -0.36 5.22 -0.12 -0.48 -5.00 117.98 117.82 1sn2 s PHE 95 Ca -0.05 0.45 -0.24 0.00 -0.05 0.00 0.00 56.93 57.04 1sn2 s PHE 95 Cb -0.15 0.17 0.01 0.00 -0.63 0.00 0.00 43.02 42.42 1sn2 s PHE 95 CO -0.02 -0.44 0.82 0.34 -0.05 0.00 0.00 175.22 175.87 1sn2 s ASP 96 N -1.33 6.60 0.07 1.98 3.68 -1.26 -0.78 116.67 125.64 1sn2 s ASP 96 Ca -0.13 0.45 -0.25 0.00 2.13 0.00 0.00 52.55 54.75 1sn2 s ASP 96 Cb -0.04 -2.42 -0.06 0.00 -1.45 0.00 0.00 42.92 38.96 1sn2 s ASP 96 CO 0.05 -0.75 0.78 0.00 0.13 0.00 0.00 175.17 175.38 1sn2 s ALA 97 N 3.18 3.38 -0.51 3.66 0.00 0.17 -4.90 121.76 126.74 1sn2 s ALA 97 Ca 0.33 0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.64 1sn2 s ALA 97 Cb -0.13 -3.01 0.15 0.00 0.00 0.00 0.00 23.12 20.14 1sn2 s ALA 97 CO 0.17 0.10 0.33 -1.01 0.00 0.00 0.00 175.76 175.35 1sn2 s HIS 98 N -0.26 2.27 -2.42 0.00 0.09 -1.26 -2.41 115.29 111.30 1sn2 s HIS 98 Ca 0.39 -2.68 0.25 0.00 -0.00 0.00 0.00 55.06 53.01 1sn2 s HIS 98 Cb -0.21 -1.94 0.87 0.00 -0.00 0.00 0.00 32.58 31.30 1sn2 s HIS 98 CO 0.24 -0.73 1.63 -0.35 -0.00 0.00 0.00 174.74 175.54 1sn2 n PRO 99 N 2.95 1.74 -1.71 8.40 -0.04 -1.26 -4.73 135.00 140.35 1sn2 n PRO 99 Ca 0.16 -1.10 -0.39 0.00 -0.04 0.00 0.00 63.50 62.13 1sn2 n PRO 99 Cb 0.37 -1.44 0.04 0.00 -0.04 0.00 0.00 33.50 32.43 1sn2 n PRO 99 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1sn2 n GLU 100 N 0.32 1.60 -2.89 0.54 0.00 -1.26 -1.95 120.64 117.00 1sn2 n GLU 100 Ca 0.18 0.59 -0.11 0.00 0.00 0.00 0.00 57.16 57.81 1sn2 n GLU 100 Cb 0.36 -2.44 0.03 0.00 0.00 0.00 0.00 31.44 29.39 1sn2 n GLU 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sn2 n GLY 101 N 0.87 0.23 3.89 -1.84 0.00 -1.26 -3.84 105.19 103.24 1sn2 n GLY 101 Ca 0.10 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 1sn2 n GLY 101 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1sn2 n HIS 102 N -3.69 -1.71 -3.41 1.61 1.44 -1.11 -4.94 115.22 103.41 1sn2 n HIS 102 Ca -0.01 0.75 -0.38 0.00 -2.01 0.00 0.00 57.72 56.07 1sn2 n HIS 102 Cb 0.54 -3.86 -0.07 0.00 0.12 0.00 0.00 29.99 26.71 1sn2 n HIS 102 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1sn2 s ARG 103 N -6.41 4.22 0.17 -1.40 3.00 -0.82 -4.34 118.95 113.37 1sn2 s ARG 103 Ca 0.02 0.21 0.08 0.00 0.00 0.00 0.00 55.73 56.05 1sn2 s ARG 103 Cb -0.01 -3.50 -0.04 0.00 0.00 0.00 0.00 34.95 31.40 1sn2 s ARG 103 CO 0.87 0.05 -0.07 -1.01 0.00 0.00 0.00 175.30 175.14 1sn2 s HIS 104 N 1.03 2.71 -0.06 -0.53 3.76 0.00 -4.50 115.29 117.69 1sn2 s HIS 104 Ca 0.19 -0.19 0.04 0.00 -0.15 0.00 0.00 55.06 54.95 1sn2 s HIS 104 Cb -0.14 -1.33 -0.02 0.00 1.11 0.00 0.00 32.58 32.19 1sn2 s HIS 104 CO 0.07 0.50 -0.16 0.71 -0.85 0.00 0.00 174.74 175.02 1sn2 s TYR 105 N -1.64 2.66 -0.16 1.40 1.51 0.06 -1.66 117.35 119.53 1sn2 s TYR 105 Ca 0.25 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 56.04 1sn2 s TYR 105 Cb -0.09 -1.64 0.02 0.00 -0.11 0.00 0.00 41.96 40.13 1sn2 s TYR 105 CO 0.16 0.08 -0.21 0.99 -1.11 0.00 0.00 175.55 175.47 1sn2 s THR 106 N -0.53 2.04 -0.44 -0.71 2.01 -0.29 -0.16 115.64 117.55 1sn2 s THR 106 Ca 0.07 -0.95 -0.19 0.00 0.31 0.00 0.00 61.69 60.94 1sn2 s THR 106 Cb -0.11 -1.82 0.03 0.00 0.01 0.00 0.00 72.50 70.60 1sn2 s THR 106 CO 0.01 0.54 0.54 -0.76 -0.69 0.00 0.00 174.62 174.26 1sn2 s LEU 107 N 1.06 4.79 -0.07 4.42 1.43 0.53 -0.97 118.68 129.87 1sn2 s LEU 107 Ca -0.01 -0.63 -0.14 0.00 -1.03 0.00 0.00 54.13 52.32 1sn2 s LEU 107 Cb -0.14 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 1sn2 s LEU 107 CO -0.07 -0.70 0.36 0.00 0.23 0.00 0.00 176.35 176.16 1sn2 s ALA 108 N 2.43 3.67 -0.06 4.21 0.00 -0.14 -1.01 121.76 130.86 1sn2 s ALA 108 Ca 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 51.79 1sn2 s ALA 108 Cb -0.17 -2.37 0.03 0.00 0.00 0.00 0.00 23.12 20.61 1sn2 s ALA 108 CO 0.15 0.35 -0.01 -1.17 0.00 0.00 0.00 175.76 175.08 1sn2 s LEU 109 N -0.49 0.80 -0.31 0.00 2.96 0.11 -1.63 118.68 120.12 1sn2 s LEU 109 Ca 0.21 -0.08 -0.06 0.00 -0.22 0.00 0.00 54.13 53.99 1sn2 s LEU 109 Cb -0.15 -0.40 0.03 0.00 0.50 0.00 0.00 46.19 46.17 1sn2 s LEU 109 CO 0.10 -0.15 0.07 -0.22 -1.32 0.00 0.00 176.35 174.82 1sn2 s LEU 110 N 1.63 3.98 -0.17 -0.68 2.96 -0.14 -0.96 118.68 125.30 1sn2 s LEU 110 Ca -0.00 -0.93 -0.07 0.00 -0.22 0.00 0.00 54.13 52.90 1sn2 s LEU 110 Cb -0.13 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1sn2 s LEU 110 CO -0.04 -0.24 0.06 -0.76 -1.32 0.00 0.00 176.35 174.05 1sn2 s LEU 111 N 1.43 3.80 0.12 -0.68 1.43 0.13 -1.56 118.68 123.35 1sn2 s LEU 111 Ca 0.00 0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 1sn2 s LEU 111 Cb -0.18 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1sn2 s LEU 111 CO 0.02 0.21 -0.12 -0.44 0.23 0.00 0.00 176.35 176.24 1sn2 s SER 112 N 0.17 1.82 0.30 2.29 0.01 0.19 -0.40 113.70 118.08 1sn2 s SER 112 Ca 0.04 -0.85 0.05 0.00 1.31 0.00 0.00 55.95 56.49 1sn2 s SER 112 Cb -0.12 -0.04 0.68 0.00 0.21 0.00 0.00 66.02 66.75 1sn2 s SER 112 CO 0.01 -0.21 1.81 -0.65 0.41 0.00 0.00 173.24 174.61 1sn2 h PRO 113 N 3.36 0.83 -0.22 12.44 0.11 -1.99 -2.67 132.00 143.86 1sn2 h PRO 113 Ca -0.38 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1sn2 h PRO 113 Cb 1.19 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1sn2 h PRO 113 CO 0.54 0.55 0.00 1.19 -0.21 0.00 0.00 178.00 180.07 1sn2 n PHE 114 N -4.67 0.74 -3.59 0.65 3.01 -1.26 -0.98 117.46 111.36 1sn2 n PHE 114 Ca 0.21 -0.86 -0.14 0.00 1.01 0.00 0.00 57.45 57.67 1sn2 n PHE 114 Cb 0.47 -0.26 -0.06 0.00 -0.01 0.00 0.00 39.48 39.62 1sn2 n PHE 114 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1sn2 s SER 115 N -1.98 -0.60 0.04 4.37 0.15 -1.01 -4.94 113.70 109.74 1sn2 s SER 115 Ca 0.38 0.93 -0.06 0.00 0.70 0.00 0.00 55.95 57.89 1sn2 s SER 115 Cb 0.31 0.86 -0.01 0.00 -1.71 0.00 0.00 66.02 65.47 1sn2 s SER 115 CO 0.08 -0.36 0.12 -0.72 1.20 0.00 0.00 173.24 173.57 1sn2 s TYR 116 N -0.39 0.17 -0.14 3.44 -0.85 -1.26 -0.64 117.35 117.67 1sn2 s TYR 116 Ca -0.03 -0.46 0.02 0.00 -0.52 0.00 0.00 57.07 56.07 1sn2 s TYR 116 Cb -0.03 -0.12 0.00 0.00 0.38 0.00 0.00 41.96 42.20 1sn2 s TYR 116 CO 0.02 -0.39 -0.19 0.99 -1.52 0.00 0.00 175.55 174.46 1sn2 s THR 117 N -2.66 2.30 -0.20 -3.49 2.01 -0.60 -4.96 115.64 108.03 1sn2 s THR 117 Ca -0.04 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.03 1sn2 s THR 117 Cb -0.01 -1.94 -0.00 0.00 0.01 0.00 0.00 72.50 70.56 1sn2 s THR 117 CO -0.05 0.54 -0.09 0.28 -0.69 0.00 0.00 174.62 174.61 1sn2 s THR 118 N 0.79 3.07 0.16 -0.82 -1.32 -1.26 -0.96 115.64 115.29 1sn2 s THR 118 Ca -0.07 -0.60 0.05 0.00 -1.21 0.00 0.00 61.69 59.85 1sn2 s THR 118 Cb -0.16 -2.36 -0.05 0.00 -1.51 0.00 0.00 72.50 68.42 1sn2 s THR 118 CO -0.01 0.46 -0.10 -0.89 -2.21 0.00 0.00 174.62 171.88 1sn2 s THR 119 N 1.29 1.22 0.01 5.08 2.01 -0.65 -5.02 115.64 119.59 1sn2 s THR 119 Ca 0.03 -2.08 0.06 0.00 0.31 0.00 0.00 61.69 60.02 1sn2 s THR 119 Cb -0.14 -1.91 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 1sn2 s THR 119 CO -0.04 -0.70 -0.18 0.00 -0.69 0.00 0.00 174.62 173.02 1sn2 s ALA 120 N -3.29 1.48 -0.18 7.40 0.00 -1.26 -0.97 121.76 124.93 1sn2 s ALA 120 Ca 0.18 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 1sn2 s ALA 120 Cb 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.81 1sn2 s ALA 120 CO 0.02 0.35 -0.13 0.08 0.00 0.00 0.00 175.76 176.07 1sn2 s VAL 121 N -0.55 2.73 -0.17 0.00 1.01 -0.14 -4.98 120.40 118.30 1sn2 s VAL 121 Ca 0.06 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 1sn2 s VAL 121 Cb -0.07 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 1sn2 s VAL 121 CO 0.00 0.49 -0.01 -0.69 0.00 0.00 0.00 175.10 174.90 1sn2 s VAL 122 N 1.12 4.10 0.04 2.92 1.01 -1.26 -1.14 120.40 127.18 1sn2 s VAL 122 Ca 0.01 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1sn2 s VAL 122 Cb -0.14 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 1sn2 s VAL 122 CO -0.04 0.47 -0.08 -0.94 0.00 0.00 0.00 175.10 174.50 1sn2 s SER 123 N 0.56 0.94 0.00 3.32 1.04 -0.66 -4.97 113.70 113.93 1sn2 s SER 123 Ca -0.01 -0.49 0.15 0.00 0.48 0.00 0.00 55.95 56.08 1sn2 s SER 123 Cb -0.14 0.00 0.55 0.00 0.10 0.00 0.00 66.02 66.54 1sn2 s SER 123 CO 0.02 -0.14 1.40 -1.54 0.98 0.00 0.00 173.24 173.97 1sn2 n SER 124 N 1.68 1.41 0.00 7.02 3.41 -1.26 -0.82 113.62 125.07 1sn2 n SER 124 Ca -0.21 -1.82 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 1sn2 n SER 124 Cb 0.55 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1sn2 n SER 124 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21