#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2da0 s SER 2 N 0.00 1.19 0.04 1.61 1.04 -1.26 -5.05 113.70 111.27 2da0 s SER 2 Ca 0.00 1.65 0.05 0.00 0.48 0.00 0.00 55.95 58.13 2da0 s SER 2 Cb 0.00 -2.37 -0.02 0.00 0.10 0.00 0.00 66.02 63.73 2da0 s SER 2 CO 0.00 -4.09 -0.14 -0.94 0.98 0.00 0.00 173.24 169.05 2da0 s SER 3 N -2.49 1.60 0.11 7.02 1.04 -1.26 -5.15 113.70 114.57 2da0 s SER 3 Ca 0.68 -0.44 0.04 0.00 0.48 0.00 0.00 55.95 56.71 2da0 s SER 3 Cb -0.25 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.73 2da0 s SER 3 CO 0.64 0.03 0.10 -0.83 0.98 0.00 0.00 173.24 174.16 2da0 s GLY 4 N -1.09 1.91 -1.01 7.32 0.00 -1.26 -5.06 107.32 108.13 2da0 s GLY 4 Ca 0.01 -1.09 -0.06 0.00 0.00 0.00 0.00 44.72 43.58 2da0 s GLY 4 CO 0.01 -1.08 0.96 -0.56 0.00 0.00 0.00 173.10 172.43 2da0 s SER 5 N -2.65 6.74 0.22 1.64 0.01 -1.26 -4.92 113.70 113.48 2da0 s SER 5 Ca 0.30 -3.60 -0.18 0.00 1.31 0.00 0.00 55.95 53.78 2da0 s SER 5 Cb -0.11 -2.08 0.22 0.00 0.21 0.00 0.00 66.02 64.25 2da0 s SER 5 CO 0.22 -0.26 1.56 0.28 0.41 0.00 0.00 173.24 175.46 2da0 h SER 6 N 6.46 -1.37 0.00 2.44 0.02 -2.08 -3.47 113.55 115.55 2da0 h SER 6 Ca 0.16 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 2da0 h SER 6 Cb 0.86 0.72 0.00 0.00 0.14 0.00 0.00 62.40 64.12 2da0 h SER 6 CO 0.94 -0.29 0.00 0.61 -1.14 0.00 0.00 176.83 176.94 2da0 n GLY 7 N -1.47 -0.01 0.08 -3.77 0.00 -1.26 -5.06 105.19 93.70 2da0 n GLY 7 Ca 0.09 -0.74 -0.16 0.00 0.00 0.00 0.00 46.02 45.21 2da0 n GLY 7 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2da0 h TYR 8 N 0.00 0.02 0.00 1.61 -1.99 -1.96 -3.51 116.97 111.14 2da0 h TYR 8 Ca 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.71 2da0 h TYR 8 Cb 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2da0 h TYR 8 CO 0.00 1.16 0.00 0.41 -0.00 0.00 0.00 178.16 179.73 2da0 n GLY 9 N 1.56 3.29 1.23 3.88 0.00 -1.26 -4.85 105.19 109.04 2da0 n GLY 9 Ca -0.17 -1.54 -0.05 0.00 0.00 0.00 0.00 46.02 44.27 2da0 n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2da0 n SER 10 N 0.00 3.03 -3.66 1.61 3.41 -1.26 -4.42 113.62 112.34 2da0 n SER 10 Ca 0.00 -2.36 -0.08 0.00 -0.26 0.00 0.00 58.87 56.18 2da0 n SER 10 Cb 0.00 -0.58 -0.08 0.00 -0.26 0.00 0.00 64.21 63.30 2da0 n SER 10 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2da0 s GLU 11 N -0.87 0.61 -0.13 4.33 8.01 -1.26 -4.43 118.70 124.96 2da0 s GLU 11 Ca 0.13 1.12 -0.30 0.00 0.01 0.00 0.00 54.97 55.94 2da0 s GLU 11 Cb 0.11 0.15 0.13 0.00 -4.31 0.00 0.00 34.13 30.21 2da0 s GLU 11 CO 0.03 -0.16 1.01 0.21 0.01 0.00 0.00 175.26 176.36 2da0 s LYS 12 N 1.69 0.59 0.22 1.61 2.20 -0.58 -5.03 119.74 120.45 2da0 s LYS 12 Ca -0.09 0.01 -0.02 0.00 -0.36 0.00 0.00 55.97 55.50 2da0 s LYS 12 Cb -0.07 0.28 -0.03 0.00 -1.51 0.00 0.00 37.83 36.50 2da0 s LYS 12 CO -0.18 -0.21 0.21 -1.59 -0.36 0.00 0.00 175.35 173.22 2da0 s LYS 13 N -1.71 1.33 0.00 4.03 0.00 -1.26 0.14 119.74 122.27 2da0 s LYS 13 Ca 0.01 -1.60 0.00 0.00 0.00 0.00 0.00 55.97 54.38 2da0 s LYS 13 Cb -0.01 0.31 0.00 0.00 0.00 0.00 0.00 37.83 38.14 2da0 s LYS 13 CO -0.02 -0.47 0.00 0.41 0.00 0.00 0.00 175.35 175.27 2da0 n GLY 14 N -0.33 -0.48 3.04 0.59 0.00 0.60 -4.96 105.19 103.66 2da0 n GLY 14 Ca 0.02 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 2da0 n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2da0 s TYR 15 N -1.33 0.70 0.06 1.61 1.51 -1.26 -0.13 117.35 118.51 2da0 s TYR 15 Ca 0.00 -0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 55.68 2da0 s TYR 15 Cb 0.00 -0.43 -0.02 0.00 -0.11 0.00 0.00 41.96 41.40 2da0 s TYR 15 CO 0.00 -0.04 0.07 -0.51 -1.11 0.00 0.00 175.55 173.96 2da0 s LEU 16 N -1.01 2.00 0.17 -1.29 1.43 -0.62 -4.88 118.68 114.48 2da0 s LEU 16 Ca -0.04 -0.78 -0.16 0.00 -1.03 0.00 0.00 54.13 52.12 2da0 s LEU 16 Cb -0.07 0.55 -0.07 0.00 0.03 0.00 0.00 46.19 46.63 2da0 s LEU 16 CO 0.00 -0.62 0.62 -0.76 0.23 0.00 0.00 176.35 175.82 2da0 s LEU 17 N -2.71 4.35 -0.02 1.79 1.43 -0.95 -0.21 118.68 122.36 2da0 s LEU 17 Ca 0.03 1.21 -0.01 0.00 -1.03 0.00 0.00 54.13 54.34 2da0 s LEU 17 Cb 0.05 -3.38 0.01 0.00 0.03 0.00 0.00 46.19 42.90 2da0 s LEU 17 CO -0.09 0.08 0.04 -0.75 0.23 0.00 0.00 176.35 175.86 2da0 s LYS 18 N -1.93 0.02 0.34 1.70 2.20 0.43 -1.97 119.74 120.53 2da0 s LYS 18 Ca 0.39 0.10 -0.28 0.00 -0.36 0.00 0.00 55.97 55.82 2da0 s LYS 18 Cb -0.16 -0.06 -0.12 0.00 -1.51 0.00 0.00 37.83 35.98 2da0 s LYS 18 CO 0.20 -0.06 1.37 1.17 -0.36 0.00 0.00 175.35 177.67 2da0 n LYS 19 N 3.42 2.30 -2.22 4.03 3.00 -1.20 -1.24 118.16 126.26 2da0 n LYS 19 Ca -0.17 0.81 -0.42 0.00 -0.00 0.00 0.00 58.31 58.53 2da0 n LYS 19 Cb 0.57 -2.44 -0.03 0.00 0.00 0.00 0.00 35.03 33.12 2da0 n LYS 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2da0 s SER 20 N -0.16 6.87 -0.88 3.14 0.15 -0.23 -4.85 113.70 117.74 2da0 s SER 20 Ca 0.56 2.25 -0.22 0.00 0.70 0.00 0.00 55.95 59.24 2da0 s SER 20 Cb -0.55 -2.58 0.08 0.00 -1.71 0.00 0.00 66.02 61.26 2da0 s SER 20 CO 0.61 -0.63 1.21 1.51 1.20 0.00 0.00 173.24 177.13 2da0 s ASP 21 N 1.22 6.44 0.00 5.45 1.47 -1.26 -4.45 116.67 125.54 2da0 s ASP 21 Ca 0.64 -1.45 0.00 0.00 1.18 0.00 0.00 52.55 52.91 2da0 s ASP 21 Cb -0.35 -2.47 0.00 0.00 -0.34 0.00 0.00 42.92 39.76 2da0 s ASP 21 CO 0.30 -1.37 0.00 0.61 0.68 0.00 0.00 175.17 175.38 2da0 n GLY 22 N 5.87 -0.50 0.33 2.12 0.00 -1.26 -4.99 105.19 106.76 2da0 n GLY 22 Ca 0.18 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 2da0 n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2da0 h ILE 23 N 0.00 0.34 -3.44 -0.61 1.08 -2.06 -3.41 117.51 109.40 2da0 h ILE 23 Ca 0.00 0.00 -0.54 0.00 -0.39 0.00 0.00 64.86 63.93 2da0 h ILE 23 Cb 0.00 0.34 -0.03 0.00 -3.07 0.00 0.00 36.82 34.05 2da0 h ILE 23 CO 0.00 0.00 -0.03 0.00 -0.69 0.00 0.00 178.15 177.43 2da0 s ARG 24 N -6.02 4.01 -0.70 2.37 1.70 -1.26 -5.00 118.95 114.04 2da0 s ARG 24 Ca -0.16 0.56 0.01 0.00 -0.47 0.00 0.00 55.73 55.67 2da0 s ARG 24 Cb 0.09 -2.81 0.38 0.00 -0.57 0.00 0.00 34.95 32.03 2da0 s ARG 24 CO 0.65 0.39 1.70 0.36 -1.08 0.00 0.00 175.30 177.32 2da0 n LYS 25 N 0.48 3.00 -2.32 3.89 2.85 -1.26 -4.46 118.16 120.34 2da0 n LYS 25 Ca -0.03 -3.88 -0.41 0.00 -1.05 0.00 0.00 58.31 52.95 2da0 n LYS 25 Cb 0.52 -2.26 -0.03 0.00 -0.65 0.00 0.00 35.03 32.60 2da0 n LYS 25 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2da0 s VAL 26 N -5.24 3.33 -0.45 0.58 -7.23 -1.26 -4.30 120.40 105.83 2da0 s VAL 26 Ca 0.51 1.19 -0.29 0.00 -1.81 0.00 0.00 61.98 61.58 2da0 s VAL 26 Cb 0.43 -3.76 0.01 0.00 0.56 0.00 0.00 36.38 33.62 2da0 s VAL 26 CO -0.33 0.22 1.35 0.26 -0.31 0.00 0.00 175.10 176.29 2da0 s TRP 27 N -0.42 2.47 -0.15 2.82 0.52 -1.26 -1.06 118.94 121.86 2da0 s TRP 27 Ca 0.51 0.65 -0.05 0.00 0.02 0.00 0.00 56.10 57.24 2da0 s TRP 27 Cb -0.34 -4.36 -0.03 0.00 -1.15 0.00 0.00 33.47 27.58 2da0 s TRP 27 CO 0.40 -1.83 0.01 -0.65 0.02 0.00 0.00 176.95 174.91 2da0 s GLN 28 N 4.92 3.61 -0.08 4.98 -1.52 -0.37 -4.83 119.66 126.37 2da0 s GLN 28 Ca 0.57 -0.43 -0.28 0.00 -1.95 0.00 0.00 55.36 53.27 2da0 s GLN 28 Cb -0.12 -2.99 -0.02 0.00 -0.22 0.00 0.00 33.01 29.66 2da0 s GLN 28 CO 0.31 0.37 0.91 -0.98 -0.25 0.00 0.00 175.29 175.65 2da0 s ARG 29 N 0.04 4.44 0.08 2.91 1.70 -1.26 -0.43 118.95 126.43 2da0 s ARG 29 Ca 0.03 1.23 0.07 0.00 -0.47 0.00 0.00 55.73 56.59 2da0 s ARG 29 Cb -0.13 -3.51 -0.03 0.00 -0.57 0.00 0.00 34.95 30.72 2da0 s ARG 29 CO 0.02 -0.16 -0.19 0.50 -1.08 0.00 0.00 175.30 174.38 2da0 s ARG 30 N 1.50 1.11 0.01 3.89 6.06 0.71 -4.93 118.95 127.29 2da0 s ARG 30 Ca 0.45 -1.03 -0.30 0.00 -2.50 0.00 0.00 55.73 52.35 2da0 s ARG 30 Cb -0.19 -1.27 -0.06 0.00 0.06 0.00 0.00 34.95 33.49 2da0 s ARG 30 CO 0.20 0.30 1.52 0.21 -2.50 0.00 0.00 175.30 175.03 2da0 s LYS 31 N -1.63 4.24 0.23 5.12 2.20 -1.26 -1.58 119.74 127.05 2da0 s LYS 31 Ca 0.05 2.11 0.11 0.00 -0.36 0.00 0.00 55.97 57.88 2da0 s LYS 31 Cb -0.09 -3.64 -0.05 0.00 -1.51 0.00 0.00 37.83 32.54 2da0 s LYS 31 CO 0.03 -0.67 -0.20 0.00 -0.36 0.00 0.00 175.35 174.15 2da0 s SER 33 N -3.12 -0.73 -0.13 0.00 1.04 -1.12 -0.29 113.70 109.36 2da0 s SER 33 Ca 0.24 1.31 0.00 0.00 0.48 0.00 0.00 55.95 57.99 2da0 s SER 33 Cb -0.06 1.27 0.02 0.00 0.10 0.00 0.00 66.02 67.36 2da0 s SER 33 CO 0.11 -0.22 -0.11 -0.69 0.98 0.00 0.00 173.24 173.31 2da0 s VAL 34 N 0.83 1.28 -0.07 5.02 1.01 0.12 -0.81 120.40 127.79 2da0 s VAL 34 Ca -0.04 -0.45 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 2da0 s VAL 34 Cb -0.05 -1.24 0.04 0.00 0.00 0.00 0.00 36.38 35.13 2da0 s VAL 34 CO -0.07 0.41 0.44 -0.75 0.00 0.00 0.00 175.10 175.13 2da0 s LYS 35 N 1.56 0.72 -1.24 2.72 2.20 -0.47 -1.52 119.74 123.71 2da0 s LYS 35 Ca 0.04 0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.79 2da0 s LYS 35 Cb -0.13 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 2da0 s LYS 35 CO -0.09 -0.18 0.00 0.09 -0.36 0.00 0.00 175.35 174.81 2da0 n ASN 36 N 1.62 -3.76 -0.86 1.43 3.02 -1.26 -0.28 115.26 115.17 2da0 n ASN 36 Ca -0.19 0.25 -0.05 0.00 -0.03 0.00 0.00 54.58 54.56 2da0 n ASN 36 Cb 0.56 -3.34 0.01 0.00 -0.61 0.00 0.00 39.78 36.41 2da0 n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2da0 n GLY 37 N -0.54 0.38 2.83 7.41 0.00 -1.26 -5.00 105.19 109.02 2da0 n GLY 37 Ca -0.14 -0.58 -0.16 0.00 0.00 0.00 0.00 46.02 45.14 2da0 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2da0 s ILE 38 N -2.64 0.14 -0.26 -0.61 -1.09 0.61 -1.57 121.20 115.79 2da0 s ILE 38 Ca 0.06 0.06 -0.08 0.00 -2.23 0.00 0.00 60.65 58.47 2da0 s ILE 38 Cb -0.03 -0.21 -0.03 0.00 -1.58 0.00 0.00 42.46 40.61 2da0 s ILE 38 CO 0.08 0.11 0.08 -0.22 -1.23 0.00 0.00 174.94 173.76 2da0 s LEU 39 N 0.76 3.52 -0.04 2.97 2.96 -0.84 -1.37 118.68 126.63 2da0 s LEU 39 Ca -0.07 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.58 2da0 s LEU 39 Cb -0.10 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 2da0 s LEU 39 CO -0.02 -0.05 0.09 -0.89 -1.32 0.00 0.00 176.35 174.16 2da0 s THR 40 N 1.62 4.85 -0.17 3.68 2.01 0.01 -0.83 115.64 126.81 2da0 s THR 40 Ca 0.06 -0.25 -0.00 0.00 0.31 0.00 0.00 61.69 61.81 2da0 s THR 40 Cb -0.15 -3.17 0.04 0.00 0.01 0.00 0.00 72.50 69.23 2da0 s THR 40 CO 0.04 0.44 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.71 2da0 s ILE 41 N -1.12 1.24 0.39 1.82 1.01 -1.09 -2.77 121.20 120.68 2da0 s ILE 41 Ca 0.20 -0.68 -0.26 0.00 0.00 0.00 0.00 60.65 59.91 2da0 s ILE 41 Cb -0.12 -1.37 -0.09 0.00 0.01 0.00 0.00 42.46 40.90 2da0 s ILE 41 CO 0.10 0.18 1.19 -0.55 0.00 0.00 0.00 174.94 175.86 2da0 s SER 42 N 1.58 6.56 -0.54 3.58 0.15 -1.15 -2.53 113.70 121.35 2da0 s SER 42 Ca 0.01 2.40 -0.00 0.00 0.70 0.00 0.00 55.95 59.05 2da0 s SER 42 Cb -0.15 -2.62 -0.01 0.00 -1.71 0.00 0.00 66.02 61.53 2da0 s SER 42 CO -0.08 -0.65 0.46 1.57 1.20 0.00 0.00 173.24 175.73 2da0 n HIS 43 N 0.20 -1.03 -3.80 3.44 -0.00 -1.26 -4.75 115.22 108.02 2da0 n HIS 43 Ca 0.04 0.43 -0.23 0.00 -0.00 0.00 0.00 57.72 57.95 2da0 n HIS 43 Cb 0.46 -3.40 -0.02 0.00 -0.00 0.00 0.00 29.99 27.03 2da0 n HIS 43 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2da0 s ALA 44 N -3.17 3.87 -1.27 1.57 0.00 -1.25 -5.01 121.76 116.51 2da0 s ALA 44 Ca 0.03 -1.07 -0.19 0.00 0.00 0.00 0.00 51.96 50.73 2da0 s ALA 44 Cb -0.00 -1.86 0.03 0.00 0.00 0.00 0.00 23.12 21.29 2da0 s ALA 44 CO 0.34 0.26 1.78 0.95 0.00 0.00 0.00 175.76 179.09 2da0 s THR 45 N -2.00 3.98 0.16 0.00 -4.23 -1.26 -4.74 115.64 107.56 2da0 s THR 45 Ca 0.36 -1.66 -0.23 0.00 -1.18 0.00 0.00 61.69 58.98 2da0 s THR 45 Cb -0.10 -5.05 0.06 0.00 1.34 0.00 0.00 72.50 68.76 2da0 s THR 45 CO 0.30 -1.78 0.67 -0.44 -0.54 0.00 0.00 174.62 172.83 2da0 s SER 46 N 4.78 -0.47 -0.71 3.99 0.01 -1.26 -5.05 113.70 115.00 2da0 s SER 46 Ca 0.57 -0.13 -0.25 0.00 1.31 0.00 0.00 55.95 57.45 2da0 s SER 46 Cb 0.03 0.60 -0.14 0.00 0.21 0.00 0.00 66.02 66.71 2da0 s SER 46 CO 0.09 -1.00 2.43 0.59 0.41 0.00 0.00 173.24 175.75 2da0 n ASN 47 N -0.38 1.50 -3.94 2.44 3.02 -1.26 -3.19 115.26 113.44 2da0 n ASN 47 Ca -0.13 -0.77 -0.30 0.00 -0.03 0.00 0.00 54.58 53.35 2da0 n ASN 47 Cb 0.63 -1.42 -0.03 0.00 -0.61 0.00 0.00 39.78 38.35 2da0 n ASN 47 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2da0 n ARG 48 N 8.52 -0.69 -3.63 3.52 1.74 -1.26 -4.90 116.66 119.95 2da0 n ARG 48 Ca 0.47 -0.01 -0.12 0.00 -0.77 0.00 0.00 57.85 57.42 2da0 n ARG 48 Cb 0.40 -2.21 -0.07 0.00 -1.02 0.00 0.00 32.46 29.56 2da0 n ARG 48 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2da0 s GLN 49 N -6.61 0.79 1.21 5.56 2.00 -1.19 -5.16 119.66 116.27 2da0 s GLN 49 Ca 0.18 1.01 -0.20 0.00 -2.00 0.00 0.00 55.36 54.36 2da0 s GLN 49 Cb -0.10 0.35 0.29 0.00 0.80 0.00 0.00 33.01 34.35 2da0 s GLN 49 CO 0.75 -0.11 1.11 -1.25 -0.50 0.00 0.00 175.29 175.30 2da0 s PRO 50 N 0.60 -1.31 -0.45 1.67 0.04 -1.26 -4.00 135.00 130.29 2da0 s PRO 50 Ca -0.02 -0.10 -0.13 0.00 0.04 0.00 0.00 61.00 60.80 2da0 s PRO 50 Cb -0.05 -1.59 0.08 0.00 0.04 0.00 0.00 34.50 32.98 2da0 s PRO 50 CO -0.03 -3.76 0.35 0.00 0.04 0.00 0.00 177.00 173.59 2da0 s ALA 51 N -3.01 3.47 -0.06 8.56 0.00 -1.05 -4.88 121.76 124.79 2da0 s ALA 51 Ca 0.71 -2.13 -0.18 0.00 0.00 0.00 0.00 51.96 50.36 2da0 s ALA 51 Cb -0.09 -2.93 -0.05 0.00 0.00 0.00 0.00 23.12 20.05 2da0 s ALA 51 CO 0.56 -1.70 0.50 0.15 0.00 0.00 0.00 175.76 175.26 2da0 s LYS 52 N 1.56 4.26 0.06 0.00 1.02 -1.26 -2.67 119.74 122.72 2da0 s LYS 52 Ca 0.04 0.53 0.08 0.00 0.02 0.00 0.00 55.97 56.63 2da0 s LYS 52 Cb -0.24 -3.37 -0.03 0.00 -0.52 0.00 0.00 37.83 33.67 2da0 s LYS 52 CO 0.05 0.32 -0.18 -0.51 -0.92 0.00 0.00 175.35 174.10 2da0 s LEU 53 N 0.08 2.62 -0.50 3.17 1.43 -0.01 -4.94 118.68 120.53 2da0 s LEU 53 Ca 0.27 -0.46 -0.22 0.00 -1.03 0.00 0.00 54.13 52.68 2da0 s LEU 53 Cb -0.16 -1.52 0.04 0.00 0.03 0.00 0.00 46.19 44.58 2da0 s LEU 53 CO 0.13 0.23 0.80 0.21 0.23 0.00 0.00 176.35 177.95 2da0 s ASN 54 N -1.62 6.33 0.00 2.29 2.47 -1.26 -2.00 114.94 121.15 2da0 s ASN 54 Ca 0.15 -0.42 0.11 0.00 0.42 0.00 0.00 52.86 53.12 2da0 s ASN 54 Cb -0.10 -2.38 0.60 0.00 -1.45 0.00 0.00 41.25 37.91 2da0 s ASN 54 CO 0.06 -1.03 1.19 0.18 -3.72 0.00 0.00 177.10 173.79 2da0 n LEU 55 N 6.85 0.00 0.19 3.21 4.32 -0.61 -0.67 117.00 130.30 2da0 n LEU 55 Ca -0.00 0.18 0.11 0.00 -0.02 0.00 0.00 56.01 56.28 2da0 n LEU 55 Cb 0.47 -0.18 0.13 0.00 -1.62 0.00 0.00 43.42 42.23 2da0 n LEU 55 CO 0.59 -0.11 0.65 -0.07 -1.22 0.00 0.00 177.39 177.23 2da0 h LEU 56 N 0.00 0.00 0.00 2.23 3.38 -1.87 -3.37 115.31 115.68 2da0 h LEU 56 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2da0 h LEU 56 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2da0 h LEU 56 CO 0.00 0.03 -0.81 1.07 0.09 0.00 0.00 178.44 178.82 2da0 n THR 57 N -3.03 0.00 -1.37 0.22 5.66 -0.71 -5.02 114.28 110.03 2da0 n THR 57 Ca 0.03 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.60 2da0 n THR 57 Cb 0.55 -0.75 -0.01 0.00 -1.55 0.00 0.00 70.33 68.57 2da0 n THR 57 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2da0 s GLN 59 N -1.15 2.16 -0.75 0.00 0.74 -1.08 -4.96 119.66 114.62 2da0 s GLN 59 Ca 0.61 -1.57 -0.23 0.00 0.05 0.00 0.00 55.36 54.22 2da0 s GLN 59 Cb -0.70 -3.38 0.06 0.00 1.10 0.00 0.00 33.01 30.09 2da0 s GLN 59 CO 0.60 -0.85 1.12 0.08 -0.55 0.00 0.00 175.29 175.68 2da0 s VAL 60 N 1.18 4.16 -0.63 1.34 1.01 -1.26 -2.10 120.40 124.10 2da0 s VAL 60 Ca 0.02 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 2da0 s VAL 60 Cb -0.21 -4.80 0.16 0.00 0.00 0.00 0.00 36.38 31.53 2da0 s VAL 60 CO -0.03 -1.62 0.53 -0.54 0.00 0.00 0.00 175.10 173.44 2da0 s LYS 61 N 4.46 2.94 0.30 2.72 1.02 -0.61 -4.99 119.74 125.58 2da0 s LYS 61 Ca 0.29 -2.17 -0.29 0.00 0.02 0.00 0.00 55.97 53.83 2da0 s LYS 61 Cb -0.11 -4.10 -0.10 0.00 -0.52 0.00 0.00 37.83 33.00 2da0 s LYS 61 CO 0.07 -1.24 1.24 -1.25 -0.92 0.00 0.00 175.35 173.25 2da0 s PRO 62 N 0.67 4.46 1.11 -1.68 0.04 -1.26 -1.74 135.00 136.59 2da0 s PRO 62 Ca 0.12 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 63.03 2da0 s PRO 62 Cb -0.20 -3.13 0.29 0.00 0.04 0.00 0.00 34.50 31.50 2da0 s PRO 62 CO -0.04 -0.06 0.70 0.27 0.04 0.00 0.00 177.00 177.92 2da0 n ASN 63 N 1.16 -3.36 0.04 6.66 2.04 0.52 -4.93 115.26 117.40 2da0 n ASN 63 Ca 0.00 -0.74 0.00 0.00 -0.44 0.00 0.00 54.58 53.40 2da0 n ASN 63 Cb 0.43 -0.77 0.00 0.00 -2.53 0.00 0.00 39.78 36.91 2da0 n ASN 63 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2da0 n ALA 64 N -5.06 3.00 -0.27 -2.53 0.00 -1.26 -4.84 120.51 109.54 2da0 n ALA 64 Ca -0.15 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.23 2da0 n ALA 64 Cb 0.46 0.27 -0.00 0.00 0.00 0.00 0.00 19.45 20.18 2da0 n ALA 64 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2da0 h GLU 65 N 0.00 -0.12 0.00 0.00 5.08 -1.97 -3.42 114.58 114.15 2da0 h GLU 65 Ca 0.00 0.01 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 2da0 h GLU 65 Cb 0.34 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2da0 h GLU 65 CO 0.00 -0.08 -0.13 -0.25 -1.00 0.00 0.00 179.01 177.55 2da0 n ASP 66 N -5.43 2.18 -0.00 1.42 8.00 -1.26 -5.06 116.55 116.40 2da0 n ASP 66 Ca 0.05 -2.53 0.03 0.00 0.71 0.00 0.00 54.79 53.05 2da0 n ASP 66 Cb 0.36 -0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 41.15 2da0 n ASP 66 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2da0 n LYS 67 N -1.99 0.21 -2.23 -1.24 3.00 -1.26 -4.68 118.16 109.97 2da0 n LYS 67 Ca 0.09 -0.05 -0.36 0.00 -0.00 0.00 0.00 58.31 57.99 2da0 n LYS 67 Cb 0.56 -1.14 0.02 0.00 0.00 0.00 0.00 35.03 34.47 2da0 n LYS 67 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2da0 n LYS 68 N -1.71 3.31 -3.67 1.64 5.02 -1.26 -4.77 118.16 116.73 2da0 n LYS 68 Ca -0.01 -4.02 -0.09 0.00 -2.02 0.00 0.00 58.31 52.16 2da0 n LYS 68 Cb 0.16 -2.29 -0.10 0.00 -0.02 0.00 0.00 35.03 32.78 2da0 n LYS 68 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2da0 s SER 69 N -1.94 -0.27 -0.03 4.39 0.01 -1.26 -2.77 113.70 111.83 2da0 s SER 69 Ca 0.49 0.93 -0.07 0.00 1.31 0.00 0.00 55.95 58.62 2da0 s SER 69 Cb 0.39 1.15 0.01 0.00 0.21 0.00 0.00 66.02 67.78 2da0 s SER 69 CO -0.30 -0.22 0.16 0.72 0.41 0.00 0.00 173.24 174.00 2da0 s PHE 70 N 2.30 -0.08 -0.02 2.43 -0.12 -1.08 -0.36 117.98 121.05 2da0 s PHE 70 Ca -0.03 0.19 0.04 0.00 -0.05 0.00 0.00 56.93 57.07 2da0 s PHE 70 Cb -0.11 0.01 -0.03 0.00 -0.63 0.00 0.00 43.02 42.26 2da0 s PHE 70 CO -0.12 -0.18 -0.11 -0.51 -0.05 0.00 0.00 175.22 174.24 2da0 s ASP 71 N -0.58 4.29 -0.33 1.98 1.11 -0.71 -2.41 116.67 120.02 2da0 s ASP 71 Ca -0.07 -0.18 -0.02 0.00 0.18 0.00 0.00 52.55 52.46 2da0 s ASP 71 Cb -0.04 -0.94 0.06 0.00 1.07 0.00 0.00 42.92 43.07 2da0 s ASP 71 CO 0.01 0.32 0.06 -0.22 1.18 0.00 0.00 175.17 176.51 2da0 s LEU 72 N -1.06 4.26 -0.51 1.23 2.96 -0.85 -1.58 118.68 123.13 2da0 s LEU 72 Ca 0.14 -1.45 -0.23 0.00 -0.22 0.00 0.00 54.13 52.37 2da0 s LEU 72 Cb -0.11 -1.75 0.04 0.00 0.50 0.00 0.00 46.19 44.87 2da0 s LEU 72 CO 0.04 -0.33 0.85 -0.63 -1.32 0.00 0.00 176.35 174.95 2da0 s ILE 73 N 1.24 4.54 0.71 6.68 1.01 -0.89 -0.96 121.20 133.52 2da0 s ILE 73 Ca -0.01 0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.90 2da0 s ILE 73 Cb -0.20 -4.44 0.14 0.00 0.01 0.00 0.00 42.46 37.97 2da0 s ILE 73 CO -0.01 -0.94 0.98 -1.20 0.00 0.00 0.00 174.94 173.77 2da0 n SER 74 N 7.05 1.57 -4.54 3.58 7.64 0.22 -2.65 113.62 126.50 2da0 n SER 74 Ca 0.01 -2.27 -0.25 0.00 1.01 0.00 0.00 58.87 57.37 2da0 n SER 74 Cb 0.47 -0.61 -0.10 0.00 -1.01 0.00 0.00 64.21 62.96 2da0 n SER 74 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2da0 n HIS 75 N -2.76 0.95 -3.42 1.43 -0.00 -1.26 -1.53 115.22 108.63 2da0 n HIS 75 Ca 0.17 0.08 -0.18 0.00 0.46 0.00 0.00 57.72 58.25 2da0 n HIS 75 Cb 0.61 -2.21 0.08 0.00 -0.12 0.00 0.00 29.99 28.35 2da0 n HIS 75 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 2da0 n ASN 76 N 14.43 -3.21 -3.63 0.26 4.13 -1.26 -5.01 115.26 120.97 2da0 n ASN 76 Ca 0.51 -0.57 -0.11 0.00 1.68 0.00 0.00 54.58 56.09 2da0 n ASN 76 Cb 0.36 -4.89 -0.07 0.00 -1.54 0.00 0.00 39.78 33.63 2da0 n ASN 76 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 2da0 s ARG 77 N -5.57 0.68 -0.21 3.52 6.06 -0.58 -5.15 118.95 117.70 2da0 s ARG 77 Ca 0.16 0.86 -0.04 0.00 -2.50 0.00 0.00 55.73 54.22 2da0 s ARG 77 Cb -0.07 0.30 -0.01 0.00 0.06 0.00 0.00 34.95 35.23 2da0 s ARG 77 CO 0.70 -0.09 -0.05 0.99 -2.50 0.00 0.00 175.30 174.35 2da0 s THR 78 N 0.52 3.41 0.05 4.11 2.01 -1.26 0.72 115.64 125.20 2da0 s THR 78 Ca -0.00 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.53 2da0 s THR 78 Cb -0.05 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 2da0 s THR 78 CO -0.05 0.43 0.03 -0.31 -0.69 0.00 0.00 174.62 174.04 2da0 s TYR 79 N 1.32 3.11 -0.19 4.92 1.51 -0.14 -4.99 117.35 122.89 2da0 s TYR 79 Ca 0.04 0.06 -0.01 0.00 -1.01 0.00 0.00 57.07 56.15 2da0 s TYR 79 Cb -0.14 -1.63 0.01 0.00 -0.11 0.00 0.00 41.96 40.09 2da0 s TYR 79 CO -0.02 0.49 -0.14 -1.01 -1.11 0.00 0.00 175.55 173.77 2da0 s HIS 80 N -1.25 2.84 0.07 2.71 3.76 -1.26 -2.00 115.29 120.16 2da0 s HIS 80 Ca 0.24 -1.30 0.06 0.00 -0.15 0.00 0.00 55.06 53.91 2da0 s HIS 80 Cb -0.12 -1.98 -0.03 0.00 1.11 0.00 0.00 32.58 31.57 2da0 s HIS 80 CO 0.16 -0.66 -0.16 -0.06 -0.85 0.00 0.00 174.74 173.18 2da0 s PHE 81 N 1.27 1.35 -0.04 1.40 0.08 -1.01 -3.21 117.98 117.82 2da0 s PHE 81 Ca 0.03 -0.42 -0.01 0.00 0.12 0.00 0.00 56.93 56.65 2da0 s PHE 81 Cb -0.14 -0.77 0.03 0.00 -0.57 0.00 0.00 43.02 41.57 2da0 s PHE 81 CO -0.07 0.08 0.09 -1.14 -0.10 0.00 0.00 175.22 174.07 2da0 s GLN 82 N -1.55 0.02 0.28 0.44 0.74 -0.83 -2.62 119.66 116.13 2da0 s GLN 82 Ca 0.01 0.29 -0.17 0.00 0.05 0.00 0.00 55.36 55.54 2da0 s GLN 82 Cb -0.09 -0.23 -0.09 0.00 1.10 0.00 0.00 33.01 33.70 2da0 s GLN 82 CO 0.02 -0.18 0.73 0.00 -0.55 0.00 0.00 175.29 175.31 2da0 s ALA 83 N 1.21 3.36 -0.11 1.58 0.00 -1.12 -2.25 121.76 124.44 2da0 s ALA 83 Ca -0.08 0.09 -0.22 0.00 0.00 0.00 0.00 51.96 51.74 2da0 s ALA 83 Cb -0.12 -2.78 -0.19 0.00 0.00 0.00 0.00 23.12 20.02 2da0 s ALA 83 CO -0.04 0.33 0.70 0.93 0.00 0.00 0.00 175.76 177.68 2da0 h GLU 84 N 2.76 -0.04 -6.31 0.00 4.39 -1.92 -3.46 114.58 110.00 2da0 h GLU 84 Ca -0.48 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 58.61 2da0 h GLU 84 Cb 1.18 0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 29.70 2da0 h GLU 84 CO 0.65 0.65 -0.75 0.34 -1.16 0.00 0.00 179.01 178.75 2da0 s ASP 85 N -5.93 3.82 0.33 1.42 2.15 -1.26 -5.03 116.67 112.17 2da0 s ASP 85 Ca -0.14 -0.88 0.05 0.00 0.43 0.00 0.00 52.55 52.01 2da0 s ASP 85 Cb -0.01 -0.44 0.68 0.00 -0.30 0.00 0.00 42.92 42.84 2da0 s ASP 85 CO 0.54 0.05 1.89 -0.33 -0.17 0.00 0.00 175.17 177.15 2da0 h GLU 86 N 2.44 0.82 -0.45 4.34 5.08 -1.95 -1.61 114.58 123.25 2da0 h GLU 86 Ca -0.43 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 57.91 2da0 h GLU 86 Cb 1.24 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 2da0 h GLU 86 CO 0.57 0.54 0.26 -0.56 -1.00 0.00 0.00 179.01 178.82 2da0 h GLN 87 N 0.85 0.50 -0.41 2.33 3.07 -1.98 0.23 115.11 119.68 2da0 h GLN 87 Ca 0.41 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 59.11 2da0 h GLN 87 Cb 0.45 -0.11 -0.02 0.00 0.08 0.00 0.00 27.48 27.88 2da0 h GLN 87 CO -0.18 0.33 0.21 0.22 0.09 0.00 0.00 178.83 179.50 2da0 h ASP 88 N 0.51 0.52 0.17 0.06 3.58 -1.72 -2.22 116.42 117.33 2da0 h ASP 88 Ca 0.18 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 2da0 h ASP 88 Cb 0.04 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.96 2da0 h ASP 88 CO -0.10 0.48 -0.08 0.22 -2.88 0.00 0.00 179.24 176.88 2da0 h TYR 89 N 0.53 -0.21 -0.93 0.28 5.03 -1.05 0.16 116.97 120.78 2da0 h TYR 89 Ca 0.14 -0.01 0.37 0.00 2.58 0.00 0.00 58.73 61.82 2da0 h TYR 89 Cb 0.08 0.07 -0.17 0.00 1.55 0.00 0.00 36.73 38.26 2da0 h TYR 89 CO -0.02 -0.13 0.42 0.28 -1.32 0.00 0.00 178.16 177.39 2da0 n VAL 90 N -2.85 -0.39 0.09 1.81 0.31 0.76 -1.03 118.33 117.03 2da0 n VAL 90 Ca -0.03 1.91 -0.05 0.00 -0.01 0.00 0.00 64.34 66.16 2da0 n VAL 90 Cb 0.09 -3.05 -0.02 0.00 -0.91 0.00 0.00 33.84 29.95 2da0 n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2da0 h ALA 91 N 1.86 -0.35 -0.94 3.52 0.00 -1.39 -2.91 119.26 119.05 2da0 h ALA 91 Ca 0.75 -0.07 0.26 0.00 0.00 0.00 0.00 54.91 55.86 2da0 h ALA 91 Cb 1.94 0.12 -0.17 0.00 0.00 0.00 0.00 17.79 19.68 2da0 h ALA 91 CO -0.74 -0.33 0.04 0.91 0.00 0.00 0.00 179.25 179.14 2da0 n TRP 92 N -4.55 0.62 -0.19 0.00 5.03 0.56 0.14 117.44 119.05 2da0 n TRP 92 Ca -0.04 1.13 -0.08 0.00 3.03 0.00 0.00 57.50 61.54 2da0 n TRP 92 Cb 0.12 -1.22 0.02 0.00 -1.03 0.00 0.00 31.31 29.20 2da0 n TRP 92 CO 0.00 0.00 0.00 0.82 -0.03 0.00 0.00 177.69 178.48 2da0 h ILE 93 N 0.00 1.24 -0.87 -0.99 1.08 -1.19 -0.45 117.51 116.32 2da0 h ILE 93 Ca 0.58 -0.83 0.01 0.00 -0.39 0.00 0.00 64.86 64.23 2da0 h ILE 93 Cb 1.22 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 35.67 2da0 h ILE 93 CO -0.87 0.31 0.58 -1.28 -0.69 0.00 0.00 178.15 176.19 2da0 h SER 94 N 0.76 1.00 0.00 1.72 0.87 0.15 -2.43 113.55 115.62 2da0 h SER 94 Ca 0.17 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2da0 h SER 94 Cb 0.31 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2da0 h SER 94 CO -0.00 0.73 -0.00 0.58 -0.53 0.00 0.00 176.83 177.60 2da0 h VAL 95 N 1.18 0.00 -0.68 2.23 2.07 -0.83 0.10 116.25 120.33 2da0 h VAL 95 Ca 0.32 -0.00 0.25 0.00 0.82 0.00 0.00 66.70 68.09 2da0 h VAL 95 Cb -0.14 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.51 2da0 h VAL 95 CO -0.07 0.00 0.25 0.18 0.02 0.00 0.00 177.57 177.95 2da0 n LEU 96 N -2.01 0.14 -0.01 2.57 4.77 -0.20 0.13 117.00 122.39 2da0 n LEU 96 Ca -0.00 1.14 -0.17 0.00 -0.03 0.00 0.00 56.01 56.95 2da0 n LEU 96 Cb 0.00 -0.51 -0.13 0.00 -2.33 0.00 0.00 43.42 40.45 2da0 n LEU 96 CO 0.00 -1.23 0.24 0.74 -1.33 0.00 0.00 177.39 175.80 2da0 h THR 97 N 0.00 1.64 0.28 -5.08 2.02 -1.51 -3.20 112.91 107.05 2da0 h THR 97 Ca 0.52 -2.38 -0.01 0.00 0.77 0.00 0.00 66.41 65.32 2da0 h THR 97 Cb 1.31 3.22 -0.02 0.00 -1.74 0.00 0.00 68.15 70.92 2da0 h THR 97 CO -0.56 0.65 -0.33 0.78 0.37 0.00 0.00 175.52 176.43 2da0 h ASN 98 N -0.64 -0.91 -0.89 4.18 2.35 0.38 -2.19 115.58 117.86 2da0 h ASN 98 Ca -0.07 0.08 0.25 0.00 -0.55 0.00 0.00 56.30 56.00 2da0 h ASN 98 Cb 1.29 0.31 -0.15 0.00 0.05 0.00 0.00 38.32 39.82 2da0 h ASN 98 CO 0.08 -0.41 0.23 -1.28 -1.65 0.00 0.00 177.43 174.39 2da0 h SER 99 N -0.62 -0.03 0.09 5.81 0.87 -0.94 0.20 113.55 118.94 2da0 h SER 99 Ca -0.03 0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2da0 h SER 99 Cb 0.54 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 2da0 h SER 99 CO -0.06 -0.19 -0.14 0.50 -0.53 0.00 0.00 176.83 176.41 2da0 h LYS 100 N 0.18 -0.24 0.17 2.24 3.64 -1.44 0.03 116.57 121.16 2da0 h LYS 100 Ca 0.57 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.98 2da0 h LYS 100 Cb 1.17 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 2da0 h LYS 100 CO -0.68 -0.16 -0.31 0.93 -2.27 0.00 0.00 179.45 176.96 2da0 h GLU 101 N -0.25 -0.54 -1.02 1.90 4.39 -0.75 -0.42 114.58 117.91 2da0 h GLU 101 Ca -0.01 0.04 0.30 0.00 0.34 0.00 0.00 59.36 60.02 2da0 h GLU 101 Cb 0.23 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 2da0 h GLU 101 CO -0.05 -0.36 0.86 0.93 -1.16 0.00 0.00 179.01 179.23 2da0 h GLU 102 N -0.56 0.00 0.00 2.33 4.39 -0.59 1.17 114.58 121.33 2da0 h GLU 102 Ca 0.02 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.49 2da0 h GLU 102 Cb 0.57 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.18 2da0 h GLU 102 CO -0.15 0.00 -1.31 0.00 -1.16 0.00 0.00 179.01 176.39 2da0 h ALA 103 N 1.24 0.59 0.00 3.43 0.00 0.57 -3.28 119.26 121.82 2da0 h ALA 103 Ca 0.48 -1.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 2da0 h ALA 103 Cb 2.19 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 20.16 2da0 h ALA 103 CO -0.01 1.31 -0.25 -0.07 0.00 0.00 0.00 179.25 180.23 2da0 h LEU 104 N 0.00 0.00 -1.89 0.00 3.38 0.25 -2.97 115.31 114.08 2da0 h LEU 104 Ca -0.14 -0.04 0.38 0.00 0.09 0.00 0.00 57.88 58.17 2da0 h LEU 104 Cb 1.82 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.51 2da0 h LEU 104 CO 0.09 0.65 0.93 0.00 0.09 0.00 0.00 178.44 180.20 2da0 h THR 105 N -1.00 0.33 0.04 0.22 1.03 -0.24 0.96 112.91 114.24 2da0 h THR 105 Ca -0.01 -0.02 -0.24 0.00 -0.01 0.00 0.00 66.41 66.13 2da0 h THR 105 Cb 0.28 0.28 -0.02 0.00 -1.07 0.00 0.00 68.15 67.61 2da0 h THR 105 CO -0.00 0.01 -1.21 0.00 -0.01 0.00 0.00 175.52 174.30 2da0 h MET 106 N 0.05 0.08 -7.39 0.00 -0.00 -1.70 -3.47 114.93 102.50 2da0 h MET 106 Ca 0.65 -0.13 -0.49 0.00 -0.00 0.00 0.00 59.70 59.72 2da0 h MET 106 Cb 2.47 0.05 0.11 0.00 -0.00 0.00 0.00 31.60 34.23 2da0 h MET 106 CO -0.07 0.98 0.34 0.00 -0.00 0.00 0.00 176.91 178.17 2da0 s ALA 107 N -2.67 2.35 0.45 -3.00 0.00 0.33 -4.96 121.76 114.27 2da0 s ALA 107 Ca -0.02 -0.12 -0.20 0.00 0.00 0.00 0.00 51.96 51.61 2da0 s ALA 107 Cb 0.09 -3.13 -0.14 0.00 0.00 0.00 0.00 23.12 19.95 2da0 s ALA 107 CO 0.84 -1.60 0.24 1.19 0.00 0.00 0.00 175.76 176.42 2da0 n PHE 108 N -3.36 -1.60 0.15 0.00 3.72 -1.26 -4.93 117.46 110.18 2da0 n PHE 108 Ca 0.07 0.55 -0.07 0.00 -0.05 0.00 0.00 57.45 57.96 2da0 n PHE 108 Cb 0.55 -1.85 -0.03 0.00 -0.94 0.00 0.00 39.48 37.22 2da0 n PHE 108 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2da0 h SER 109 N 0.37 -0.36 -0.04 4.37 0.02 -1.92 -3.48 113.55 112.51 2da0 h SER 109 Ca -0.40 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2da0 h SER 109 Cb 1.43 0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.06 2da0 h SER 109 CO 0.47 -0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.73 2da0 n GLY 110 N 0.45 5.30 0.20 -3.77 0.00 -1.26 -5.05 105.19 101.06 2da0 n GLY 110 Ca -0.05 -1.43 -0.04 0.00 0.00 0.00 0.00 46.02 44.49 2da0 n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2da0 h PRO 111 N 0.00 0.33 -6.18 1.61 0.13 -2.05 -3.41 132.00 122.43 2da0 h PRO 111 Ca 0.00 -0.18 -0.58 0.00 -0.87 0.00 0.00 66.00 64.38 2da0 h PRO 111 Cb 0.00 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.04 2da0 h PRO 111 CO 0.00 0.72 0.80 -1.12 -0.23 0.00 0.00 178.00 178.18 2da0 s SER 112 N -6.88 6.34 -1.16 1.44 0.01 -1.26 -4.94 113.70 107.26 2da0 s SER 112 Ca -0.05 -0.24 -0.23 0.00 1.31 0.00 0.00 55.95 56.74 2da0 s SER 112 Cb 0.13 -2.50 -0.11 0.00 0.21 0.00 0.00 66.02 63.75 2da0 s SER 112 CO 0.79 -1.44 1.96 -0.55 0.41 0.00 0.00 173.24 174.42 2da0 s SER 113 N 3.09 4.80 0.00 2.44 0.15 -1.26 -4.94 113.70 117.98 2da0 s SER 113 Ca 0.35 -1.52 0.00 0.00 0.70 0.00 0.00 55.95 55.48 2da0 s SER 113 Cb -0.10 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 2da0 s SER 113 CO 0.20 -3.32 0.00 0.61 1.20 0.00 0.00 173.24 171.94