#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 1.22 -0.15 1.61 1.04 -1.26 -5.16 113.70 111.01 2da0 s SER 2 Ca 0.00 -1.58 -0.01 0.00 0.48 0.00 0.00 55.95 54.83 2da0 s SER 2 Cb 0.00 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 2da0 s SER 2 CO 0.00 -0.94 -0.10 -0.55 0.98 0.00 0.00 173.24 172.64 2da0 s SER 3 N -3.32 4.22 0.00 7.02 0.15 -1.26 -4.98 113.70 115.54 2da0 s SER 3 Ca 0.38 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.74 2da0 s SER 3 Cb 0.05 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.69 2da0 s SER 3 CO 0.19 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.39 2da0 n GLY 4 N 3.69 0.26 3.63 9.45 0.00 -1.26 -5.09 105.19 115.86 2da0 n GLY 4 Ca -0.18 0.20 -0.51 0.00 0.00 0.00 0.00 46.02 45.53 2da0 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2da0 n SER 5 N 0.00 2.87 -4.18 1.61 2.88 -1.26 -4.87 113.62 110.67 2da0 n SER 5 Ca 0.00 0.81 -0.36 0.00 -1.33 0.00 0.00 58.87 57.99 2da0 n SER 5 Cb 0.00 -1.30 0.05 0.00 -0.75 0.00 0.00 64.21 62.21 2da0 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2da0 n SER 6 N 7.47 -4.25 -2.68 -3.46 2.88 -1.26 -4.98 113.62 107.34 2da0 n SER 6 Ca 0.29 0.37 -0.05 0.00 -1.33 0.00 0.00 58.87 58.14 2da0 n SER 6 Cb 0.25 -0.91 0.07 0.00 -0.75 0.00 0.00 64.21 62.87 2da0 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2da0 n GLY 7 N 2.73 -1.47 0.38 0.46 0.00 -1.26 -5.04 105.19 100.99 2da0 n GLY 7 Ca 0.03 0.87 -0.04 0.00 0.00 0.00 0.00 46.02 46.88 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 3.30 -1.16 0.00 1.61 -1.99 -1.93 -3.46 116.97 113.33 2da0 h TYR 8 Ca -0.22 0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.61 2da0 h TYR 8 Cb 1.18 0.62 0.00 0.00 2.00 0.00 0.00 36.73 40.53 2da0 h TYR 8 CO -0.10 -0.40 0.00 0.41 -0.00 0.00 0.00 178.16 178.07 2da0 n GLY 9 N -1.43 3.75 0.12 3.88 0.00 -1.26 -5.02 105.19 105.23 2da0 n GLY 9 Ca 0.06 -1.00 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 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 1.68 -4.78 1.61 3.41 -1.26 -3.71 113.62 110.57 2da0 n SER 10 Ca 0.00 0.13 -0.33 0.00 -0.26 0.00 0.00 58.87 58.41 2da0 n SER 10 Cb 0.00 -0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 63.44 2da0 n SER 10 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2da0 s GLU 11 N -2.55 3.09 -0.30 4.33 2.12 -1.26 -4.31 118.70 119.83 2da0 s GLU 11 Ca -0.22 -0.45 -0.15 0.00 0.36 0.00 0.00 54.97 54.51 2da0 s GLU 11 Cb 0.07 -2.88 0.16 0.00 0.26 0.00 0.00 34.13 31.74 2da0 s GLU 11 CO 0.74 0.66 0.98 0.21 -0.54 0.00 0.00 175.26 177.31 2da0 s LYS 12 N -1.62 0.32 -0.11 4.30 2.20 0.27 -5.00 119.74 120.11 2da0 s LYS 12 Ca 0.22 0.73 0.00 0.00 -0.36 0.00 0.00 55.97 56.55 2da0 s LYS 12 Cb -0.12 0.34 -0.02 0.00 -1.51 0.00 0.00 37.83 36.52 2da0 s LYS 12 CO 0.12 -0.10 -0.11 0.21 -0.36 0.00 0.00 175.35 175.11 2da0 s LYS 13 N 2.11 3.19 0.00 4.03 2.20 -1.26 -0.87 119.74 129.14 2da0 s LYS 13 Ca -0.05 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 54.91 2da0 s LYS 13 Cb -0.05 -2.62 0.00 0.00 -1.51 0.00 0.00 37.83 33.65 2da0 s LYS 13 CO -0.17 0.34 0.00 0.41 -0.36 0.00 0.00 175.35 175.58 2da0 n GLY 14 N 3.16 1.59 3.05 5.54 0.00 -0.25 -5.00 105.19 113.29 2da0 n GLY 14 Ca -0.18 0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 1.13 0.54 0.00 1.61 1.51 -1.26 -0.88 117.35 120.01 2da0 s TYR 15 Ca 0.00 -0.58 -0.10 0.00 -1.01 0.00 0.00 57.07 55.38 2da0 s TYR 15 Cb 0.00 -0.34 0.01 0.00 -0.11 0.00 0.00 41.96 41.52 2da0 s TYR 15 CO 0.00 -0.14 0.20 -0.51 -1.11 0.00 0.00 175.55 173.98 2da0 s LEU 16 N -1.76 1.32 0.02 -1.29 1.43 0.55 -4.81 118.68 114.15 2da0 s LEU 16 Ca -0.09 -0.14 -0.26 0.00 -1.03 0.00 0.00 54.13 52.61 2da0 s LEU 16 Cb -0.07 0.89 -0.05 0.00 0.03 0.00 0.00 46.19 46.98 2da0 s LEU 16 CO -0.01 -0.42 0.79 -0.76 0.23 0.00 0.00 176.35 176.18 2da0 s LEU 17 N -1.46 4.41 -0.03 1.79 1.43 -0.35 0.34 118.68 124.80 2da0 s LEU 17 Ca -0.13 1.44 0.01 0.00 -1.03 0.00 0.00 54.13 54.42 2da0 s LEU 17 Cb -0.06 -3.26 0.02 0.00 0.03 0.00 0.00 46.19 42.92 2da0 s LEU 17 CO 0.02 -0.05 -0.02 -0.75 0.23 0.00 0.00 176.35 175.78 2da0 s LYS 18 N 0.26 0.50 0.28 1.70 2.20 -0.96 -0.71 119.74 123.00 2da0 s LYS 18 Ca 0.40 0.00 -0.26 0.00 -0.36 0.00 0.00 55.97 55.76 2da0 s LYS 18 Cb -0.20 -0.61 -0.16 0.00 -1.51 0.00 0.00 37.83 35.35 2da0 s LYS 18 CO 0.23 -0.11 0.51 1.17 -0.36 0.00 0.00 175.35 176.79 2da0 n LYS 19 N 4.08 0.27 -2.49 4.03 3.00 -1.24 -3.21 118.16 122.61 2da0 n LYS 19 Ca -0.26 0.10 -0.23 0.00 -0.00 0.00 0.00 58.31 57.91 2da0 n LYS 19 Cb 0.51 -1.19 0.07 0.00 0.00 0.00 0.00 35.03 34.42 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 -0.93 4.81 0.35 3.14 0.15 -0.47 -4.88 113.70 115.87 2da0 s SER 20 Ca 0.62 0.00 -0.13 0.00 0.70 0.00 0.00 55.95 57.14 2da0 s SER 20 Cb -0.80 -0.65 -0.11 0.00 -1.71 0.00 0.00 66.02 62.75 2da0 s SER 20 CO 0.58 -1.53 -0.07 0.47 1.20 0.00 0.00 173.24 173.90 2da0 n ASP 21 N -2.68 -2.57 -0.26 5.45 9.92 -1.24 -4.47 116.55 120.70 2da0 n ASP 21 Ca 0.10 0.50 0.05 0.00 -0.53 0.00 0.00 54.79 54.91 2da0 n ASP 21 Cb 0.60 -0.62 0.15 0.00 -0.64 0.00 0.00 41.12 40.61 2da0 n ASP 21 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2da0 h GLY 22 N 0.03 0.82 -1.03 0.44 0.00 -2.01 0.14 103.07 101.46 2da0 h GLY 22 Ca -0.29 0.12 0.42 0.00 0.00 0.00 0.00 47.33 47.58 2da0 h GLY 22 CO 0.31 -0.29 0.68 -2.22 0.00 0.00 0.00 176.54 175.03 2da0 h ILE 23 N 0.09 0.07 -3.24 2.60 2.04 -2.05 -3.33 117.51 113.70 2da0 h ILE 23 Ca 0.41 -0.02 -0.44 0.00 1.00 0.00 0.00 64.86 65.80 2da0 h ILE 23 Cb 0.71 -0.00 -0.39 0.00 -0.74 0.00 0.00 36.82 36.40 2da0 h ILE 23 CO -0.67 0.01 -0.76 -0.13 0.00 0.00 0.00 178.15 176.60 2da0 s ARG 24 N -5.44 0.39 -0.13 2.37 1.81 0.50 -5.01 118.95 113.44 2da0 s ARG 24 Ca -0.09 0.04 0.00 0.00 -1.72 0.00 0.00 55.73 53.97 2da0 s ARG 24 Cb 0.32 -1.21 0.13 0.00 -0.45 0.00 0.00 34.95 33.75 2da0 s ARG 24 CO 0.80 -0.42 1.55 0.36 -0.68 0.00 0.00 175.30 176.91 2da0 n LYS 25 N 5.18 1.34 -2.67 3.54 2.85 -1.25 -3.69 118.16 123.45 2da0 n LYS 25 Ca -0.06 -0.73 -0.40 0.00 -1.05 0.00 0.00 58.31 56.07 2da0 n LYS 25 Cb 0.49 -1.29 -0.06 0.00 -0.65 0.00 0.00 35.03 33.53 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 -0.92 3.92 -0.23 0.58 -7.23 -1.26 -4.65 120.40 110.60 2da0 s VAL 26 Ca 0.14 1.87 -0.27 0.00 -1.81 0.00 0.00 61.98 61.92 2da0 s VAL 26 Cb 0.12 -4.17 0.00 0.00 0.56 0.00 0.00 36.38 32.89 2da0 s VAL 26 CO 0.01 0.40 0.93 0.26 -0.31 0.00 0.00 175.10 176.40 2da0 s TRP 27 N -1.24 3.33 -0.13 2.82 0.52 -1.26 -1.37 118.94 121.60 2da0 s TRP 27 Ca 0.44 1.30 0.02 0.00 0.02 0.00 0.00 56.10 57.87 2da0 s TRP 27 Cb -0.27 -3.16 0.02 0.00 -1.15 0.00 0.00 33.47 28.91 2da0 s TRP 27 CO 0.33 -0.44 -0.17 -0.65 0.02 0.00 0.00 176.95 176.04 2da0 s GLN 28 N 3.00 2.51 0.36 4.98 -1.52 -1.20 -4.91 119.66 122.88 2da0 s GLN 28 Ca 0.39 -0.66 -0.28 0.00 -1.95 0.00 0.00 55.36 52.86 2da0 s GLN 28 Cb -0.15 -2.13 -0.11 0.00 -0.22 0.00 0.00 33.01 30.40 2da0 s GLN 28 CO 0.07 -0.09 1.49 -0.98 -0.25 0.00 0.00 175.29 175.53 2da0 s ARG 29 N 1.05 4.13 0.07 2.91 3.03 -1.26 -2.28 118.95 126.61 2da0 s ARG 29 Ca -0.04 2.55 0.02 0.00 2.03 0.00 0.00 55.73 60.29 2da0 s ARG 29 Cb -0.15 -2.99 -0.03 0.00 -1.03 0.00 0.00 34.95 30.75 2da0 s ARG 29 CO -0.04 -0.53 -0.07 0.50 -1.13 0.00 0.00 175.30 174.03 2da0 s ARG 30 N -1.75 0.70 -0.53 3.89 6.06 0.15 -4.93 118.95 122.54 2da0 s ARG 30 Ca 0.55 -1.09 -0.28 0.00 -2.50 0.00 0.00 55.73 52.41 2da0 s ARG 30 Cb -0.46 -0.23 0.01 0.00 0.06 0.00 0.00 34.95 34.33 2da0 s ARG 30 CO 0.59 0.01 1.50 0.21 -2.50 0.00 0.00 175.30 175.12 2da0 s LYS 31 N -2.88 3.25 0.28 5.12 2.36 -1.26 -0.33 119.74 126.28 2da0 s LYS 31 Ca 0.02 0.61 0.08 0.00 -2.55 0.00 0.00 55.97 54.13 2da0 s LYS 31 Cb -0.01 -4.15 -0.04 0.00 -1.05 0.00 0.00 37.83 32.58 2da0 s LYS 31 CO -0.03 -1.99 0.13 0.00 1.55 0.00 0.00 175.35 175.01 2da0 s SER 33 N -3.80 -0.54 -0.05 0.00 0.15 -0.82 -1.09 113.70 107.55 2da0 s SER 33 Ca 0.34 0.44 -0.02 0.00 0.70 0.00 0.00 55.95 57.41 2da0 s SER 33 Cb -0.06 0.50 0.04 0.00 -1.71 0.00 0.00 66.02 64.79 2da0 s SER 33 CO 0.23 -0.65 0.09 -0.69 1.20 0.00 0.00 173.24 173.42 2da0 s VAL 34 N -1.75 -0.13 -0.28 4.45 1.01 -0.05 -0.90 120.40 122.75 2da0 s VAL 34 Ca -0.09 0.33 -0.20 0.00 0.00 0.00 0.00 61.98 62.02 2da0 s VAL 34 Cb -0.01 -0.19 0.08 0.00 0.00 0.00 0.00 36.38 36.26 2da0 s VAL 34 CO 0.04 0.14 0.73 -0.75 0.00 0.00 0.00 175.10 175.26 2da0 s LYS 35 N 1.85 0.75 -1.56 2.72 2.36 -0.54 -0.56 119.74 124.76 2da0 s LYS 35 Ca -0.00 1.08 -0.02 0.00 -2.55 0.00 0.00 55.97 54.47 2da0 s LYS 35 Cb -0.12 0.26 0.00 0.00 -1.05 0.00 0.00 37.83 36.92 2da0 s LYS 35 CO -0.04 -0.12 0.32 0.09 1.55 0.00 0.00 175.35 177.15 2da0 n ASN 36 N 3.48 -5.76 -1.56 1.43 3.02 -1.26 -1.84 115.26 112.76 2da0 n ASN 36 Ca -0.17 -0.16 -0.12 0.00 -0.03 0.00 0.00 54.58 54.10 2da0 n ASN 36 Cb 0.57 -4.68 0.00 0.00 -0.61 0.00 0.00 39.78 35.07 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 -1.28 -0.09 2.95 7.41 0.00 -1.26 -4.98 105.19 107.93 2da0 n GLY 37 Ca -0.16 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.72 0.63 -0.26 -0.61 -1.09 -0.77 -2.62 121.20 113.77 2da0 s ILE 38 Ca 0.07 -0.24 -0.08 0.00 -2.23 0.00 0.00 60.65 58.17 2da0 s ILE 38 Cb -0.03 -0.60 -0.03 0.00 -1.58 0.00 0.00 42.46 40.22 2da0 s ILE 38 CO 0.08 0.22 0.09 -0.22 -1.23 0.00 0.00 174.94 173.89 2da0 s LEU 39 N 0.51 3.58 -0.16 2.97 2.96 -0.76 -1.47 118.68 126.31 2da0 s LEU 39 Ca -0.07 -0.23 -0.08 0.00 -0.22 0.00 0.00 54.13 53.52 2da0 s LEU 39 Cb -0.11 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 2da0 s LEU 39 CO 0.00 -0.06 0.10 -0.89 -1.32 0.00 0.00 176.35 174.19 2da0 s THR 40 N 1.63 5.19 -0.25 3.68 2.01 -0.08 -0.16 115.64 127.65 2da0 s THR 40 Ca 0.06 0.10 -0.01 0.00 0.31 0.00 0.00 61.69 62.16 2da0 s THR 40 Cb -0.15 -3.32 0.07 0.00 0.01 0.00 0.00 72.50 69.11 2da0 s THR 40 CO 0.05 0.51 0.03 -0.63 -0.69 0.00 0.00 174.62 173.88 2da0 s ILE 41 N -0.11 1.06 -0.52 1.82 1.01 -0.49 -1.94 121.20 122.04 2da0 s ILE 41 Ca 0.09 -1.14 -0.28 0.00 0.00 0.00 0.00 60.65 59.32 2da0 s ILE 41 Cb -0.12 -1.57 0.01 0.00 0.01 0.00 0.00 42.46 40.79 2da0 s ILE 41 CO 0.00 -0.35 1.46 -0.55 0.00 0.00 0.00 174.94 175.50 2da0 s SER 42 N 1.58 6.12 -0.21 3.58 0.15 -1.16 -0.75 113.70 123.01 2da0 s SER 42 Ca 0.02 0.47 -0.30 0.00 0.70 0.00 0.00 55.95 56.84 2da0 s SER 42 Cb -0.18 -2.54 0.15 0.00 -1.71 0.00 0.00 66.02 61.74 2da0 s SER 42 CO -0.13 -1.68 1.14 -2.28 1.20 0.00 0.00 173.24 171.49 2da0 s HIS 43 N 6.11 -0.24 -1.13 3.44 5.04 -1.26 -4.62 115.29 122.63 2da0 s HIS 43 Ca 0.57 0.42 -0.02 0.00 -1.54 0.00 0.00 55.06 54.49 2da0 s HIS 43 Cb -0.12 0.47 0.02 0.00 0.04 0.00 0.00 32.58 32.98 2da0 s HIS 43 CO 0.27 -0.22 0.05 0.00 -2.34 0.00 0.00 174.74 172.50 2da0 n ALA 44 N 0.67 -1.62 -1.96 1.58 0.00 -1.26 -4.66 120.51 113.26 2da0 n ALA 44 Ca -0.06 -0.28 -0.28 0.00 0.00 0.00 0.00 53.44 52.81 2da0 n ALA 44 Cb 0.58 -0.70 -0.05 0.00 0.00 0.00 0.00 19.45 19.29 2da0 n ALA 44 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2da0 s THR 45 N -3.83 3.35 0.03 0.00 -4.23 -1.26 -4.84 115.64 104.87 2da0 s THR 45 Ca 0.07 -0.18 -0.21 0.00 -1.18 0.00 0.00 61.69 60.19 2da0 s THR 45 Cb -0.04 -3.82 -0.11 0.00 1.34 0.00 0.00 72.50 69.87 2da0 s THR 45 CO 0.71 -0.78 1.31 0.77 -0.54 0.00 0.00 174.62 176.10 2da0 h SER 46 N 12.65 -0.66 -0.35 3.99 4.64 -1.84 -2.84 113.55 129.14 2da0 h SER 46 Ca -0.01 0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 61.16 2da0 h SER 46 Cb 1.05 0.18 -0.11 0.00 -0.31 0.00 0.00 62.40 63.21 2da0 h SER 46 CO 1.18 -0.45 0.23 0.59 -0.87 0.00 0.00 176.83 177.52 2da0 n ASN 47 N -4.03 3.26 -3.02 4.97 4.13 -1.26 -4.80 115.26 114.50 2da0 n ASN 47 Ca -0.09 -2.57 -0.20 0.00 1.68 0.00 0.00 54.58 53.40 2da0 n ASN 47 Cb 0.29 -0.62 0.06 0.00 -1.54 0.00 0.00 39.78 37.97 2da0 n ASN 47 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2da0 n ARG 48 N -0.08 -6.18 -3.84 3.52 5.12 -1.07 -5.01 116.66 109.12 2da0 n ARG 48 Ca 0.21 0.74 -0.12 0.00 -1.93 0.00 0.00 57.85 56.75 2da0 n ARG 48 Cb 0.92 -5.42 -0.12 0.00 -1.16 0.00 0.00 32.46 26.68 2da0 n ARG 48 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2da0 s GLN 49 N -5.97 0.23 1.03 5.56 -0.21 -1.26 -5.06 119.66 113.98 2da0 s GLN 49 Ca 0.44 0.04 -0.13 0.00 0.02 0.00 0.00 55.36 55.73 2da0 s GLN 49 Cb -0.19 0.10 0.21 0.00 1.00 0.00 0.00 33.01 34.12 2da0 s GLN 49 CO 0.55 -0.04 1.09 -1.25 -2.12 0.00 0.00 175.29 173.52 2da0 s PRO 50 N -0.28 0.17 -0.49 2.91 0.04 -1.26 -4.39 135.00 131.70 2da0 s PRO 50 Ca -0.04 0.44 -0.18 0.00 0.04 0.00 0.00 61.00 61.26 2da0 s PRO 50 Cb -0.03 -1.71 0.06 0.00 0.04 0.00 0.00 34.50 32.86 2da0 s PRO 50 CO 0.00 -2.89 0.57 0.00 0.04 0.00 0.00 177.00 174.73 2da0 s ALA 51 N -2.97 3.42 -0.18 8.56 0.00 0.07 -4.85 121.76 125.82 2da0 s ALA 51 Ca 0.66 -1.77 -0.18 0.00 0.00 0.00 0.00 51.96 50.68 2da0 s ALA 51 Cb -0.18 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 2da0 s ALA 51 CO 0.58 -1.92 0.48 0.15 0.00 0.00 0.00 175.76 175.04 2da0 s LYS 52 N 2.43 4.22 -0.06 0.00 1.02 -1.26 -1.39 119.74 124.71 2da0 s LYS 52 Ca 0.13 0.37 -0.00 0.00 0.02 0.00 0.00 55.97 56.49 2da0 s LYS 52 Cb -0.20 -3.52 -0.03 0.00 -0.52 0.00 0.00 37.83 33.56 2da0 s LYS 52 CO 0.11 -0.04 -0.02 -0.51 -0.92 0.00 0.00 175.35 173.97 2da0 s LEU 53 N 1.29 3.43 -0.40 3.17 1.43 0.77 -4.93 118.68 123.43 2da0 s LEU 53 Ca 0.23 0.06 -0.24 0.00 -1.03 0.00 0.00 54.13 53.15 2da0 s LEU 53 Cb -0.15 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.27 2da0 s LEU 53 CO 0.09 0.35 0.83 0.21 0.23 0.00 0.00 176.35 178.07 2da0 s ASN 54 N -1.00 6.53 0.00 2.29 2.47 -1.26 -1.82 114.94 122.15 2da0 s ASN 54 Ca 0.14 0.24 0.24 0.00 0.42 0.00 0.00 52.86 53.90 2da0 s ASN 54 Cb -0.11 -2.42 1.08 0.00 -1.45 0.00 0.00 41.25 38.35 2da0 s ASN 54 CO 0.04 -0.86 1.77 0.18 -3.72 0.00 0.00 177.10 174.51 2da0 n LEU 55 N 6.69 0.00 0.16 3.21 4.32 -1.08 -1.68 117.00 128.63 2da0 n LEU 55 Ca 0.04 0.43 0.00 0.00 -0.02 0.00 0.00 56.01 56.46 2da0 n LEU 55 Cb 0.48 -0.43 0.25 0.00 -1.62 0.00 0.00 43.42 42.10 2da0 n LEU 55 CO 0.58 -0.08 0.59 -0.07 -1.22 0.00 0.00 177.39 177.18 2da0 h LEU 56 N 0.00 0.00 0.00 2.23 3.38 -1.91 -3.33 115.31 115.69 2da0 h LEU 56 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 2da0 h LEU 56 Cb 0.35 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2da0 h LEU 56 CO 0.00 0.52 -1.65 1.07 0.09 0.00 0.00 178.44 178.47 2da0 n THR 57 N -3.92 0.65 -0.61 0.22 5.66 -1.17 -5.03 114.28 110.07 2da0 n THR 57 Ca -0.01 -0.34 -0.30 0.00 -3.05 0.00 0.00 64.05 60.34 2da0 n THR 57 Cb 0.53 -0.82 0.20 0.00 -1.55 0.00 0.00 70.33 68.69 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 -4.33 1.28 -0.53 0.00 0.74 -0.60 -4.90 119.66 111.32 2da0 s GLN 59 Ca 0.65 -0.31 -0.17 0.00 0.05 0.00 0.00 55.36 55.58 2da0 s GLN 59 Cb -0.23 -1.13 0.09 0.00 1.10 0.00 0.00 33.01 32.85 2da0 s GLN 59 CO 0.62 0.03 0.55 0.08 -0.55 0.00 0.00 175.29 176.02 2da0 s VAL 60 N 0.59 5.05 -0.63 1.34 1.01 -1.26 -0.65 120.40 125.84 2da0 s VAL 60 Ca -0.11 -1.05 -0.12 0.00 0.00 0.00 0.00 61.98 60.71 2da0 s VAL 60 Cb -0.14 -4.31 0.16 0.00 0.00 0.00 0.00 36.38 32.10 2da0 s VAL 60 CO 0.02 -0.84 0.55 -0.75 0.00 0.00 0.00 175.10 174.08 2da0 s LYS 61 N 2.10 3.03 0.18 2.72 2.20 0.98 -4.94 119.74 126.00 2da0 s LYS 61 Ca 0.08 -2.08 -0.30 0.00 -0.36 0.00 0.00 55.97 53.31 2da0 s LYS 61 Cb -0.25 -4.19 -0.08 0.00 -1.51 0.00 0.00 37.83 31.80 2da0 s LYS 61 CO 0.07 -1.27 1.32 -1.25 -0.36 0.00 0.00 175.35 173.86 2da0 s PRO 62 N 0.86 4.38 -0.32 4.03 0.04 -1.26 -0.16 135.00 142.56 2da0 s PRO 62 Ca 0.10 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.90 2da0 s PRO 62 Cb -0.21 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.12 2da0 s PRO 62 CO -0.03 -0.28 1.30 -0.80 0.04 0.00 0.00 177.00 177.24 2da0 s ASN 63 N 0.48 6.64 -0.11 6.66 0.02 -0.07 -4.90 114.94 123.66 2da0 s ASN 63 Ca 0.58 1.14 -0.23 0.00 -1.02 0.00 0.00 52.86 53.33 2da0 s ASN 63 Cb -0.36 -2.54 -0.27 0.00 0.02 0.00 0.00 41.25 38.09 2da0 s ASN 63 CO 0.37 -1.12 0.71 0.00 0.02 0.00 0.00 177.10 177.08 2da0 h ALA 64 N 9.40 0.03 -1.03 0.60 0.00 -1.93 -3.34 119.26 123.00 2da0 h ALA 64 Ca -0.26 -0.77 0.34 0.00 0.00 0.00 0.00 54.91 54.22 2da0 h ALA 64 Cb 1.10 0.21 -0.15 0.00 0.00 0.00 0.00 17.79 18.95 2da0 h ALA 64 CO 1.04 0.38 0.59 0.93 0.00 0.00 0.00 179.25 182.19 2da0 h GLU 65 N -0.64 0.27 -5.43 0.00 5.08 -1.99 -3.40 114.58 108.46 2da0 h GLU 65 Ca -0.15 -0.02 -0.42 0.00 -1.00 0.00 0.00 59.36 57.78 2da0 h GLU 65 Cb 1.41 -0.06 -0.16 0.00 0.50 0.00 0.00 28.75 30.44 2da0 h GLU 65 CO 0.04 0.18 -0.74 -0.51 -1.00 0.00 0.00 179.01 176.98 2da0 s ASP 66 N -4.84 2.19 0.29 1.42 1.11 -1.25 -5.16 116.67 110.42 2da0 s ASP 66 Ca -0.10 -0.92 -0.01 0.00 0.18 0.00 0.00 52.55 51.70 2da0 s ASP 66 Cb 0.30 -0.08 -0.04 0.00 1.07 0.00 0.00 42.92 44.17 2da0 s ASP 66 CO 0.79 -0.18 0.50 -0.75 1.18 0.00 0.00 175.17 176.71 2da0 s LYS 67 N -3.21 3.53 -1.04 8.23 2.47 -1.26 -4.51 119.74 123.96 2da0 s LYS 67 Ca 0.15 -0.26 -0.02 0.00 -1.56 0.00 0.00 55.97 54.28 2da0 s LYS 67 Cb -0.02 -2.71 -0.03 0.00 -1.46 0.00 0.00 37.83 33.61 2da0 s LYS 67 CO 0.04 0.24 0.88 1.63 0.16 0.00 0.00 175.35 178.30 2da0 n LYS 68 N -1.25 -4.35 -3.63 4.03 5.02 -1.26 -5.00 118.16 111.71 2da0 n LYS 68 Ca -0.04 0.78 -0.12 0.00 -2.02 0.00 0.00 58.31 56.91 2da0 n LYS 68 Cb 0.55 -5.52 -0.07 0.00 -0.02 0.00 0.00 35.03 29.97 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 -3.86 -0.71 -0.08 4.39 0.01 -1.26 -3.37 113.70 108.82 2da0 s SER 69 Ca 0.18 1.35 -0.22 0.00 1.31 0.00 0.00 55.95 58.57 2da0 s SER 69 Cb -0.02 1.36 0.05 0.00 0.21 0.00 0.00 66.02 67.62 2da0 s SER 69 CO 0.67 -0.23 0.52 0.72 0.41 0.00 0.00 173.24 175.33 2da0 s PHE 70 N 0.48 -0.48 -0.02 2.43 -0.12 -1.05 -0.89 117.98 118.33 2da0 s PHE 70 Ca -0.00 0.93 0.04 0.00 -0.05 0.00 0.00 56.93 57.84 2da0 s PHE 70 Cb -0.05 0.25 -0.03 0.00 -0.63 0.00 0.00 43.02 42.56 2da0 s PHE 70 CO -0.02 -0.45 -0.13 -0.51 -0.05 0.00 0.00 175.22 174.05 2da0 s ASP 71 N -0.86 4.12 -0.39 1.98 1.11 0.77 -2.52 116.67 120.88 2da0 s ASP 71 Ca -0.09 -0.24 -0.03 0.00 0.18 0.00 0.00 52.55 52.38 2da0 s ASP 71 Cb -0.03 -0.85 0.10 0.00 1.07 0.00 0.00 42.92 43.21 2da0 s ASP 71 CO 0.06 0.31 0.17 -0.22 1.18 0.00 0.00 175.17 176.67 2da0 s LEU 72 N -1.06 5.04 -0.81 1.23 2.96 -1.17 -0.01 118.68 124.85 2da0 s LEU 72 Ca 0.13 -1.90 -0.24 0.00 -0.22 0.00 0.00 54.13 51.91 2da0 s LEU 72 Cb -0.11 -1.82 0.06 0.00 0.50 0.00 0.00 46.19 44.82 2da0 s LEU 72 CO 0.03 -0.50 1.23 -0.63 -1.32 0.00 0.00 176.35 175.16 2da0 s ILE 73 N 1.16 4.03 0.43 6.68 1.01 0.17 -1.11 121.20 133.58 2da0 s ILE 73 Ca 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.38 2da0 s ILE 73 Cb -0.22 -4.88 0.09 0.00 0.01 0.00 0.00 42.46 37.46 2da0 s ILE 73 CO -0.04 -1.74 0.59 -1.54 0.00 0.00 0.00 174.94 172.21 2da0 n SER 74 N 8.52 0.52 -4.42 3.58 3.41 0.46 -1.56 113.62 124.13 2da0 n SER 74 Ca 0.11 -1.51 -0.47 0.00 -0.26 0.00 0.00 58.87 56.75 2da0 n SER 74 Cb 0.49 -0.41 -0.14 0.00 -0.26 0.00 0.00 64.21 63.89 2da0 n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2da0 n HIS 75 N -2.43 0.74 -4.15 7.33 1.44 -1.26 -0.19 115.22 116.71 2da0 n HIS 75 Ca 0.09 0.50 -0.37 0.00 -2.01 0.00 0.00 57.72 55.93 2da0 n HIS 75 Cb 0.32 -2.35 -0.07 0.00 0.12 0.00 0.00 29.99 28.00 2da0 n HIS 75 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 2da0 n ASN 76 N 9.61 -1.60 -3.73 4.39 5.15 -1.26 -4.87 115.26 122.95 2da0 n ASN 76 Ca 0.63 -1.06 -0.12 0.00 -0.60 0.00 0.00 54.58 53.42 2da0 n ASN 76 Cb 0.01 -1.40 -0.11 0.00 -0.53 0.00 0.00 39.78 37.75 2da0 n ASN 76 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2da0 s ARG 77 N -6.48 0.36 -0.16 1.20 3.52 0.73 -5.15 118.95 112.98 2da0 s ARG 77 Ca 0.72 0.58 -0.07 0.00 -0.13 0.00 0.00 55.73 56.83 2da0 s ARG 77 Cb -0.42 0.07 -0.04 0.00 -1.56 0.00 0.00 34.95 33.00 2da0 s ARG 77 CO 0.89 -0.10 0.07 0.99 -0.81 0.00 0.00 175.30 176.33 2da0 s THR 78 N 0.75 4.88 0.29 4.11 2.01 -1.26 0.17 115.64 126.59 2da0 s THR 78 Ca -0.05 -0.01 0.09 0.00 0.31 0.00 0.00 61.69 62.03 2da0 s THR 78 Cb -0.06 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 2da0 s THR 78 CO -0.05 0.51 0.03 -0.31 -0.69 0.00 0.00 174.62 174.11 2da0 s TYR 79 N -0.06 2.68 -0.15 4.92 1.51 -0.27 -4.95 117.35 121.03 2da0 s TYR 79 Ca 0.07 -0.29 0.01 0.00 -1.01 0.00 0.00 57.07 55.86 2da0 s TYR 79 Cb -0.12 -1.33 0.01 0.00 -0.11 0.00 0.00 41.96 40.40 2da0 s TYR 79 CO 0.01 0.54 -0.19 -1.01 -1.11 0.00 0.00 175.55 173.79 2da0 s HIS 80 N -2.37 2.72 0.03 2.71 3.76 -1.26 -3.06 115.29 117.81 2da0 s HIS 80 Ca 0.33 -1.22 0.01 0.00 -0.15 0.00 0.00 55.06 54.03 2da0 s HIS 80 Cb -0.05 -1.85 -0.02 0.00 1.11 0.00 0.00 32.58 31.77 2da0 s HIS 80 CO 0.20 -0.56 -0.05 -0.06 -0.85 0.00 0.00 174.74 173.43 2da0 s PHE 81 N 0.83 0.40 -0.13 1.40 0.08 -1.05 -3.60 117.98 115.91 2da0 s PHE 81 Ca -0.06 -0.52 -0.12 0.00 0.12 0.00 0.00 56.93 56.34 2da0 s PHE 81 Cb -0.15 -0.26 0.03 0.00 -0.57 0.00 0.00 43.02 42.07 2da0 s PHE 81 CO -0.01 -0.16 0.36 -1.14 -0.10 0.00 0.00 175.22 174.17 2da0 s GLN 82 N -1.52 0.42 0.35 0.44 0.74 0.11 -2.53 119.66 117.67 2da0 s GLN 82 Ca -0.14 0.49 -0.13 0.00 0.05 0.00 0.00 55.36 55.64 2da0 s GLN 82 Cb -0.10 0.20 -0.08 0.00 1.10 0.00 0.00 33.01 34.14 2da0 s GLN 82 CO -0.01 -0.05 0.74 0.00 -0.55 0.00 0.00 175.29 175.42 2da0 s ALA 83 N 0.18 3.35 0.12 1.58 0.00 -1.22 -1.22 121.76 124.56 2da0 s ALA 83 Ca -0.00 -0.09 0.07 0.00 0.00 0.00 0.00 51.96 51.94 2da0 s ALA 83 Cb -0.02 -2.72 -0.19 0.00 0.00 0.00 0.00 23.12 20.19 2da0 s ALA 83 CO 0.01 0.19 1.29 0.93 0.00 0.00 0.00 175.76 178.18 2da0 h GLU 84 N 1.83 0.01 -4.61 0.00 5.08 -1.90 -3.47 114.58 111.52 2da0 h GLU 84 Ca -0.47 -0.01 -0.25 0.00 -1.00 0.00 0.00 59.36 57.62 2da0 h GLU 84 Cb 1.18 0.01 -0.15 0.00 0.50 0.00 0.00 28.75 30.29 2da0 h GLU 84 CO 0.65 0.99 -0.61 -0.51 -1.00 0.00 0.00 179.01 178.53 2da0 s ASP 85 N -6.73 0.23 0.11 1.42 1.01 -1.26 -5.05 116.67 106.40 2da0 s ASP 85 Ca 0.01 -1.41 -0.16 0.00 0.71 0.00 0.00 52.55 51.70 2da0 s ASP 85 Cb 0.10 0.39 -0.03 0.00 1.01 0.00 0.00 42.92 44.38 2da0 s ASP 85 CO 0.82 -0.85 1.57 -0.08 0.21 0.00 0.00 175.17 176.83 2da0 h GLU 86 N 2.60 0.63 -0.61 8.23 4.81 -1.99 -2.57 114.58 125.69 2da0 h GLU 86 Ca -0.35 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 2da0 h GLU 86 Cb 1.25 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 2da0 h GLU 86 CO 0.52 0.73 0.39 1.96 -0.73 0.00 0.00 179.01 181.88 2da0 h GLN 87 N 0.45 0.81 -0.84 1.92 4.20 -2.00 -1.77 115.11 117.88 2da0 h GLN 87 Ca 0.10 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.78 2da0 h GLN 87 Cb 0.44 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 2da0 h GLN 87 CO 0.02 0.55 0.55 0.22 -0.67 0.00 0.00 178.83 179.49 2da0 h ASP 88 N 0.82 0.92 0.70 1.46 3.58 -1.95 -2.04 116.42 119.90 2da0 h ASP 88 Ca 0.22 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.63 2da0 h ASP 88 Cb -0.07 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 40.78 2da0 h ASP 88 CO -0.05 0.64 -0.34 0.22 -2.88 0.00 0.00 179.24 176.84 2da0 h TYR 89 N 1.07 -0.87 -0.85 0.28 3.20 -1.03 0.07 116.97 118.85 2da0 h TYR 89 Ca 0.33 -0.02 0.21 0.00 3.14 0.00 0.00 58.73 62.38 2da0 h TYR 89 Cb -0.03 0.29 -0.15 0.00 1.54 0.00 0.00 36.73 38.38 2da0 h TYR 89 CO -0.02 -0.54 0.01 0.28 -1.64 0.00 0.00 178.16 176.25 2da0 h VAL 90 N -1.09 0.23 0.24 1.81 2.07 -1.28 -1.25 116.25 116.97 2da0 h VAL 90 Ca -0.10 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2da0 h VAL 90 Cb 0.72 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2da0 h VAL 90 CO 0.16 0.01 -0.11 0.00 0.02 0.00 0.00 177.57 177.65 2da0 h ALA 91 N 1.81 -0.82 -0.62 1.67 0.00 -1.33 -2.74 119.26 117.22 2da0 h ALA 91 Ca 0.48 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.38 2da0 h ALA 91 Cb 0.89 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 2da0 h ALA 91 CO -0.76 -0.80 -0.37 0.91 0.00 0.00 0.00 179.25 178.23 2da0 n TRP 92 N -3.08 -0.27 -0.26 0.00 7.02 0.01 0.12 117.44 120.97 2da0 n TRP 92 Ca -0.04 0.78 0.06 0.00 -1.02 0.00 0.00 57.50 57.28 2da0 n TRP 92 Cb 0.13 -0.53 0.19 0.00 -2.42 0.00 0.00 31.31 28.67 2da0 n TRP 92 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 2da0 h ILE 93 N 0.00 0.42 -0.91 -0.99 1.08 -1.33 0.24 117.51 116.02 2da0 h ILE 93 Ca 0.10 -0.07 0.06 0.00 -0.39 0.00 0.00 64.86 64.56 2da0 h ILE 93 Cb 0.26 0.21 -0.06 0.00 -3.07 0.00 0.00 36.82 34.16 2da0 h ILE 93 CO -0.59 0.04 0.58 -1.28 -0.69 0.00 0.00 178.15 176.21 2da0 h SER 94 N 0.19 0.92 0.00 1.72 0.87 0.12 -2.13 113.55 115.25 2da0 h SER 94 Ca 0.43 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 2da0 h SER 94 Cb 0.77 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2da0 h SER 94 CO -0.59 0.59 0.00 0.52 -0.53 0.00 0.00 176.83 176.83 2da0 n VAL 95 N -4.57 0.00 -0.23 2.23 0.31 0.60 -0.39 118.33 116.29 2da0 n VAL 95 Ca 0.13 0.87 0.12 0.00 -0.01 0.00 0.00 64.34 65.45 2da0 n VAL 95 Cb 0.17 -1.84 0.24 0.00 -0.91 0.00 0.00 33.84 31.50 2da0 n VAL 95 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2da0 n LEU 96 N -1.93 -0.02 0.01 7.52 4.77 0.17 0.15 117.00 127.67 2da0 n LEU 96 Ca 0.00 1.14 -0.18 0.00 -0.03 0.00 0.00 56.01 56.95 2da0 n LEU 96 Cb 0.00 -0.44 -0.12 0.00 -2.33 0.00 0.00 43.42 40.53 2da0 n LEU 96 CO 0.00 -1.18 0.23 0.74 -1.33 0.00 0.00 177.39 175.85 2da0 h THR 97 N 0.00 1.48 0.07 -5.08 2.02 -1.47 -3.26 112.91 106.67 2da0 h THR 97 Ca 0.44 -2.17 -0.00 0.00 0.77 0.00 0.00 66.41 65.45 2da0 h THR 97 Cb 0.98 2.79 -0.00 0.00 -1.74 0.00 0.00 68.15 70.17 2da0 h THR 97 CO -0.61 0.62 -0.07 0.78 0.37 0.00 0.00 175.52 176.61 2da0 h ASN 98 N -0.26 -0.20 -0.88 4.18 2.35 0.43 -2.02 115.58 119.19 2da0 h ASN 98 Ca -0.08 0.02 0.26 0.00 -0.55 0.00 0.00 56.30 55.94 2da0 h ASN 98 Cb 1.33 0.07 -0.16 0.00 0.05 0.00 0.00 38.32 39.60 2da0 h ASN 98 CO 0.11 -0.09 0.07 -0.24 -1.65 0.00 0.00 177.43 175.63 2da0 n SER 99 N -2.72 -0.06 0.09 5.81 2.88 0.14 0.69 113.62 120.47 2da0 n SER 99 Ca -0.02 1.49 -0.12 0.00 -1.33 0.00 0.00 58.87 58.89 2da0 n SER 99 Cb 0.06 -0.56 -0.05 0.00 -0.75 0.00 0.00 64.21 62.91 2da0 n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2da0 h LYS 100 N 0.00 -0.34 0.00 -1.46 3.64 -1.51 0.40 116.57 117.29 2da0 h LYS 100 Ca 0.56 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.92 2da0 h LYS 100 Cb 1.20 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 2da0 h LYS 100 CO -0.81 -0.23 -0.17 0.93 -2.27 0.00 0.00 179.45 176.90 2da0 h GLU 101 N -0.36 0.00 0.01 1.90 4.39 0.99 0.10 114.58 121.62 2da0 h GLU 101 Ca 0.03 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.52 2da0 h GLU 101 Cb 0.39 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2da0 h GLU 101 CO -0.12 0.17 -0.92 0.93 -1.16 0.00 0.00 179.01 177.91 2da0 h GLU 102 N 0.00 0.27 0.00 2.33 4.39 0.19 -0.67 114.58 121.10 2da0 h GLU 102 Ca -0.00 -0.31 -0.13 0.00 0.34 0.00 0.00 59.36 59.26 2da0 h GLU 102 Cb 0.32 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 2da0 h GLU 102 CO 0.02 1.02 -0.77 0.00 -1.16 0.00 0.00 179.01 178.12 2da0 h ALA 103 N 0.87 0.63 0.00 3.43 0.00 0.34 -3.27 119.26 121.25 2da0 h ALA 103 Ca -0.06 -0.61 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 2da0 h ALA 103 Cb 1.56 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 2da0 h ALA 103 CO 0.15 0.78 -0.34 -0.07 0.00 0.00 0.00 179.25 179.76 2da0 h LEU 104 N 0.00 0.00 -1.70 0.00 3.38 -0.83 -2.26 115.31 113.90 2da0 h LEU 104 Ca -0.04 -0.33 0.21 0.00 0.09 0.00 0.00 57.88 57.80 2da0 h LEU 104 Cb 1.48 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.20 2da0 h LEU 104 CO 0.07 0.86 0.74 0.00 0.09 0.00 0.00 178.44 180.20 2da0 h THR 105 N -1.00 0.25 0.07 0.22 1.03 -1.28 0.23 112.91 112.44 2da0 h THR 105 Ca -0.06 0.00 -0.36 0.00 -0.01 0.00 0.00 66.41 65.98 2da0 h THR 105 Cb 0.60 0.41 -0.04 0.00 -1.07 0.00 0.00 68.15 68.06 2da0 h THR 105 CO -0.04 0.00 -2.05 1.15 -0.01 0.00 0.00 175.52 174.57 2da0 n MET 106 N -3.61 0.71 -2.28 0.00 0.00 -1.23 -4.92 117.12 105.78 2da0 n MET 106 Ca 0.15 0.23 -0.25 0.00 0.00 0.00 0.00 57.70 57.83 2da0 n MET 106 Cb 0.99 -1.68 0.09 0.00 0.00 0.00 0.00 33.22 32.62 2da0 n MET 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2da0 s ALA 107 N -2.56 3.21 -0.46 3.17 0.00 0.82 -4.92 121.76 121.02 2da0 s ALA 107 Ca -0.21 -1.18 -0.43 0.00 0.00 0.00 0.00 51.96 50.14 2da0 s ALA 107 Cb 0.07 -2.45 -0.18 0.00 0.00 0.00 0.00 23.12 20.56 2da0 s ALA 107 CO 0.75 -1.45 1.96 1.19 0.00 0.00 0.00 175.76 178.21 2da0 n PHE 108 N -2.97 1.47 -3.73 0.00 3.72 -1.26 -4.81 117.46 109.87 2da0 n PHE 108 Ca 0.11 0.80 -0.13 0.00 -0.05 0.00 0.00 57.45 58.17 2da0 n PHE 108 Cb 0.60 -2.32 -0.08 0.00 -0.94 0.00 0.00 39.48 36.75 2da0 n PHE 108 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2da0 s SER 109 N 5.08 -0.21 0.49 4.37 0.15 -1.26 -4.97 113.70 117.35 2da0 s SER 109 Ca 1.13 0.03 -0.20 0.00 0.70 0.00 0.00 55.95 57.60 2da0 s SER 109 Cb -1.38 0.36 -0.11 0.00 -1.71 0.00 0.00 66.02 63.18 2da0 s SER 109 CO 0.68 -0.54 0.53 0.61 1.20 0.00 0.00 173.24 175.72 2da0 n GLY 110 N 0.92 -1.50 3.77 9.45 0.00 -1.26 -4.91 105.19 111.66 2da0 n GLY 110 Ca -0.20 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 2da0 n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2da0 s PRO 111 N -1.81 3.48 -0.09 1.61 0.04 -1.26 -5.06 135.00 131.92 2da0 s PRO 111 Ca 0.65 1.66 -0.18 0.00 0.04 0.00 0.00 61.00 63.18 2da0 s PRO 111 Cb -0.52 -2.13 0.04 0.00 0.04 0.00 0.00 34.50 31.93 2da0 s PRO 111 CO 0.57 -0.75 0.44 -1.54 0.04 0.00 0.00 177.00 175.75 2da0 s SER 112 N -1.64 -0.39 -0.43 6.66 1.04 -1.26 -5.10 113.70 112.57 2da0 s SER 112 Ca 0.70 0.55 -0.33 0.00 0.48 0.00 0.00 55.95 57.35 2da0 s SER 112 Cb -0.25 0.62 -0.12 0.00 0.10 0.00 0.00 66.02 66.37 2da0 s SER 112 CO 0.29 -0.35 2.28 -0.24 0.98 0.00 0.00 173.24 176.20 2da0 n SER 113 N 1.88 1.99 0.00 7.02 2.88 -1.26 -5.29 113.62 120.83 2da0 n SER 113 Ca -0.18 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2da0 n SER 113 Cb 0.57 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 2da0 n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42