#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1um7 n SER 2 N 0.00 -7.99 -3.48 1.61 2.88 -1.26 -5.06 113.62 100.33 1um7 n SER 2 Ca 0.00 1.58 -0.10 0.00 -1.33 0.00 0.00 58.87 59.02 1um7 n SER 2 Cb 0.00 -5.00 -0.02 0.00 -0.75 0.00 0.00 64.21 58.44 1um7 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1um7 s SER 3 N -6.76 -0.43 0.00 -3.46 1.04 -1.26 -5.15 113.70 97.68 1um7 s SER 3 Ca 0.00 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1um7 s SER 3 Cb 0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1um7 s SER 3 CO 0.00 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.10 1um7 n GLY 4 N -0.28 -0.46 0.89 7.32 0.00 -1.26 -5.17 105.19 106.24 1um7 n GLY 4 Ca -0.11 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 45.91 1um7 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1um7 n SER 5 N 0.00 -5.36 -3.89 1.61 2.88 -1.26 -5.04 113.62 102.56 1um7 n SER 5 Ca 0.00 0.59 -0.09 0.00 -1.33 0.00 0.00 58.87 58.03 1um7 n SER 5 Cb 0.00 -2.86 -0.06 0.00 -0.75 0.00 0.00 64.21 60.55 1um7 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1um7 s SER 6 N -6.17 -0.08 -0.16 -3.46 0.01 -1.26 -5.17 113.70 97.41 1um7 s SER 6 Ca 0.00 -0.74 -0.07 0.00 1.31 0.00 0.00 55.95 56.45 1um7 s SER 6 Cb 0.00 0.51 0.07 0.00 0.21 0.00 0.00 66.02 66.81 1um7 s SER 6 CO 0.00 -0.99 0.35 -0.83 0.41 0.00 0.00 173.24 172.19 1um7 s GLY 7 N -2.94 -0.26 0.20 3.44 0.00 -1.26 -5.15 107.32 101.35 1um7 s GLY 7 Ca 0.15 1.31 -0.27 0.00 0.00 0.00 0.00 44.72 45.91 1um7 s GLY 7 CO 0.00 1.89 0.85 0.50 0.00 0.00 0.00 173.10 176.34 1um7 s ARG 8 N 1.95 4.70 0.10 2.90 0.52 -1.26 -5.06 118.95 122.80 1um7 s ARG 8 Ca -0.05 1.31 -0.02 0.00 -0.52 0.00 0.00 55.73 56.45 1um7 s ARG 8 Cb -0.11 -3.27 0.02 0.00 0.52 0.00 0.00 34.95 32.12 1um7 s ARG 8 CO -0.11 0.55 0.11 -0.35 0.02 0.00 0.00 175.30 175.52 1um7 n PRO 9 N 1.55 -0.65 0.00 3.54 -0.04 -1.26 -5.10 135.00 133.03 1um7 n PRO 9 Ca -0.04 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1um7 n PRO 9 Cb 0.48 -0.14 0.00 0.00 -0.04 0.00 0.00 33.50 33.80 1um7 n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1um7 n GLY 10 N 3.03 0.33 0.00 0.55 0.00 -1.26 -5.19 105.19 102.65 1um7 n GLY 10 Ca 0.01 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1um7 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1um7 n GLY 11 N -0.12 3.67 0.76 -0.02 0.00 -1.26 -4.93 105.19 103.29 1um7 n GLY 11 Ca 0.00 -1.72 0.06 0.00 0.00 0.00 0.00 46.02 44.36 1um7 n GLY 11 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1um7 n ASP 12 N 0.00 3.11 -2.70 1.61 8.00 -1.26 -5.00 116.55 120.31 1um7 n ASP 12 Ca 0.00 -3.25 -0.03 0.00 0.71 0.00 0.00 54.79 52.21 1um7 n ASP 12 Cb 0.00 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 1um7 n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1um7 n ALA 13 N -0.89 -3.27 0.00 2.24 0.00 -1.26 -5.01 120.51 112.32 1um7 n ALA 13 Ca 0.23 0.76 0.00 0.00 0.00 0.00 0.00 53.44 54.43 1um7 n ALA 13 Cb 0.86 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1um7 n ALA 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1um7 n ARG 14 N 0.24 0.00 -0.56 0.00 3.00 -1.26 -4.78 116.66 113.29 1um7 n ARG 14 Ca 0.05 0.00 -0.29 0.00 -0.01 0.00 0.00 57.85 57.60 1um7 n ARG 14 Cb 0.19 -0.40 0.26 0.00 0.00 0.00 0.00 32.46 32.51 1um7 n ARG 14 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1um7 s GLU 15 N -1.63 -1.61 0.57 5.56 2.02 -1.26 -4.14 118.70 118.21 1um7 s GLU 15 Ca 0.00 0.50 -0.16 0.00 0.02 0.00 0.00 54.97 55.32 1um7 s GLU 15 Cb 0.00 -1.50 -0.05 0.00 0.10 0.00 0.00 34.13 32.68 1um7 s GLU 15 CO 0.00 -4.10 1.05 -1.25 0.02 0.00 0.00 175.26 170.98 1um7 s PRO 16 N -4.76 3.45 0.34 0.39 0.04 -1.26 -4.36 135.00 128.84 1um7 s PRO 16 Ca 0.68 1.19 0.03 0.00 0.04 0.00 0.00 61.00 62.94 1um7 s PRO 16 Cb -0.20 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 1um7 s PRO 16 CO 0.61 -0.70 0.38 -0.98 0.04 0.00 0.00 177.00 176.35 1um7 s ARG 17 N -3.99 1.84 -0.18 4.56 1.70 -0.87 -4.96 118.95 117.05 1um7 s ARG 17 Ca 0.63 -1.90 -0.06 0.00 -0.47 0.00 0.00 55.73 53.93 1um7 s ARG 17 Cb -0.15 0.38 -0.03 0.00 -0.57 0.00 0.00 34.95 34.58 1um7 s ARG 17 CO 0.34 -0.72 0.03 0.21 -1.08 0.00 0.00 175.30 174.08 1um7 s LYS 18 N -3.23 3.82 -0.19 3.89 2.20 -1.26 -3.05 119.74 121.92 1um7 s LYS 18 Ca 0.36 -0.43 -0.01 0.00 -0.36 0.00 0.00 55.97 55.53 1um7 s LYS 18 Cb 0.01 -3.12 0.05 0.00 -1.51 0.00 0.00 37.83 33.27 1um7 s LYS 18 CO 0.24 0.20 -0.02 0.42 -0.36 0.00 0.00 175.35 175.83 1um7 s ILE 19 N 0.52 1.02 -0.42 5.43 1.01 -0.88 -5.01 121.20 122.88 1um7 s ILE 19 Ca 0.01 -0.76 -0.15 0.00 0.00 0.00 0.00 60.65 59.75 1um7 s ILE 19 Cb -0.13 -1.33 0.03 0.00 0.01 0.00 0.00 42.46 41.03 1um7 s ILE 19 CO 0.02 -0.04 0.32 -0.63 0.00 0.00 0.00 174.94 174.60 1um7 s ILE 20 N 1.64 5.22 -0.17 2.92 1.01 -1.26 -0.57 121.20 129.99 1um7 s ILE 20 Ca -0.02 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 59.82 1um7 s ILE 20 Cb -0.17 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 1um7 s ILE 20 CO -0.07 -0.37 0.01 -0.76 0.00 0.00 0.00 174.94 173.75 1um7 s LEU 21 N 1.66 3.46 -0.50 2.97 1.43 -0.92 -4.95 118.68 121.83 1um7 s LEU 21 Ca 0.05 -0.07 -0.22 0.00 -1.03 0.00 0.00 54.13 52.86 1um7 s LEU 21 Cb -0.20 -1.86 0.04 0.00 0.03 0.00 0.00 46.19 44.20 1um7 s LEU 21 CO 0.09 0.15 0.78 -1.00 0.23 0.00 0.00 176.35 176.61 1um7 s HIS 22 N 0.49 2.94 -0.84 0.29 3.76 -1.26 -3.10 115.29 117.57 1um7 s HIS 22 Ca -0.01 -0.12 -0.30 0.00 -0.15 0.00 0.00 55.06 54.48 1um7 s HIS 22 Cb -0.14 -3.75 -0.20 0.00 1.11 0.00 0.00 32.58 29.61 1um7 s HIS 22 CO 0.02 -1.12 2.39 1.63 -0.85 0.00 0.00 174.74 176.80 1um7 n LYS 23 N 6.80 0.00 -0.10 1.40 5.02 -0.76 -4.63 118.16 125.89 1um7 n LYS 23 Ca -0.01 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.11 1um7 n LYS 23 Cb 0.47 -1.37 -0.07 0.00 -0.02 0.00 0.00 35.03 34.04 1um7 n LYS 23 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1um7 n GLY 24 N 6.08 -0.70 3.50 0.72 0.00 -1.18 -4.98 105.19 108.63 1um7 n GLY 24 Ca 0.59 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 46.38 1um7 n GLY 24 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1um7 s SER 25 N -6.55 -0.44 -0.79 1.61 0.01 -1.26 -4.92 113.70 101.36 1um7 s SER 25 Ca -0.28 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.13 1um7 s SER 25 Cb 0.07 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.73 1um7 s SER 25 CO 0.44 -0.64 0.00 0.35 0.41 0.00 0.00 173.24 173.80 1um7 n THR 26 N 0.04 -0.12 0.00 1.44 -2.24 -1.26 -3.82 114.28 108.31 1um7 n THR 26 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1um7 n THR 26 Cb 0.61 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 1um7 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1um7 n GLY 27 N -0.32 0.48 0.00 3.38 0.00 -1.26 -4.27 105.19 103.20 1um7 n GLY 27 Ca -0.08 -1.77 0.13 0.00 0.00 0.00 0.00 46.02 44.29 1um7 n GLY 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1um7 n LEU 28 N 0.00 0.00 -0.52 0.99 7.99 -1.26 -3.07 117.00 121.13 1um7 n LEU 28 Ca 0.00 0.38 0.00 0.00 -0.01 0.00 0.00 56.01 56.38 1um7 n LEU 28 Cb 0.00 -0.38 0.00 0.00 -0.11 0.00 0.00 43.42 42.93 1um7 n LEU 28 CO 0.00 -0.04 0.00 0.61 -1.51 0.00 0.00 177.39 176.45 1um7 n GLY 29 N 1.05 0.81 3.60 -0.72 0.00 -1.25 -1.68 105.19 107.00 1um7 n GLY 29 Ca 0.10 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 1um7 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1um7 s PHE 30 N -2.72 -0.33 0.44 1.61 -0.12 -1.26 0.14 117.98 115.74 1um7 s PHE 30 Ca 0.00 0.62 0.06 0.00 -0.05 0.00 0.00 56.93 57.56 1um7 s PHE 30 Cb 0.00 0.44 0.01 0.00 -0.63 0.00 0.00 43.02 42.85 1um7 s PHE 30 CO 0.00 -0.28 0.61 1.21 -0.05 0.00 0.00 175.22 176.72 1um7 s ASN 31 N -0.87 5.61 0.06 1.98 3.84 0.64 -4.92 114.94 121.28 1um7 s ASN 31 Ca 0.01 -0.26 -0.01 0.00 0.21 0.00 0.00 52.86 52.80 1um7 s ASN 31 Cb -0.01 -0.82 -0.04 0.00 -0.55 0.00 0.00 41.25 39.83 1um7 s ASN 31 CO -0.01 -0.81 -0.01 0.27 -2.79 0.00 0.00 177.10 173.75 1um7 s ILE 32 N -2.44 0.20 0.32 -5.21 -4.36 -1.26 -2.52 121.20 105.92 1um7 s ILE 32 Ca 0.54 -1.80 -0.01 0.00 -0.26 0.00 0.00 60.65 59.12 1um7 s ILE 32 Cb -0.10 -1.59 -0.01 0.00 1.25 0.00 0.00 42.46 42.01 1um7 s ILE 32 CO 0.34 -0.91 0.40 0.68 0.24 0.00 0.00 174.94 175.69 1um7 s VAL 33 N -3.94 0.00 0.00 8.37 -7.23 0.53 -4.61 120.40 113.53 1um7 s VAL 33 Ca 0.09 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 1um7 s VAL 33 Cb 0.08 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.46 1um7 s VAL 33 CO -0.08 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 1um7 n GLY 34 N -0.53 -3.39 0.00 2.32 0.00 -1.26 -1.61 105.19 100.72 1um7 n GLY 34 Ca 0.02 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1um7 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1um7 n GLY 35 N -0.07 0.98 2.83 -0.02 0.00 -1.24 -2.99 105.19 104.68 1um7 n GLY 35 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1um7 n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1um7 s GLU 36 N 0.05 0.81 -0.50 1.61 0.41 -1.26 -4.47 118.70 115.36 1um7 s GLU 36 Ca 0.00 -0.02 -0.01 0.00 -0.41 0.00 0.00 54.97 54.53 1um7 s GLU 36 Cb 0.00 -1.01 0.01 0.00 -1.78 0.00 0.00 34.13 31.35 1um7 s GLU 36 CO 0.00 -0.22 0.05 -0.25 -0.49 0.00 0.00 175.26 174.35 1um7 n ASP 37 N 4.73 -2.17 -3.57 -0.19 8.00 -1.26 -0.22 116.55 121.88 1um7 n ASP 37 Ca -0.14 0.28 -0.25 0.00 0.71 0.00 0.00 54.79 55.39 1um7 n ASP 37 Cb 0.50 -1.92 0.05 0.00 -0.02 0.00 0.00 41.12 39.73 1um7 n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1um7 n GLY 38 N -0.66 -0.93 0.09 0.44 0.00 -1.26 -4.91 105.19 97.96 1um7 n GLY 38 Ca -0.05 0.44 -0.11 0.00 0.00 0.00 0.00 46.02 46.31 1um7 n GLY 38 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1um7 h GLU 39 N -1.66 0.08 0.00 1.61 4.11 -0.86 -3.45 114.58 114.41 1um7 h GLU 39 Ca -0.64 -0.13 0.00 0.00 0.07 0.00 0.00 59.36 58.65 1um7 h GLU 39 Cb 1.35 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1um7 h GLU 39 CO 0.48 0.85 0.00 0.41 0.07 0.00 0.00 179.01 180.82 1um7 n GLY 40 N 1.54 3.46 3.68 1.06 0.00 -1.26 -5.05 105.19 108.62 1um7 n GLY 40 Ca -0.12 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 43.78 1um7 n GLY 40 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1um7 s ILE 41 N -2.25 4.03 0.15 -0.61 -1.09 -1.24 -3.69 121.20 116.50 1um7 s ILE 41 Ca 0.00 -0.84 -0.12 0.00 -2.23 0.00 0.00 60.65 57.46 1um7 s ILE 41 Cb 0.00 -2.87 0.01 0.00 -1.58 0.00 0.00 42.46 38.02 1um7 s ILE 41 CO 0.00 0.23 0.33 -0.36 -1.23 0.00 0.00 174.94 173.91 1um7 s PHE 42 N -1.21 0.17 0.05 3.97 0.40 -0.63 0.26 117.98 120.98 1um7 s PHE 42 Ca 0.23 -0.53 -0.22 0.00 -0.60 0.00 0.00 56.93 55.80 1um7 s PHE 42 Cb -0.12 0.08 -0.06 0.00 0.51 0.00 0.00 43.02 43.43 1um7 s PHE 42 CO 0.15 -0.73 0.67 0.08 0.70 0.00 0.00 175.22 176.09 1um7 s VAL 43 N -3.91 4.75 -0.71 -0.44 1.01 -0.70 0.20 120.40 120.60 1um7 s VAL 43 Ca 0.11 1.43 0.21 0.00 0.00 0.00 0.00 61.98 63.74 1um7 s VAL 43 Cb 0.02 -4.01 -0.26 0.00 0.00 0.00 0.00 36.38 32.13 1um7 s VAL 43 CO -0.04 0.44 0.78 -1.54 0.00 0.00 0.00 175.10 174.74 1um7 n SER 44 N 2.42 0.70 0.00 3.32 3.41 -1.05 -2.75 113.62 119.67 1um7 n SER 44 Ca -0.06 -0.68 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 1um7 n SER 44 Cb 0.50 1.28 0.00 0.00 -0.26 0.00 0.00 64.21 65.73 1um7 n SER 44 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1um7 n PHE 45 N -1.73 0.00 -3.89 7.33 7.35 -1.26 -4.93 117.46 120.33 1um7 n PHE 45 Ca 0.02 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.46 1um7 n PHE 45 Cb 0.40 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 40.06 1um7 n PHE 45 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1um7 s ILE 46 N -2.00 0.72 0.32 -2.13 -1.09 -1.26 -0.26 121.20 115.49 1um7 s ILE 46 Ca 0.00 -0.11 -0.28 0.00 -2.23 0.00 0.00 60.65 58.03 1um7 s ILE 46 Cb 0.00 -0.79 -0.13 0.00 -1.58 0.00 0.00 42.46 39.96 1um7 s ILE 46 CO 0.00 0.31 1.22 -0.11 -1.23 0.00 0.00 174.94 175.13 1um7 n LEU 47 N 4.92 3.02 -4.64 2.97 -0.00 0.36 -4.90 117.00 118.73 1um7 n LEU 47 Ca -0.11 1.19 -0.42 0.00 -0.00 0.00 0.00 56.01 56.67 1um7 n LEU 47 Cb 0.50 -1.42 -0.03 0.00 -0.00 0.00 0.00 43.42 42.46 1um7 n LEU 47 CO 0.15 -0.74 0.77 0.00 -0.00 0.00 0.00 177.39 177.56 1um7 s ALA 48 N -0.99 3.61 0.00 1.96 0.00 -1.26 -3.07 121.76 122.01 1um7 s ALA 48 Ca 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1um7 s ALA 48 Cb -0.61 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.08 1um7 s ALA 48 CO 0.60 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.67 1um7 n GLY 49 N 3.73 1.46 3.17 0.00 0.00 -1.26 -5.05 105.19 107.24 1um7 n GLY 49 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1um7 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1um7 n GLY 50 N -2.00 -3.03 0.12 -0.02 0.00 -1.17 -4.56 105.19 94.53 1um7 n GLY 50 Ca 0.00 -1.44 -0.05 0.00 0.00 0.00 0.00 46.02 44.53 1um7 n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1um7 h PRO 51 N 0.00 0.07 0.00 1.61 0.13 -1.82 0.58 132.00 132.58 1um7 h PRO 51 Ca -0.38 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 1um7 h PRO 51 Cb 1.18 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1um7 h PRO 51 CO 0.24 0.80 -0.08 0.00 -0.23 0.00 0.00 178.00 178.73 1um7 h ALA 52 N 1.17 1.03 0.00 -0.56 0.00 -1.51 -0.84 119.26 118.56 1um7 h ALA 52 Ca -0.02 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1um7 h ALA 52 Cb 1.35 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1um7 h ALA 52 CO 0.11 0.10 -1.45 -3.47 0.00 0.00 0.00 179.25 174.54 1um7 n ASP 53 N -3.23 1.93 -0.09 0.00 -0.08 -1.09 -3.19 116.55 110.79 1um7 n ASP 53 Ca 0.00 0.37 -0.10 0.00 -1.51 0.00 0.00 54.79 53.56 1um7 n ASP 53 Cb 0.33 -0.79 -0.04 0.00 2.34 0.00 0.00 41.12 42.96 1um7 n ASP 53 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1um7 h LEU 54 N -1.00 -1.24 -1.00 -2.67 3.38 0.11 0.25 115.31 113.15 1um7 h LEU 54 Ca -0.24 0.19 0.39 0.00 0.09 0.00 0.00 57.88 58.30 1um7 h LEU 54 Cb 1.16 0.54 -0.18 0.00 0.09 0.00 0.00 40.66 42.27 1um7 h LEU 54 CO -0.15 -0.36 0.42 0.28 0.09 0.00 0.00 178.44 178.72 1um7 h SER 55 N -0.34 0.13 0.00 -0.43 0.02 -1.34 -3.44 113.55 108.15 1um7 h SER 55 Ca 0.13 0.27 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1um7 h SER 55 Cb 0.57 0.32 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1um7 h SER 55 CO -0.50 -0.42 0.00 0.61 -1.14 0.00 0.00 176.83 175.37 1um7 n GLY 56 N -1.32 0.57 0.21 -3.77 0.00 0.88 -4.89 105.19 96.88 1um7 n GLY 56 Ca 0.35 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.20 1um7 n GLY 56 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1um7 n GLU 57 N -2.86 0.50 -2.39 1.61 1.02 -1.26 -4.93 120.64 112.33 1um7 n GLU 57 Ca 0.00 0.21 -0.42 0.00 -0.02 0.00 0.00 57.16 56.92 1um7 n GLU 57 Cb 0.00 -1.35 -0.03 0.00 -0.02 0.00 0.00 31.44 30.04 1um7 n GLU 57 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1um7 s LEU 58 N -7.60 4.26 0.03 -4.62 2.96 -1.19 -5.01 118.68 107.51 1um7 s LEU 58 Ca -0.30 1.86 0.02 0.00 -0.22 0.00 0.00 54.13 55.49 1um7 s LEU 58 Cb 0.08 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.20 1um7 s LEU 58 CO 0.41 -0.67 -0.08 -0.13 -1.32 0.00 0.00 176.35 174.56 1um7 s ARG 59 N 2.64 0.54 -0.06 1.98 0.52 -1.26 -4.31 118.95 119.01 1um7 s ARG 59 Ca 0.58 -0.65 -0.35 0.00 -0.52 0.00 0.00 55.73 54.79 1um7 s ARG 59 Cb -0.26 -0.38 -0.13 0.00 0.52 0.00 0.00 34.95 34.70 1um7 s ARG 59 CO 0.21 0.08 1.78 -2.13 0.02 0.00 0.00 175.30 175.27 1um7 n ARG 60 N 1.80 2.01 0.00 3.54 0.63 -1.26 -1.49 116.66 121.88 1um7 n ARG 60 Ca -0.20 0.73 0.00 0.00 -0.92 0.00 0.00 57.85 57.46 1um7 n ARG 60 Cb 0.55 -2.54 0.00 0.00 0.45 0.00 0.00 32.46 30.93 1um7 n ARG 60 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1um7 n GLY 61 N 4.11 0.83 3.64 5.14 0.00 -1.11 -4.95 105.19 112.84 1um7 n GLY 61 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1um7 n GLY 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1um7 s ASP 62 N -1.10 6.84 -0.41 1.61 1.11 -0.56 -3.14 116.67 121.01 1um7 s ASP 62 Ca 0.00 1.25 -0.29 0.00 0.18 0.00 0.00 52.55 53.69 1um7 s ASP 62 Cb 0.00 -2.54 0.01 0.00 1.07 0.00 0.00 42.92 41.46 1um7 s ASP 62 CO 0.00 -0.93 1.47 -0.60 1.18 0.00 0.00 175.17 176.29 1um7 s ARG 63 N 3.81 3.51 0.22 8.23 3.52 -0.90 -1.72 118.95 135.62 1um7 s ARG 63 Ca 0.51 0.97 -0.30 0.00 -0.13 0.00 0.00 55.73 56.78 1um7 s ARG 63 Cb -0.16 -4.06 -0.09 0.00 -1.56 0.00 0.00 34.95 29.08 1um7 s ARG 63 CO 0.18 -1.65 1.34 0.42 -0.81 0.00 0.00 175.30 174.78 1um7 s ILE 64 N 5.73 3.03 -0.08 4.11 -1.09 0.14 -0.80 121.20 132.24 1um7 s ILE 64 Ca 0.63 0.86 -0.06 0.00 -2.23 0.00 0.00 60.65 59.86 1um7 s ILE 64 Cb -0.15 -3.55 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 1um7 s ILE 64 CO 0.32 0.14 -0.13 0.18 -1.23 0.00 0.00 174.94 174.22 1um7 n LEU 65 N 2.42 0.94 -3.86 2.97 4.77 0.81 -3.71 117.00 121.34 1um7 n LEU 65 Ca 0.06 0.15 -0.11 0.00 -0.03 0.00 0.00 56.01 56.08 1um7 n LEU 65 Cb 0.42 -0.36 -0.09 0.00 -2.33 0.00 0.00 43.42 41.06 1um7 n LEU 65 CO 0.59 -0.02 -0.14 -0.94 -1.33 0.00 0.00 177.39 175.55 1um7 s SER 66 N -5.95 0.03 -0.01 -1.43 1.04 -0.95 -2.76 113.70 103.67 1um7 s SER 66 Ca -0.14 -0.27 0.05 0.00 0.48 0.00 0.00 55.95 56.07 1um7 s SER 66 Cb 0.04 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 1um7 s SER 66 CO 0.18 -0.45 -0.16 -0.69 0.98 0.00 0.00 173.24 173.10 1um7 s VAL 67 N -1.89 1.25 -0.01 5.02 1.01 -1.13 0.12 120.40 124.77 1um7 s VAL 67 Ca -0.11 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1um7 s VAL 67 Cb -0.05 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.29 1um7 s VAL 67 CO -0.01 0.35 0.00 -3.20 0.00 0.00 0.00 175.10 172.24 1um7 n ASN 68 N 2.67 -0.91 -1.62 3.32 2.85 0.35 0.85 115.26 122.77 1um7 n ASN 68 Ca -0.15 0.44 -0.02 0.00 -0.11 0.00 0.00 54.58 54.74 1um7 n ASN 68 Cb 0.55 -0.96 0.01 0.00 1.24 0.00 0.00 39.78 40.62 1um7 n ASN 68 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1um7 n GLY 69 N -0.44 0.49 3.12 8.20 0.00 -1.26 -4.92 105.19 110.38 1um7 n GLY 69 Ca -0.00 -0.24 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 1um7 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1um7 s VAL 70 N -3.06 0.93 -0.44 1.61 0.11 0.25 -5.11 120.40 114.69 1um7 s VAL 70 Ca 0.04 -1.03 -0.22 0.00 -2.93 0.00 0.00 61.98 57.85 1um7 s VAL 70 Cb -0.01 -0.88 0.02 0.00 -1.53 0.00 0.00 36.38 33.99 1um7 s VAL 70 CO 0.11 -0.13 0.71 0.21 -3.33 0.00 0.00 175.10 172.68 1um7 s ASN 71 N -1.30 6.37 0.00 3.54 3.84 -1.26 -2.83 114.94 123.31 1um7 s ASN 71 Ca -0.02 -0.19 0.00 0.00 0.21 0.00 0.00 52.86 52.86 1um7 s ASN 71 Cb -0.08 -2.35 0.00 0.00 -0.55 0.00 0.00 41.25 38.27 1um7 s ASN 71 CO 0.01 -0.83 0.63 0.18 -2.79 0.00 0.00 177.10 174.31 1um7 n LEU 72 N 6.46 1.22 -0.29 3.21 4.77 -1.11 -4.75 117.00 126.50 1um7 n LEU 72 Ca 0.00 -1.22 0.28 0.00 -0.03 0.00 0.00 56.01 55.04 1um7 n LEU 72 Cb 0.48 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 42.09 1um7 n LEU 72 CO 0.56 0.30 0.94 0.54 -1.33 0.00 0.00 177.39 178.40 1um7 n ARG 73 N -0.17 -0.06 -2.72 3.23 1.74 -1.18 -0.15 116.66 117.35 1um7 n ARG 73 Ca 0.00 1.25 -0.17 0.00 -0.77 0.00 0.00 57.85 58.17 1um7 n ARG 73 Cb 0.13 -2.24 0.01 0.00 -1.02 0.00 0.00 32.46 29.34 1um7 n ARG 73 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1um7 n ASN 74 N -5.06 2.52 -4.62 0.55 3.02 -1.26 -4.02 115.26 106.38 1um7 n ASN 74 Ca 0.33 -3.12 -0.28 0.00 -0.03 0.00 0.00 54.58 51.49 1um7 n ASN 74 Cb 1.13 -0.53 -0.09 0.00 -0.61 0.00 0.00 39.78 39.69 1um7 n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1um7 s ALA 75 N -3.16 3.09 0.65 5.41 0.00 0.79 -4.77 121.76 123.77 1um7 s ALA 75 Ca 0.37 -1.34 -0.11 0.00 0.00 0.00 0.00 51.96 50.87 1um7 s ALA 75 Cb 0.41 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 1um7 s ALA 75 CO -0.06 0.54 1.05 0.95 0.00 0.00 0.00 175.76 178.24 1um7 s THR 76 N -1.56 4.34 0.18 0.00 -4.23 -1.26 -4.04 115.64 109.06 1um7 s THR 76 Ca 0.25 0.76 -0.26 0.00 -1.18 0.00 0.00 61.69 61.26 1um7 s THR 76 Cb -0.10 -3.69 0.03 0.00 1.34 0.00 0.00 72.50 70.09 1um7 s THR 76 CO 0.17 -0.99 1.55 -0.74 -0.54 0.00 0.00 174.62 174.06 1um7 h HIS 77 N -0.48 -1.49 0.02 3.99 2.76 -1.75 0.33 115.15 118.53 1um7 h HIS 77 Ca -0.44 0.10 0.02 0.00 -2.20 0.00 0.00 60.37 57.86 1um7 h HIS 77 Cb 1.21 0.76 -0.05 0.00 1.55 0.00 0.00 27.41 30.87 1um7 h HIS 77 CO 0.62 -0.41 -0.48 1.49 -1.30 0.00 0.00 177.93 177.86 1um7 h GLU 78 N -0.11 -0.62 -0.83 5.26 4.81 -1.92 0.28 114.58 121.45 1um7 h GLU 78 Ca 0.20 0.04 0.20 0.00 -0.13 0.00 0.00 59.36 59.68 1um7 h GLU 78 Cb 0.52 0.14 -0.13 0.00 0.63 0.00 0.00 28.75 29.91 1um7 h GLU 78 CO -0.84 -0.41 0.16 1.96 -0.73 0.00 0.00 179.01 179.15 1um7 h GLN 79 N -0.64 0.19 -0.82 1.92 4.20 -1.36 1.73 115.11 120.32 1um7 h GLN 79 Ca 0.03 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1um7 h GLN 79 Cb 0.70 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 1um7 h GLN 79 CO -0.33 0.12 0.36 0.00 -0.67 0.00 0.00 178.83 178.32 1um7 h ALA 80 N 1.73 1.08 -0.16 3.87 0.00 0.94 -1.68 119.26 125.04 1um7 h ALA 80 Ca 0.49 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 1um7 h ALA 80 Cb 0.94 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1um7 h ALA 80 CO -0.64 0.67 -0.13 0.00 0.00 0.00 0.00 179.25 179.15 1um7 h ALA 81 N 1.20 0.24 -0.22 0.00 0.00 0.41 -2.53 119.26 118.36 1um7 h ALA 81 Ca 0.28 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1um7 h ALA 81 Cb 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1um7 h ALA 81 CO -0.03 0.10 0.31 0.00 0.00 0.00 0.00 179.25 179.63 1um7 h ALA 82 N 0.64 1.77 0.00 0.00 0.00 0.25 1.52 119.26 123.45 1um7 h ALA 82 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1um7 h ALA 82 Cb 0.64 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1um7 h ALA 82 CO 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 178.86 1um7 h ALA 83 N 1.58 1.00 0.00 0.00 0.00 -0.86 -1.17 119.26 119.81 1um7 h ALA 83 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.74 1um7 h ALA 83 Cb 0.72 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1um7 h ALA 83 CO -0.00 0.00 -2.06 1.28 0.00 0.00 0.00 179.25 178.47 1um7 n LEU 84 N -2.87 0.30 0.15 0.00 7.99 0.50 -3.38 117.00 119.68 1um7 n LEU 84 Ca 0.02 0.14 0.13 0.00 -0.01 0.00 0.00 56.01 56.29 1um7 n LEU 84 Cb 0.37 0.31 0.34 0.00 -0.11 0.00 0.00 43.42 44.33 1um7 n LEU 84 CO 0.28 0.36 0.86 0.11 -1.51 0.00 0.00 177.39 177.50 1um7 h LYS 85 N 0.00 0.00 0.00 3.23 6.56 -0.82 -3.02 116.57 122.52 1um7 h LYS 85 Ca -0.37 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.22 1um7 h LYS 85 Cb 1.95 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.61 1um7 h LYS 85 CO 0.04 0.00 -1.32 2.89 -2.06 0.00 0.00 179.45 178.99 1um7 n ARG 86 N -2.56 0.53 0.00 3.15 1.85 -0.46 -4.89 116.66 114.28 1um7 n ARG 86 Ca 0.05 -0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.88 1um7 n ARG 86 Cb 0.45 -1.66 0.00 0.00 -1.05 0.00 0.00 32.46 30.20 1um7 n ARG 86 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1um7 n ALA 87 N -2.10 0.00 -2.90 2.89 0.00 -1.14 -5.09 120.51 112.17 1um7 n ALA 87 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1um7 n ALA 87 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1um7 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1um7 n GLY 88 N 2.79 2.12 0.18 0.00 0.00 -1.26 -5.03 105.19 103.99 1um7 n GLY 88 Ca 0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 1um7 n GLY 88 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1um7 h GLN 89 N 0.00 -0.16 -4.30 1.61 4.20 -1.93 -3.36 115.11 111.17 1um7 h GLN 89 Ca 0.00 0.01 -0.74 0.00 0.06 0.00 0.00 58.65 57.98 1um7 h GLN 89 Cb 0.00 0.04 -0.23 0.00 0.30 0.00 0.00 27.48 27.59 1um7 h GLN 89 CO 0.00 -0.11 -0.33 -1.54 -0.67 0.00 0.00 178.83 176.18 1um7 s SER 90 N -5.07 6.13 -0.08 1.46 1.04 -1.26 -1.82 113.70 114.09 1um7 s SER 90 Ca -0.14 -1.36 0.02 0.00 0.48 0.00 0.00 55.95 54.94 1um7 s SER 90 Cb 0.10 -2.18 -0.02 0.00 0.10 0.00 0.00 66.02 64.02 1um7 s SER 90 CO 0.67 -0.65 -0.12 -0.69 0.98 0.00 0.00 173.24 173.43 1um7 s VAL 91 N 1.63 3.21 -0.47 5.02 1.01 -1.18 -5.01 120.40 124.61 1um7 s VAL 91 Ca 0.04 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 1um7 s VAL 91 Cb -0.25 -2.30 0.11 0.00 0.00 0.00 0.00 36.38 33.94 1um7 s VAL 91 CO 0.06 0.57 0.36 -0.89 0.00 0.00 0.00 175.10 175.20 1um7 s THR 92 N -0.35 4.43 -0.42 3.92 2.01 -1.26 -2.17 115.64 121.79 1um7 s THR 92 Ca 0.04 -1.63 -0.14 0.00 0.31 0.00 0.00 61.69 60.27 1um7 s THR 92 Cb -0.12 -3.85 0.04 0.00 0.01 0.00 0.00 72.50 68.57 1um7 s THR 92 CO 0.02 -0.73 0.30 -0.63 -0.69 0.00 0.00 174.62 172.89 1um7 s ILE 93 N 1.43 4.99 -0.57 1.82 1.09 0.26 0.13 121.20 130.35 1um7 s ILE 93 Ca 0.05 -0.88 -0.19 0.00 -1.10 0.00 0.00 60.65 58.52 1um7 s ILE 93 Cb -0.26 -3.86 0.09 0.00 -1.06 0.00 0.00 42.46 37.37 1um7 s ILE 93 CO 0.01 -0.38 0.69 -0.69 -0.10 0.00 0.00 174.94 174.47 1um7 s VAL 94 N 1.62 4.82 0.26 2.92 1.01 0.12 -2.08 120.40 129.06 1um7 s VAL 94 Ca 0.04 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.24 1um7 s VAL 94 Cb -0.21 -4.45 -0.05 0.00 0.00 0.00 0.00 36.38 31.67 1um7 s VAL 94 CO 0.08 -1.06 -0.10 0.00 0.00 0.00 0.00 175.10 174.02 1um7 s ALA 95 N 2.71 2.29 -0.21 5.51 0.00 -1.17 -0.13 121.76 130.76 1um7 s ALA 95 Ca 0.13 -1.83 0.01 0.00 0.00 0.00 0.00 51.96 50.27 1um7 s ALA 95 Cb -0.23 0.05 0.04 0.00 0.00 0.00 0.00 23.12 22.99 1um7 s ALA 95 CO 0.08 0.01 -0.13 1.14 0.00 0.00 0.00 175.76 176.86 1um7 s GLN 96 N -3.68 2.29 -0.77 0.00 -2.07 0.02 -2.04 119.66 113.41 1um7 s GLN 96 Ca 0.27 -0.97 -0.24 0.00 -1.82 0.00 0.00 55.36 52.60 1um7 s GLN 96 Cb 0.01 -2.57 -0.17 0.00 -1.09 0.00 0.00 33.01 29.20 1um7 s GLN 96 CO 0.11 -0.42 2.43 0.98 -1.32 0.00 0.00 175.29 177.07 1um7 n TYR 97 N 4.60 0.93 -3.54 9.60 4.19 -1.26 -2.12 117.16 129.56 1um7 n TYR 97 Ca -0.16 0.12 -0.29 0.00 3.31 0.00 0.00 57.90 60.88 1um7 n TYR 97 Cb 0.46 -2.21 -0.12 0.00 0.49 0.00 0.00 39.34 37.96 1um7 n TYR 97 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 1um7 s ARG 98 N 8.40 0.96 0.21 2.98 1.81 -1.19 -4.62 118.95 127.50 1um7 s ARG 98 Ca 1.11 -1.83 0.08 0.00 -1.72 0.00 0.00 55.73 53.37 1um7 s ARG 98 Cb -0.51 -1.75 0.15 0.00 -0.45 0.00 0.00 34.95 32.39 1um7 s ARG 98 CO 0.31 -1.24 1.49 -1.00 -0.68 0.00 0.00 175.30 174.18 1um7 h PRO 99 N 6.52 0.03 -0.72 3.54 0.13 -1.88 -2.75 132.00 136.87 1um7 h PRO 99 Ca 0.09 -0.03 0.17 0.00 -0.87 0.00 0.00 66.00 65.36 1um7 h PRO 99 Cb 0.93 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.03 1um7 h PRO 99 CO 0.38 0.77 0.49 0.93 -0.23 0.00 0.00 178.00 180.34 1um7 h GLU 100 N 0.02 0.26 0.00 0.86 5.08 -1.92 0.22 114.58 119.09 1um7 h GLU 100 Ca -0.01 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1um7 h GLU 100 Cb 1.34 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1um7 h GLU 100 CO 0.10 0.17 -0.71 0.93 -1.00 0.00 0.00 179.01 178.51 1um7 h GLU 101 N 0.26 0.00 -0.71 2.33 4.39 -1.91 -3.34 114.58 115.60 1um7 h GLU 101 Ca 0.35 0.00 0.21 0.00 0.34 0.00 0.00 59.36 60.26 1um7 h GLU 101 Cb 1.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.62 1um7 h GLU 101 CO -0.08 0.82 0.60 -0.92 -1.16 0.00 0.00 179.01 178.26 1um7 h TYR 102 N -1.00 0.00 -0.37 4.33 3.20 -1.13 0.50 116.97 122.50 1um7 h TYR 102 Ca -0.18 0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.80 1um7 h TYR 102 Cb 1.03 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 1um7 h TYR 102 CO 0.11 0.00 0.31 0.66 -1.64 0.00 0.00 178.16 177.60 1um7 h SER 103 N 0.00 0.00 0.26 -2.11 4.64 -0.71 0.51 113.55 116.14 1um7 h SER 103 Ca 0.34 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.64 1um7 h SER 103 Cb 1.54 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1um7 h SER 103 CO -0.00 0.00 -0.09 0.08 -0.87 0.00 0.00 176.83 175.94 1um7 h ARG 104 N 0.00 0.00 0.04 4.77 0.11 -0.20 -2.79 114.38 116.30 1um7 h ARG 104 Ca 0.18 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.97 1um7 h ARG 104 Cb 0.80 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.85 1um7 h ARG 104 CO -0.00 0.09 -1.58 1.19 0.10 0.00 0.00 179.97 179.77 1um7 n PHE 105 N -3.75 1.01 -0.31 4.08 3.72 0.17 -3.70 117.46 118.68 1um7 n PHE 105 Ca -0.02 0.35 0.01 0.00 -0.05 0.00 0.00 57.45 57.74 1um7 n PHE 105 Cb 0.20 -1.11 0.07 0.00 -0.94 0.00 0.00 39.48 37.70 1um7 n PHE 105 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1um7 h GLU 106 N -0.67 -0.03 0.01 -1.08 4.39 -1.17 0.32 114.58 116.35 1um7 h GLU 106 Ca -0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1um7 h GLU 106 Cb 1.55 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.20 1um7 h GLU 106 CO -0.14 -0.02 -0.03 0.77 -1.16 0.00 0.00 179.01 178.43 1um7 h SER 107 N -0.03 -0.08 -3.18 1.42 0.02 -1.69 -3.39 113.55 106.62 1um7 h SER 107 Ca 0.36 0.01 -0.56 0.00 -0.84 0.00 0.00 61.79 60.77 1um7 h SER 107 Cb 0.61 0.03 -0.40 0.00 0.14 0.00 0.00 62.40 62.79 1um7 h SER 107 CO -0.88 -0.05 -0.76 -0.44 -1.14 0.00 0.00 176.83 173.56 1um7 s SER 108 N -5.14 3.60 0.00 3.07 0.01 0.96 -5.11 113.70 111.08 1um7 s SER 108 Ca -0.13 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 55.82 1um7 s SER 108 Cb 0.07 -0.73 0.00 0.00 0.21 0.00 0.00 66.02 65.56 1um7 s SER 108 CO 0.66 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.55 1um7 n GLY 109 N 4.95 3.94 3.57 3.44 0.00 -0.14 -4.30 105.19 116.66 1um7 n GLY 109 Ca -0.05 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 1um7 n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1um7 s PRO 110 N 2.70 3.19 -0.25 1.61 0.04 -1.26 -4.84 135.00 136.19 1um7 s PRO 110 Ca 0.00 -1.24 -0.04 0.00 0.04 0.00 0.00 61.00 59.76 1um7 s PRO 110 Cb 0.00 -5.32 0.09 0.00 0.04 0.00 0.00 34.50 29.31 1um7 s PRO 110 CO 0.00 -2.98 0.14 -1.54 0.04 0.00 0.00 177.00 172.66 1um7 s SER 111 N 5.78 2.92 0.23 6.66 1.04 -1.26 -5.14 113.70 123.94 1um7 s SER 111 Ca 0.60 -0.99 0.06 0.00 0.48 0.00 0.00 55.95 56.09 1um7 s SER 111 Cb -0.00 -0.21 -0.03 0.00 0.10 0.00 0.00 66.02 65.87 1um7 s SER 111 CO 0.04 -0.40 0.27 -0.44 0.98 0.00 0.00 173.24 173.69 1um7 s SER 112 N 2.14 5.92 0.00 7.02 0.01 -1.26 -5.19 113.70 122.35 1um7 s SER 112 Ca 0.07 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.25 1um7 s SER 112 Cb -0.16 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.43 1um7 s SER 112 CO -0.27 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 173.95