#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x05 s SER 2 N 0.00 4.04 -0.21 1.61 1.04 -1.26 -5.12 113.70 113.80 1x05 s SER 2 Ca 0.00 -0.31 -0.28 0.00 0.48 0.00 0.00 55.95 55.84 1x05 s SER 2 Cb 0.00 -0.77 0.13 0.00 0.10 0.00 0.00 66.02 65.48 1x05 s SER 2 CO 0.00 0.28 1.03 -0.55 0.98 0.00 0.00 173.24 174.98 1x05 s SER 3 N -1.27 -0.38 0.00 7.02 0.15 -1.26 -5.12 113.70 112.84 1x05 s SER 3 Ca 0.15 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.36 1x05 s SER 3 Cb -0.11 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1x05 s SER 3 CO 0.05 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1x05 n GLY 4 N 1.30 0.67 2.72 9.45 0.00 -1.26 -5.06 105.19 113.02 1x05 n GLY 4 Ca -0.11 -0.98 -0.00 0.00 0.00 0.00 0.00 46.02 44.93 1x05 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x05 n SER 5 N 0.00 -7.54 -3.56 1.61 2.88 -1.26 -5.06 113.62 100.69 1x05 n SER 5 Ca 0.00 1.43 -0.00 0.00 -1.33 0.00 0.00 58.87 58.97 1x05 n SER 5 Cb 0.00 -5.30 -0.04 0.00 -0.75 0.00 0.00 64.21 58.11 1x05 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x05 s SER 6 N -1.57 -0.92 0.00 -3.46 0.15 -1.26 -5.01 113.70 101.63 1x05 s SER 6 Ca -0.02 1.27 0.00 0.00 0.70 0.00 0.00 55.95 57.90 1x05 s SER 6 Cb 0.00 2.03 0.00 0.00 -1.71 0.00 0.00 66.02 66.34 1x05 s SER 6 CO 0.78 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.65 1x05 n GLY 7 N 5.22 2.54 1.08 9.45 0.00 -1.26 -5.12 105.19 117.09 1x05 n GLY 7 Ca -0.11 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.56 1x05 n GLY 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1x05 n VAL 8 N 0.00 0.00 -1.26 1.61 3.14 -1.26 -4.95 118.33 115.61 1x05 n VAL 8 Ca 0.00 0.28 0.14 0.00 -2.96 0.00 0.00 64.34 61.80 1x05 n VAL 8 Cb 0.00 -0.58 -0.07 0.00 -1.06 0.00 0.00 33.84 32.13 1x05 n VAL 8 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1x05 n ILE 9 N -3.38 -0.38 0.00 1.55 2.08 -1.26 -4.89 119.36 113.08 1x05 n ILE 9 Ca -0.02 0.57 0.00 0.00 0.56 0.00 0.00 62.75 63.86 1x05 n ILE 9 Cb 0.61 -0.96 0.00 0.00 -0.75 0.00 0.00 39.64 38.54 1x05 n ILE 9 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 1x05 n LEU 10 N -3.95 0.00 0.00 1.39 -0.00 -1.26 -5.09 117.00 108.08 1x05 n LEU 10 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 1x05 n LEU 10 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 1x05 n LEU 10 CO 0.03 -0.06 0.00 0.29 -0.00 0.00 0.00 177.39 177.65 1x05 n LYS 11 N 0.00 0.00 0.00 1.96 5.02 -1.26 -5.06 118.16 118.82 1x05 n LYS 11 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1x05 n LYS 11 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1x05 n LYS 11 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1x05 n GLU 12 N 0.00 0.00 0.11 1.97 -0.58 -1.26 -4.67 120.64 116.21 1x05 n GLU 12 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1x05 n GLU 12 Cb 0.00 -0.41 -0.02 0.00 -0.57 0.00 0.00 31.44 30.44 1x05 n GLU 12 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1x05 h GLU 13 N 0.00 0.00 -0.03 3.49 4.11 -2.03 -3.15 114.58 116.97 1x05 h GLU 13 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1x05 h GLU 13 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1x05 h GLU 13 CO 0.00 0.57 0.00 1.19 0.07 0.00 0.00 179.01 180.84 1x05 n PHE 14 N -3.21 0.03 -0.57 2.06 3.72 -1.26 -4.60 117.46 113.63 1x05 n PHE 14 Ca -0.00 -0.01 -0.17 0.00 -0.05 0.00 0.00 57.45 57.22 1x05 n PHE 14 Cb 0.79 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.32 1x05 n PHE 14 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1x05 n ARG 15 N 0.31 1.62 0.00 -1.08 5.12 -1.19 -4.61 116.66 116.84 1x05 n ARG 15 Ca 0.18 -1.25 0.00 0.00 -1.93 0.00 0.00 57.85 54.86 1x05 n ARG 15 Cb 0.38 -2.35 0.00 0.00 -1.16 0.00 0.00 32.46 29.33 1x05 n ARG 15 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x05 n GLY 16 N 3.82 3.46 3.43 -0.13 0.00 -1.26 -4.09 105.19 110.42 1x05 n GLY 16 Ca 0.35 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 1x05 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x05 s VAL 17 N -1.25 1.09 0.34 1.61 0.11 -1.22 -4.98 120.40 116.11 1x05 s VAL 17 Ca 0.00 -2.00 0.08 0.00 -2.93 0.00 0.00 61.98 57.13 1x05 s VAL 17 Cb 0.00 -2.77 -0.03 0.00 -1.53 0.00 0.00 36.38 32.05 1x05 s VAL 17 CO 0.00 0.00 0.26 -0.63 -3.33 0.00 0.00 175.10 171.40 1x05 s ILE 18 N -3.37 3.35 0.00 7.04 1.01 -1.26 -1.85 121.20 126.12 1x05 s ILE 18 Ca 0.37 -1.44 0.00 0.00 0.00 0.00 0.00 60.65 59.57 1x05 s ILE 18 Cb 0.09 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.43 1x05 s ILE 18 CO 0.15 -0.16 0.00 2.30 0.00 0.00 0.00 174.94 177.23 1x05 n ILE 19 N -1.33 0.00 -4.56 2.92 -0.00 -1.07 -4.82 119.36 110.50 1x05 n ILE 19 Ca -0.02 0.00 -0.26 0.00 -0.00 0.00 0.00 62.75 62.47 1x05 n ILE 19 Cb 0.60 -0.21 -0.14 0.00 -0.00 0.00 0.00 39.64 39.90 1x05 n ILE 19 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 1x05 s LYS 20 N -1.52 1.38 -0.16 6.28 2.47 -1.26 -5.03 119.74 121.90 1x05 s LYS 20 Ca 0.00 -1.07 -0.23 0.00 -1.56 0.00 0.00 55.97 53.11 1x05 s LYS 20 Cb 0.00 -1.58 0.06 0.00 -1.46 0.00 0.00 37.83 34.85 1x05 s LYS 20 CO 0.00 0.39 0.59 -0.65 0.16 0.00 0.00 175.35 175.84 1x05 s GLN 21 N -1.47 0.79 0.00 4.03 -0.21 -1.26 -1.06 119.66 120.47 1x05 s GLN 21 Ca 0.08 0.57 0.00 0.00 0.02 0.00 0.00 55.36 56.03 1x05 s GLN 21 Cb -0.09 0.38 0.00 0.00 1.00 0.00 0.00 33.01 34.29 1x05 s GLN 21 CO 0.03 -0.16 0.00 0.41 -2.12 0.00 0.00 175.29 173.45 1x05 n GLY 22 N 2.10 -1.69 3.80 3.09 0.00 -1.07 -5.04 105.19 106.39 1x05 n GLY 22 Ca -0.16 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 1x05 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 s LEU 24 N -1.65 2.49 -0.54 0.00 1.43 0.40 -4.85 118.68 115.96 1x05 s LEU 24 Ca 0.22 -0.99 -0.14 0.00 -1.03 0.00 0.00 54.13 52.20 1x05 s LEU 24 Cb -0.12 0.16 0.13 0.00 0.03 0.00 0.00 46.19 46.40 1x05 s LEU 24 CO 0.13 -0.58 0.47 -0.76 0.23 0.00 0.00 176.35 175.84 1x05 s LEU 25 N -2.90 6.06 -0.18 1.79 2.01 -1.24 -0.96 118.68 123.26 1x05 s LEU 25 Ca 0.07 -1.90 -0.21 0.00 0.01 0.00 0.00 54.13 52.10 1x05 s LEU 25 Cb 0.07 -2.14 -0.03 0.00 0.01 0.00 0.00 46.19 44.10 1x05 s LEU 25 CO -0.09 -0.78 0.63 -0.75 1.01 0.00 0.00 176.35 176.37 1x05 s LYS 26 N 1.41 4.24 0.38 1.70 2.20 -1.21 -2.81 119.74 125.65 1x05 s LYS 26 Ca 0.05 0.64 0.02 0.00 -0.36 0.00 0.00 55.97 56.32 1x05 s LYS 26 Cb -0.27 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.47 1x05 s LYS 26 CO 0.01 -0.19 0.56 -0.65 -0.36 0.00 0.00 175.35 174.72 1x05 s GLN 27 N 1.74 3.23 0.00 4.03 -1.52 -1.02 -4.35 119.66 121.77 1x05 s GLN 27 Ca 0.30 -0.59 0.00 0.00 -1.95 0.00 0.00 55.36 53.12 1x05 s GLN 27 Cb -0.16 -2.68 0.00 0.00 -0.22 0.00 0.00 33.01 29.95 1x05 s GLN 27 CO 0.11 -0.02 0.00 0.41 -0.25 0.00 0.00 175.29 175.54 1x05 n GLY 28 N -1.84 -0.94 0.00 3.09 0.00 -1.26 -4.69 105.19 99.55 1x05 n GLY 28 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1x05 n GLY 28 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1x05 n HIS 29 N 0.52 0.00 -0.08 1.61 -0.00 -1.26 -4.94 115.22 111.07 1x05 n HIS 29 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.64 1x05 n HIS 29 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 29.88 1x05 n HIS 29 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1x05 n ARG 30 N 0.00 1.37 -2.85 1.57 5.12 -1.26 -5.07 116.66 115.54 1x05 n ARG 30 Ca 0.00 0.01 -0.05 0.00 -1.93 0.00 0.00 57.85 55.88 1x05 n ARG 30 Cb 0.00 -1.38 0.01 0.00 -1.16 0.00 0.00 32.46 29.92 1x05 n ARG 30 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1x05 n ARG 31 N -2.64 -2.78 0.00 5.56 3.00 -1.26 -4.91 116.66 113.63 1x05 n ARG 31 Ca -0.26 2.33 0.00 0.00 -0.00 0.00 0.00 57.85 59.92 1x05 n ARG 31 Cb 0.96 -5.07 0.00 0.00 0.00 0.00 0.00 32.46 28.35 1x05 n ARG 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1x05 n LYS 32 N 0.28 0.00 -3.87 -0.14 4.76 -1.26 -5.15 118.16 112.79 1x05 n LYS 32 Ca 0.04 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.39 1x05 n LYS 32 Cb 0.26 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.40 1x05 n LYS 32 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1x05 s ASN 33 N -1.08 -0.16 0.02 4.39 0.01 -1.26 -5.15 114.94 111.72 1x05 s ASN 33 Ca 0.00 -0.70 -0.21 0.00 -0.71 0.00 0.00 52.86 51.24 1x05 s ASN 33 Cb 0.00 0.58 -0.06 0.00 0.41 0.00 0.00 41.25 42.18 1x05 s ASN 33 CO 0.00 -1.09 0.63 0.26 -1.51 0.00 0.00 177.10 175.39 1x05 s TRP 34 N -3.94 3.72 -0.03 2.20 0.52 -1.26 -4.93 118.94 115.22 1x05 s TRP 34 Ca 0.15 1.27 0.02 0.00 0.02 0.00 0.00 56.10 57.56 1x05 s TRP 34 Cb -0.01 -2.63 -0.03 0.00 -1.15 0.00 0.00 33.47 29.65 1x05 s TRP 34 CO 0.02 0.39 -0.06 0.21 0.02 0.00 0.00 176.95 177.53 1x05 s LYS 35 N -0.37 2.67 0.18 4.98 2.20 -1.26 -5.06 119.74 123.09 1x05 s LYS 35 Ca 0.32 -0.63 -0.25 0.00 -0.36 0.00 0.00 55.97 55.05 1x05 s LYS 35 Cb -0.19 -2.57 -0.08 0.00 -1.51 0.00 0.00 37.83 33.48 1x05 s LYS 35 CO 0.19 0.63 0.79 0.08 -0.36 0.00 0.00 175.35 176.68 1x05 s VAL 36 N -0.93 4.35 0.04 4.02 1.01 -1.26 -3.29 120.40 124.35 1x05 s VAL 36 Ca 0.15 1.70 -0.22 0.00 0.00 0.00 0.00 61.98 63.61 1x05 s VAL 36 Cb -0.11 -4.12 0.05 0.00 0.00 0.00 0.00 36.38 32.20 1x05 s VAL 36 CO 0.05 0.48 0.51 -0.13 0.00 0.00 0.00 175.10 176.01 1x05 s ARG 37 N -1.26 1.02 0.22 2.72 3.00 -0.13 -4.63 118.95 119.88 1x05 s ARG 37 Ca 0.37 -0.22 -0.22 0.00 0.00 0.00 0.00 55.73 55.67 1x05 s ARG 37 Cb -0.23 0.46 -0.08 0.00 0.00 0.00 0.00 34.95 35.11 1x05 s ARG 37 CO 0.26 -0.36 0.76 0.21 0.00 0.00 0.00 175.30 176.17 1x05 s LYS 38 N -2.36 4.35 -0.13 3.54 2.20 0.05 0.15 119.74 127.55 1x05 s LYS 38 Ca -0.06 0.98 -0.04 0.00 -0.36 0.00 0.00 55.97 56.49 1x05 s LYS 38 Cb -0.01 -2.95 0.05 0.00 -1.51 0.00 0.00 37.83 33.41 1x05 s LYS 38 CO -0.01 0.42 0.08 -0.06 -0.36 0.00 0.00 175.35 175.42 1x05 s PHE 39 N -1.45 0.15 -0.09 4.03 0.40 0.15 -2.16 117.98 119.01 1x05 s PHE 39 Ca 0.42 -0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.62 1x05 s PHE 39 Cb -0.18 -0.62 -0.03 0.00 0.51 0.00 0.00 43.02 42.70 1x05 s PHE 39 CO 0.22 -0.41 -0.08 0.42 0.70 0.00 0.00 175.22 176.08 1x05 s ILE 40 N 2.15 3.60 -0.04 0.64 1.01 0.48 -2.60 121.20 126.44 1x05 s ILE 40 Ca 0.03 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.19 1x05 s ILE 40 Cb -0.15 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 1x05 s ILE 40 CO -0.07 0.57 -0.03 -0.22 0.00 0.00 0.00 174.94 175.19 1x05 s LEU 41 N -0.46 3.37 -0.04 2.97 2.96 -0.23 -0.29 118.68 126.96 1x05 s LEU 41 Ca 0.07 -0.00 -0.01 0.00 -0.22 0.00 0.00 54.13 53.96 1x05 s LEU 41 Cb -0.12 -1.84 0.03 0.00 0.50 0.00 0.00 46.19 44.76 1x05 s LEU 41 CO 0.02 0.33 0.04 -0.13 -1.32 0.00 0.00 176.35 175.28 1x05 s ARG 42 N -1.16 0.11 -0.15 1.98 0.52 0.55 -2.60 118.95 118.20 1x05 s ARG 42 Ca 0.16 0.25 -0.08 0.00 -0.52 0.00 0.00 55.73 55.54 1x05 s ARG 42 Cb -0.11 -0.55 -0.04 0.00 0.52 0.00 0.00 34.95 34.77 1x05 s ARG 42 CO 0.05 -0.27 0.13 -1.83 0.02 0.00 0.00 175.30 173.41 1x05 s GLU 43 N 1.79 3.71 -0.49 3.54 -1.05 -0.77 -0.23 118.70 125.20 1x05 s GLU 43 Ca 0.01 -0.17 -0.18 0.00 -0.15 0.00 0.00 54.97 54.48 1x05 s GLU 43 Cb -0.12 -3.27 0.02 0.00 -0.44 0.00 0.00 34.13 30.32 1x05 s GLU 43 CO -0.03 0.60 0.63 -3.47 0.95 0.00 0.00 175.26 173.93 1x05 n ASP 44 N 2.56 -7.35 -4.56 0.83 -0.08 -1.26 -3.40 116.55 103.28 1x05 n ASP 44 Ca -0.19 0.27 -0.29 0.00 -1.51 0.00 0.00 54.79 53.08 1x05 n ASP 44 Cb 0.54 -4.52 0.16 0.00 2.34 0.00 0.00 41.12 39.63 1x05 n ASP 44 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1x05 s PRO 45 N -2.71 0.76 -0.69 -0.67 0.04 -1.26 -3.87 135.00 126.60 1x05 s PRO 45 Ca 0.24 0.14 -0.16 0.00 0.04 0.00 0.00 61.00 61.26 1x05 s PRO 45 Cb -0.05 -1.81 0.15 0.00 0.04 0.00 0.00 34.50 32.83 1x05 s PRO 45 CO 0.79 -2.43 0.70 0.00 0.04 0.00 0.00 177.00 176.11 1x05 s ALA 46 N -3.33 3.70 0.05 8.56 0.00 -1.23 -4.67 121.76 124.84 1x05 s ALA 46 Ca 0.66 -2.74 -0.02 0.00 0.00 0.00 0.00 51.96 49.86 1x05 s ALA 46 Cb -0.13 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 1x05 s ALA 46 CO 0.54 -2.29 -0.00 0.71 0.00 0.00 0.00 175.76 174.72 1x05 s TYR 47 N 1.52 0.41 -0.20 0.00 2.02 0.68 -2.12 117.35 119.65 1x05 s TYR 47 Ca 0.13 -0.86 -0.02 0.00 -0.37 0.00 0.00 57.07 55.95 1x05 s TYR 47 Cb -0.20 -0.30 0.06 0.00 -0.40 0.00 0.00 41.96 41.12 1x05 s TYR 47 CO -0.01 -0.35 0.01 -1.17 -1.57 0.00 0.00 175.55 172.45 1x05 s LEU 48 N -2.53 1.56 0.15 -1.29 1.98 -1.13 -0.33 118.68 117.09 1x05 s LEU 48 Ca 0.01 -0.89 0.04 0.00 -2.89 0.00 0.00 54.13 50.40 1x05 s LEU 48 Cb 0.03 -0.77 -0.04 0.00 0.66 0.00 0.00 46.19 46.08 1x05 s LEU 48 CO -0.08 -0.28 0.18 -1.00 -1.89 0.00 0.00 176.35 173.29 1x05 s HIS 49 N 1.72 3.27 -0.11 5.38 3.76 0.61 -1.02 115.29 128.90 1x05 s HIS 49 Ca -0.02 0.04 -0.04 0.00 -0.15 0.00 0.00 55.06 54.88 1x05 s HIS 49 Cb -0.17 -1.57 0.06 0.00 1.11 0.00 0.00 32.58 32.00 1x05 s HIS 49 CO -0.07 0.52 0.23 1.52 -0.85 0.00 0.00 174.74 176.09 1x05 s TYR 50 N -1.71 -0.34 0.34 1.40 1.13 -1.16 0.18 117.35 117.19 1x05 s TYR 50 Ca 0.32 0.84 0.08 0.00 -1.41 0.00 0.00 57.07 56.90 1x05 s TYR 50 Cb -0.11 -0.06 -0.04 0.00 -1.10 0.00 0.00 41.96 40.65 1x05 s TYR 50 CO 0.25 -0.30 0.17 0.71 -2.51 0.00 0.00 175.55 173.87 1x05 s TYR 51 N 2.08 2.74 0.31 -3.49 1.51 -0.92 -0.41 117.35 119.18 1x05 s TYR 51 Ca -0.01 -0.37 -0.29 0.00 -1.01 0.00 0.00 57.07 55.39 1x05 s TYR 51 Cb -0.12 -1.68 -0.10 0.00 -0.11 0.00 0.00 41.96 39.95 1x05 s TYR 51 CO -0.08 0.30 1.27 0.34 -1.11 0.00 0.00 175.55 176.27 1x05 s ASP 52 N -3.88 6.88 -0.08 2.29 -1.08 -1.26 -0.77 116.67 118.77 1x05 s ASP 52 Ca 0.38 2.58 -0.27 0.00 -0.52 0.00 0.00 52.55 54.72 1x05 s ASP 52 Cb -0.03 -2.64 -0.23 0.00 -1.46 0.00 0.00 42.92 38.56 1x05 s ASP 52 CO 0.23 -0.45 1.02 1.55 0.52 0.00 0.00 175.17 178.04 1x05 h PRO 53 N 3.64 0.01 -0.96 4.34 0.13 -1.92 -3.26 132.00 133.98 1x05 h PRO 53 Ca -0.48 -0.01 0.29 0.00 -0.87 0.00 0.00 66.00 64.92 1x05 h PRO 53 Cb 1.22 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.18 1x05 h PRO 53 CO 0.67 0.76 0.18 0.00 -0.23 0.00 0.00 178.00 179.37 1x05 h ALA 54 N 0.26 1.38 0.00 -0.56 0.00 -1.92 -3.44 119.26 114.97 1x05 h ALA 54 Ca -0.00 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1x05 h ALA 54 Cb 0.76 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1x05 h ALA 54 CO 0.00 -0.62 0.00 0.41 0.00 0.00 0.00 179.25 179.05 1x05 n GLY 55 N -1.42 4.17 0.00 0.00 0.00 -1.23 -5.19 105.19 101.52 1x05 n GLY 55 Ca 0.25 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1x05 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 n ALA 56 N -0.84 0.00 0.00 4.61 0.00 -1.26 -4.86 120.51 118.16 1x05 n ALA 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x05 n ALA 56 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1x05 n ALA 56 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1x05 n GLU 57 N 0.00 0.00 -3.78 0.00 0.28 -1.26 -5.05 120.64 110.83 1x05 n GLU 57 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.69 1x05 n GLU 57 Cb 0.00 -0.05 -0.04 0.00 1.43 0.00 0.00 31.44 32.78 1x05 n GLU 57 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1x05 s ASP 58 N -2.21 6.44 0.04 -1.84 1.01 -1.26 -5.06 116.67 113.78 1x05 s ASP 58 Ca 0.00 0.46 -0.30 0.00 0.71 0.00 0.00 52.55 53.42 1x05 s ASP 58 Cb 0.00 -2.04 -0.05 0.00 1.01 0.00 0.00 42.92 41.84 1x05 s ASP 58 CO 0.00 0.11 1.18 -2.16 0.21 0.00 0.00 175.17 174.50 1x05 s PRO 59 N -2.56 4.43 0.57 8.23 0.04 -1.26 -4.62 135.00 139.84 1x05 s PRO 59 Ca 0.38 1.72 0.32 0.00 0.04 0.00 0.00 61.00 63.45 1x05 s PRO 59 Cb -0.13 -3.39 1.43 0.00 0.04 0.00 0.00 34.50 32.45 1x05 s PRO 59 CO 0.26 -0.27 1.78 -0.07 0.04 0.00 0.00 177.00 178.74 1x05 h LEU 60 N 7.03 0.00 0.00 -3.56 3.38 -1.08 -3.45 115.31 117.63 1x05 h LEU 60 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1x05 h LEU 60 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1x05 h LEU 60 CO 0.82 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.96 1x05 n GLY 61 N -1.64 -1.33 3.17 0.83 0.00 -1.24 -5.06 105.19 99.92 1x05 n GLY 61 Ca 0.17 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 1x05 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 s ALA 62 N -1.09 -0.13 -0.23 4.61 0.00 -1.26 -2.99 121.76 120.66 1x05 s ALA 62 Ca 0.00 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.34 1x05 s ALA 62 Cb 0.00 0.39 0.06 0.00 0.00 0.00 0.00 23.12 23.57 1x05 s ALA 62 CO 0.00 -0.44 -0.07 0.42 0.00 0.00 0.00 175.76 175.67 1x05 s ILE 63 N -3.49 1.66 0.19 0.00 1.01 -0.19 -4.96 121.20 115.42 1x05 s ILE 63 Ca 0.02 -1.27 -0.32 0.00 0.00 0.00 0.00 60.65 59.08 1x05 s ILE 63 Cb 0.04 -1.87 -0.12 0.00 0.01 0.00 0.00 42.46 40.51 1x05 s ILE 63 CO -0.09 -0.05 1.72 1.57 0.00 0.00 0.00 174.94 178.08 1x05 n HIS 64 N 4.63 2.68 -1.07 3.97 -0.00 -1.26 -2.83 115.22 121.34 1x05 n HIS 64 Ca -0.13 0.05 0.05 0.00 0.46 0.00 0.00 57.72 58.15 1x05 n HIS 64 Cb 0.44 -2.66 0.26 0.00 -0.12 0.00 0.00 29.99 27.91 1x05 n HIS 64 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1x05 n LEU 65 N 4.05 4.30 -4.57 0.27 4.77 -0.90 -4.38 117.00 120.53 1x05 n LEU 65 Ca 0.16 -3.16 -0.31 0.00 -0.03 0.00 0.00 56.01 52.67 1x05 n LEU 65 Cb 0.34 -0.59 -0.05 0.00 -2.33 0.00 0.00 43.42 40.79 1x05 n LEU 65 CO 0.64 0.78 1.55 -0.60 -1.33 0.00 0.00 177.39 178.43 1x05 s ARG 66 N -2.92 2.84 -0.07 3.23 3.00 -1.26 -2.99 118.95 120.77 1x05 s ARG 66 Ca 0.45 -1.12 0.00 0.00 -1.00 0.00 0.00 55.73 54.05 1x05 s ARG 66 Cb 0.37 -5.26 0.00 0.00 0.00 0.00 0.00 34.95 30.05 1x05 s ARG 66 CO 0.08 -3.44 0.00 0.41 0.00 0.00 0.00 175.30 172.35 1x05 n GLY 67 N 6.03 0.35 3.63 8.12 0.00 -1.26 -4.47 105.19 117.58 1x05 n GLY 67 Ca 0.44 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 1x05 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 s VAL 69 N -2.96 1.97 -0.03 0.00 1.01 0.51 -4.95 120.40 115.95 1x05 s VAL 69 Ca 0.68 -1.59 0.07 0.00 0.00 0.00 0.00 61.98 61.14 1x05 s VAL 69 Cb -0.15 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1x05 s VAL 69 CO 0.57 0.06 -0.25 -0.69 0.00 0.00 0.00 175.10 174.80 1x05 s VAL 70 N -1.05 2.00 0.34 2.92 1.01 -1.26 -0.96 120.40 123.39 1x05 s VAL 70 Ca 0.10 -1.06 -0.16 0.00 0.00 0.00 0.00 61.98 60.85 1x05 s VAL 70 Cb -0.10 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.65 1x05 s VAL 70 CO 0.05 0.56 0.73 0.28 0.00 0.00 0.00 175.10 176.71 1x05 s THR 71 N -0.41 0.00 0.31 3.92 -1.32 -0.05 -4.97 115.64 113.12 1x05 s THR 71 Ca 0.04 -1.07 0.09 0.00 -1.21 0.00 0.00 61.69 59.54 1x05 s THR 71 Cb -0.11 -2.54 -0.04 0.00 -1.51 0.00 0.00 72.50 68.30 1x05 s THR 71 CO 0.01 0.00 0.09 -0.44 -2.21 0.00 0.00 174.62 172.07 1x05 s SER 72 N -3.03 4.68 0.00 8.08 0.01 -1.26 -1.43 113.70 120.75 1x05 s SER 72 Ca 0.15 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1x05 s SER 72 Cb -0.05 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.38 1x05 s SER 72 CO 0.10 -0.18 0.00 1.33 0.41 0.00 0.00 173.24 174.90 1x05 n VAL 73 N -1.06 0.00 -1.93 3.43 0.24 -1.22 -4.27 118.33 113.52 1x05 n VAL 73 Ca -0.04 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.15 1x05 n VAL 73 Cb 0.60 -1.24 0.09 0.00 -1.47 0.00 0.00 33.84 31.82 1x05 n VAL 73 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1x05 n GLU 74 N 0.00 2.62 -1.46 7.34 0.28 -1.26 -4.95 120.64 123.21 1x05 n GLU 74 Ca 0.00 -3.73 -0.39 0.00 -0.16 0.00 0.00 57.16 52.88 1x05 n GLU 74 Cb 0.00 -1.91 -0.05 0.00 1.43 0.00 0.00 31.44 30.91 1x05 n GLU 74 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1x05 n SER 75 N -0.81 2.80 -0.07 -1.84 2.88 -1.26 -4.48 113.62 110.84 1x05 n SER 75 Ca 0.31 -2.70 -0.05 0.00 -1.33 0.00 0.00 58.87 55.10 1x05 n SER 75 Cb 0.86 -1.32 -0.02 0.00 -0.75 0.00 0.00 64.21 62.99 1x05 n SER 75 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1x05 n ASN 76 N 9.20 1.66 -3.83 -3.46 3.02 -1.26 -4.98 115.26 115.61 1x05 n ASN 76 Ca 0.49 0.52 -0.11 0.00 -0.03 0.00 0.00 54.58 55.45 1x05 n ASN 76 Cb 0.42 -0.80 -0.08 0.00 -0.61 0.00 0.00 39.78 38.70 1x05 n ASN 76 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1x05 s SER 77 N -5.57 -0.00 0.00 6.41 0.01 -1.26 -5.15 113.70 108.14 1x05 s SER 77 Ca -0.17 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1x05 s SER 77 Cb 0.02 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.55 1x05 s SER 77 CO 0.25 -0.55 0.00 -3.20 0.41 0.00 0.00 173.24 170.15 1x05 n ASN 78 N 0.76 0.00 0.00 2.44 2.85 -1.26 -5.12 115.26 114.93 1x05 n ASN 78 Ca -0.19 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.28 1x05 n ASN 78 Cb 0.59 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.61 1x05 n ASN 78 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x05 n GLY 79 N 0.00 3.23 1.02 8.20 0.00 -1.26 -4.55 105.19 111.83 1x05 n GLY 79 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1x05 n GLY 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1x05 n ARG 80 N 13.38 0.00 0.00 1.61 3.00 -1.26 -5.04 116.66 128.35 1x05 n ARG 80 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1x05 n ARG 80 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1x05 n ARG 80 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1x05 n LYS 81 N -2.84 0.00 -3.15 -0.14 4.76 -1.26 -4.92 118.16 110.61 1x05 n LYS 81 Ca 0.00 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.49 1x05 n LYS 81 Cb 0.00 -0.94 -0.01 0.00 -1.84 0.00 0.00 35.03 32.24 1x05 n LYS 81 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1x05 s SER 82 N -2.00 -0.73 -0.08 4.39 0.15 -1.26 -5.06 113.70 109.11 1x05 s SER 82 Ca 0.00 0.25 -0.08 0.00 0.70 0.00 0.00 55.95 56.81 1x05 s SER 82 Cb 0.00 1.53 -0.04 0.00 -1.71 0.00 0.00 66.02 65.80 1x05 s SER 82 CO 0.00 -0.14 -0.18 -0.62 1.20 0.00 0.00 173.24 173.51 1x05 n GLU 83 N 5.33 0.28 -3.78 5.44 -0.58 -1.26 -5.02 120.64 121.04 1x05 n GLU 83 Ca 0.02 0.12 -0.21 0.00 -0.42 0.00 0.00 57.16 56.66 1x05 n GLU 83 Cb 0.55 -0.98 -0.17 0.00 -0.57 0.00 0.00 31.44 30.26 1x05 n GLU 83 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1x05 s GLU 84 N -2.40 0.41 0.00 3.49 8.01 -1.26 -5.08 118.70 121.87 1x05 s GLU 84 Ca -0.16 0.16 0.00 0.00 0.01 0.00 0.00 54.97 54.98 1x05 s GLU 84 Cb 0.04 -0.79 0.00 0.00 -4.31 0.00 0.00 34.13 29.07 1x05 s GLU 84 CO 0.23 -0.28 0.00 0.39 0.01 0.00 0.00 175.26 175.61 1x05 n GLU 85 N 5.02 3.23 -2.78 1.61 1.02 -1.26 -4.96 120.64 122.52 1x05 n GLU 85 Ca -0.09 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.63 1x05 n GLU 85 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.89 1x05 n GLU 85 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1x05 s ASN 86 N -1.12 7.19 0.18 1.62 0.01 -1.26 -4.89 114.94 116.66 1x05 s ASN 86 Ca 0.00 1.45 0.01 0.00 -0.71 0.00 0.00 52.86 53.60 1x05 s ASN 86 Cb 0.00 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.09 1x05 s ASN 86 CO 0.00 -0.36 0.05 -0.76 -1.51 0.00 0.00 177.10 174.52 1x05 s LEU 87 N 1.67 1.83 -0.01 0.60 1.43 -1.26 -0.23 118.68 122.71 1x05 s LEU 87 Ca 0.46 -1.25 -0.19 0.00 -1.03 0.00 0.00 54.13 52.12 1x05 s LEU 87 Cb -0.18 0.10 0.04 0.00 0.03 0.00 0.00 46.19 46.17 1x05 s LEU 87 CO 0.19 -0.67 0.41 0.72 0.23 0.00 0.00 176.35 177.23 1x05 s PHE 88 N -3.83 -0.30 -0.02 0.29 -0.12 -1.00 -3.38 117.98 109.62 1x05 s PHE 88 Ca 0.28 0.44 -0.03 0.00 -0.05 0.00 0.00 56.93 57.57 1x05 s PHE 88 Cb 0.07 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.61 1x05 s PHE 88 CO 0.06 -0.48 0.18 -2.00 -0.05 0.00 0.00 175.22 172.93 1x05 s GLU 89 N -1.55 3.44 -0.22 1.99 2.12 -0.51 -3.00 118.70 120.96 1x05 s GLU 89 Ca -0.11 -0.30 -0.04 0.00 0.36 0.00 0.00 54.97 54.88 1x05 s GLU 89 Cb -0.03 -3.11 0.08 0.00 0.26 0.00 0.00 34.13 31.33 1x05 s GLU 89 CO 0.04 0.69 0.09 0.42 -0.54 0.00 0.00 175.26 175.96 1x05 s ILE 90 N -1.29 0.10 0.17 -3.70 1.01 -1.05 -0.87 121.20 115.57 1x05 s ILE 90 Ca 0.26 -0.52 -0.20 0.00 0.00 0.00 0.00 60.65 60.20 1x05 s ILE 90 Cb -0.13 -0.87 -0.08 0.00 0.01 0.00 0.00 42.46 41.40 1x05 s ILE 90 CO 0.17 -0.44 0.67 -0.63 0.00 0.00 0.00 174.94 174.71 1x05 s ILE 91 N 2.04 4.61 0.56 2.92 1.01 -0.14 -2.90 121.20 129.31 1x05 s ILE 91 Ca 0.04 1.27 0.07 0.00 0.00 0.00 0.00 60.65 62.03 1x05 s ILE 91 Cb -0.16 -3.90 0.06 0.00 0.01 0.00 0.00 42.46 38.47 1x05 s ILE 91 CO -0.19 0.34 0.53 0.42 0.00 0.00 0.00 174.94 176.05 1x05 s THR 92 N -1.36 1.75 -0.09 2.92 -4.23 -0.53 0.19 115.64 114.29 1x05 s THR 92 Ca 0.38 -1.34 0.28 0.00 -1.18 0.00 0.00 61.69 59.82 1x05 s THR 92 Cb -0.18 -2.08 0.28 0.00 1.34 0.00 0.00 72.50 71.86 1x05 s THR 92 CO 0.21 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.13 1x05 h ALA 93 N 0.54 1.00 -0.02 3.99 0.00 -1.78 0.42 119.26 123.40 1x05 h ALA 93 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1x05 h ALA 93 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1x05 h ALA 93 CO 0.52 0.00 -0.09 -3.47 0.00 0.00 0.00 179.25 176.21 1x05 n ASP 94 N -2.49 2.21 0.00 0.00 2.03 -1.26 -4.91 116.55 112.13 1x05 n ASP 94 Ca -0.01 -1.67 0.00 0.00 0.52 0.00 0.00 54.79 53.63 1x05 n ASP 94 Cb 0.12 0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 1x05 n ASP 94 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1x05 n GLU 95 N 0.61 -0.04 -1.98 -0.67 1.02 0.15 -4.98 120.64 114.74 1x05 n GLU 95 Ca 0.15 0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.88 1x05 n GLU 95 Cb 0.48 -2.83 -0.03 0.00 -0.02 0.00 0.00 31.44 29.04 1x05 n GLU 95 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1x05 s VAL 96 N -2.92 2.76 -0.04 2.62 1.01 -1.26 -4.60 120.40 117.98 1x05 s VAL 96 Ca 0.00 0.54 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 1x05 s VAL 96 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1x05 s VAL 96 CO 0.00 0.04 0.10 -1.00 0.00 0.00 0.00 175.10 174.25 1x05 s HIS 97 N 1.14 3.39 -0.02 5.22 3.76 -1.26 -1.45 115.29 126.07 1x05 s HIS 97 Ca 0.69 0.30 0.01 0.00 -0.15 0.00 0.00 55.06 55.91 1x05 s HIS 97 Cb -0.42 -1.80 0.01 0.00 1.11 0.00 0.00 32.58 31.47 1x05 s HIS 97 CO 0.31 0.60 -0.04 0.71 -0.85 0.00 0.00 174.74 175.47 1x05 s TYR 98 N -1.16 0.46 -0.35 1.40 2.02 -1.14 -4.95 117.35 113.63 1x05 s TYR 98 Ca 0.21 -0.08 -0.05 0.00 -0.37 0.00 0.00 57.07 56.78 1x05 s TYR 98 Cb -0.12 -0.38 0.06 0.00 -0.40 0.00 0.00 41.96 41.12 1x05 s TYR 98 CO 0.12 -0.07 0.11 -0.06 -1.57 0.00 0.00 175.55 174.07 1x05 s PHE 99 N 0.36 3.33 -0.10 2.71 0.08 -1.26 -2.52 117.98 120.59 1x05 s PHE 99 Ca -0.04 -1.76 0.02 0.00 0.12 0.00 0.00 56.93 55.27 1x05 s PHE 99 Cb -0.07 -2.48 -0.01 0.00 -0.57 0.00 0.00 43.02 39.88 1x05 s PHE 99 CO -0.00 -0.81 -0.16 -0.51 -0.10 0.00 0.00 175.22 173.63 1x05 s LEU 100 N 1.31 2.56 -0.23 -0.37 2.01 -1.16 -2.43 118.68 120.36 1x05 s LEU 100 Ca -0.00 -0.35 -0.14 0.00 0.01 0.00 0.00 54.13 53.65 1x05 s LEU 100 Cb -0.21 -1.54 -0.04 0.00 0.01 0.00 0.00 46.19 44.41 1x05 s LEU 100 CO 0.00 0.21 0.30 -1.58 1.01 0.00 0.00 176.35 176.29 1x05 s GLN 101 N 0.07 4.09 -0.06 1.70 0.74 -1.12 -2.38 119.66 122.69 1x05 s GLN 101 Ca -0.07 -0.02 -0.17 0.00 0.05 0.00 0.00 55.36 55.15 1x05 s GLN 101 Cb -0.15 -3.57 -0.05 0.00 1.10 0.00 0.00 33.01 30.34 1x05 s GLN 101 CO 0.05 -0.06 0.46 0.00 -0.55 0.00 0.00 175.29 175.18 1x05 s ALA 102 N 1.41 3.56 0.04 1.58 0.00 0.68 -3.72 121.76 125.31 1x05 s ALA 102 Ca 0.14 -0.18 -0.14 0.00 0.00 0.00 0.00 51.96 51.77 1x05 s ALA 102 Cb -0.15 -2.56 -0.06 0.00 0.00 0.00 0.00 23.12 20.36 1x05 s ALA 102 CO 0.07 0.19 1.23 0.00 0.00 0.00 0.00 175.76 177.25 1x05 h ALA 103 N 5.89 -0.73 -2.09 0.00 0.00 -1.89 -3.37 119.26 117.08 1x05 h ALA 103 Ca -0.45 -0.04 -0.46 0.00 0.00 0.00 0.00 54.91 53.96 1x05 h ALA 103 Cb 1.19 0.65 0.01 0.00 0.00 0.00 0.00 17.79 19.65 1x05 h ALA 103 CO 0.70 -0.78 -0.23 0.95 0.00 0.00 0.00 179.25 179.89 1x05 s THR 104 N -4.14 4.58 -0.94 0.00 -4.23 -1.26 -4.81 115.64 104.84 1x05 s THR 104 Ca -0.07 -0.66 0.22 0.00 -1.18 0.00 0.00 61.69 60.00 1x05 s THR 104 Cb 0.03 -3.65 0.19 0.00 1.34 0.00 0.00 72.50 70.41 1x05 s THR 104 CO 0.25 -0.37 1.70 -0.81 -0.54 0.00 0.00 174.62 174.85 1x05 n PRO 105 N -1.79 0.04 -0.01 3.99 -0.04 -1.26 -2.49 135.00 133.44 1x05 n PRO 105 Ca -0.03 0.16 -0.05 0.00 -0.04 0.00 0.00 63.50 63.54 1x05 n PRO 105 Cb 0.57 -1.55 -0.12 0.00 -0.04 0.00 0.00 33.50 32.36 1x05 n PRO 105 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1x05 n LYS 106 N -1.62 0.63 0.01 0.54 4.81 -1.26 -3.95 118.16 117.33 1x05 n LYS 106 Ca 0.05 0.24 -0.09 0.00 -0.87 0.00 0.00 58.31 57.64 1x05 n LYS 106 Cb 0.27 -1.78 0.07 0.00 0.02 0.00 0.00 35.03 33.61 1x05 n LYS 106 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1x05 h GLU 107 N 0.00 0.52 -0.54 1.64 4.81 -1.87 -1.82 114.58 117.31 1x05 h GLU 107 Ca -0.25 -0.32 0.02 0.00 -0.13 0.00 0.00 59.36 58.68 1x05 h GLU 107 Cb 1.85 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 31.23 1x05 h GLU 107 CO 0.06 0.93 0.33 -0.09 -0.73 0.00 0.00 179.01 179.51 1x05 h ARG 108 N 0.40 0.64 -0.35 1.92 2.43 -1.66 0.20 114.38 117.96 1x05 h ARG 108 Ca 0.01 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 1x05 h ARG 108 Cb 1.07 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 1x05 h ARG 108 CO 0.10 0.43 -0.27 1.15 -1.51 0.00 0.00 179.97 179.86 1x05 h THR 109 N 0.66 1.29 0.88 0.20 2.02 -1.66 -2.67 112.91 113.63 1x05 h THR 109 Ca 0.22 -1.43 -0.04 0.00 0.77 0.00 0.00 66.41 65.93 1x05 h THR 109 Cb 0.01 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1x05 h THR 109 CO -0.09 0.47 -0.49 -0.33 0.37 0.00 0.00 175.52 175.45 1x05 h GLU 110 N 0.58 -1.22 -0.58 6.66 5.08 -0.86 -1.24 114.58 123.01 1x05 h GLU 110 Ca 0.06 0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.57 1x05 h GLU 110 Cb 0.84 0.28 -0.09 0.00 0.50 0.00 0.00 28.75 30.28 1x05 h GLU 110 CO 0.07 -0.81 -0.54 -1.49 -1.00 0.00 0.00 179.01 175.25 1x05 h TRP 111 N -1.26 -1.67 -0.28 4.33 4.06 -0.68 1.62 115.95 122.07 1x05 h TRP 111 Ca -0.12 0.09 0.03 0.00 2.06 0.00 0.00 58.89 60.95 1x05 h TRP 111 Cb 0.99 0.80 -0.04 0.00 -1.00 0.00 0.00 29.16 29.92 1x05 h TRP 111 CO -0.06 -0.42 -0.19 0.82 -3.56 0.00 0.00 178.44 175.03 1x05 h ILE 112 N -0.25 0.00 -0.69 1.49 2.04 -1.35 1.77 117.51 120.53 1x05 h ILE 112 Ca 0.10 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.14 1x05 h ILE 112 Cb 0.50 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 1x05 h ILE 112 CO -0.67 0.00 0.49 0.11 0.00 0.00 0.00 178.15 178.08 1x05 h LYS 113 N -0.02 0.08 0.43 2.37 1.57 0.04 0.27 116.57 121.31 1x05 h LYS 113 Ca 0.05 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1x05 h LYS 113 Cb 0.14 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1x05 h LYS 113 CO -0.28 0.05 -0.21 0.00 -0.57 0.00 0.00 179.45 178.44 1x05 h ALA 114 N 1.66 -0.58 -0.73 3.86 0.00 1.33 0.16 119.26 124.96 1x05 h ALA 114 Ca 0.33 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1x05 h ALA 114 Cb 1.21 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 1x05 h ALA 114 CO -0.03 -0.68 0.48 0.82 0.00 0.00 0.00 179.25 179.84 1x05 h ILE 115 N -0.89 1.03 0.12 0.00 2.04 0.34 -1.95 117.51 118.20 1x05 h ILE 115 Ca -0.06 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1x05 h ILE 115 Cb 0.57 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1x05 h ILE 115 CO 0.10 0.14 -0.06 1.56 0.00 0.00 0.00 178.15 179.89 1x05 h GLN 116 N 0.78 -0.15 -0.91 2.37 4.20 -0.37 -0.30 115.11 120.73 1x05 h GLN 116 Ca 0.31 0.01 0.22 0.00 0.06 0.00 0.00 58.65 59.25 1x05 h GLN 116 Cb 0.23 0.03 -0.12 0.00 0.30 0.00 0.00 27.48 27.92 1x05 h GLN 116 CO -0.10 0.07 0.43 0.00 -0.67 0.00 0.00 178.83 178.56 1x05 h MET 117 N -0.36 0.43 0.21 1.46 -0.00 0.06 1.52 114.93 118.25 1x05 h MET 117 Ca -0.02 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.70 59.65 1x05 h MET 117 Cb 0.29 -0.10 0.00 0.00 -0.00 0.00 0.00 31.60 31.80 1x05 h MET 117 CO 0.03 0.29 -0.10 0.00 -0.00 0.00 0.00 176.91 177.12 1x05 h ALA 118 N 1.70 -0.60 -1.01 -3.00 0.00 -1.22 -2.91 119.26 112.23 1x05 h ALA 118 Ca 0.57 -0.06 0.29 0.00 0.00 0.00 0.00 54.91 55.71 1x05 h ALA 118 Cb 1.06 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1x05 h ALA 118 CO -0.51 -0.58 0.78 1.03 0.00 0.00 0.00 179.25 179.98 1x05 h SER 119 N -0.47 0.00 -0.35 0.00 0.87 -0.59 0.45 113.55 113.45 1x05 h SER 119 Ca -0.03 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1x05 h SER 119 Cb 0.22 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 1x05 h SER 119 CO 0.05 0.00 0.22 0.03 -0.53 0.00 0.00 176.83 176.59 1x05 h ARG 120 N 0.00 0.48 -5.53 2.24 2.47 0.22 -3.41 114.38 110.85 1x05 h ARG 120 Ca 0.48 -0.04 -0.61 0.00 -1.26 0.00 0.00 59.98 58.55 1x05 h ARG 120 Cb 2.03 -0.10 0.11 0.00 -1.65 0.00 0.00 29.97 30.36 1x05 h ARG 120 CO -0.01 0.35 -0.60 -2.37 0.56 0.00 0.00 179.97 177.91 1x05 n THR 121 N -4.81 1.49 -3.81 2.04 5.66 0.16 -4.91 114.28 110.09 1x05 n THR 121 Ca -0.00 -0.46 -0.36 0.00 -3.05 0.00 0.00 64.05 60.17 1x05 n THR 121 Cb 0.05 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.70 1x05 n THR 121 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1x05 s GLY 122 N -0.92 1.73 -0.46 1.09 0.00 -1.26 -4.99 107.32 102.50 1x05 s GLY 122 Ca 0.58 -1.38 -0.43 0.00 0.00 0.00 0.00 44.72 43.49 1x05 s GLY 122 CO 0.53 0.59 2.08 1.17 0.00 0.00 0.00 173.10 177.46 1x05 n LYS 123 N 4.83 0.25 -3.49 2.90 3.00 -1.26 -4.86 118.16 119.53 1x05 n LYS 123 Ca -0.15 0.07 -0.42 0.00 -0.00 0.00 0.00 58.31 57.81 1x05 n LYS 123 Cb 0.49 -1.71 -0.08 0.00 0.00 0.00 0.00 35.03 33.73 1x05 n LYS 123 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1x05 s SER 124 N 5.82 5.84 0.16 3.14 0.01 -1.26 -5.07 113.70 122.35 1x05 s SER 124 Ca 1.16 -1.76 0.00 0.00 1.31 0.00 0.00 55.95 56.66 1x05 s SER 124 Cb -1.36 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 62.80 1x05 s SER 124 CO 0.65 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 174.20 1x05 n GLY 125 N 5.02 -0.40 0.17 3.44 0.00 -1.26 -5.00 105.19 107.15 1x05 n GLY 125 Ca -0.10 -1.70 -0.18 0.00 0.00 0.00 0.00 46.02 44.04 1x05 n GLY 125 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x05 h PRO 126 N 0.00 0.57 -3.72 1.61 0.13 -2.05 -3.50 132.00 125.04 1x05 h PRO 126 Ca 0.00 -0.56 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1x05 h PRO 126 Cb 0.00 0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.27 1x05 h PRO 126 CO 0.00 1.18 -0.90 0.43 -0.23 0.00 0.00 178.00 178.48 1x05 n SER 127 N -4.08 -8.67 -3.55 1.44 7.64 -1.26 -4.97 113.62 100.17 1x05 n SER 127 Ca -0.10 1.24 -0.29 0.00 1.01 0.00 0.00 58.87 60.73 1x05 n SER 127 Cb 0.73 -4.74 -0.14 0.00 -1.01 0.00 0.00 64.21 59.05 1x05 n SER 127 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x05 s SER 128 N -3.02 3.41 0.00 6.43 0.01 -1.26 -5.31 113.70 113.96 1x05 s SER 128 Ca 0.00 -1.74 0.00 0.00 1.31 0.00 0.00 55.95 55.52 1x05 s SER 128 Cb 0.00 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.75 1x05 s SER 128 CO 0.00 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.88