#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x05 n SER 2 N 0.00 -6.94 0.08 1.61 2.88 -1.26 -5.05 113.62 104.94 1x05 n SER 2 Ca 0.00 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 1x05 n SER 2 Cb 0.00 -4.09 0.00 0.00 -0.75 0.00 0.00 64.21 59.37 1x05 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x05 n SER 3 N -4.01 -1.39 -1.85 -3.46 2.88 -1.26 -5.15 113.62 99.37 1x05 n SER 3 Ca -0.06 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 1x05 n SER 3 Cb 0.58 1.61 0.00 0.00 -0.75 0.00 0.00 64.21 65.64 1x05 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x05 n GLY 4 N -1.19 2.74 6.18 0.46 0.00 -1.26 -4.83 105.19 107.29 1x05 n GLY 4 Ca 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.87 1x05 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x05 n SER 5 N -2.19 0.00 -4.70 1.61 7.64 -1.26 -4.47 113.62 110.25 1x05 n SER 5 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 1x05 n SER 5 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1x05 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x05 s SER 6 N -4.00 5.79 -0.05 6.43 1.04 -1.26 -5.09 113.70 116.57 1x05 s SER 6 Ca 0.00 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1x05 s SER 6 Cb 0.00 -1.93 0.03 0.00 0.10 0.00 0.00 66.02 64.21 1x05 s SER 6 CO 0.00 0.25 -0.01 -0.83 0.98 0.00 0.00 173.24 173.63 1x05 s GLY 7 N -0.08 0.37 0.11 7.32 0.00 -1.26 -4.50 107.32 109.28 1x05 s GLY 7 Ca 0.07 0.02 0.04 0.00 0.00 0.00 0.00 44.72 44.85 1x05 s GLY 7 CO 0.01 0.72 0.11 0.14 0.00 0.00 0.00 173.10 174.08 1x05 s VAL 8 N 1.29 4.56 0.71 1.40 1.01 -1.26 -5.07 120.40 123.04 1x05 s VAL 8 Ca -0.06 -0.87 -0.17 0.00 0.00 0.00 0.00 61.98 60.88 1x05 s VAL 8 Cb -0.13 -3.25 -0.15 0.00 0.00 0.00 0.00 36.38 32.85 1x05 s VAL 8 CO -0.02 0.03 -0.42 -0.38 0.00 0.00 0.00 175.10 174.31 1x05 n ILE 9 N 0.12 0.00 -3.63 2.22 5.41 -1.26 -4.95 119.36 117.27 1x05 n ILE 9 Ca -0.08 -0.50 -0.29 0.00 1.00 0.00 0.00 62.75 62.88 1x05 n ILE 9 Cb 0.53 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 39.32 1x05 n ILE 9 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1x05 s LEU 10 N 6.27 1.57 0.92 1.39 1.98 -1.26 -5.12 118.68 124.43 1x05 s LEU 10 Ca 0.49 -1.75 -0.15 0.00 -2.89 0.00 0.00 54.13 49.83 1x05 s LEU 10 Cb -0.36 -0.65 -0.07 0.00 0.66 0.00 0.00 46.19 45.77 1x05 s LEU 10 CO 0.73 -0.39 -0.18 0.29 -1.89 0.00 0.00 176.35 174.91 1x05 n LYS 11 N 4.67 -0.08 -0.07 1.98 5.02 -1.26 -4.86 118.16 123.57 1x05 n LYS 11 Ca 0.00 -0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1x05 n LYS 11 Cb 0.40 -1.40 -0.10 0.00 -0.02 0.00 0.00 35.03 33.91 1x05 n LYS 11 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1x05 h GLU 12 N -1.08 0.00 0.00 1.97 5.08 -2.00 -3.08 114.58 115.47 1x05 h GLU 12 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1x05 h GLU 12 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1x05 h GLU 12 CO 0.30 0.80 0.11 1.05 -1.00 0.00 0.00 179.01 180.27 1x05 h GLU 13 N -1.00 0.00 -0.42 2.33 9.09 -2.03 0.92 114.58 123.48 1x05 h GLU 13 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1x05 h GLU 13 Cb 0.80 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.90 1x05 h GLU 13 CO -0.00 0.00 0.00 1.19 0.05 0.00 0.00 179.01 180.25 1x05 n PHE 14 N -2.46 0.54 -0.61 2.06 3.72 -1.23 -4.64 117.46 114.85 1x05 n PHE 14 Ca -0.02 -0.29 -0.19 0.00 -0.05 0.00 0.00 57.45 56.90 1x05 n PHE 14 Cb 0.15 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.67 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 1.42 1.61 -0.16 -1.08 5.12 0.32 -4.63 116.66 119.26 1x05 n ARG 15 Ca 0.19 -1.28 0.00 0.00 -1.93 0.00 0.00 57.85 54.83 1x05 n ARG 15 Cb 0.58 -2.38 0.00 0.00 -1.16 0.00 0.00 32.46 29.50 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 3.86 2.15 3.41 -0.13 0.00 -1.23 -3.82 105.19 109.43 1x05 n GLY 16 Ca 0.36 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.67 1.21 0.48 1.61 0.11 -1.25 -5.00 120.40 114.90 1x05 s VAL 17 Ca 0.00 -2.03 -0.00 0.00 -2.93 0.00 0.00 61.98 57.02 1x05 s VAL 17 Cb 0.00 -2.62 0.00 0.00 -1.53 0.00 0.00 36.38 32.23 1x05 s VAL 17 CO 0.00 -0.13 0.71 -0.63 -3.33 0.00 0.00 175.10 171.72 1x05 s ILE 18 N -3.29 3.78 0.00 7.04 1.01 -1.26 -2.58 121.20 125.90 1x05 s ILE 18 Ca 0.33 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.52 1x05 s ILE 18 Cb 0.07 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 39.13 1x05 s ILE 18 CO 0.13 -0.30 0.00 2.30 0.00 0.00 0.00 174.94 177.07 1x05 n ILE 19 N -2.17 0.00 -3.83 2.92 -0.00 -0.85 -4.85 119.36 110.58 1x05 n ILE 19 Ca 0.03 0.00 -0.12 0.00 -0.00 0.00 0.00 62.75 62.66 1x05 n ILE 19 Cb 0.58 -0.51 -0.10 0.00 -0.00 0.00 0.00 39.64 39.61 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 -1.67 0.46 0.07 6.28 2.20 -1.25 -5.06 119.74 120.77 1x05 s LYS 20 Ca 0.00 -0.19 -0.09 0.00 -0.36 0.00 0.00 55.97 55.33 1x05 s LYS 20 Cb 0.00 0.20 -0.00 0.00 -1.51 0.00 0.00 37.83 36.52 1x05 s LYS 20 CO 0.00 -0.11 0.18 -0.65 -0.36 0.00 0.00 175.35 174.41 1x05 s GLN 21 N -1.01 0.76 0.00 4.03 -0.21 -1.26 -1.67 119.66 120.30 1x05 s GLN 21 Ca -0.11 -0.82 0.00 0.00 0.02 0.00 0.00 55.36 54.45 1x05 s GLN 21 Cb -0.06 0.31 0.00 0.00 1.00 0.00 0.00 33.01 34.26 1x05 s GLN 21 CO 0.02 -0.23 0.00 0.41 -2.12 0.00 0.00 175.29 173.37 1x05 n GLY 22 N 0.28 -0.42 3.88 3.09 0.00 -1.13 -5.04 105.19 105.87 1x05 n GLY 22 Ca -0.17 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.47 2.10 -0.55 0.00 1.43 0.29 -4.85 118.68 115.62 1x05 s LEU 24 Ca 0.23 -1.16 -0.13 0.00 -1.03 0.00 0.00 54.13 52.04 1x05 s LEU 24 Cb -0.13 -0.00 0.14 0.00 0.03 0.00 0.00 46.19 46.23 1x05 s LEU 24 CO 0.12 -0.59 0.47 -0.76 0.23 0.00 0.00 176.35 175.82 1x05 s LEU 25 N -3.14 6.03 -0.14 1.79 2.01 -1.25 -0.77 118.68 123.21 1x05 s LEU 25 Ca 0.23 -1.98 -0.19 0.00 0.01 0.00 0.00 54.13 52.19 1x05 s LEU 25 Cb 0.06 -2.12 -0.04 0.00 0.01 0.00 0.00 46.19 44.11 1x05 s LEU 25 CO 0.03 -0.74 0.53 -0.75 1.01 0.00 0.00 176.35 176.42 1x05 s LYS 26 N 1.28 4.30 -0.30 1.70 2.20 -1.15 -2.95 119.74 124.83 1x05 s LYS 26 Ca 0.06 0.51 -0.12 0.00 -0.36 0.00 0.00 55.97 56.06 1x05 s LYS 26 Cb -0.26 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.54 1x05 s LYS 26 CO -0.00 0.03 0.21 -0.65 -0.36 0.00 0.00 175.35 174.59 1x05 s GLN 27 N 1.01 3.80 0.00 4.03 -0.21 -1.06 -3.83 119.66 123.40 1x05 s GLN 27 Ca 0.27 -0.42 0.00 0.00 0.02 0.00 0.00 55.36 55.23 1x05 s GLN 27 Cb -0.16 -3.71 0.00 0.00 1.00 0.00 0.00 33.01 30.15 1x05 s GLN 27 CO 0.11 -0.27 0.00 0.41 -2.12 0.00 0.00 175.29 173.42 1x05 n GLY 28 N 5.07 2.18 2.78 3.09 0.00 -1.26 -4.63 105.19 112.42 1x05 n GLY 28 Ca -0.13 -1.13 -0.27 0.00 0.00 0.00 0.00 46.02 44.49 1x05 n GLY 28 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1x05 n HIS 29 N 0.00 3.87 -0.08 1.61 1.44 -1.26 -4.73 115.22 116.06 1x05 n HIS 29 Ca 0.00 -4.04 -0.11 0.00 -2.01 0.00 0.00 57.72 51.57 1x05 n HIS 29 Cb 0.00 -0.51 -0.07 0.00 0.12 0.00 0.00 29.99 29.53 1x05 n HIS 29 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1x05 n ARG 30 N 0.06 0.49 -2.38 -1.40 1.74 -1.26 -5.09 116.66 108.82 1x05 n ARG 30 Ca 0.31 0.08 -0.02 0.00 -0.77 0.00 0.00 57.85 57.45 1x05 n ARG 30 Cb 0.40 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 1x05 n ARG 30 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1x05 n ARG 31 N -2.93 -2.12 0.00 5.56 0.00 -1.26 -4.95 116.66 110.96 1x05 n ARG 31 Ca -0.27 1.91 0.00 0.00 -0.00 0.00 0.00 57.85 59.49 1x05 n ARG 31 Cb 0.80 -4.21 0.00 0.00 0.00 0.00 0.00 32.46 29.05 1x05 n ARG 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1x05 n LYS 32 N 0.13 0.00 -3.89 -0.14 4.81 -1.26 -5.16 118.16 112.66 1x05 n LYS 32 Ca 0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.46 1x05 n LYS 32 Cb 0.13 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.20 1x05 n LYS 32 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1x05 s ASN 33 N 0.00 -0.01 0.58 3.14 2.47 -1.26 -5.17 114.94 114.69 1x05 s ASN 33 Ca 0.00 -0.54 -0.08 0.00 0.42 0.00 0.00 52.86 52.67 1x05 s ASN 33 Cb 0.00 0.41 -0.02 0.00 -1.45 0.00 0.00 41.25 40.19 1x05 s ASN 33 CO 0.00 -0.81 0.93 0.26 -3.72 0.00 0.00 177.10 173.76 1x05 s TRP 34 N -2.21 3.48 -0.07 0.43 0.52 -1.26 -4.92 118.94 114.91 1x05 s TRP 34 Ca 0.23 0.94 0.02 0.00 0.02 0.00 0.00 56.10 57.31 1x05 s TRP 34 Cb -0.02 -2.63 0.01 0.00 -1.15 0.00 0.00 33.47 29.68 1x05 s TRP 34 CO 0.03 -0.65 -0.13 0.21 0.02 0.00 0.00 176.95 176.43 1x05 s LYS 35 N -5.02 1.77 0.19 4.98 2.20 -1.25 -5.03 119.74 117.58 1x05 s LYS 35 Ca 0.53 -0.43 -0.30 0.00 -0.36 0.00 0.00 55.97 55.40 1x05 s LYS 35 Cb -0.11 -1.47 -0.08 0.00 -1.51 0.00 0.00 37.83 34.67 1x05 s LYS 35 CO 0.49 0.02 1.20 0.08 -0.36 0.00 0.00 175.35 176.77 1x05 s VAL 36 N 0.69 3.55 0.09 4.02 1.01 -1.26 -2.92 120.40 125.59 1x05 s VAL 36 Ca -0.14 1.32 -0.13 0.00 0.00 0.00 0.00 61.98 63.02 1x05 s VAL 36 Cb -0.16 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.40 1x05 s VAL 36 CO 0.03 0.21 0.31 -0.13 0.00 0.00 0.00 175.10 175.53 1x05 s ARG 37 N -0.28 0.93 0.08 2.72 0.52 0.05 -4.57 118.95 118.40 1x05 s ARG 37 Ca 0.53 -0.73 -0.20 0.00 -0.52 0.00 0.00 55.73 54.81 1x05 s ARG 37 Cb -0.33 0.40 -0.07 0.00 0.52 0.00 0.00 34.95 35.47 1x05 s ARG 37 CO 0.37 -0.33 0.59 0.21 0.02 0.00 0.00 175.30 176.16 1x05 s LYS 38 N -3.48 4.25 -0.13 3.54 2.47 0.28 0.10 119.74 126.76 1x05 s LYS 38 Ca 0.01 0.78 -0.02 0.00 -1.56 0.00 0.00 55.97 55.18 1x05 s LYS 38 Cb 0.02 -3.25 0.05 0.00 -1.46 0.00 0.00 37.83 33.19 1x05 s LYS 38 CO -0.09 0.62 0.03 -0.06 0.16 0.00 0.00 175.35 176.01 1x05 s PHE 39 N -1.08 0.77 -0.14 4.03 0.08 0.79 -0.94 117.98 121.49 1x05 s PHE 39 Ca 0.30 -0.48 -0.03 0.00 0.12 0.00 0.00 56.93 56.84 1x05 s PHE 39 Cb -0.20 -0.88 -0.03 0.00 -0.57 0.00 0.00 43.02 41.34 1x05 s PHE 39 CO 0.20 -0.47 -0.03 0.42 -0.10 0.00 0.00 175.22 175.24 1x05 s ILE 40 N 1.94 3.95 -0.10 0.64 1.01 0.51 -2.82 121.20 126.33 1x05 s ILE 40 Ca 0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 1x05 s ILE 40 Cb -0.15 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 1x05 s ILE 40 CO -0.07 0.51 -0.04 -0.22 0.00 0.00 0.00 174.94 175.12 1x05 s LEU 41 N 0.14 3.28 -0.05 2.97 2.96 -0.67 0.47 118.68 127.78 1x05 s LEU 41 Ca -0.01 -0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1x05 s LEU 41 Cb -0.14 -1.74 0.03 0.00 0.50 0.00 0.00 46.19 44.84 1x05 s LEU 41 CO 0.03 0.31 0.08 0.00 -1.32 0.00 0.00 176.35 175.45 1x05 s ARG 42 N -0.47 -0.01 -0.07 1.98 1.70 -0.61 -2.00 118.95 119.48 1x05 s ARG 42 Ca 0.07 0.33 -0.05 0.00 -0.47 0.00 0.00 55.73 55.62 1x05 s ARG 42 Cb -0.12 -0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 33.92 1x05 s ARG 42 CO 0.02 -0.23 0.14 -1.83 -1.08 0.00 0.00 175.30 172.33 1x05 s GLU 43 N 1.54 3.38 -0.55 3.89 4.04 -1.06 -0.97 118.70 128.97 1x05 s GLU 43 Ca -0.04 -0.24 -0.12 0.00 0.04 0.00 0.00 54.97 54.61 1x05 s GLU 43 Cb -0.12 -3.11 0.02 0.00 0.02 0.00 0.00 34.13 30.94 1x05 s GLU 43 CO -0.04 0.73 0.64 -3.47 -1.84 0.00 0.00 175.26 171.27 1x05 n ASP 44 N 1.55 -7.61 -4.79 0.83 2.03 -1.26 -3.77 116.55 103.52 1x05 n ASP 44 Ca -0.16 0.23 -0.29 0.00 0.52 0.00 0.00 54.79 55.09 1x05 n ASP 44 Cb 0.54 -4.95 0.13 0.00 -0.72 0.00 0.00 41.12 36.11 1x05 n ASP 44 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1x05 s PRO 45 N -2.82 1.26 -0.67 -0.67 0.04 -1.25 -3.57 135.00 127.33 1x05 s PRO 45 Ca 0.17 0.33 -0.18 0.00 0.04 0.00 0.00 61.00 61.37 1x05 s PRO 45 Cb -0.04 -1.85 0.13 0.00 0.04 0.00 0.00 34.50 32.78 1x05 s PRO 45 CO 0.78 -2.12 0.74 0.00 0.04 0.00 0.00 177.00 176.43 1x05 s ALA 46 N -3.26 3.56 0.01 8.56 0.00 -1.25 -4.71 121.76 124.67 1x05 s ALA 46 Ca 0.63 -2.53 -0.14 0.00 0.00 0.00 0.00 51.96 49.93 1x05 s ALA 46 Cb -0.15 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.44 1x05 s ALA 46 CO 0.53 -2.37 0.29 0.71 0.00 0.00 0.00 175.76 174.93 1x05 s TYR 47 N 2.09 -0.12 -0.25 0.00 2.02 -0.14 -2.57 117.35 118.38 1x05 s TYR 47 Ca 0.14 0.09 -0.01 0.00 -0.37 0.00 0.00 57.07 56.92 1x05 s TYR 47 Cb -0.20 0.08 0.03 0.00 -0.40 0.00 0.00 41.96 41.47 1x05 s TYR 47 CO 0.01 -0.44 -0.07 -1.17 -1.57 0.00 0.00 175.55 172.31 1x05 s LEU 48 N -1.69 3.18 -0.20 -1.29 1.98 -1.03 -1.57 118.68 118.05 1x05 s LEU 48 Ca -0.09 -0.92 -0.06 0.00 -2.89 0.00 0.00 54.13 50.16 1x05 s LEU 48 Cb -0.03 -1.65 -0.03 0.00 0.66 0.00 0.00 46.19 45.14 1x05 s LEU 48 CO 0.00 -0.13 0.04 -1.00 -1.89 0.00 0.00 176.35 173.37 1x05 s HIS 49 N 1.30 3.12 -0.08 5.38 3.76 0.18 -1.46 115.29 127.49 1x05 s HIS 49 Ca -0.01 -0.24 0.04 0.00 -0.15 0.00 0.00 55.06 54.70 1x05 s HIS 49 Cb -0.17 -2.11 -0.00 0.00 1.11 0.00 0.00 32.58 31.41 1x05 s HIS 49 CO -0.05 -0.12 -0.21 1.52 -0.85 0.00 0.00 174.74 175.03 1x05 s TYR 50 N 0.90 2.24 0.29 1.40 1.13 -1.24 0.19 117.35 122.25 1x05 s TYR 50 Ca 0.03 -0.82 0.11 0.00 -1.41 0.00 0.00 57.07 54.98 1x05 s TYR 50 Cb -0.14 -1.51 -0.05 0.00 -1.10 0.00 0.00 41.96 39.16 1x05 s TYR 50 CO 0.02 -0.32 -0.16 0.71 -2.51 0.00 0.00 175.55 173.29 1x05 s TYR 51 N 0.25 2.35 0.39 -3.49 1.51 -0.12 -1.67 117.35 116.58 1x05 s TYR 51 Ca -0.13 -0.34 -0.26 0.00 -1.01 0.00 0.00 57.07 55.34 1x05 s TYR 51 Cb -0.16 -1.06 -0.09 0.00 -0.11 0.00 0.00 41.96 40.54 1x05 s TYR 51 CO 0.06 0.69 1.18 0.34 -1.11 0.00 0.00 175.55 176.71 1x05 s ASP 52 N -3.54 6.56 -0.08 2.29 -1.08 -1.26 -0.56 116.67 118.99 1x05 s ASP 52 Ca 0.31 2.37 -0.27 0.00 -0.52 0.00 0.00 52.55 54.43 1x05 s ASP 52 Cb -0.04 -2.62 -0.23 0.00 -1.46 0.00 0.00 42.92 38.57 1x05 s ASP 52 CO 0.16 -0.65 1.01 1.55 0.52 0.00 0.00 175.17 177.76 1x05 h PRO 53 N 2.73 0.00 -1.31 4.34 0.13 -1.92 -3.21 132.00 132.76 1x05 h PRO 53 Ca -0.49 -0.00 0.41 0.00 -0.87 0.00 0.00 66.00 65.05 1x05 h PRO 53 Cb 1.23 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.25 1x05 h PRO 53 CO 0.63 0.75 0.86 0.00 -0.23 0.00 0.00 178.00 180.01 1x05 h ALA 54 N 0.25 2.75 0.00 -0.56 0.00 -1.93 -3.44 119.26 116.33 1x05 h ALA 54 Ca -0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1x05 h ALA 54 Cb 0.75 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1x05 h ALA 54 CO 0.00 -1.33 0.00 0.41 0.00 0.00 0.00 179.25 178.33 1x05 n GLY 55 N -1.55 4.31 3.85 0.00 0.00 -1.21 -5.19 105.19 105.39 1x05 n GLY 55 Ca 0.35 -0.98 0.04 0.00 0.00 0.00 0.00 46.02 45.44 1x05 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 s ALA 56 N -1.99 -2.70 0.11 4.61 0.00 -1.26 -4.65 121.76 115.87 1x05 s ALA 56 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1x05 s ALA 56 Cb 0.00 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.80 1x05 s ALA 56 CO 0.00 -1.14 0.00 -1.91 0.00 0.00 0.00 175.76 172.71 1x05 n GLU 57 N -0.80 0.00 -3.16 0.00 4.07 -1.26 -5.01 120.64 114.48 1x05 n GLU 57 Ca 0.00 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.81 1x05 n GLU 57 Cb 0.60 -0.42 -0.03 0.00 -0.06 0.00 0.00 31.44 31.54 1x05 n GLU 57 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1x05 s ASP 58 N -5.68 6.46 -0.02 4.31 1.11 -1.26 -5.04 116.67 116.55 1x05 s ASP 58 Ca 0.00 0.85 -0.30 0.00 0.18 0.00 0.00 52.55 53.28 1x05 s ASP 58 Cb 0.00 -2.20 -0.04 0.00 1.07 0.00 0.00 42.92 41.75 1x05 s ASP 58 CO 0.00 -0.27 1.21 -2.16 1.18 0.00 0.00 175.17 175.12 1x05 s PRO 59 N -3.70 4.37 0.57 8.23 0.04 -1.26 -4.83 135.00 138.43 1x05 s PRO 59 Ca 0.46 1.71 0.39 0.00 0.04 0.00 0.00 61.00 63.61 1x05 s PRO 59 Cb -0.11 -3.50 1.45 0.00 0.04 0.00 0.00 34.50 32.39 1x05 s PRO 59 CO 0.31 -0.39 1.58 -0.07 0.04 0.00 0.00 177.00 178.46 1x05 h LEU 60 N 7.79 0.00 0.00 -3.56 3.38 -1.70 -3.44 115.31 117.77 1x05 h LEU 60 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1x05 h LEU 60 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1x05 h LEU 60 CO 0.86 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.00 1x05 n GLY 61 N -1.80 -1.02 2.99 0.83 0.00 -1.26 -5.06 105.19 99.87 1x05 n GLY 61 Ca 0.32 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.00 -0.03 -0.16 4.61 0.00 -1.26 -3.72 121.76 120.20 1x05 s ALA 62 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 51.96 51.61 1x05 s ALA 62 Cb 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 1x05 s ALA 62 CO 0.00 -0.14 -0.06 0.42 0.00 0.00 0.00 175.76 175.98 1x05 s ILE 63 N -1.09 3.61 0.11 0.00 1.01 -0.53 -4.91 121.20 119.39 1x05 s ILE 63 Ca -0.12 -0.45 -0.31 0.00 0.00 0.00 0.00 60.65 59.77 1x05 s ILE 63 Cb -0.07 -2.58 -0.09 0.00 0.01 0.00 0.00 42.46 39.73 1x05 s ILE 63 CO -0.00 0.49 1.67 -2.28 0.00 0.00 0.00 174.94 174.81 1x05 s HIS 64 N 0.53 2.54 -0.02 3.97 5.65 -1.26 -2.46 115.29 124.24 1x05 s HIS 64 Ca -0.04 0.33 0.01 0.00 0.25 0.00 0.00 55.06 55.61 1x05 s HIS 64 Cb -0.15 -4.00 -0.02 0.00 -1.18 0.00 0.00 32.58 27.24 1x05 s HIS 64 CO 0.03 -3.96 -0.00 1.28 -0.65 0.00 0.00 174.74 171.44 1x05 n LEU 65 N 5.16 1.36 -0.19 8.88 4.77 -1.06 -4.26 117.00 131.66 1x05 n LEU 65 Ca 0.16 -0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.23 1x05 n LEU 65 Cb 0.39 -0.01 0.20 0.00 -2.33 0.00 0.00 43.42 41.67 1x05 n LEU 65 CO 0.63 0.26 0.47 0.54 -1.33 0.00 0.00 177.39 177.96 1x05 n ARG 66 N -2.28 -0.04 -3.08 3.23 1.74 -1.16 -0.53 116.66 114.54 1x05 n ARG 66 Ca -0.03 0.81 -0.18 0.00 -0.77 0.00 0.00 57.85 57.68 1x05 n ARG 66 Cb 0.54 -1.32 -0.02 0.00 -1.02 0.00 0.00 32.46 30.64 1x05 n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x05 n GLY 67 N -1.25 3.63 2.97 -0.13 0.00 -1.26 -1.33 105.19 107.83 1x05 n GLY 67 Ca 0.15 -1.79 -0.18 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.95 0.34 -0.04 0.00 1.01 0.67 -4.62 120.40 115.82 1x05 s VAL 69 Ca 0.35 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.59 1x05 s VAL 69 Cb -0.03 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 1x05 s VAL 69 CO 0.22 -0.29 -0.15 -0.69 0.00 0.00 0.00 175.10 174.19 1x05 s VAL 70 N -1.05 3.00 0.34 2.92 1.01 -1.26 -0.91 120.40 124.46 1x05 s VAL 70 Ca -0.09 -0.79 -0.15 0.00 0.00 0.00 0.00 61.98 60.96 1x05 s VAL 70 Cb -0.08 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 34.16 1x05 s VAL 70 CO -0.00 0.56 0.70 0.28 0.00 0.00 0.00 175.10 176.65 1x05 s THR 71 N -0.75 0.00 0.18 3.92 -1.32 -0.49 -4.96 115.64 112.21 1x05 s THR 71 Ca 0.12 -1.12 0.10 0.00 -1.21 0.00 0.00 61.69 59.58 1x05 s THR 71 Cb -0.11 -2.58 -0.04 0.00 -1.51 0.00 0.00 72.50 68.26 1x05 s THR 71 CO 0.01 0.00 -0.18 -0.44 -2.21 0.00 0.00 174.62 171.80 1x05 s SER 72 N -3.05 3.81 0.93 8.08 0.01 -1.26 -2.58 113.70 119.64 1x05 s SER 72 Ca 0.17 -0.71 -0.12 0.00 1.31 0.00 0.00 55.95 56.59 1x05 s SER 72 Cb -0.04 -0.47 0.21 0.00 0.21 0.00 0.00 66.02 65.92 1x05 s SER 72 CO 0.11 0.12 1.26 1.33 0.41 0.00 0.00 173.24 176.48 1x05 n VAL 73 N 0.26 0.00 -1.37 3.43 0.24 -1.26 -4.52 118.33 115.11 1x05 n VAL 73 Ca -0.12 -1.16 0.05 0.00 -2.04 0.00 0.00 64.34 61.07 1x05 n VAL 73 Cb 0.55 -1.33 0.19 0.00 -1.47 0.00 0.00 33.84 31.78 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 -3.60 1.68 -2.22 7.34 0.28 -1.26 -4.98 120.64 117.88 1x05 n GLU 74 Ca 0.17 -3.04 -0.29 0.00 -0.16 0.00 0.00 57.16 53.84 1x05 n GLU 74 Cb 0.59 -1.65 0.02 0.00 1.43 0.00 0.00 31.44 31.83 1x05 n GLU 74 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1x05 s SER 75 N -2.87 6.02 0.39 -1.84 0.01 -1.26 -4.91 113.70 109.24 1x05 s SER 75 Ca 0.38 1.09 0.00 0.00 1.31 0.00 0.00 55.95 58.73 1x05 s SER 75 Cb 0.35 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 64.40 1x05 s SER 75 CO -0.01 -0.87 0.00 -3.20 0.41 0.00 0.00 173.24 169.56 1x05 n ASN 76 N -2.59 -7.25 -3.84 2.44 5.15 -1.26 -4.97 115.26 102.93 1x05 n ASN 76 Ca 0.04 0.83 -0.09 0.00 -0.60 0.00 0.00 54.58 54.76 1x05 n ASN 76 Cb 0.55 -3.88 -0.04 0.00 -0.53 0.00 0.00 39.78 35.89 1x05 n ASN 76 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1x05 s SER 77 N -6.82 -0.05 -0.73 1.20 0.15 -1.26 -5.08 113.70 101.11 1x05 s SER 77 Ca 0.00 -0.91 -0.37 0.00 0.70 0.00 0.00 55.95 55.37 1x05 s SER 77 Cb 0.00 0.64 -0.20 0.00 -1.71 0.00 0.00 66.02 64.76 1x05 s SER 77 CO 0.00 -1.24 2.42 -3.20 1.20 0.00 0.00 173.24 172.42 1x05 n ASN 78 N -0.55 0.62 0.00 5.45 5.15 -1.26 -4.42 115.26 120.25 1x05 n ASN 78 Ca -0.02 0.40 0.00 0.00 -0.60 0.00 0.00 54.58 54.36 1x05 n ASN 78 Cb 0.61 -0.94 0.00 0.00 -0.53 0.00 0.00 39.78 38.92 1x05 n ASN 78 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x05 n GLY 79 N 6.94 0.46 2.77 8.20 0.00 -1.26 -5.05 105.19 117.25 1x05 n GLY 79 Ca 0.59 -2.20 -0.23 0.00 0.00 0.00 0.00 46.02 44.19 1x05 n GLY 79 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x05 s ARG 80 N -0.59 0.58 0.00 1.61 6.06 -1.26 -4.90 118.95 120.45 1x05 s ARG 80 Ca 0.00 0.12 0.00 0.00 -2.50 0.00 0.00 55.73 53.35 1x05 s ARG 80 Cb 0.00 -0.96 0.00 0.00 0.06 0.00 0.00 34.95 34.05 1x05 s ARG 80 CO 0.00 -0.31 0.00 1.17 -2.50 0.00 0.00 175.30 173.66 1x05 n LYS 81 N 5.15 0.00 -1.67 5.12 4.81 -1.26 -5.12 118.16 125.20 1x05 n LYS 81 Ca -0.07 0.00 -0.50 0.00 -0.87 0.00 0.00 58.31 56.87 1x05 n LYS 81 Cb 0.50 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.50 1x05 n LYS 81 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1x05 n SER 82 N -1.67 2.85 0.09 3.14 2.88 -1.26 -4.87 113.62 114.77 1x05 n SER 82 Ca 0.00 1.05 -0.15 0.00 -1.33 0.00 0.00 58.87 58.43 1x05 n SER 82 Cb 0.00 -1.31 -0.09 0.00 -0.75 0.00 0.00 64.21 62.06 1x05 n SER 82 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1x05 h GLU 83 N 7.13 -0.67 -5.14 -1.46 4.39 -2.03 -3.38 114.58 113.42 1x05 h GLU 83 Ca -0.47 0.05 -0.45 0.00 0.34 0.00 0.00 59.36 58.83 1x05 h GLU 83 Cb 1.29 0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 30.02 1x05 h GLU 83 CO 0.91 -0.44 1.69 0.39 -1.16 0.00 0.00 179.01 180.39 1x05 n GLU 84 N -5.47 0.23 0.00 2.33 1.02 -1.26 -4.87 120.64 112.62 1x05 n GLU 84 Ca -0.07 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1x05 n GLU 84 Cb 0.40 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 1x05 n GLU 84 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1x05 n GLU 85 N 8.16 0.70 -2.31 3.49 1.02 -1.26 -4.48 120.64 125.96 1x05 n GLU 85 Ca 0.60 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 57.31 1x05 n GLU 85 Cb 0.17 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.56 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 -2.06 6.25 0.51 1.62 0.01 -1.26 -4.83 114.94 115.18 1x05 s ASN 86 Ca 0.00 0.83 0.02 0.00 -0.71 0.00 0.00 52.86 53.00 1x05 s ASN 86 Cb 0.00 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 39.14 1x05 s ASN 86 CO 0.00 -1.50 0.19 0.18 -1.51 0.00 0.00 177.10 174.46 1x05 n LEU 87 N 9.11 0.00 -3.59 0.60 4.77 -1.26 0.29 117.00 126.93 1x05 n LEU 87 Ca 0.17 -2.90 -0.10 0.00 -0.03 0.00 0.00 56.01 53.15 1x05 n LEU 87 Cb 0.48 0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.67 1x05 n LEU 87 CO 0.70 -0.50 0.79 0.72 -1.33 0.00 0.00 177.39 177.77 1x05 s PHE 88 N -2.68 -0.37 -0.10 -1.77 -0.12 -1.02 -4.02 117.98 107.90 1x05 s PHE 88 Ca 0.14 0.66 -0.07 0.00 -0.05 0.00 0.00 56.93 57.61 1x05 s PHE 88 Cb -0.01 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 1x05 s PHE 88 CO 0.09 -0.32 0.16 -2.00 -0.05 0.00 0.00 175.22 173.10 1x05 s GLU 89 N -0.98 3.47 -0.27 1.99 2.12 -1.07 -3.16 118.70 120.80 1x05 s GLU 89 Ca -0.01 -0.12 -0.01 0.00 0.36 0.00 0.00 54.97 55.18 1x05 s GLU 89 Cb -0.01 -3.18 0.09 0.00 0.26 0.00 0.00 34.13 31.29 1x05 s GLU 89 CO 0.00 0.76 0.07 0.42 -0.54 0.00 0.00 175.26 175.98 1x05 s ILE 90 N -1.07 0.77 0.25 -3.70 1.01 -1.11 -1.39 121.20 115.96 1x05 s ILE 90 Ca 0.17 -1.12 -0.23 0.00 0.00 0.00 0.00 60.65 59.47 1x05 s ILE 90 Cb -0.12 -1.47 -0.09 0.00 0.01 0.00 0.00 42.46 40.79 1x05 s ILE 90 CO 0.06 -0.51 0.81 -0.63 0.00 0.00 0.00 174.94 174.67 1x05 s ILE 91 N 1.69 4.41 0.49 2.92 1.01 -0.09 -3.29 121.20 128.35 1x05 s ILE 91 Ca 0.06 1.54 0.06 0.00 0.00 0.00 0.00 60.65 62.31 1x05 s ILE 91 Cb -0.17 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.35 1x05 s ILE 91 CO -0.20 0.23 0.35 0.42 0.00 0.00 0.00 174.94 175.74 1x05 s THR 92 N -1.50 1.97 0.67 2.92 -4.23 -0.66 0.24 115.64 115.05 1x05 s THR 92 Ca 0.45 -1.51 0.42 0.00 -1.18 0.00 0.00 61.69 59.87 1x05 s THR 92 Cb -0.18 -2.48 0.43 0.00 1.34 0.00 0.00 72.50 71.61 1x05 s THR 92 CO 0.23 0.00 2.31 0.00 -0.54 0.00 0.00 174.62 176.62 1x05 h ALA 93 N 0.94 1.07 -0.01 3.99 0.00 -1.54 1.08 119.26 124.79 1x05 h ALA 93 Ca -0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1x05 h ALA 93 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1x05 h ALA 93 CO 0.60 -0.05 -0.11 -3.47 0.00 0.00 0.00 179.25 176.22 1x05 n ASP 94 N -3.09 1.51 0.00 0.00 2.03 -1.26 -4.90 116.55 110.85 1x05 n ASP 94 Ca -0.03 -1.34 0.00 0.00 0.52 0.00 0.00 54.79 53.94 1x05 n ASP 94 Cb 0.11 0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 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 -0.00 -0.07 -1.91 -0.67 1.02 0.37 -4.98 120.64 114.40 1x05 n GLU 95 Ca 0.16 0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.90 1x05 n GLU 95 Cb 0.38 -2.91 -0.02 0.00 -0.02 0.00 0.00 31.44 28.87 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 -2.78 2.45 -0.10 2.62 1.01 -1.26 -4.59 120.40 117.76 1x05 s VAL 96 Ca 0.00 0.36 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 1x05 s VAL 96 Cb 0.00 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1x05 s VAL 96 CO 0.00 0.05 0.00 -1.00 0.00 0.00 0.00 175.10 174.15 1x05 s HIS 97 N 0.47 3.15 0.00 5.22 3.76 -1.26 -1.65 115.29 124.99 1x05 s HIS 97 Ca 0.65 0.13 0.03 0.00 -0.15 0.00 0.00 55.06 55.72 1x05 s HIS 97 Cb -0.45 -1.83 -0.01 0.00 1.11 0.00 0.00 32.58 31.41 1x05 s HIS 97 CO 0.39 0.39 -0.11 0.71 -0.85 0.00 0.00 174.74 175.28 1x05 s TYR 98 N -0.66 0.94 -0.30 1.40 2.02 -1.21 -4.97 117.35 114.57 1x05 s TYR 98 Ca 0.11 -0.22 -0.01 0.00 -0.37 0.00 0.00 57.07 56.57 1x05 s TYR 98 Cb -0.12 -0.59 0.06 0.00 -0.40 0.00 0.00 41.96 40.91 1x05 s TYR 98 CO 0.02 -0.01 -0.00 -0.06 -1.57 0.00 0.00 175.55 173.93 1x05 s PHE 99 N -0.43 3.30 -0.04 2.71 0.08 -1.26 -2.76 117.98 119.58 1x05 s PHE 99 Ca 0.02 -2.00 0.06 0.00 0.12 0.00 0.00 56.93 55.13 1x05 s PHE 99 Cb -0.05 -2.17 -0.02 0.00 -0.57 0.00 0.00 43.02 40.21 1x05 s PHE 99 CO -0.00 -0.83 -0.20 -0.51 -0.10 0.00 0.00 175.22 173.58 1x05 s LEU 100 N 1.22 2.37 -0.21 -0.37 2.01 -1.19 -2.56 118.68 119.94 1x05 s LEU 100 Ca -0.05 -0.35 -0.07 0.00 0.01 0.00 0.00 54.13 53.68 1x05 s LEU 100 Cb -0.20 -1.44 -0.03 0.00 0.01 0.00 0.00 46.19 44.52 1x05 s LEU 100 CO -0.02 0.32 0.05 -1.58 1.01 0.00 0.00 176.35 176.14 1x05 s GLN 101 N -0.62 3.79 -0.20 1.70 0.74 -1.15 -2.43 119.66 121.49 1x05 s GLN 101 Ca 0.09 -0.43 -0.18 0.00 0.05 0.00 0.00 55.36 54.90 1x05 s GLN 101 Cb -0.11 -3.22 -0.03 0.00 1.10 0.00 0.00 33.01 30.75 1x05 s GLN 101 CO 0.00 0.07 0.49 0.00 -0.55 0.00 0.00 175.29 175.29 1x05 s ALA 102 N 0.92 3.55 0.21 1.58 0.00 0.14 -3.76 121.76 124.40 1x05 s ALA 102 Ca 0.03 -0.45 -0.18 0.00 0.00 0.00 0.00 51.96 51.37 1x05 s ALA 102 Cb -0.14 -2.77 0.20 0.00 0.00 0.00 0.00 23.12 20.41 1x05 s ALA 102 CO 0.03 -0.43 1.58 0.00 0.00 0.00 0.00 175.76 176.94 1x05 h ALA 103 N 7.48 0.14 -1.98 0.00 0.00 -1.89 -3.36 119.26 119.65 1x05 h ALA 103 Ca -0.34 0.23 -0.52 0.00 0.00 0.00 0.00 54.91 54.28 1x05 h ALA 103 Cb 1.16 0.80 -0.06 0.00 0.00 0.00 0.00 17.79 19.69 1x05 h ALA 103 CO 0.73 -0.60 -0.51 0.95 0.00 0.00 0.00 179.25 179.82 1x05 s THR 104 N -6.04 3.63 -0.50 0.00 -4.23 -1.26 -4.85 115.64 102.39 1x05 s THR 104 Ca -0.14 -1.51 0.26 0.00 -1.18 0.00 0.00 61.69 59.11 1x05 s THR 104 Cb 0.19 -3.15 0.29 0.00 1.34 0.00 0.00 72.50 71.16 1x05 s THR 104 CO 0.71 -0.24 1.76 1.55 -0.54 0.00 0.00 174.62 177.86 1x05 h PRO 105 N 1.44 0.00 0.03 3.99 0.13 -1.95 -2.86 132.00 132.79 1x05 h PRO 105 Ca -0.45 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.41 1x05 h PRO 105 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 1x05 h PRO 105 CO 0.60 0.00 -1.37 1.57 -0.23 0.00 0.00 178.00 178.57 1x05 h LYS 106 N 0.00 0.06 -0.46 0.86 2.10 -1.95 -3.30 116.57 113.89 1x05 h LYS 106 Ca 0.00 -0.11 -0.12 0.00 -2.00 0.00 0.00 60.65 58.42 1x05 h LYS 106 Cb 0.60 0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.96 1x05 h LYS 106 CO 0.00 0.86 -0.19 1.49 -2.00 0.00 0.00 179.45 179.62 1x05 h GLU 107 N 0.02 0.93 -0.53 0.07 4.57 -1.87 -1.10 114.58 116.67 1x05 h GLU 107 Ca -0.16 -0.39 0.08 0.00 -1.18 0.00 0.00 59.36 57.71 1x05 h GLU 107 Cb 1.91 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 30.40 1x05 h GLU 107 CO 0.12 1.05 0.16 -0.09 -1.18 0.00 0.00 179.01 179.07 1x05 h ARG 108 N 0.78 0.31 -0.38 1.92 1.12 -1.63 0.50 114.38 117.01 1x05 h ARG 108 Ca 0.11 -0.02 -0.12 0.00 -1.11 0.00 0.00 59.98 58.84 1x05 h ARG 108 Cb 0.76 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.64 1x05 h ARG 108 CO 0.06 0.20 -0.25 1.15 -3.11 0.00 0.00 179.97 178.03 1x05 h THR 109 N 0.32 1.28 0.23 0.20 2.02 -1.61 -2.43 112.91 112.91 1x05 h THR 109 Ca 0.27 -1.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.04 1x05 h THR 109 Cb 0.33 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1x05 h THR 109 CO -0.30 0.46 -0.16 -0.33 0.37 0.00 0.00 175.52 175.57 1x05 h GLU 110 N 0.63 -0.37 0.07 6.66 5.08 -0.21 -1.04 114.58 125.40 1x05 h GLU 110 Ca 0.08 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1x05 h GLU 110 Cb 0.81 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.10 1x05 h GLU 110 CO 0.07 -0.24 -0.47 -1.49 -1.00 0.00 0.00 179.01 175.87 1x05 h TRP 111 N -0.38 -1.37 -0.75 4.33 4.06 -0.03 1.54 115.95 123.36 1x05 h TRP 111 Ca -0.02 0.04 0.07 0.00 2.06 0.00 0.00 58.89 61.04 1x05 h TRP 111 Cb 0.33 0.59 -0.09 0.00 -1.00 0.00 0.00 29.16 28.99 1x05 h TRP 111 CO -0.10 -0.52 -0.46 0.82 -3.56 0.00 0.00 178.44 174.62 1x05 h ILE 112 N -0.64 0.00 -0.98 1.49 2.04 -1.28 1.28 117.51 119.42 1x05 h ILE 112 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 1x05 h ILE 112 Cb 0.66 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.66 1x05 h ILE 112 CO -0.28 0.00 0.63 0.11 0.00 0.00 0.00 178.15 178.61 1x05 h LYS 113 N -0.02 1.00 0.26 2.37 1.57 -0.55 0.26 116.57 121.46 1x05 h LYS 113 Ca 0.12 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1x05 h LYS 113 Cb 0.33 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1x05 h LYS 113 CO -0.71 0.66 -0.31 0.00 -0.57 0.00 0.00 179.45 178.53 1x05 h ALA 114 N 1.52 -0.61 -0.70 3.86 0.00 1.08 0.65 119.26 125.06 1x05 h ALA 114 Ca 0.46 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.31 1x05 h ALA 114 Cb 0.37 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1x05 h ALA 114 CO -0.22 -0.88 0.44 0.82 0.00 0.00 0.00 179.25 179.41 1x05 h ILE 115 N -0.61 1.11 0.03 0.00 2.04 0.16 -2.39 117.51 117.85 1x05 h ILE 115 Ca -0.00 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.57 1x05 h ILE 115 Cb 0.58 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1x05 h ILE 115 CO -0.09 0.16 -0.13 1.56 0.00 0.00 0.00 178.15 179.65 1x05 h GLN 116 N 0.87 -0.23 -0.74 2.37 4.20 0.18 0.37 115.11 122.13 1x05 h GLN 116 Ca 0.28 0.02 0.17 0.00 0.06 0.00 0.00 58.65 59.17 1x05 h GLN 116 Cb -0.00 0.05 -0.12 0.00 0.30 0.00 0.00 27.48 27.71 1x05 h GLN 116 CO -0.10 -0.15 0.11 1.98 -0.67 0.00 0.00 178.83 180.00 1x05 h MET 117 N -0.24 0.19 0.22 1.46 1.85 0.76 1.12 114.93 120.30 1x05 h MET 117 Ca 0.04 -0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.10 1x05 h MET 117 Cb 0.28 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.27 1x05 h MET 117 CO -0.11 0.13 -0.11 0.00 -0.40 0.00 0.00 176.91 176.42 1x05 h ALA 118 N 1.65 -0.60 -1.43 0.39 0.00 -0.95 -3.01 119.26 115.32 1x05 h ALA 118 Ca 0.42 -0.07 0.43 0.00 0.00 0.00 0.00 54.91 55.70 1x05 h ALA 118 Cb 0.74 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.55 1x05 h ALA 118 CO -0.57 -0.58 0.97 0.66 0.00 0.00 0.00 179.25 179.72 1x05 h SER 119 N -0.50 0.16 -0.73 0.00 4.64 0.05 1.43 113.55 118.60 1x05 h SER 119 Ca -0.03 0.07 0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1x05 h SER 119 Cb 0.23 0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 1x05 h SER 119 CO 0.05 -0.08 0.48 0.03 -0.87 0.00 0.00 176.83 176.45 1x05 h ARG 120 N 0.08 0.95 -1.01 4.77 2.47 0.13 0.69 114.38 122.47 1x05 h ARG 120 Ca 0.78 -0.06 0.24 0.00 -1.26 0.00 0.00 59.98 59.68 1x05 h ARG 120 Cb 2.69 -0.22 -0.10 0.00 -1.65 0.00 0.00 29.97 30.70 1x05 h ARG 120 CO -0.23 0.63 0.63 0.00 0.56 0.00 0.00 179.97 181.56 1x05 h THR 121 N 0.98 0.58 0.00 2.04 1.03 0.21 -2.96 112.91 114.79 1x05 h THR 121 Ca 0.27 -0.18 -0.02 0.00 -0.01 0.00 0.00 66.41 66.47 1x05 h THR 121 Cb -0.10 0.00 -0.00 0.00 -1.07 0.00 0.00 68.15 66.98 1x05 h THR 121 CO -0.06 0.10 -0.55 1.23 -0.01 0.00 0.00 175.52 176.22 1x05 h GLY 122 N 0.53 0.00 -5.98 2.99 0.00 -1.31 -3.50 103.07 95.80 1x05 h GLY 122 Ca 0.60 0.00 0.12 0.00 0.00 0.00 0.00 47.33 48.05 1x05 h GLY 122 CO -0.36 0.00 0.41 1.25 0.00 0.00 0.00 176.54 177.84 1x05 s LYS 123 N -2.21 0.36 0.09 4.80 2.47 0.23 -4.98 119.74 120.50 1x05 s LYS 123 Ca -0.15 0.62 -0.35 0.00 -1.56 0.00 0.00 55.97 54.53 1x05 s LYS 123 Cb 0.02 0.07 -0.16 0.00 -1.46 0.00 0.00 37.83 36.31 1x05 s LYS 123 CO 0.24 -0.08 1.57 0.66 0.16 0.00 0.00 175.35 177.91 1x05 h SER 124 N 5.99 -1.34 -4.83 1.43 4.64 -1.73 -3.37 113.55 114.34 1x05 h SER 124 Ca -0.28 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1x05 h SER 124 Cb 1.19 0.45 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 1x05 h SER 124 CO 0.20 -0.62 0.00 0.61 -0.87 0.00 0.00 176.83 176.15 1x05 n GLY 125 N -1.53 2.85 2.44 -0.77 0.00 -1.26 -4.75 105.19 102.16 1x05 n GLY 125 Ca -0.11 -2.04 -0.27 0.00 0.00 0.00 0.00 46.02 43.61 1x05 n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x05 n PRO 126 N -1.17 2.61 -3.15 1.61 -0.04 -1.26 -4.58 135.00 129.02 1x05 n PRO 126 Ca 0.00 -1.64 0.04 0.00 -0.04 0.00 0.00 63.50 61.86 1x05 n PRO 126 Cb 0.00 -2.51 -0.00 0.00 -0.04 0.00 0.00 33.50 30.95 1x05 n PRO 126 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x05 s SER 127 N 2.81 -1.50 -0.32 3.54 0.15 -1.26 -5.12 113.70 112.00 1x05 s SER 127 Ca 0.52 0.51 0.03 0.00 0.70 0.00 0.00 55.95 57.71 1x05 s SER 127 Cb 0.15 2.09 0.09 0.00 -1.71 0.00 0.00 66.02 66.64 1x05 s SER 127 CO -0.04 -0.28 0.03 -0.94 1.20 0.00 0.00 173.24 173.22 1x05 s SER 128 N 2.85 4.56 0.00 5.45 1.04 -1.26 -5.08 113.70 121.26 1x05 s SER 128 Ca 0.15 -1.94 0.00 0.00 0.48 0.00 0.00 55.95 54.64 1x05 s SER 128 Cb -0.12 -1.47 0.00 0.00 0.10 0.00 0.00 66.02 64.52 1x05 s SER 128 CO -0.24 -0.36 0.24 0.61 0.98 0.00 0.00 173.24 174.48