#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 -2.15 0.00 1.61 3.41 -1.26 -5.06 113.62 110.17 1x05 n SER 2 Ca 0.00 -1.06 0.00 0.00 -0.26 0.00 0.00 58.87 57.55 1x05 n SER 2 Cb 0.00 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 1x05 n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x05 n SER 3 N -4.73 0.00 0.00 4.04 7.64 -1.26 -5.12 113.62 114.19 1x05 n SER 3 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1x05 n SER 3 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1x05 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x05 n GLY 4 N 0.00 0.20 3.40 0.23 0.00 -1.26 -5.06 105.19 102.71 1x05 n GLY 4 Ca 0.00 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 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 0.00 -5.87 0.07 1.61 7.64 -1.26 -4.91 113.62 110.91 1x05 n SER 5 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1x05 n SER 5 Cb 0.00 -1.92 0.00 0.00 -1.01 0.00 0.00 64.21 61.28 1x05 n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x05 n SER 6 N 0.08 -0.62 0.00 6.43 3.41 -1.26 -4.74 113.62 116.91 1x05 n SER 6 Ca -0.06 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1x05 n SER 6 Cb 0.63 0.74 0.00 0.00 -0.26 0.00 0.00 64.21 65.32 1x05 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x05 n GLY 7 N 0.52 -0.15 1.39 5.00 0.00 -1.26 -4.14 105.19 106.54 1x05 n GLY 7 Ca 0.00 -0.17 0.16 0.00 0.00 0.00 0.00 46.02 46.01 1x05 n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x05 n VAL 8 N 0.00 -0.79 -1.31 1.61 0.31 -1.26 -4.97 118.33 111.92 1x05 n VAL 8 Ca 0.00 0.84 0.15 0.00 -0.01 0.00 0.00 64.34 65.32 1x05 n VAL 8 Cb 0.00 -1.29 -0.08 0.00 -0.91 0.00 0.00 33.84 31.56 1x05 n VAL 8 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1x05 n ILE 9 N -4.25 -0.59 -3.75 2.52 5.41 -1.26 -4.86 119.36 112.58 1x05 n ILE 9 Ca -0.08 0.71 -0.29 0.00 1.00 0.00 0.00 62.75 64.08 1x05 n ILE 9 Cb 0.64 -1.12 -0.15 0.00 -0.71 0.00 0.00 39.64 38.30 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 -6.83 1.97 0.00 1.39 1.98 -1.26 -4.98 118.68 110.95 1x05 s LEU 10 Ca 0.00 -1.36 -0.02 0.00 -2.89 0.00 0.00 54.13 49.86 1x05 s LEU 10 Cb 0.00 -0.82 0.03 0.00 0.66 0.00 0.00 46.19 46.06 1x05 s LEU 10 CO 0.00 -0.37 0.16 0.29 -1.89 0.00 0.00 176.35 174.54 1x05 n LYS 11 N 4.89 -0.03 0.05 1.98 5.02 -1.26 -5.01 118.16 123.81 1x05 n LYS 11 Ca -0.05 -0.27 -0.23 0.00 -2.02 0.00 0.00 58.31 55.75 1x05 n LYS 11 Cb 0.44 -0.15 -0.15 0.00 -0.02 0.00 0.00 35.03 35.15 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 0.00 0.35 0.00 1.97 4.39 -2.00 -3.29 114.58 116.00 1x05 h GLU 12 Ca -0.05 -0.61 0.00 0.00 0.34 0.00 0.00 59.36 59.04 1x05 h GLU 12 Cb 0.15 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1x05 h GLU 12 CO 0.04 1.29 0.02 1.05 -1.16 0.00 0.00 179.01 180.25 1x05 h GLU 13 N 0.03 0.00 -0.59 2.33 4.11 -2.01 0.25 114.58 118.69 1x05 h GLU 13 Ca -0.35 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.92 1x05 h GLU 13 Cb 2.03 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 31.18 1x05 h GLU 13 CO 0.15 0.00 0.17 1.19 0.07 0.00 0.00 179.01 180.58 1x05 n PHE 14 N -2.41 1.95 -3.06 2.06 3.72 -1.24 -4.96 117.46 113.52 1x05 n PHE 14 Ca -0.02 -1.19 0.00 0.00 -0.05 0.00 0.00 57.45 56.19 1x05 n PHE 14 Cb 0.06 -0.59 0.00 0.00 -0.94 0.00 0.00 39.48 38.01 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 -0.37 1.45 -0.38 -1.08 5.12 0.87 -4.87 116.66 117.41 1x05 n ARG 15 Ca 0.36 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 56.33 1x05 n ARG 15 Cb 1.24 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 32.51 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 5.00 -2.83 3.23 -0.13 0.00 -1.23 -4.44 105.19 104.79 1x05 n GLY 16 Ca 0.00 -1.34 -0.21 0.00 0.00 0.00 0.00 46.02 44.47 1x05 n GLY 16 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1x05 n VAL 17 N -2.63 0.00 -4.19 1.61 0.24 -1.25 -4.91 118.33 107.21 1x05 n VAL 17 Ca -0.03 -1.13 -0.34 0.00 -2.04 0.00 0.00 64.34 60.80 1x05 n VAL 17 Cb 0.18 -1.20 -0.08 0.00 -1.47 0.00 0.00 33.84 31.28 1x05 n VAL 17 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1x05 s ILE 18 N -2.86 4.57 -0.06 1.34 -1.09 -1.26 -3.29 121.20 118.56 1x05 s ILE 18 Ca 0.58 -0.36 0.07 0.00 -2.23 0.00 0.00 60.65 58.71 1x05 s ILE 18 Cb -0.03 -3.03 -0.11 0.00 -1.58 0.00 0.00 42.46 37.71 1x05 s ILE 18 CO 0.39 0.44 0.07 2.30 -1.23 0.00 0.00 174.94 176.91 1x05 n ILE 19 N 1.52 0.41 -3.59 2.92 -0.00 -0.96 -4.95 119.36 114.69 1x05 n ILE 19 Ca -0.15 -0.30 -0.10 0.00 -0.00 0.00 0.00 62.75 62.20 1x05 n ILE 19 Cb 0.53 -0.52 -0.06 0.00 -0.00 0.00 0.00 39.64 39.59 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 -2.29 0.55 0.05 6.28 2.20 -1.25 -5.07 119.74 120.21 1x05 s LYS 20 Ca -0.04 0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 55.82 1x05 s LYS 20 Cb 0.03 0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 36.58 1x05 s LYS 20 CO 0.33 -0.15 -0.03 -0.65 -0.36 0.00 0.00 175.35 174.49 1x05 s GLN 21 N -0.75 0.60 0.00 4.03 -0.21 -1.26 -2.03 119.66 120.05 1x05 s GLN 21 Ca -0.00 -1.21 0.00 0.00 0.02 0.00 0.00 55.36 54.17 1x05 s GLN 21 Cb -0.02 0.21 0.00 0.00 1.00 0.00 0.00 33.01 34.20 1x05 s GLN 21 CO -0.01 -0.11 0.00 0.41 -2.12 0.00 0.00 175.29 173.46 1x05 n GLY 22 N 0.14 -1.30 3.81 3.09 0.00 -1.14 -5.04 105.19 104.75 1x05 n GLY 22 Ca -0.14 -1.28 -0.22 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.81 0.24 -0.57 0.00 1.43 0.44 -4.81 118.68 111.59 1x05 s LEU 24 Ca 0.33 0.18 -0.18 0.00 -1.03 0.00 0.00 54.13 53.43 1x05 s LEU 24 Cb -0.08 1.83 0.11 0.00 0.03 0.00 0.00 46.19 48.08 1x05 s LEU 24 CO 0.24 -0.61 0.63 -0.76 0.23 0.00 0.00 176.35 176.08 1x05 s LEU 25 N -1.68 5.66 -0.27 1.79 2.01 -1.24 -0.84 118.68 124.12 1x05 s LEU 25 Ca -0.08 -1.55 -0.20 0.00 0.01 0.00 0.00 54.13 52.31 1x05 s LEU 25 Cb -0.02 -2.27 -0.02 0.00 0.01 0.00 0.00 46.19 43.89 1x05 s LEU 25 CO 0.02 -1.01 0.62 -0.75 1.01 0.00 0.00 176.35 176.24 1x05 s LYS 26 N 2.29 4.05 0.09 1.70 2.20 -1.16 -2.83 119.74 126.08 1x05 s LYS 26 Ca 0.08 0.46 -0.23 0.00 -0.36 0.00 0.00 55.97 55.92 1x05 s LYS 26 Cb -0.26 -3.67 -0.07 0.00 -1.51 0.00 0.00 37.83 32.32 1x05 s LYS 26 CO 0.05 -0.46 0.71 -0.65 -0.36 0.00 0.00 175.35 174.64 1x05 s GLN 27 N 2.53 4.44 0.00 4.03 -1.52 -1.07 -4.25 119.66 123.82 1x05 s GLN 27 Ca 0.26 0.99 0.00 0.00 -1.95 0.00 0.00 55.36 54.66 1x05 s GLN 27 Cb -0.15 -3.29 0.00 0.00 -0.22 0.00 0.00 33.01 29.34 1x05 s GLN 27 CO 0.09 0.48 0.00 0.41 -0.25 0.00 0.00 175.29 176.03 1x05 n GLY 28 N 1.94 -0.79 3.64 3.09 0.00 -1.26 -4.69 105.19 107.12 1x05 n GLY 28 Ca -0.06 0.17 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 1x05 n GLY 28 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1x05 s HIS 29 N 0.00 -0.30 0.18 1.61 5.04 -1.26 -5.04 115.29 115.52 1x05 s HIS 29 Ca 0.00 0.02 -0.12 0.00 -1.54 0.00 0.00 55.06 53.42 1x05 s HIS 29 Cb 0.00 0.61 0.10 0.00 0.04 0.00 0.00 32.58 33.33 1x05 s HIS 29 CO 0.00 -0.87 1.79 0.00 -2.34 0.00 0.00 174.74 173.32 1x05 h ARG 30 N 2.00 0.90 -6.40 2.88 3.08 -2.03 -3.44 114.38 111.38 1x05 h ARG 30 Ca -0.25 -0.12 -0.60 0.00 0.07 0.00 0.00 59.98 59.09 1x05 h ARG 30 Cb 1.26 -0.17 0.14 0.00 0.08 0.00 0.00 29.97 31.28 1x05 h ARG 30 CO 0.29 0.70 -0.29 -2.13 -1.07 0.00 0.00 179.97 177.47 1x05 n ARG 31 N -4.52 0.71 0.11 0.04 0.00 -1.26 -4.93 116.66 106.81 1x05 n ARG 31 Ca 0.05 0.26 -0.05 0.00 -0.00 0.00 0.00 57.85 58.11 1x05 n ARG 31 Cb 0.10 -1.62 -0.02 0.00 0.00 0.00 0.00 32.46 30.92 1x05 n ARG 31 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1x05 h LYS 32 N 0.91 -0.30 0.00 -0.14 1.63 -2.06 -3.46 116.57 113.16 1x05 h LYS 32 Ca -0.41 0.02 -0.26 0.00 -0.85 0.00 0.00 60.65 59.14 1x05 h LYS 32 Cb 1.39 0.07 0.16 0.00 -0.60 0.00 0.00 32.23 33.24 1x05 h LYS 32 CO 0.52 -0.20 -0.13 -1.71 -3.45 0.00 0.00 179.45 174.49 1x05 n ASN 33 N -3.49 -3.58 -1.95 4.20 2.85 -1.26 -5.02 115.26 107.00 1x05 n ASN 33 Ca -0.04 -0.64 0.00 0.00 -0.11 0.00 0.00 54.58 53.79 1x05 n ASN 33 Cb 0.12 -0.83 0.00 0.00 1.24 0.00 0.00 39.78 40.31 1x05 n ASN 33 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1x05 n TRP 34 N -5.06 -2.94 -3.64 1.20 7.02 -1.26 -4.98 117.44 107.78 1x05 n TRP 34 Ca 0.10 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.44 1x05 n TRP 34 Cb 0.44 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 29.19 1x05 n TRP 34 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1x05 s LYS 35 N -1.89 0.14 0.43 -0.99 1.02 -1.26 -5.06 119.74 112.13 1x05 s LYS 35 Ca 0.00 0.67 -0.26 0.00 0.02 0.00 0.00 55.97 56.41 1x05 s LYS 35 Cb 0.00 -0.18 -0.08 0.00 -0.52 0.00 0.00 37.83 37.04 1x05 s LYS 35 CO 0.00 -0.33 1.35 0.08 -0.92 0.00 0.00 175.35 175.53 1x05 s VAL 36 N 2.40 2.40 -0.01 3.17 1.01 -1.26 -3.01 120.40 125.10 1x05 s VAL 36 Ca 0.02 0.35 -0.28 0.00 0.00 0.00 0.00 61.98 62.08 1x05 s VAL 36 Cb -0.12 -3.21 0.07 0.00 0.00 0.00 0.00 36.38 33.11 1x05 s VAL 36 CO -0.09 0.05 0.63 -0.60 0.00 0.00 0.00 175.10 175.09 1x05 s ARG 37 N -2.34 1.07 0.21 2.72 3.52 -0.02 -4.65 118.95 119.46 1x05 s ARG 37 Ca 0.59 0.08 -0.25 0.00 -0.13 0.00 0.00 55.73 56.01 1x05 s ARG 37 Cb -0.40 0.50 -0.08 0.00 -1.56 0.00 0.00 34.95 33.40 1x05 s ARG 37 CO 0.52 -0.36 0.81 0.21 -0.81 0.00 0.00 175.30 175.67 1x05 s LYS 38 N -1.71 4.54 -0.14 5.12 2.47 0.03 0.16 119.74 130.23 1x05 s LYS 38 Ca -0.09 1.17 -0.03 0.00 -1.56 0.00 0.00 55.97 55.46 1x05 s LYS 38 Cb -0.00 -3.11 0.05 0.00 -1.46 0.00 0.00 37.83 33.30 1x05 s LYS 38 CO 0.05 0.48 0.05 -0.06 0.16 0.00 0.00 175.35 176.03 1x05 s PHE 39 N -1.31 0.49 -0.13 4.03 0.40 0.11 -1.73 117.98 119.83 1x05 s PHE 39 Ca 0.40 -0.34 -0.03 0.00 -0.60 0.00 0.00 56.93 56.37 1x05 s PHE 39 Cb -0.21 -0.77 -0.03 0.00 0.51 0.00 0.00 43.02 42.52 1x05 s PHE 39 CO 0.26 -0.45 -0.04 0.42 0.70 0.00 0.00 175.22 176.11 1x05 s ILE 40 N 2.03 3.89 -0.11 0.64 1.01 0.51 -2.87 121.20 126.30 1x05 s ILE 40 Ca 0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 1x05 s ILE 40 Cb -0.15 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 1x05 s ILE 40 CO -0.07 0.52 -0.02 -0.22 0.00 0.00 0.00 174.94 175.15 1x05 s LEU 41 N 0.05 3.40 -0.03 2.97 2.96 -0.86 -0.48 118.68 126.69 1x05 s LEU 41 Ca -0.00 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 53.91 1x05 s LEU 41 Cb -0.13 -1.79 0.03 0.00 0.50 0.00 0.00 46.19 44.79 1x05 s LEU 41 CO 0.03 0.28 0.03 0.00 -1.32 0.00 0.00 176.35 175.37 1x05 s ARG 42 N -0.32 0.08 -0.12 1.98 3.03 -0.43 -2.28 118.95 120.89 1x05 s ARG 42 Ca 0.06 0.21 -0.06 0.00 2.03 0.00 0.00 55.73 57.97 1x05 s ARG 42 Cb -0.12 -0.43 -0.04 0.00 -1.03 0.00 0.00 34.95 33.33 1x05 s ARG 42 CO 0.02 -0.21 0.11 -1.83 -1.13 0.00 0.00 175.30 172.25 1x05 s GLU 43 N 1.43 3.42 -0.54 3.89 4.04 -1.21 -0.53 118.70 129.20 1x05 s GLU 43 Ca -0.04 -0.21 -0.12 0.00 0.04 0.00 0.00 54.97 54.64 1x05 s GLU 43 Cb -0.13 -3.12 0.02 0.00 0.02 0.00 0.00 34.13 30.92 1x05 s GLU 43 CO -0.03 0.71 0.64 -3.47 -1.84 0.00 0.00 175.26 171.26 1x05 n ASP 44 N 2.20 -7.71 -4.80 0.83 2.03 -1.26 -3.87 116.55 103.96 1x05 n ASP 44 Ca -0.19 0.27 -0.30 0.00 0.52 0.00 0.00 54.79 55.09 1x05 n ASP 44 Cb 0.54 -5.08 0.09 0.00 -0.72 0.00 0.00 41.12 35.95 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 -2.79 2.06 -0.70 -0.67 0.04 -1.26 -3.48 135.00 128.20 1x05 s PRO 45 Ca 0.17 0.63 -0.19 0.00 0.04 0.00 0.00 61.00 61.65 1x05 s PRO 45 Cb -0.04 -1.92 0.12 0.00 0.04 0.00 0.00 34.50 32.70 1x05 s PRO 45 CO 0.77 -1.63 0.83 0.00 0.04 0.00 0.00 177.00 177.01 1x05 s ALA 46 N -3.16 3.45 0.12 8.56 0.00 -1.24 -4.68 121.76 124.80 1x05 s ALA 46 Ca 0.61 -2.43 -0.06 0.00 0.00 0.00 0.00 51.96 50.08 1x05 s ALA 46 Cb -0.14 -3.67 -0.02 0.00 0.00 0.00 0.00 23.12 19.29 1x05 s ALA 46 CO 0.54 -2.52 0.17 0.71 0.00 0.00 0.00 175.76 174.66 1x05 s TYR 47 N 2.54 0.42 -0.20 0.00 2.02 0.31 -2.58 117.35 119.87 1x05 s TYR 47 Ca 0.18 -0.84 -0.01 0.00 -0.37 0.00 0.00 57.07 56.03 1x05 s TYR 47 Cb -0.18 -0.18 0.06 0.00 -0.40 0.00 0.00 41.96 41.25 1x05 s TYR 47 CO 0.02 -0.58 -0.01 -1.17 -1.57 0.00 0.00 175.55 172.24 1x05 s LEU 48 N -2.94 1.70 -0.08 -1.29 1.98 -1.14 -1.31 118.68 115.60 1x05 s LEU 48 Ca 0.13 -0.90 -0.02 0.00 -2.89 0.00 0.00 54.13 50.45 1x05 s LEU 48 Cb 0.05 -0.84 -0.03 0.00 0.66 0.00 0.00 46.19 46.03 1x05 s LEU 48 CO -0.05 -0.26 0.03 -1.00 -1.89 0.00 0.00 176.35 173.18 1x05 s HIS 49 N 1.67 3.23 -0.06 5.38 3.76 0.37 -1.74 115.29 127.90 1x05 s HIS 49 Ca -0.02 0.24 0.00 0.00 -0.15 0.00 0.00 55.06 55.13 1x05 s HIS 49 Cb -0.17 -1.80 0.02 0.00 1.11 0.00 0.00 32.58 31.74 1x05 s HIS 49 CO -0.07 0.52 -0.03 1.52 -0.85 0.00 0.00 174.74 175.82 1x05 s TYR 50 N -0.94 0.77 0.27 1.40 1.13 -1.19 0.19 117.35 118.98 1x05 s TYR 50 Ca 0.15 -0.23 0.10 0.00 -1.41 0.00 0.00 57.07 55.67 1x05 s TYR 50 Cb -0.11 -0.75 -0.04 0.00 -1.10 0.00 0.00 41.96 39.96 1x05 s TYR 50 CO 0.04 -0.26 -0.01 0.71 -2.51 0.00 0.00 175.55 173.52 1x05 s TYR 51 N 1.31 2.69 0.43 -3.49 1.51 -0.71 -0.59 117.35 118.49 1x05 s TYR 51 Ca -0.05 -0.22 -0.25 0.00 -1.01 0.00 0.00 57.07 55.53 1x05 s TYR 51 Cb -0.14 -1.19 -0.08 0.00 -0.11 0.00 0.00 41.96 40.44 1x05 s TYR 51 CO -0.02 0.62 1.33 0.34 -1.11 0.00 0.00 175.55 176.71 1x05 s ASP 52 N -3.66 6.14 -0.02 2.29 -1.08 -1.26 -0.79 116.67 118.29 1x05 s ASP 52 Ca 0.31 2.71 -0.22 0.00 -0.52 0.00 0.00 52.55 54.83 1x05 s ASP 52 Cb -0.06 -2.64 -0.22 0.00 -1.46 0.00 0.00 42.92 38.53 1x05 s ASP 52 CO 0.20 -0.97 1.10 1.55 0.52 0.00 0.00 175.17 177.56 1x05 h PRO 53 N 2.49 0.30 -0.19 4.34 0.13 -1.92 -3.19 132.00 133.95 1x05 h PRO 53 Ca -0.50 -0.29 -0.00 0.00 -0.87 0.00 0.00 66.00 64.34 1x05 h PRO 53 Cb 1.25 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 1x05 h PRO 53 CO 0.62 0.97 0.11 0.00 -0.23 0.00 0.00 178.00 179.47 1x05 h ALA 54 N 0.33 1.83 0.00 -0.56 0.00 -1.93 -3.47 119.26 115.45 1x05 h ALA 54 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1x05 h ALA 54 Cb 1.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1x05 h ALA 54 CO 0.08 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1x05 n GLY 55 N -1.45 4.20 0.00 0.00 0.00 -1.20 -5.08 105.19 101.65 1x05 n GLY 55 Ca -0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.75 0.00 0.00 4.61 0.00 -1.26 -4.56 120.51 117.55 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 0.39 0.00 0.00 0.00 177.50 177.89 1x05 n GLU 57 N 0.00 0.00 -2.27 0.00 -0.58 -1.26 -4.87 120.64 111.66 1x05 n GLU 57 Ca 0.00 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.39 1x05 n GLU 57 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1x05 n GLU 57 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 1x05 s ASP 58 N 0.00 5.82 0.14 1.62 1.47 -1.26 -4.28 116.67 120.18 1x05 s ASP 58 Ca 0.00 2.20 -0.30 0.00 1.18 0.00 0.00 52.55 55.63 1x05 s ASP 58 Cb 0.00 -2.58 -0.07 0.00 -0.34 0.00 0.00 42.92 39.93 1x05 s ASP 58 CO 0.00 -1.15 1.13 -2.16 0.68 0.00 0.00 175.17 173.67 1x05 s PRO 59 N -3.17 4.53 0.53 2.11 0.04 -1.26 -4.59 135.00 133.20 1x05 s PRO 59 Ca 0.71 1.74 0.22 0.00 0.04 0.00 0.00 61.00 63.71 1x05 s PRO 59 Cb -0.25 -3.30 1.37 0.00 0.04 0.00 0.00 34.50 32.36 1x05 s PRO 59 CO 0.28 -0.04 2.08 -0.07 0.04 0.00 0.00 177.00 179.29 1x05 h LEU 60 N 5.64 0.00 0.00 -3.56 3.38 -1.21 -3.46 115.31 116.10 1x05 h LEU 60 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 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 0.75 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.89 1x05 n GLY 61 N -1.57 0.33 3.60 0.83 0.00 -1.25 -5.06 105.19 102.06 1x05 n GLY 61 Ca 0.03 -1.03 -0.26 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.00 3.12 -0.15 4.61 0.00 -1.26 -3.19 121.76 122.89 1x05 s ALA 62 Ca 0.00 -2.13 -0.02 0.00 0.00 0.00 0.00 51.96 49.81 1x05 s ALA 62 Cb 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.09 1x05 s ALA 62 CO 0.00 0.00 0.01 0.42 0.00 0.00 0.00 175.76 176.19 1x05 s ILE 63 N -2.62 0.60 0.06 0.00 1.01 -0.71 -4.95 121.20 114.59 1x05 s ILE 63 Ca 0.34 -0.38 -0.33 0.00 0.00 0.00 0.00 60.65 60.28 1x05 s ILE 63 Cb 0.04 -0.94 -0.12 0.00 0.01 0.00 0.00 42.46 41.45 1x05 s ILE 63 CO 0.18 -0.01 1.76 1.57 0.00 0.00 0.00 174.94 178.45 1x05 n HIS 64 N 5.04 2.39 -0.04 3.97 -0.00 -1.26 -2.86 115.22 122.45 1x05 n HIS 64 Ca -0.09 0.05 -0.04 0.00 0.46 0.00 0.00 57.72 58.10 1x05 n HIS 64 Cb 0.48 -2.64 -0.07 0.00 -0.12 0.00 0.00 29.99 27.64 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 5.24 0.00 -0.30 0.27 4.77 -1.06 -4.23 117.00 121.68 1x05 n LEU 65 Ca 0.19 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.22 1x05 n LEU 65 Cb 0.31 0.22 0.11 0.00 -2.33 0.00 0.00 43.42 41.74 1x05 n LEU 65 CO 0.68 0.22 0.55 0.54 -1.33 0.00 0.00 177.39 178.05 1x05 n ARG 66 N -2.33 -0.08 -2.85 3.23 1.74 -1.21 -1.09 116.66 114.07 1x05 n ARG 66 Ca -0.15 1.29 -0.23 0.00 -0.77 0.00 0.00 57.85 58.00 1x05 n ARG 66 Cb 0.79 -1.93 -0.02 0.00 -1.02 0.00 0.00 32.46 30.27 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 -1.52 4.73 3.95 -0.13 0.00 -1.26 -4.90 105.19 106.07 1x05 n GLY 67 Ca 0.13 -2.35 -0.24 0.00 0.00 0.00 0.00 46.02 43.57 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 -2.74 0.02 -0.09 0.00 1.01 0.64 -4.92 120.40 114.32 1x05 s VAL 69 Ca 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.27 1x05 s VAL 69 Cb -0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 36.38 36.24 1x05 s VAL 69 CO 0.28 -0.08 -0.02 -0.69 0.00 0.00 0.00 175.10 174.59 1x05 s VAL 70 N -0.22 4.10 0.34 2.92 1.01 -1.26 -0.69 120.40 126.60 1x05 s VAL 70 Ca -0.02 -0.32 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 1x05 s VAL 70 Cb -0.02 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.67 1x05 s VAL 70 CO -0.00 0.59 0.69 0.28 0.00 0.00 0.00 175.10 176.65 1x05 s THR 71 N -0.67 0.00 0.03 3.92 -1.32 -0.57 -4.99 115.64 112.04 1x05 s THR 71 Ca 0.10 -1.14 0.06 0.00 -1.21 0.00 0.00 61.69 59.51 1x05 s THR 71 Cb -0.12 -2.57 -0.03 0.00 -1.51 0.00 0.00 72.50 68.27 1x05 s THR 71 CO 0.02 0.00 -0.15 -0.44 -2.21 0.00 0.00 174.62 171.84 1x05 s SER 72 N -3.06 3.99 0.02 8.08 0.01 -1.26 -2.46 113.70 119.02 1x05 s SER 72 Ca 0.18 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.08 1x05 s SER 72 Cb -0.04 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.47 1x05 s SER 72 CO 0.12 0.26 0.00 1.33 0.41 0.00 0.00 173.24 175.36 1x05 n VAL 73 N 1.55 0.00 0.00 3.43 0.24 -1.26 -4.60 118.33 117.69 1x05 n VAL 73 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1x05 n VAL 73 Cb 0.52 -1.13 0.00 0.00 -1.47 0.00 0.00 33.84 31.77 1x05 n VAL 73 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1x05 n GLU 74 N -0.03 0.00 -0.36 7.34 4.07 -1.26 -4.98 120.64 125.41 1x05 n GLU 74 Ca 0.00 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.15 1x05 n GLU 74 Cb 0.00 -0.55 -0.01 0.00 -0.06 0.00 0.00 31.44 30.82 1x05 n GLU 74 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1x05 n SER 75 N -2.54 -3.28 -4.92 4.31 3.41 -1.26 -4.78 113.62 104.56 1x05 n SER 75 Ca 0.00 0.39 -0.26 0.00 -0.26 0.00 0.00 58.87 58.73 1x05 n SER 75 Cb 0.33 -1.25 0.04 0.00 -0.26 0.00 0.00 64.21 63.07 1x05 n SER 75 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1x05 s ASN 76 N -3.84 5.49 0.20 4.04 -0.87 -1.26 -4.96 114.94 113.73 1x05 s ASN 76 Ca 0.00 0.65 -0.21 0.00 -1.57 0.00 0.00 52.86 51.73 1x05 s ASN 76 Cb 0.00 -1.61 0.13 0.00 -0.02 0.00 0.00 41.25 39.75 1x05 s ASN 76 CO 0.00 -1.12 1.50 -1.54 -2.57 0.00 0.00 177.10 173.37 1x05 n SER 77 N -2.61 -0.76 -4.57 -1.22 3.41 -1.26 -2.90 113.62 103.71 1x05 n SER 77 Ca 0.05 1.70 -0.33 0.00 -0.26 0.00 0.00 58.87 60.03 1x05 n SER 77 Cb 0.58 -0.33 -0.04 0.00 -0.26 0.00 0.00 64.21 64.16 1x05 n SER 77 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1x05 s ASN 78 N -5.39 5.75 -0.13 4.04 0.01 -1.26 -4.71 114.94 113.25 1x05 s ASN 78 Ca -0.13 -1.29 -0.21 0.00 -0.71 0.00 0.00 52.86 50.52 1x05 s ASN 78 Cb 0.17 -2.57 -0.26 0.00 0.41 0.00 0.00 41.25 39.00 1x05 s ASN 78 CO 0.66 -2.23 0.59 1.23 -1.51 0.00 0.00 177.10 175.85 1x05 h GLY 79 N 15.63 0.16 -7.24 0.66 0.00 -1.79 -3.42 103.07 107.07 1x05 h GLY 79 Ca 0.19 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 47.01 1x05 h GLY 79 CO 1.31 0.35 0.34 -1.60 0.00 0.00 0.00 176.54 176.95 1x05 s ARG 80 N -2.38 1.66 0.20 4.80 6.06 -1.26 -4.15 118.95 123.88 1x05 s ARG 80 Ca -0.21 -0.44 0.00 0.00 -2.50 0.00 0.00 55.73 52.59 1x05 s ARG 80 Cb 0.02 -5.02 0.00 0.00 0.06 0.00 0.00 34.95 30.02 1x05 s ARG 80 CO 0.72 -4.81 0.00 1.63 -2.50 0.00 0.00 175.30 170.34 1x05 n LYS 81 N 8.36 -1.21 -0.52 5.12 5.02 -1.26 -5.04 118.16 128.64 1x05 n LYS 81 Ca 0.43 0.93 0.00 0.00 -2.02 0.00 0.00 58.31 57.65 1x05 n LYS 81 Cb 0.46 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1x05 n LYS 81 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1x05 n SER 82 N -3.11 -1.61 0.00 4.39 2.88 -1.26 -4.63 113.62 110.28 1x05 n SER 82 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1x05 n SER 82 Cb 0.26 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 1x05 n SER 82 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1x05 n GLU 83 N 0.58 0.00 -3.71 -1.46 1.02 -1.26 -4.51 120.64 111.30 1x05 n GLU 83 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1x05 n GLU 83 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.28 1x05 n GLU 83 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1x05 s GLU 84 N 0.00 0.15 0.00 3.49 2.02 -1.26 -5.14 118.70 117.96 1x05 s GLU 84 Ca 0.00 0.54 0.00 0.00 0.02 0.00 0.00 54.97 55.53 1x05 s GLU 84 Cb 0.00 -0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.09 1x05 s GLU 84 CO 0.00 -0.20 0.00 0.39 0.02 0.00 0.00 175.26 175.47 1x05 n GLU 85 N 4.56 2.77 -2.68 1.61 1.02 -1.26 -4.17 120.64 122.50 1x05 n GLU 85 Ca -0.20 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.52 1x05 n GLU 85 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.91 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 -1.27 7.19 0.31 1.62 0.01 -1.26 -4.74 114.94 116.82 1x05 s ASN 86 Ca 0.00 1.48 0.04 0.00 -0.71 0.00 0.00 52.86 53.67 1x05 s ASN 86 Cb 0.00 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 39.09 1x05 s ASN 86 CO 0.00 -0.53 0.14 0.18 -1.51 0.00 0.00 177.10 175.39 1x05 n LEU 87 N 5.46 0.00 -3.59 0.60 4.77 -1.26 0.95 117.00 123.93 1x05 n LEU 87 Ca 0.10 -2.51 -0.09 0.00 -0.03 0.00 0.00 56.01 53.47 1x05 n LEU 87 Cb 0.48 0.94 -0.05 0.00 -2.33 0.00 0.00 43.42 42.46 1x05 n LEU 87 CO 0.52 -0.39 0.82 0.72 -1.33 0.00 0.00 177.39 177.72 1x05 s PHE 88 N -2.85 -0.33 -0.13 -1.77 -0.12 -1.14 -4.22 117.98 107.42 1x05 s PHE 88 Ca 0.20 0.58 -0.08 0.00 -0.05 0.00 0.00 56.93 57.59 1x05 s PHE 88 Cb 0.01 0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 1x05 s PHE 88 CO 0.14 -0.30 0.14 -2.00 -0.05 0.00 0.00 175.22 173.15 1x05 s GLU 89 N -1.05 3.56 -0.22 1.99 2.12 -1.03 -3.18 118.70 120.90 1x05 s GLU 89 Ca -0.00 -0.13 -0.02 0.00 0.36 0.00 0.00 54.97 55.18 1x05 s GLU 89 Cb -0.01 -3.22 0.06 0.00 0.26 0.00 0.00 34.13 31.22 1x05 s GLU 89 CO 0.00 0.71 0.02 0.42 -0.54 0.00 0.00 175.26 175.87 1x05 s ILE 90 N -0.82 0.85 0.12 -3.70 1.01 -1.00 -1.51 121.20 116.16 1x05 s ILE 90 Ca 0.14 -0.85 -0.18 0.00 0.00 0.00 0.00 60.65 59.76 1x05 s ILE 90 Cb -0.12 -1.33 -0.07 0.00 0.01 0.00 0.00 42.46 40.95 1x05 s ILE 90 CO 0.03 -0.24 0.60 -0.63 0.00 0.00 0.00 174.94 174.70 1x05 s ILE 91 N 1.70 4.72 0.56 2.92 1.01 0.13 -2.74 121.20 129.50 1x05 s ILE 91 Ca -0.01 1.16 0.07 0.00 0.00 0.00 0.00 60.65 61.87 1x05 s ILE 91 Cb -0.18 -3.87 0.07 0.00 0.01 0.00 0.00 42.46 38.50 1x05 s ILE 91 CO -0.09 0.43 0.61 0.35 0.00 0.00 0.00 174.94 176.23 1x05 n THR 92 N 1.34 0.00 0.29 2.92 -2.24 -0.60 0.23 114.28 116.22 1x05 n THR 92 Ca -0.08 -2.03 0.12 0.00 -2.27 0.00 0.00 64.05 59.80 1x05 n THR 92 Cb 0.51 -0.29 0.57 0.00 -2.10 0.00 0.00 70.33 69.02 1x05 n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x05 h ALA 93 N 0.39 1.00 -0.03 6.98 0.00 -1.18 0.27 119.26 126.69 1x05 h ALA 93 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1x05 h ALA 93 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1x05 h ALA 93 CO 0.46 0.00 -0.02 -0.25 0.00 0.00 0.00 179.25 179.44 1x05 n ASP 94 N -2.32 2.57 0.00 0.00 8.00 -1.26 -4.91 116.55 118.62 1x05 n ASP 94 Ca 0.00 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.66 1x05 n ASP 94 Cb 0.14 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1x05 n ASP 94 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1x05 n GLU 95 N 0.99 -0.07 -1.92 -1.24 1.02 0.95 -4.98 120.64 115.39 1x05 n GLU 95 Ca 0.15 0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.89 1x05 n GLU 95 Cb 0.53 -2.90 -0.03 0.00 -0.02 0.00 0.00 31.44 29.02 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 -2.79 2.55 -0.12 2.62 1.01 -1.26 -4.60 120.40 117.80 1x05 s VAL 96 Ca 0.00 0.41 -0.05 0.00 0.00 0.00 0.00 61.98 62.33 1x05 s VAL 96 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 1x05 s VAL 96 CO 0.00 0.04 0.08 -1.00 0.00 0.00 0.00 175.10 174.22 1x05 s HIS 97 N 0.86 3.39 -0.03 5.22 3.76 -1.26 -1.55 115.29 125.68 1x05 s HIS 97 Ca 0.68 0.34 0.02 0.00 -0.15 0.00 0.00 55.06 55.95 1x05 s HIS 97 Cb -0.44 -1.92 0.01 0.00 1.11 0.00 0.00 32.58 31.34 1x05 s HIS 97 CO 0.35 0.55 -0.07 0.71 -0.85 0.00 0.00 174.74 175.42 1x05 s TYR 98 N -0.73 0.84 -0.35 1.40 2.02 -1.11 -4.96 117.35 114.46 1x05 s TYR 98 Ca 0.12 -0.21 -0.05 0.00 -0.37 0.00 0.00 57.07 56.56 1x05 s TYR 98 Cb -0.12 -0.63 0.06 0.00 -0.40 0.00 0.00 41.96 40.87 1x05 s TYR 98 CO 0.03 -0.12 0.11 -0.06 -1.57 0.00 0.00 175.55 173.94 1x05 s PHE 99 N 0.38 3.33 -0.14 2.71 0.08 -1.26 -2.36 117.98 120.72 1x05 s PHE 99 Ca -0.06 -1.74 -0.00 0.00 0.12 0.00 0.00 56.93 55.25 1x05 s PHE 99 Cb -0.10 -2.48 -0.01 0.00 -0.57 0.00 0.00 43.02 39.86 1x05 s PHE 99 CO 0.00 -0.81 -0.14 -0.51 -0.10 0.00 0.00 175.22 173.67 1x05 s LEU 100 N 1.32 2.64 -0.15 -0.37 2.01 -1.19 -2.61 118.68 120.33 1x05 s LEU 100 Ca -0.00 -0.37 -0.17 0.00 0.01 0.00 0.00 54.13 53.60 1x05 s LEU 100 Cb -0.21 -1.60 -0.04 0.00 0.01 0.00 0.00 46.19 44.36 1x05 s LEU 100 CO 0.00 0.14 0.41 -1.58 1.01 0.00 0.00 176.35 176.33 1x05 s GLN 101 N 0.51 4.29 -0.25 1.70 0.74 -1.13 -2.90 119.66 122.61 1x05 s GLN 101 Ca -0.09 0.31 -0.12 0.00 0.05 0.00 0.00 55.36 55.50 1x05 s GLN 101 Cb -0.16 -3.45 -0.05 0.00 1.10 0.00 0.00 33.01 30.45 1x05 s GLN 101 CO 0.04 0.14 0.25 0.00 -0.55 0.00 0.00 175.29 175.17 1x05 s ALA 102 N 0.73 3.57 0.10 1.58 0.00 0.27 -3.60 121.76 124.41 1x05 s ALA 102 Ca 0.22 -0.87 -0.20 0.00 0.00 0.00 0.00 51.96 51.10 1x05 s ALA 102 Cb -0.14 -2.50 -0.05 0.00 0.00 0.00 0.00 23.12 20.42 1x05 s ALA 102 CO 0.08 -0.42 1.35 0.00 0.00 0.00 0.00 175.76 176.78 1x05 h ALA 103 N 7.88 -0.39 -2.06 0.00 0.00 -1.90 -3.35 119.26 119.44 1x05 h ALA 103 Ca -0.35 0.07 -0.46 0.00 0.00 0.00 0.00 54.91 54.17 1x05 h ALA 103 Cb 1.17 1.21 0.03 0.00 0.00 0.00 0.00 17.79 20.20 1x05 h ALA 103 CO 0.63 -0.66 -0.12 0.95 0.00 0.00 0.00 179.25 180.06 1x05 s THR 104 N -4.65 4.10 -0.50 0.00 -4.23 -1.26 -4.74 115.64 104.36 1x05 s THR 104 Ca -0.08 -0.53 0.26 0.00 -1.18 0.00 0.00 61.69 60.16 1x05 s THR 104 Cb 0.07 -3.51 0.29 0.00 1.34 0.00 0.00 72.50 70.69 1x05 s THR 104 CO 0.41 -0.34 1.76 1.55 -0.54 0.00 0.00 174.62 177.45 1x05 h PRO 105 N 0.46 0.00 0.03 3.99 0.13 -1.96 -3.15 132.00 131.51 1x05 h PRO 105 Ca -0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1x05 h PRO 105 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1x05 h PRO 105 CO 0.57 0.00 -0.18 -0.22 -0.23 0.00 0.00 178.00 177.94 1x05 h LYS 106 N 0.00 0.07 -0.54 0.86 1.63 -1.94 -3.28 116.57 113.37 1x05 h LYS 106 Ca 0.00 -0.12 0.11 0.00 -0.85 0.00 0.00 60.65 59.79 1x05 h LYS 106 Cb 0.60 0.04 -0.10 0.00 -0.60 0.00 0.00 32.23 32.18 1x05 h LYS 106 CO 0.00 1.05 -0.05 1.49 -3.45 0.00 0.00 179.45 178.50 1x05 h GLU 107 N -0.85 0.07 -0.83 1.90 4.57 -1.91 0.48 114.58 118.00 1x05 h GLU 107 Ca -0.03 -0.00 0.19 0.00 -1.18 0.00 0.00 59.36 58.33 1x05 h GLU 107 Cb 1.14 -0.02 -0.12 0.00 -0.16 0.00 0.00 28.75 29.60 1x05 h GLU 107 CO 0.03 0.05 0.30 -0.09 -1.18 0.00 0.00 179.01 178.13 1x05 h ARG 108 N 0.07 0.35 0.02 1.92 2.43 -1.66 0.87 114.38 118.38 1x05 h ARG 108 Ca 0.27 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1x05 h ARG 108 Cb 0.43 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1x05 h ARG 108 CO -0.50 0.23 -0.01 1.15 -1.51 0.00 0.00 179.97 179.34 1x05 h THR 109 N 0.36 1.44 0.09 0.20 2.02 -0.87 -2.95 112.91 113.20 1x05 h THR 109 Ca 0.49 -1.47 0.02 0.00 0.77 0.00 0.00 66.41 66.23 1x05 h THR 109 Cb 0.89 2.42 -0.05 0.00 -1.74 0.00 0.00 68.15 69.67 1x05 h THR 109 CO -0.51 0.37 -0.39 -0.33 0.37 0.00 0.00 175.52 175.03 1x05 h GLU 110 N -0.66 -0.58 -0.65 6.66 5.08 0.99 -1.65 114.58 123.76 1x05 h GLU 110 Ca -0.00 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 1x05 h GLU 110 Cb 0.63 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.91 1x05 h GLU 110 CO 0.00 -0.39 -0.54 -1.49 -1.00 0.00 0.00 179.01 175.60 1x05 h TRP 111 N -0.60 -1.67 -0.34 4.33 -0.00 0.62 1.72 115.95 120.01 1x05 h TRP 111 Ca 0.03 0.10 0.03 0.00 -0.00 0.00 0.00 58.89 59.05 1x05 h TRP 111 Cb 0.64 0.82 -0.04 0.00 -0.00 0.00 0.00 29.16 30.58 1x05 h TRP 111 CO -0.36 -0.44 -0.22 0.82 -0.00 0.00 0.00 178.44 178.25 1x05 h ILE 112 N -0.23 0.00 -0.43 1.49 2.04 -1.22 1.66 117.51 120.83 1x05 h ILE 112 Ca 0.13 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.12 1x05 h ILE 112 Cb 0.53 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1x05 h ILE 112 CO -0.74 0.00 0.31 0.11 0.00 0.00 0.00 178.15 177.83 1x05 h LYS 113 N -0.03 0.00 0.64 2.37 1.57 -0.23 0.11 116.57 121.01 1x05 h LYS 113 Ca 0.05 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1x05 h LYS 113 Cb 0.17 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.48 1x05 h LYS 113 CO -0.33 0.00 -0.31 0.00 -0.57 0.00 0.00 179.45 178.24 1x05 h ALA 114 N 1.78 -0.86 -0.98 3.86 0.00 1.36 0.46 119.26 124.88 1x05 h ALA 114 Ca 0.20 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1x05 h ALA 114 Cb 0.82 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1x05 h ALA 114 CO -0.00 -0.92 0.64 0.82 0.00 0.00 0.00 179.25 179.79 1x05 h ILE 115 N -0.99 1.18 0.04 0.00 5.03 0.18 -2.18 117.51 120.76 1x05 h ILE 115 Ca -0.09 -0.43 -0.00 0.00 -0.12 0.00 0.00 64.86 64.22 1x05 h ILE 115 Cb 0.70 -0.18 0.00 0.00 -3.03 0.00 0.00 36.82 34.30 1x05 h ILE 115 CO 0.14 0.23 -0.02 1.56 -0.68 0.00 0.00 178.15 179.38 1x05 h GLN 116 N 1.25 -0.05 -0.79 2.37 4.20 -0.61 0.82 115.11 122.29 1x05 h GLN 116 Ca 0.39 0.00 0.17 0.00 0.06 0.00 0.00 58.65 59.27 1x05 h GLN 116 Cb -0.01 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 27.67 1x05 h GLN 116 CO -0.12 -0.01 0.30 1.98 -0.67 0.00 0.00 178.83 180.31 1x05 h MET 117 N -0.08 0.39 0.26 1.46 1.85 0.52 1.40 114.93 120.73 1x05 h MET 117 Ca -0.01 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.05 1x05 h MET 117 Cb 0.07 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.01 1x05 h MET 117 CO 0.01 0.26 -0.12 0.00 -0.40 0.00 0.00 176.91 176.65 1x05 h ALA 118 N 1.61 -0.35 -1.13 0.39 0.00 -1.04 -3.20 119.26 115.54 1x05 h ALA 118 Ca 0.46 -0.09 0.32 0.00 0.00 0.00 0.00 54.91 55.60 1x05 h ALA 118 Cb 0.76 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.60 1x05 h ALA 118 CO -0.46 -0.33 0.75 0.66 0.00 0.00 0.00 179.25 179.88 1x05 h SER 119 N -1.09 0.30 -0.36 0.00 4.64 0.10 1.27 113.55 118.41 1x05 h SER 119 Ca -0.04 0.07 0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1x05 h SER 119 Cb 0.29 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1x05 h SER 119 CO 0.06 0.02 0.24 0.03 -0.87 0.00 0.00 176.83 176.31 1x05 h ARG 120 N 0.24 0.44 0.00 4.77 2.47 0.19 -3.43 114.38 119.06 1x05 h ARG 120 Ca 0.63 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.32 1x05 h ARG 120 Cb 1.89 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 30.11 1x05 h ARG 120 CO -0.24 0.29 0.00 0.25 0.56 0.00 0.00 179.97 180.83 1x05 n THR 121 N -4.48 0.00 0.17 2.04 -2.24 0.44 -3.43 114.28 106.77 1x05 n THR 121 Ca 0.03 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.83 1x05 n THR 121 Cb 0.09 0.00 0.28 0.00 -2.10 0.00 0.00 70.33 68.60 1x05 n THR 121 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1x05 h GLY 122 N 0.00 0.00 0.00 3.38 0.00 -1.91 -3.47 103.07 101.07 1x05 h GLY 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1x05 h GLY 122 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71 1x05 n LYS 123 N -3.73 0.00 -3.83 4.80 3.00 -1.22 -4.48 118.16 112.70 1x05 n LYS 123 Ca -0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.01 1x05 n LYS 123 Cb 0.53 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.41 1x05 n LYS 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1x05 s SER 124 N -2.42 3.74 0.00 3.14 0.15 -1.26 -5.09 113.70 111.96 1x05 s SER 124 Ca 0.00 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 55.34 1x05 s SER 124 Cb 0.00 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 63.34 1x05 s SER 124 CO 0.00 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.73 1x05 n GLY 125 N 4.79 2.74 0.07 9.45 0.00 -1.26 -5.03 105.19 115.94 1x05 n GLY 125 Ca -0.07 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 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 0.02 0.00 1.61 0.13 -1.98 -3.48 132.00 128.30 1x05 h PRO 126 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1x05 h PRO 126 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1x05 h PRO 126 CO 0.00 0.77 0.00 -1.13 -0.23 0.00 0.00 178.00 177.41 1x05 n SER 127 N -4.70 -2.17 0.18 1.44 3.41 -1.26 -5.06 113.62 105.47 1x05 n SER 127 Ca -0.09 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1x05 n SER 127 Cb 0.38 2.21 0.00 0.00 -0.26 0.00 0.00 64.21 66.54 1x05 n SER 127 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x05 n SER 128 N -3.05 -3.02 0.00 4.04 2.88 -1.26 -5.03 113.62 108.19 1x05 n SER 128 Ca 0.00 0.70 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 1x05 n SER 128 Cb 0.00 2.90 0.00 0.00 -0.75 0.00 0.00 64.21 66.36 1x05 n SER 128 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42