#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 4.36 0.26 1.61 0.01 -1.26 -5.10 113.70 113.58 1x05 s SER 2 Ca 0.00 -2.05 0.03 0.00 1.31 0.00 0.00 55.95 55.24 1x05 s SER 2 Cb 0.00 -1.28 -0.05 0.00 0.21 0.00 0.00 66.02 64.89 1x05 s SER 2 CO 0.00 -0.37 0.05 -0.55 0.41 0.00 0.00 173.24 172.77 1x05 s SER 3 N 1.06 1.69 0.00 2.44 0.15 -1.26 -5.04 113.70 112.74 1x05 s SER 3 Ca 0.11 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 55.45 1x05 s SER 3 Cb -0.19 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 1x05 s SER 3 CO -0.14 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.30 1x05 n GLY 4 N -0.49 0.76 2.18 9.45 0.00 -1.26 -5.09 105.19 110.75 1x05 n GLY 4 Ca -0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.35 -3.98 1.61 2.88 -1.26 -5.07 113.62 106.45 1x05 n SER 5 Ca 0.00 0.84 -0.15 0.00 -1.33 0.00 0.00 58.87 58.23 1x05 n SER 5 Cb 0.00 -3.66 -0.14 0.00 -0.75 0.00 0.00 64.21 59.66 1x05 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x05 s SER 6 N -0.47 0.65 0.00 -3.46 1.04 -1.26 -5.02 113.70 105.18 1x05 s SER 6 Ca -0.17 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1x05 s SER 6 Cb 0.01 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1x05 s SER 6 CO 0.50 0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.34 1x05 n GLY 7 N 2.69 -2.18 3.27 7.32 0.00 -1.26 -5.16 105.19 109.86 1x05 n GLY 7 Ca -0.15 0.69 -0.15 0.00 0.00 0.00 0.00 46.02 46.41 1x05 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x05 s VAL 8 N -0.36 0.20 0.55 1.61 0.11 -1.26 -5.13 120.40 116.12 1x05 s VAL 8 Ca 0.00 -2.00 -0.20 0.00 -2.93 0.00 0.00 61.98 56.85 1x05 s VAL 8 Cb 0.00 -2.53 -0.07 0.00 -1.53 0.00 0.00 36.38 32.24 1x05 s VAL 8 CO 0.00 0.00 0.82 -0.38 -3.33 0.00 0.00 175.10 172.21 1x05 n ILE 9 N -0.42 2.93 -4.45 7.04 2.08 -1.26 -5.00 119.36 120.27 1x05 n ILE 9 Ca 0.02 -0.50 -0.21 0.00 0.56 0.00 0.00 62.75 62.62 1x05 n ILE 9 Cb 0.65 -0.98 -0.14 0.00 -0.75 0.00 0.00 39.64 38.43 1x05 n ILE 9 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1x05 s LEU 10 N -0.72 2.15 0.00 1.39 0.20 -1.26 -5.15 118.68 115.29 1x05 s LEU 10 Ca 0.71 -0.44 0.00 0.00 0.69 0.00 0.00 54.13 55.09 1x05 s LEU 10 Cb -0.46 -0.69 0.00 0.00 -0.43 0.00 0.00 46.19 44.61 1x05 s LEU 10 CO 0.52 0.08 0.00 0.29 -0.29 0.00 0.00 176.35 176.94 1x05 n LYS 11 N 2.01 0.37 -0.13 1.98 5.02 -1.26 -5.02 118.16 121.13 1x05 n LYS 11 Ca -0.17 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.85 1x05 n LYS 11 Cb 0.54 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.47 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 -0.76 0.56 0.28 1.97 -0.58 -1.26 -3.79 120.64 117.06 1x05 n GLU 12 Ca 0.00 0.24 0.15 0.00 -0.42 0.00 0.00 57.16 57.13 1x05 n GLU 12 Cb 0.00 -1.44 0.79 0.00 -0.57 0.00 0.00 31.44 30.23 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 -0.95 0.00 0.00 3.49 9.09 -2.00 0.40 114.58 124.61 1x05 h GLU 13 Ca -0.61 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 58.51 1x05 h GLU 13 Cb 1.53 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.58 1x05 h GLU 13 CO -0.37 0.00 -1.70 1.19 0.05 0.00 0.00 179.01 178.18 1x05 n PHE 14 N -2.70 1.02 -0.54 2.06 3.01 -1.26 -4.07 117.46 114.97 1x05 n PHE 14 Ca -0.02 0.37 0.43 0.00 1.01 0.00 0.00 57.45 59.24 1x05 n PHE 14 Cb 0.26 -1.19 0.69 0.00 -0.01 0.00 0.00 39.48 39.23 1x05 n PHE 14 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1x05 n ARG 15 N -3.05 -0.02 0.00 -1.08 5.12 0.14 -4.27 116.66 113.50 1x05 n ARG 15 Ca -0.17 1.10 0.00 0.00 -1.93 0.00 0.00 57.85 56.85 1x05 n ARG 15 Cb 1.05 -2.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 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 -1.65 -1.84 3.49 -0.13 0.00 -1.25 -5.04 105.19 98.77 1x05 n GLY 16 Ca 0.39 -1.48 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.31 1.31 0.26 1.61 0.11 -1.26 -5.02 120.40 117.10 1x05 s VAL 17 Ca 0.00 -2.00 0.05 0.00 -2.93 0.00 0.00 61.98 57.10 1x05 s VAL 17 Cb 0.00 -2.80 -0.03 0.00 -1.53 0.00 0.00 36.38 32.02 1x05 s VAL 17 CO 0.00 0.00 0.39 -0.63 -3.33 0.00 0.00 175.10 171.53 1x05 s ILE 18 N -3.17 5.13 0.00 7.04 1.01 -1.26 -3.25 121.20 126.69 1x05 s ILE 18 Ca 0.35 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1x05 s ILE 18 Cb 0.09 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1x05 s ILE 18 CO 0.16 -0.33 0.00 2.30 0.00 0.00 0.00 174.94 177.06 1x05 n ILE 19 N -1.47 0.00 -3.66 2.92 -0.00 -0.90 -4.91 119.36 111.33 1x05 n ILE 19 Ca -0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.58 1x05 n ILE 19 Cb 0.57 -0.45 -0.09 0.00 -0.00 0.00 0.00 39.64 39.67 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 -1.78 0.59 0.10 6.28 2.20 -1.25 -5.07 119.74 120.80 1x05 s LYS 20 Ca 0.00 1.03 -0.11 0.00 -0.36 0.00 0.00 55.97 56.53 1x05 s LYS 20 Cb 0.00 0.09 0.01 0.00 -1.51 0.00 0.00 37.83 36.42 1x05 s LYS 20 CO 0.00 -0.15 0.24 1.14 -0.36 0.00 0.00 175.35 176.22 1x05 s GLN 21 N 1.44 0.89 0.00 4.03 0.00 -1.26 -1.72 119.66 123.04 1x05 s GLN 21 Ca -0.09 -0.89 0.00 0.00 -0.00 0.00 0.00 55.36 54.38 1x05 s GLN 21 Cb -0.06 0.37 0.00 0.00 0.00 0.00 0.00 33.01 33.32 1x05 s GLN 21 CO -0.15 -0.30 0.00 0.41 0.00 0.00 0.00 175.29 175.24 1x05 n GLY 22 N -0.08 -0.58 3.89 2.60 0.00 -0.54 -5.00 105.19 105.48 1x05 n GLY 22 Ca -0.15 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.42 0.67 -0.58 0.00 1.43 0.50 -4.85 118.68 113.43 1x05 s LEU 24 Ca 0.38 -0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 53.18 1x05 s LEU 24 Cb -0.13 1.53 0.13 0.00 0.03 0.00 0.00 46.19 47.75 1x05 s LEU 24 CO 0.22 -0.65 0.59 -0.76 0.23 0.00 0.00 176.35 175.98 1x05 s LEU 25 N -2.10 5.96 -0.32 1.79 2.01 -1.24 -0.29 118.68 124.49 1x05 s LEU 25 Ca -0.04 -1.74 -0.20 0.00 0.01 0.00 0.00 54.13 52.15 1x05 s LEU 25 Cb -0.01 -2.24 -0.01 0.00 0.01 0.00 0.00 46.19 43.95 1x05 s LEU 25 CO -0.04 -0.93 0.64 -0.75 1.01 0.00 0.00 176.35 176.29 1x05 s LYS 26 N 1.86 3.85 0.44 1.70 2.20 -1.16 -3.13 119.74 125.51 1x05 s LYS 26 Ca 0.07 0.26 -0.07 0.00 -0.36 0.00 0.00 55.97 55.86 1x05 s LYS 26 Cb -0.27 -3.75 -0.05 0.00 -1.51 0.00 0.00 37.83 32.26 1x05 s LYS 26 CO 0.03 -0.61 0.76 -0.65 -0.36 0.00 0.00 175.35 174.52 1x05 s GLN 27 N 2.65 3.63 0.00 4.03 -1.52 -1.16 -3.95 119.66 123.34 1x05 s GLN 27 Ca 0.25 0.28 0.00 0.00 -1.95 0.00 0.00 55.36 53.94 1x05 s GLN 27 Cb -0.15 -2.41 0.00 0.00 -0.22 0.00 0.00 33.01 30.24 1x05 s GLN 27 CO 0.13 -0.11 0.00 0.41 -0.25 0.00 0.00 175.29 175.47 1x05 n GLY 28 N -1.80 1.61 2.08 3.09 0.00 -1.26 -4.74 105.19 104.17 1x05 n GLY 28 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 -3.28 -0.13 1.61 -0.00 -1.26 -4.92 115.22 107.24 1x05 n HIS 29 Ca 0.00 0.84 -0.12 0.00 0.46 0.00 0.00 57.72 58.90 1x05 n HIS 29 Cb 0.00 1.73 -0.02 0.00 -0.12 0.00 0.00 29.99 31.58 1x05 n HIS 29 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 1x05 h ARG 30 N 0.00 0.78 -6.65 1.57 2.43 -2.00 -3.43 114.38 107.08 1x05 h ARG 30 Ca 0.00 -0.32 -0.53 0.00 -0.81 0.00 0.00 59.98 58.32 1x05 h ARG 30 Cb 0.00 -0.03 0.06 0.00 -0.42 0.00 0.00 29.97 29.58 1x05 h ARG 30 CO 0.00 0.94 1.00 0.54 -1.51 0.00 0.00 179.97 180.93 1x05 n ARG 31 N -4.30 2.74 0.00 0.20 3.00 -1.26 -4.94 116.66 112.09 1x05 n ARG 31 Ca -0.02 0.99 0.00 0.00 -0.01 0.00 0.00 57.85 58.81 1x05 n ARG 31 Cb 0.39 -2.83 0.00 0.00 0.00 0.00 0.00 32.46 30.02 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 3.89 0.00 -0.20 5.56 4.76 -1.26 -4.72 118.16 126.20 1x05 n LYS 32 Ca 0.16 0.23 -0.05 0.00 -2.87 0.00 0.00 58.31 55.78 1x05 n LYS 32 Cb 0.34 -0.93 0.04 0.00 -1.84 0.00 0.00 35.03 32.65 1x05 n LYS 32 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1x05 n ASN 33 N -1.20 -1.12 -4.96 4.39 5.15 -1.26 -5.01 115.26 111.26 1x05 n ASN 33 Ca 0.00 -0.65 -0.20 0.00 -0.60 0.00 0.00 54.58 53.14 1x05 n ASN 33 Cb 0.00 -0.18 0.05 0.00 -0.53 0.00 0.00 39.78 39.12 1x05 n ASN 33 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1x05 s TRP 34 N -1.36 2.12 -0.10 1.20 0.52 -1.26 -4.84 118.94 115.21 1x05 s TRP 34 Ca 0.13 -0.44 -0.02 0.00 0.02 0.00 0.00 56.10 55.79 1x05 s TRP 34 Cb -0.01 -2.48 0.04 0.00 -1.15 0.00 0.00 33.47 29.87 1x05 s TRP 34 CO 0.10 -0.96 0.04 0.15 0.02 0.00 0.00 176.95 176.30 1x05 s LYS 35 N -4.65 0.34 0.40 4.98 1.02 -1.25 -5.04 119.74 115.54 1x05 s LYS 35 Ca 0.60 0.04 -0.27 0.00 0.02 0.00 0.00 55.97 56.36 1x05 s LYS 35 Cb -0.08 -1.23 -0.10 0.00 -0.52 0.00 0.00 37.83 35.90 1x05 s LYS 35 CO 0.38 -0.44 1.46 0.28 -0.92 0.00 0.00 175.35 176.10 1x05 n VAL 36 N 5.19 2.26 -3.79 3.17 0.31 -1.26 -2.97 118.33 121.24 1x05 n VAL 36 Ca -0.06 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.68 1x05 n VAL 36 Cb 0.49 -1.91 -0.03 0.00 -0.91 0.00 0.00 33.84 31.49 1x05 n VAL 36 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1x05 s ARG 37 N -2.20 1.59 -0.04 5.55 0.52 0.60 -4.76 118.95 120.21 1x05 s ARG 37 Ca 0.56 -0.93 -0.06 0.00 -0.52 0.00 0.00 55.73 54.78 1x05 s ARG 37 Cb -0.47 0.57 -0.04 0.00 0.52 0.00 0.00 34.95 35.52 1x05 s ARG 37 CO 0.62 -0.70 0.20 0.21 0.02 0.00 0.00 175.30 175.64 1x05 s LYS 38 N -3.90 3.50 -0.13 3.54 2.20 -0.29 0.19 119.74 124.84 1x05 s LYS 38 Ca 0.11 -0.16 -0.03 0.00 -0.36 0.00 0.00 55.97 55.53 1x05 s LYS 38 Cb -0.03 -3.13 0.05 0.00 -1.51 0.00 0.00 37.83 33.21 1x05 s LYS 38 CO 0.02 0.70 0.04 -0.06 -0.36 0.00 0.00 175.35 175.70 1x05 s PHE 39 N -1.21 0.63 -0.16 4.03 0.40 0.32 -1.84 117.98 120.14 1x05 s PHE 39 Ca 0.23 -0.41 -0.05 0.00 -0.60 0.00 0.00 56.93 56.11 1x05 s PHE 39 Cb -0.13 -0.83 -0.03 0.00 0.51 0.00 0.00 43.02 42.55 1x05 s PHE 39 CO 0.13 -0.46 -0.01 0.42 0.70 0.00 0.00 175.22 176.00 1x05 s ILE 40 N 1.99 4.11 -0.09 0.64 1.01 0.49 -1.47 121.20 127.88 1x05 s ILE 40 Ca 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 60.65 60.38 1x05 s ILE 40 Cb -0.15 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 1x05 s ILE 40 CO -0.07 0.48 -0.04 -0.22 0.00 0.00 0.00 174.94 175.09 1x05 s LEU 41 N 0.40 3.30 -0.05 2.97 2.96 -0.70 -0.30 118.68 127.26 1x05 s LEU 41 Ca -0.02 0.00 -0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1x05 s LEU 41 Cb -0.14 -1.75 0.04 0.00 0.50 0.00 0.00 46.19 44.84 1x05 s LEU 41 CO 0.02 0.33 0.10 0.00 -1.32 0.00 0.00 176.35 175.48 1x05 s ARG 42 N -0.59 0.01 -0.06 1.98 1.70 -0.39 -2.11 118.95 119.48 1x05 s ARG 42 Ca 0.09 0.37 -0.04 0.00 -0.47 0.00 0.00 55.73 55.68 1x05 s ARG 42 Cb -0.12 -0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 33.93 1x05 s ARG 42 CO 0.02 -0.24 0.16 -1.83 -1.08 0.00 0.00 175.30 172.33 1x05 s GLU 43 N 1.64 3.41 -0.57 3.89 -1.05 -1.20 -0.47 118.70 124.35 1x05 s GLU 43 Ca -0.03 -0.25 -0.16 0.00 -0.15 0.00 0.00 54.97 54.38 1x05 s GLU 43 Cb -0.12 -3.12 0.02 0.00 -0.44 0.00 0.00 34.13 30.47 1x05 s GLU 43 CO -0.04 0.72 0.64 -3.47 0.95 0.00 0.00 175.26 174.05 1x05 n ASP 44 N 1.39 -6.83 -4.78 0.83 -0.08 -1.26 -4.29 116.55 101.53 1x05 n ASP 44 Ca -0.15 -0.01 -0.29 0.00 -1.51 0.00 0.00 54.79 52.83 1x05 n ASP 44 Cb 0.54 -3.88 0.14 0.00 2.34 0.00 0.00 41.12 40.26 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 -3.03 1.13 -0.57 -0.67 0.04 -1.26 -4.40 135.00 126.24 1x05 s PRO 45 Ca 0.19 0.29 -0.15 0.00 0.04 0.00 0.00 61.00 61.36 1x05 s PRO 45 Cb -0.04 -1.84 0.14 0.00 0.04 0.00 0.00 34.50 32.81 1x05 s PRO 45 CO 0.81 -2.20 0.52 0.00 0.04 0.00 0.00 177.00 176.17 1x05 s ALA 46 N -3.28 3.69 0.06 8.56 0.00 -1.23 -4.68 121.76 124.88 1x05 s ALA 46 Ca 0.64 -2.63 -0.08 0.00 0.00 0.00 0.00 51.96 49.89 1x05 s ALA 46 Cb -0.15 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 1x05 s ALA 46 CO 0.53 -2.04 0.15 0.71 0.00 0.00 0.00 175.76 175.11 1x05 s TYR 47 N 1.42 0.17 -0.22 0.00 2.02 0.37 -2.46 117.35 118.65 1x05 s TYR 47 Ca 0.05 -0.51 0.00 0.00 -0.37 0.00 0.00 57.07 56.24 1x05 s TYR 47 Cb -0.28 -0.10 0.06 0.00 -0.40 0.00 0.00 41.96 41.24 1x05 s TYR 47 CO 0.01 -0.45 -0.05 -1.17 -1.57 0.00 0.00 175.55 172.32 1x05 s LEU 48 N -2.46 2.23 -0.11 -1.29 1.98 -0.85 -1.27 118.68 116.91 1x05 s LEU 48 Ca -0.00 -1.02 -0.03 0.00 -2.89 0.00 0.00 54.13 50.19 1x05 s LEU 48 Cb 0.02 -1.08 -0.03 0.00 0.66 0.00 0.00 46.19 45.76 1x05 s LEU 48 CO -0.07 -0.23 -0.00 -1.00 -1.89 0.00 0.00 176.35 173.16 1x05 s HIS 49 N 1.49 3.13 -0.13 5.38 3.76 0.59 -1.19 115.29 128.32 1x05 s HIS 49 Ca -0.04 0.05 0.01 0.00 -0.15 0.00 0.00 55.06 54.93 1x05 s HIS 49 Cb -0.18 -1.86 0.02 0.00 1.11 0.00 0.00 32.58 31.67 1x05 s HIS 49 CO -0.07 0.31 -0.13 1.52 -0.85 0.00 0.00 174.74 175.52 1x05 s TYR 50 N -0.44 1.92 0.28 1.40 1.13 -1.26 0.18 117.35 120.57 1x05 s TYR 50 Ca 0.08 -1.00 0.11 0.00 -1.41 0.00 0.00 57.07 54.85 1x05 s TYR 50 Cb -0.12 -1.44 -0.05 0.00 -1.10 0.00 0.00 41.96 39.25 1x05 s TYR 50 CO 0.02 -0.57 -0.11 0.71 -2.51 0.00 0.00 175.55 173.09 1x05 s TYR 51 N 1.39 2.46 0.42 -3.49 1.51 -0.77 -2.51 117.35 116.36 1x05 s TYR 51 Ca 0.01 -0.31 -0.26 0.00 -1.01 0.00 0.00 57.07 55.50 1x05 s TYR 51 Cb -0.13 -1.13 -0.10 0.00 -0.11 0.00 0.00 41.96 40.49 1x05 s TYR 51 CO -0.07 0.66 1.41 -3.47 -1.11 0.00 0.00 175.55 172.96 1x05 n ASP 52 N -0.75 3.25 -0.03 2.29 -0.08 -1.26 -1.14 116.55 118.83 1x05 n ASP 52 Ca -0.05 1.15 -0.12 0.00 -1.51 0.00 0.00 54.79 54.25 1x05 n ASP 52 Cb 0.60 -1.58 -0.10 0.00 2.34 0.00 0.00 41.12 42.38 1x05 n ASP 52 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1x05 h PRO 53 N 2.43 -0.04 -1.18 -0.67 0.13 -1.90 -3.23 132.00 127.54 1x05 h PRO 53 Ca -0.50 0.00 0.39 0.00 -0.87 0.00 0.00 66.00 65.03 1x05 h PRO 53 Cb 1.27 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.27 1x05 h PRO 53 CO 0.62 0.63 0.73 0.00 -0.23 0.00 0.00 178.00 179.75 1x05 h ALA 54 N 0.08 2.45 0.00 -0.56 0.00 -1.95 -3.44 119.26 115.84 1x05 h ALA 54 Ca -0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1x05 h ALA 54 Cb 0.69 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1x05 h ALA 54 CO 0.01 -1.08 0.00 0.41 0.00 0.00 0.00 179.25 178.59 1x05 n GLY 55 N -1.44 4.42 0.58 0.00 0.00 -1.22 -5.20 105.19 102.35 1x05 n GLY 55 Ca 0.35 -0.62 -0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.49 -0.40 0.10 4.61 0.00 -1.26 -4.71 120.51 117.36 1x05 n ALA 56 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1x05 n ALA 56 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.11 0.00 -2.51 0.00 1.02 -1.26 -5.02 120.64 112.76 1x05 n GLU 57 Ca -0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 1x05 n GLU 57 Cb 0.09 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.47 1x05 n GLU 57 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1x05 s ASP 58 N -4.59 6.59 0.09 1.62 1.47 -1.26 -5.01 116.67 115.58 1x05 s ASP 58 Ca 0.00 1.68 -0.30 0.00 1.18 0.00 0.00 52.55 55.11 1x05 s ASP 58 Cb 0.00 -2.53 -0.06 0.00 -0.34 0.00 0.00 42.92 39.99 1x05 s ASP 58 CO 0.00 -0.60 1.15 -2.16 0.68 0.00 0.00 175.17 174.24 1x05 s PRO 59 N -3.67 4.48 0.49 2.11 0.04 -1.26 -4.84 135.00 132.35 1x05 s PRO 59 Ca 0.61 1.73 0.20 0.00 0.04 0.00 0.00 61.00 63.58 1x05 s PRO 59 Cb -0.11 -3.34 1.26 0.00 0.04 0.00 0.00 34.50 32.35 1x05 s PRO 59 CO 0.25 -0.15 2.06 -0.07 0.04 0.00 0.00 177.00 179.12 1x05 h LEU 60 N 6.34 0.00 0.00 -3.56 3.38 -1.88 -3.47 115.31 116.12 1x05 h LEU 60 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 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 0.78 0.13 0.00 0.61 0.09 0.00 0.00 178.44 180.05 1x05 n GLY 61 N -1.00 2.07 3.62 0.83 0.00 -1.26 -5.06 105.19 104.40 1x05 n GLY 61 Ca -0.02 -0.66 -0.03 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.23 -0.23 4.61 0.00 -1.26 -4.32 121.76 117.33 1x05 s ALA 62 Ca 0.00 2.24 -0.08 0.00 0.00 0.00 0.00 51.96 54.12 1x05 s ALA 62 Cb 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 1x05 s ALA 62 CO 0.00 -0.43 0.09 0.42 0.00 0.00 0.00 175.76 175.84 1x05 s ILE 63 N 1.56 4.61 0.14 0.00 1.01 -0.33 -4.94 121.20 123.26 1x05 s ILE 63 Ca -0.09 -0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.18 1x05 s ILE 63 Cb -0.04 -3.14 -0.07 0.00 0.01 0.00 0.00 42.46 39.21 1x05 s ILE 63 CO -0.16 0.36 1.22 -2.28 0.00 0.00 0.00 174.94 174.08 1x05 s HIS 64 N 1.24 3.40 -0.16 3.97 2.46 -1.26 -2.01 115.29 122.93 1x05 s HIS 64 Ca 0.05 1.33 0.16 0.00 0.47 0.00 0.00 55.06 57.07 1x05 s HIS 64 Cb -0.14 -3.46 0.34 0.00 -0.13 0.00 0.00 32.58 29.18 1x05 s HIS 64 CO 0.04 -1.39 1.18 1.28 -2.47 0.00 0.00 174.74 173.38 1x05 n LEU 65 N 3.09 2.47 0.26 8.88 4.77 -1.03 -4.38 117.00 131.05 1x05 n LEU 65 Ca 0.07 -3.38 0.13 0.00 -0.03 0.00 0.00 56.01 52.80 1x05 n LEU 65 Cb 0.45 -0.46 0.73 0.00 -2.33 0.00 0.00 43.42 41.80 1x05 n LEU 65 CO 0.56 0.97 0.97 0.08 -1.33 0.00 0.00 177.39 178.64 1x05 h ARG 66 N 0.38 0.00 0.00 3.23 0.11 -1.88 -3.36 114.38 112.87 1x05 h ARG 66 Ca -0.00 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 1x05 h ARG 66 Cb 1.01 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.00 1x05 h ARG 66 CO 0.00 0.11 -0.18 0.41 0.10 0.00 0.00 179.97 180.41 1x05 n GLY 67 N -0.62 0.26 3.66 0.08 0.00 -1.26 -5.02 105.19 102.29 1x05 n GLY 67 Ca -0.02 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.85 2.24 -0.05 0.00 1.01 0.53 -4.96 120.40 116.33 1x05 s VAL 69 Ca 0.65 -1.78 0.05 0.00 0.00 0.00 0.00 61.98 60.91 1x05 s VAL 69 Cb -0.20 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 1x05 s VAL 69 CO 0.59 0.06 -0.20 -0.69 0.00 0.00 0.00 175.10 174.86 1x05 s VAL 70 N -1.12 2.56 0.25 2.92 1.01 -1.26 -1.07 120.40 123.68 1x05 s VAL 70 Ca 0.14 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 61.03 1x05 s VAL 70 Cb -0.10 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.34 1x05 s VAL 70 CO 0.06 0.58 0.63 0.28 0.00 0.00 0.00 175.10 176.65 1x05 s THR 71 N -0.52 0.00 0.06 3.92 -1.32 -0.29 -4.98 115.64 112.52 1x05 s THR 71 Ca 0.07 -0.96 0.05 0.00 -1.21 0.00 0.00 61.69 59.64 1x05 s THR 71 Cb -0.11 -1.88 -0.04 0.00 -1.51 0.00 0.00 72.50 68.96 1x05 s THR 71 CO 0.01 -0.02 -0.06 -0.44 -2.21 0.00 0.00 174.62 171.90 1x05 s SER 72 N -2.92 4.64 1.00 8.08 0.01 -1.26 -1.66 113.70 121.60 1x05 s SER 72 Ca 0.12 -0.24 -0.00 0.00 1.31 0.00 0.00 55.95 57.14 1x05 s SER 72 Cb -0.04 -1.02 0.00 0.00 0.21 0.00 0.00 66.02 65.17 1x05 s SER 72 CO 0.04 0.22 0.00 1.33 0.41 0.00 0.00 173.24 175.24 1x05 n VAL 73 N 0.99 0.00 -0.03 3.43 0.24 -1.21 -4.64 118.33 117.11 1x05 n VAL 73 Ca -0.13 -0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.21 1x05 n VAL 73 Cb 0.52 -0.88 -0.16 0.00 -1.47 0.00 0.00 33.84 31.86 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 -1.56 0.67 -1.69 7.34 0.28 -1.26 -4.94 120.64 119.47 1x05 n GLU 74 Ca 0.00 -0.11 -0.52 0.00 -0.16 0.00 0.00 57.16 56.37 1x05 n GLU 74 Cb 0.00 -1.55 -0.06 0.00 1.43 0.00 0.00 31.44 31.27 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 -2.45 2.92 -3.41 -1.84 2.88 -1.26 -4.92 113.62 105.54 1x05 n SER 75 Ca -0.13 1.03 0.02 0.00 -1.33 0.00 0.00 58.87 58.45 1x05 n SER 75 Cb 0.76 -1.27 -0.03 0.00 -0.75 0.00 0.00 64.21 62.92 1x05 n SER 75 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1x05 s ASN 76 N 3.59 -0.91 -0.29 -3.46 3.84 -1.26 -4.80 114.94 111.65 1x05 s ASN 76 Ca 0.94 1.02 -0.16 0.00 0.21 0.00 0.00 52.86 54.87 1x05 s ASN 76 Cb -0.86 1.95 0.13 0.00 -0.55 0.00 0.00 41.25 41.91 1x05 s ASN 76 CO 0.57 -0.17 0.89 -0.94 -2.79 0.00 0.00 177.10 174.66 1x05 s SER 77 N 2.74 -0.65 -0.80 -4.21 1.04 -1.26 -5.10 113.70 105.46 1x05 s SER 77 Ca 0.01 1.02 -0.20 0.00 0.48 0.00 0.00 55.95 57.25 1x05 s SER 77 Cb -0.10 1.31 0.10 0.00 0.10 0.00 0.00 66.02 67.43 1x05 s SER 77 CO -0.18 -0.16 1.04 0.21 0.98 0.00 0.00 173.24 175.13 1x05 s ASN 78 N 1.53 6.41 0.00 7.02 2.47 -1.26 -4.82 114.94 126.28 1x05 s ASN 78 Ca -0.09 -1.56 0.00 0.00 0.42 0.00 0.00 52.86 51.63 1x05 s ASN 78 Cb -0.04 -2.40 0.00 0.00 -1.45 0.00 0.00 41.25 37.35 1x05 s ASN 78 CO -0.16 -1.23 0.00 0.61 -3.72 0.00 0.00 177.10 172.59 1x05 n GLY 79 N 5.45 0.50 1.10 1.21 0.00 -1.26 -5.12 105.19 107.07 1x05 n GLY 79 Ca 0.11 -1.61 0.14 0.00 0.00 0.00 0.00 46.02 44.66 1x05 n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x05 n ARG 80 N 0.00 -2.49 -0.30 1.61 3.00 -1.26 -4.88 116.66 112.34 1x05 n ARG 80 Ca 0.00 1.96 -0.26 0.00 -0.01 0.00 0.00 57.85 59.55 1x05 n ARG 80 Cb 0.00 -2.93 0.25 0.00 0.00 0.00 0.00 32.46 29.78 1x05 n ARG 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1x05 n LYS 81 N -3.83 -3.82 -3.33 5.56 0.00 -1.26 -4.93 118.16 106.56 1x05 n LYS 81 Ca -0.05 -1.23 -0.41 0.00 0.00 0.00 0.00 58.31 56.62 1x05 n LYS 81 Cb 0.52 -1.76 -0.09 0.00 0.00 0.00 0.00 35.03 33.71 1x05 n LYS 81 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1x05 s SER 82 N -2.76 6.24 0.23 3.14 1.04 -1.26 -4.80 113.70 115.53 1x05 s SER 82 Ca 0.56 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1x05 s SER 82 Cb -0.10 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.79 1x05 s SER 82 CO 0.47 -0.42 0.00 1.21 0.98 0.00 0.00 173.24 175.48 1x05 n GLU 83 N 5.56 0.00 -3.79 4.02 2.13 -1.26 -5.10 120.64 122.20 1x05 n GLU 83 Ca -0.07 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.51 1x05 n GLU 83 Cb 0.49 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 32.03 1x05 n GLU 83 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1x05 s GLU 84 N -1.72 0.74 0.00 5.31 2.02 -1.26 -5.14 118.70 118.65 1x05 s GLU 84 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.04 1x05 s GLU 84 Cb 0.00 -1.07 0.00 0.00 0.10 0.00 0.00 34.13 33.16 1x05 s GLU 84 CO 0.00 -0.30 0.00 0.39 0.02 0.00 0.00 175.26 175.37 1x05 n GLU 85 N 5.12 3.43 -2.70 1.61 1.02 -1.26 -4.93 120.64 122.93 1x05 n GLU 85 Ca -0.08 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.63 1x05 n GLU 85 Cb 0.50 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.90 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 -1.00 7.00 0.24 1.62 0.01 -1.26 -4.89 114.94 116.67 1x05 s ASN 86 Ca 0.00 1.22 0.06 0.00 -0.71 0.00 0.00 52.86 53.44 1x05 s ASN 86 Cb 0.00 -2.52 -0.05 0.00 0.41 0.00 0.00 41.25 39.09 1x05 s ASN 86 CO 0.00 -0.69 -0.08 -0.76 -1.51 0.00 0.00 177.10 174.06 1x05 s LEU 87 N 3.23 2.47 -0.12 0.60 1.43 -1.26 0.39 118.68 125.42 1x05 s LEU 87 Ca 0.42 -1.12 -0.17 0.00 -1.03 0.00 0.00 54.13 52.23 1x05 s LEU 87 Cb -0.14 -0.57 0.04 0.00 0.03 0.00 0.00 46.19 45.55 1x05 s LEU 87 CO 0.08 -0.31 0.44 0.72 0.23 0.00 0.00 176.35 177.51 1x05 s PHE 88 N -3.08 -0.43 -0.13 0.29 -0.12 -0.88 -3.33 117.98 110.29 1x05 s PHE 88 Ca 0.26 0.97 -0.07 0.00 -0.05 0.00 0.00 56.93 58.04 1x05 s PHE 88 Cb 0.02 0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.55 1x05 s PHE 88 CO 0.09 -0.31 0.14 -2.00 -0.05 0.00 0.00 175.22 173.09 1x05 s GLU 89 N -0.26 3.54 -0.26 1.99 2.12 -0.66 -2.43 118.70 122.73 1x05 s GLU 89 Ca -0.04 -0.13 -0.00 0.00 0.36 0.00 0.00 54.97 55.15 1x05 s GLU 89 Cb -0.03 -3.22 0.08 0.00 0.26 0.00 0.00 34.13 31.22 1x05 s GLU 89 CO 0.02 0.72 0.03 0.42 -0.54 0.00 0.00 175.26 175.92 1x05 s ILE 90 N -0.86 1.11 0.28 -3.70 1.01 -0.93 -1.14 121.20 116.98 1x05 s ILE 90 Ca 0.14 -1.24 -0.23 0.00 0.00 0.00 0.00 60.65 59.33 1x05 s ILE 90 Cb -0.12 -1.65 -0.09 0.00 0.01 0.00 0.00 42.46 40.61 1x05 s ILE 90 CO 0.03 -0.39 0.84 -0.63 0.00 0.00 0.00 174.94 174.79 1x05 s ILE 91 N 1.54 4.39 0.54 2.92 1.01 -0.24 -3.14 121.20 128.23 1x05 s ILE 91 Ca 0.03 1.55 0.06 0.00 0.00 0.00 0.00 60.65 62.28 1x05 s ILE 91 Cb -0.18 -3.92 0.04 0.00 0.01 0.00 0.00 42.46 38.41 1x05 s ILE 91 CO -0.14 0.15 0.43 0.42 0.00 0.00 0.00 174.94 175.79 1x05 s THR 92 N -1.60 1.73 -0.29 2.92 -4.23 -0.63 0.20 115.64 113.73 1x05 s THR 92 Ca 0.47 -1.46 0.22 0.00 -1.18 0.00 0.00 61.69 59.75 1x05 s THR 92 Cb -0.17 -2.19 0.22 0.00 1.34 0.00 0.00 72.50 71.71 1x05 s THR 92 CO 0.22 0.00 1.67 0.00 -0.54 0.00 0.00 174.62 175.97 1x05 n ALA 93 N -1.78 1.23 1.12 3.99 0.00 -1.26 0.54 120.51 124.34 1x05 n ALA 93 Ca -0.00 0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.72 1x05 n ALA 93 Cb 0.64 -1.33 0.18 0.00 0.00 0.00 0.00 19.45 18.94 1x05 n ALA 93 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1x05 n ASP 94 N -2.25 1.49 0.00 0.00 2.03 -1.26 -4.92 116.55 111.65 1x05 n ASP 94 Ca -0.00 -1.18 0.00 0.00 0.52 0.00 0.00 54.79 54.13 1x05 n ASP 94 Cb 0.09 0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 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 -0.39 0.00 -1.79 -0.67 1.02 0.19 -4.99 120.64 114.01 1x05 n GLU 95 Ca 0.10 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.83 1x05 n GLU 95 Cb 0.40 -1.96 -0.02 0.00 -0.02 0.00 0.00 31.44 29.84 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 -3.55 2.14 -0.05 2.62 1.01 -1.26 -4.57 120.40 116.75 1x05 s VAL 96 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 1x05 s VAL 96 Cb 0.00 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1x05 s VAL 96 CO 0.00 0.01 0.06 -1.00 0.00 0.00 0.00 175.10 174.17 1x05 s HIS 97 N 0.57 3.28 -0.06 5.22 3.76 -1.26 -1.60 115.29 125.20 1x05 s HIS 97 Ca 0.68 0.25 -0.02 0.00 -0.15 0.00 0.00 55.06 55.82 1x05 s HIS 97 Cb -0.48 -1.78 0.03 0.00 1.11 0.00 0.00 32.58 31.46 1x05 s HIS 97 CO 0.40 0.55 0.03 0.71 -0.85 0.00 0.00 174.74 175.57 1x05 s TYR 98 N -1.06 0.38 -0.42 1.40 2.02 -1.19 -4.95 117.35 113.54 1x05 s TYR 98 Ca 0.18 0.03 -0.14 0.00 -0.37 0.00 0.00 57.07 56.77 1x05 s TYR 98 Cb -0.12 -0.64 0.03 0.00 -0.40 0.00 0.00 41.96 40.83 1x05 s TYR 98 CO 0.08 -0.26 0.30 -0.06 -1.57 0.00 0.00 175.55 174.05 1x05 s PHE 99 N 2.02 3.24 -0.10 2.71 0.40 -1.26 -2.18 117.98 122.81 1x05 s PHE 99 Ca 0.04 -0.71 0.01 0.00 -0.60 0.00 0.00 56.93 55.68 1x05 s PHE 99 Cb -0.12 -2.67 -0.02 0.00 0.51 0.00 0.00 43.02 40.72 1x05 s PHE 99 CO -0.04 -0.63 -0.13 -0.51 0.70 0.00 0.00 175.22 174.60 1x05 s LEU 100 N 1.65 2.75 -0.17 -0.37 2.01 -1.02 -2.99 118.68 120.53 1x05 s LEU 100 Ca 0.04 -0.27 -0.14 0.00 0.01 0.00 0.00 54.13 53.78 1x05 s LEU 100 Cb -0.20 -1.60 -0.05 0.00 0.01 0.00 0.00 46.19 44.36 1x05 s LEU 100 CO 0.09 0.23 0.29 -1.58 1.01 0.00 0.00 176.35 176.39 1x05 s GLN 101 N -0.04 4.23 -0.23 1.70 0.74 -1.18 -2.07 119.66 122.81 1x05 s GLN 101 Ca -0.03 0.06 -0.12 0.00 0.05 0.00 0.00 55.36 55.33 1x05 s GLN 101 Cb -0.14 -3.45 -0.05 0.00 1.10 0.00 0.00 33.01 30.47 1x05 s GLN 101 CO 0.04 0.19 0.21 0.00 -0.55 0.00 0.00 175.29 175.18 1x05 s ALA 102 N 0.62 3.60 0.09 1.58 0.00 0.16 -3.73 121.76 124.08 1x05 s ALA 102 Ca 0.16 -0.81 -0.17 0.00 0.00 0.00 0.00 51.96 51.14 1x05 s ALA 102 Cb -0.13 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 1x05 s ALA 102 CO 0.04 -0.20 1.28 0.00 0.00 0.00 0.00 175.76 176.87 1x05 n ALA 103 N 4.30 -0.34 -2.39 0.00 0.00 -1.26 -4.10 120.51 116.71 1x05 n ALA 103 Ca -0.14 0.46 -0.22 0.00 0.00 0.00 0.00 53.44 53.54 1x05 n ALA 103 Cb 0.52 0.15 0.01 0.00 0.00 0.00 0.00 19.45 20.12 1x05 n ALA 103 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1x05 s THR 104 N -4.35 4.07 -0.85 0.00 -4.23 -1.26 -4.77 115.64 104.24 1x05 s THR 104 Ca -0.06 -0.68 0.23 0.00 -1.18 0.00 0.00 61.69 60.00 1x05 s THR 104 Cb 0.06 -3.47 0.21 0.00 1.34 0.00 0.00 72.50 70.64 1x05 s THR 104 CO 0.33 -0.28 1.72 -0.81 -0.54 0.00 0.00 174.62 175.04 1x05 n PRO 105 N -1.91 0.08 -0.01 3.99 -0.04 -1.26 -2.55 135.00 133.30 1x05 n PRO 105 Ca 0.00 0.20 -0.08 0.00 -0.04 0.00 0.00 63.50 63.58 1x05 n PRO 105 Cb 0.58 -1.63 -0.14 0.00 -0.04 0.00 0.00 33.50 32.28 1x05 n PRO 105 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1x05 h LYS 106 N 0.00 0.00 -0.50 0.54 3.64 -1.94 -3.31 116.57 115.00 1x05 h LYS 106 Ca 0.00 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1x05 h LYS 106 Cb 0.44 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1x05 h LYS 106 CO 0.00 0.59 -0.15 1.49 -2.27 0.00 0.00 179.45 179.11 1x05 h GLU 107 N 0.00 0.97 -0.52 1.90 4.81 -1.84 0.18 114.58 120.08 1x05 h GLU 107 Ca -0.24 -0.37 0.02 0.00 -0.13 0.00 0.00 59.36 58.64 1x05 h GLU 107 Cb 1.97 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 31.26 1x05 h GLU 107 CO 0.09 1.04 0.32 -0.09 -0.73 0.00 0.00 179.01 179.64 1x05 h ARG 108 N 0.86 0.62 0.03 1.92 1.12 -1.66 0.15 114.38 117.42 1x05 h ARG 108 Ca 0.13 -0.04 -0.00 0.00 -1.11 0.00 0.00 59.98 58.96 1x05 h ARG 108 Cb 0.71 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.53 1x05 h ARG 108 CO 0.05 0.41 -0.02 1.15 -3.11 0.00 0.00 179.97 178.46 1x05 h THR 109 N 0.64 1.27 -0.09 0.20 2.02 -1.61 -2.85 112.91 112.50 1x05 h THR 109 Ca 0.20 -1.00 0.04 0.00 0.77 0.00 0.00 66.41 66.42 1x05 h THR 109 Cb -0.00 1.94 -0.06 0.00 -1.74 0.00 0.00 68.15 68.28 1x05 h THR 109 CO -0.08 0.25 -0.36 -0.33 0.37 0.00 0.00 175.52 175.37 1x05 h GLU 110 N -0.49 -0.44 -0.54 6.66 5.08 -0.76 -1.44 114.58 122.65 1x05 h GLU 110 Ca -0.00 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1x05 h GLU 110 Cb 0.45 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.72 1x05 h GLU 110 CO 0.01 -0.30 -0.51 -1.49 -1.00 0.00 0.00 179.01 175.72 1x05 h TRP 111 N -0.46 -1.60 -0.21 4.33 -0.00 -0.74 1.61 115.95 118.88 1x05 h TRP 111 Ca 0.08 0.09 0.02 0.00 -0.00 0.00 0.00 58.89 59.08 1x05 h TRP 111 Cb 0.59 0.77 -0.03 0.00 -0.00 0.00 0.00 29.16 30.49 1x05 h TRP 111 CO -0.42 -0.41 -0.13 0.82 -0.00 0.00 0.00 178.44 178.30 1x05 h ILE 112 N -0.25 0.00 -0.83 1.49 2.04 -1.13 1.56 117.51 120.39 1x05 h ILE 112 Ca 0.09 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.16 1x05 h ILE 112 Cb 0.48 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 1x05 h ILE 112 CO -0.63 0.00 0.57 0.11 0.00 0.00 0.00 178.15 178.20 1x05 h LYS 113 N -0.01 0.20 0.46 2.37 1.57 -0.22 0.39 116.57 121.34 1x05 h LYS 113 Ca 0.03 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1x05 h LYS 113 Cb 0.10 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1x05 h LYS 113 CO -0.20 0.14 -0.22 0.00 -0.57 0.00 0.00 179.45 178.59 1x05 h ALA 114 N 1.61 -0.62 -0.24 3.86 0.00 1.27 0.41 119.26 125.56 1x05 h ALA 114 Ca 0.42 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1x05 h ALA 114 Cb 1.30 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1x05 h ALA 114 CO -0.09 -0.80 0.14 0.82 0.00 0.00 0.00 179.25 179.32 1x05 h ILE 115 N -0.72 1.10 -0.35 0.00 2.04 0.27 -2.38 117.51 117.47 1x05 h ILE 115 Ca -0.06 -0.26 0.07 0.00 1.00 0.00 0.00 64.86 65.60 1x05 h ILE 115 Cb 0.53 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 1x05 h ILE 115 CO 0.10 0.10 -0.02 1.56 0.00 0.00 0.00 178.15 179.89 1x05 h GLN 116 N 0.28 0.07 -0.58 2.37 4.20 -0.22 0.95 115.11 122.19 1x05 h GLN 116 Ca 0.08 -0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.91 1x05 h GLN 116 Cb 0.04 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 27.71 1x05 h GLN 116 CO -0.01 0.05 0.06 1.98 -0.67 0.00 0.00 178.83 180.23 1x05 h MET 117 N 0.08 0.17 0.35 1.46 1.85 0.15 1.23 114.93 120.22 1x05 h MET 117 Ca 0.17 -0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.24 1x05 h MET 117 Cb 0.25 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.24 1x05 h MET 117 CO -0.31 0.11 -0.17 0.00 -0.40 0.00 0.00 176.91 176.15 1x05 h ALA 118 N 1.50 -0.47 -1.04 0.39 0.00 -0.80 -3.03 119.26 115.81 1x05 h ALA 118 Ca 0.31 -0.17 0.30 0.00 0.00 0.00 0.00 54.91 55.35 1x05 h ALA 118 Cb 0.47 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1x05 h ALA 118 CO -0.45 -0.49 0.74 0.66 0.00 0.00 0.00 179.25 179.71 1x05 h SER 119 N -1.02 0.03 -0.76 0.00 4.64 0.13 0.69 113.55 117.26 1x05 h SER 119 Ca -0.05 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 1x05 h SER 119 Cb 0.49 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.55 1x05 h SER 119 CO 0.08 0.01 0.25 0.03 -0.87 0.00 0.00 176.83 176.33 1x05 h ARG 120 N 0.03 1.18 -3.07 4.77 2.47 0.16 -3.44 114.38 116.47 1x05 h ARG 120 Ca 0.50 -0.25 -0.17 0.00 -1.26 0.00 0.00 59.98 58.80 1x05 h ARG 120 Cb 1.95 -0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 30.06 1x05 h ARG 120 CO -0.03 0.99 -0.19 0.25 0.56 0.00 0.00 179.97 181.55 1x05 n THR 121 N -4.26 -0.23 0.00 2.04 -2.24 0.24 0.17 114.28 110.01 1x05 n THR 121 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1x05 n THR 121 Cb 0.22 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 1x05 n THR 121 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x05 n GLY 122 N -0.47 2.96 1.44 3.38 0.00 -1.26 -4.73 105.19 106.51 1x05 n GLY 122 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1x05 n GLY 122 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x05 n LYS 123 N 0.00 -3.80 -2.00 1.61 0.00 0.46 -5.00 118.16 109.42 1x05 n LYS 123 Ca 0.00 2.95 -0.02 0.00 0.00 0.00 0.00 58.31 61.23 1x05 n LYS 123 Cb 0.00 -3.66 -0.02 0.00 0.00 0.00 0.00 35.03 31.35 1x05 n LYS 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1x05 n SER 124 N -2.43 -1.68 -1.50 3.14 2.88 -1.26 -4.95 113.62 107.81 1x05 n SER 124 Ca 0.00 0.62 0.14 0.00 -1.33 0.00 0.00 58.87 58.30 1x05 n SER 124 Cb 0.42 -2.95 -0.08 0.00 -0.75 0.00 0.00 64.21 60.85 1x05 n SER 124 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x05 n GLY 125 N 0.71 -3.56 3.80 0.46 0.00 -1.26 -4.90 105.19 100.44 1x05 n GLY 125 Ca -0.17 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 1x05 n GLY 125 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x05 s PRO 126 N -4.57 1.89 0.24 1.61 0.04 -1.26 -4.96 135.00 127.99 1x05 s PRO 126 Ca 0.00 0.56 -0.04 0.00 0.04 0.00 0.00 61.00 61.56 1x05 s PRO 126 Cb 0.00 -1.90 0.27 0.00 0.04 0.00 0.00 34.50 32.91 1x05 s PRO 126 CO 0.00 -1.74 1.77 1.03 0.04 0.00 0.00 177.00 178.10 1x05 h SER 127 N -1.17 0.90 -0.00 6.66 0.87 -1.91 -2.92 113.55 115.97 1x05 h SER 127 Ca -0.48 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 59.90 1x05 h SER 127 Cb 1.28 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1x05 h SER 127 CO 0.60 0.88 0.00 0.77 -0.53 0.00 0.00 176.83 178.55 1x05 h SER 128 N 0.90 0.00 0.00 6.23 4.64 -2.00 -3.55 113.55 119.78 1x05 h SER 128 Ca 0.19 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1x05 h SER 128 Cb 0.36 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1x05 h SER 128 CO 0.00 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 176.80