#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 0.00 -3.79 1.61 7.64 -1.26 -5.18 113.62 112.63 1x05 n SER 2 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 1x05 n SER 2 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1x05 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x05 s SER 3 N 0.00 -0.21 0.00 6.43 1.04 -1.26 -5.18 113.70 114.53 1x05 s SER 3 Ca 0.00 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1x05 s SER 3 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1x05 s SER 3 CO 0.00 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.77 1x05 n GLY 4 N -0.47 -0.24 2.44 7.32 0.00 -1.26 -5.13 105.19 107.86 1x05 n GLY 4 Ca -0.05 -1.48 -0.05 0.00 0.00 0.00 0.00 46.02 44.43 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 2.01 -0.50 -3.63 1.61 7.64 -1.26 -5.09 113.62 114.40 1x05 n SER 5 Ca 0.00 1.17 -0.04 0.00 1.01 0.00 0.00 58.87 61.00 1x05 n SER 5 Cb 0.00 -4.70 -0.05 0.00 -1.01 0.00 0.00 64.21 58.45 1x05 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x05 s SER 6 N -0.58 -0.13 0.00 6.43 0.15 -1.26 -5.08 113.70 113.23 1x05 s SER 6 Ca -0.25 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1x05 s SER 6 Cb 0.02 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1x05 s SER 6 CO 0.69 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.65 1x05 n GLY 7 N 0.86 1.93 3.16 9.45 0.00 -1.26 -5.03 105.19 114.30 1x05 n GLY 7 Ca -0.05 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 1x05 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x05 s VAL 8 N 0.00 1.22 0.76 1.61 1.01 -1.26 -5.12 120.40 118.62 1x05 s VAL 8 Ca 0.00 -0.98 -0.17 0.00 0.00 0.00 0.00 61.98 60.83 1x05 s VAL 8 Cb 0.00 -1.08 -0.15 0.00 0.00 0.00 0.00 36.38 35.15 1x05 s VAL 8 CO 0.00 0.09 -0.45 -0.38 0.00 0.00 0.00 175.10 174.35 1x05 n ILE 9 N 2.01 0.03 -4.24 2.22 5.41 -1.26 -4.98 119.36 118.55 1x05 n ILE 9 Ca -0.17 -0.50 -0.17 0.00 1.00 0.00 0.00 62.75 62.91 1x05 n ILE 9 Cb 0.54 -0.01 -0.13 0.00 -0.71 0.00 0.00 39.64 39.33 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 6.40 2.14 0.00 1.39 2.96 -1.26 -5.14 118.68 125.17 1x05 s LEU 10 Ca 0.49 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 1x05 s LEU 10 Cb -0.34 -0.40 0.04 0.00 0.50 0.00 0.00 46.19 46.00 1x05 s LEU 10 CO 0.74 -0.01 0.30 0.29 -1.32 0.00 0.00 176.35 176.35 1x05 n LYS 11 N 2.12 0.44 -0.03 1.98 5.02 -1.26 -4.96 118.16 121.46 1x05 n LYS 11 Ca -0.18 -0.85 -0.06 0.00 -2.02 0.00 0.00 58.31 55.20 1x05 n LYS 11 Cb 0.56 -0.19 -0.13 0.00 -0.02 0.00 0.00 35.03 35.24 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 -1.56 0.65 0.00 1.97 1.02 -1.26 -2.35 120.64 119.11 1x05 n GLU 12 Ca 0.05 0.18 0.12 0.00 -0.02 0.00 0.00 57.16 57.49 1x05 n GLU 12 Cb 0.18 -1.71 0.72 0.00 -0.02 0.00 0.00 31.44 30.61 1x05 n GLU 12 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1x05 n GLU 13 N -2.89 0.91 0.00 3.49 0.28 -1.26 -3.08 120.64 118.08 1x05 n GLU 13 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.81 1x05 n GLU 13 Cb 1.01 -1.42 0.00 0.00 1.43 0.00 0.00 31.44 32.46 1x05 n GLU 13 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1x05 n PHE 14 N -0.92 0.00 0.28 -1.84 3.72 -1.25 -4.64 117.46 112.81 1x05 n PHE 14 Ca 0.18 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.69 1x05 n PHE 14 Cb 0.08 0.00 0.50 0.00 -0.94 0.00 0.00 39.48 39.12 1x05 n PHE 14 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1x05 n ARG 15 N -2.32 0.15 0.00 -1.08 -4.01 -0.99 -4.68 116.66 103.73 1x05 n ARG 15 Ca 0.00 0.51 0.00 0.00 -1.04 0.00 0.00 57.85 57.32 1x05 n ARG 15 Cb 0.46 -1.87 0.00 0.00 -3.04 0.00 0.00 32.46 28.01 1x05 n ARG 15 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1x05 n GLY 16 N -0.65 -2.91 3.57 2.89 0.00 -1.18 -5.03 105.19 101.89 1x05 n GLY 16 Ca 0.01 -0.99 -0.26 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 1.36 0.43 1.61 0.11 -1.25 -5.00 120.40 117.67 1x05 s VAL 17 Ca 0.00 -2.00 0.07 0.00 -2.93 0.00 0.00 61.98 57.12 1x05 s VAL 17 Cb 0.00 -2.68 -0.04 0.00 -1.53 0.00 0.00 36.38 32.13 1x05 s VAL 17 CO 0.00 0.00 0.20 -0.63 -3.33 0.00 0.00 175.10 171.34 1x05 s ILE 18 N -3.01 2.22 0.00 7.04 1.01 -1.26 -3.07 121.20 124.12 1x05 s ILE 18 Ca 0.28 -1.67 0.00 0.00 0.00 0.00 0.00 60.65 59.26 1x05 s ILE 18 Cb 0.07 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 39.65 1x05 s ILE 18 CO 0.14 0.00 0.00 2.30 0.00 0.00 0.00 174.94 177.38 1x05 n ILE 19 N -1.30 0.00 -3.72 2.92 -0.00 -1.07 -4.77 119.36 111.42 1x05 n ILE 19 Ca -0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 62.75 62.61 1x05 n ILE 19 Cb 0.64 -0.18 -0.12 0.00 -0.00 0.00 0.00 39.64 39.98 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 -1.45 0.26 -0.02 6.28 2.20 -1.25 -5.08 119.74 120.68 1x05 s LYS 20 Ca 0.00 0.58 0.03 0.00 -0.36 0.00 0.00 55.97 56.21 1x05 s LYS 20 Cb 0.00 -0.07 -0.00 0.00 -1.51 0.00 0.00 37.83 36.24 1x05 s LYS 20 CO 0.00 -0.15 -0.10 -0.65 -0.36 0.00 0.00 175.35 174.09 1x05 s GLN 21 N 1.19 0.98 0.00 4.03 -0.21 -1.26 -2.29 119.66 122.10 1x05 s GLN 21 Ca -0.09 -0.35 0.00 0.00 0.02 0.00 0.00 55.36 54.94 1x05 s GLN 21 Cb -0.09 -0.92 0.00 0.00 1.00 0.00 0.00 33.01 33.00 1x05 s GLN 21 CO -0.09 0.16 0.00 0.41 -2.12 0.00 0.00 175.29 173.65 1x05 n GLY 22 N 3.13 1.36 3.16 3.09 0.00 -1.16 -5.07 105.19 109.70 1x05 n GLY 22 Ca -0.17 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.59 1.40 -0.47 0.00 1.43 0.21 -4.83 118.68 114.83 1x05 s LEU 24 Ca -0.01 -0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 52.19 1x05 s LEU 24 Cb -0.09 0.97 0.10 0.00 0.03 0.00 0.00 46.19 47.19 1x05 s LEU 24 CO 0.02 -0.77 0.36 -0.76 0.23 0.00 0.00 176.35 175.44 1x05 s LEU 25 N -2.91 5.63 -0.44 1.79 2.01 -1.25 -0.56 118.68 122.96 1x05 s LEU 25 Ca 0.10 -1.64 -0.25 0.00 0.01 0.00 0.00 54.13 52.34 1x05 s LEU 25 Cb 0.05 -2.08 0.02 0.00 0.01 0.00 0.00 46.19 44.19 1x05 s LEU 25 CO -0.07 -0.67 0.91 -0.75 1.01 0.00 0.00 176.35 176.78 1x05 s LYS 26 N 1.49 3.60 0.92 1.70 2.20 -1.21 -2.69 119.74 125.75 1x05 s LYS 26 Ca 0.04 0.25 -0.11 0.00 -0.36 0.00 0.00 55.97 55.79 1x05 s LYS 26 Cb -0.26 -3.90 0.15 0.00 -1.51 0.00 0.00 37.83 32.31 1x05 s LYS 26 CO 0.02 -1.15 1.10 -1.14 -0.36 0.00 0.00 175.35 173.83 1x05 s GLN 27 N 3.65 1.02 0.00 4.03 0.74 -1.11 -4.21 119.66 123.78 1x05 s GLN 27 Ca 0.37 1.17 0.00 0.00 0.05 0.00 0.00 55.36 56.95 1x05 s GLN 27 Cb -0.11 -1.76 0.00 0.00 1.10 0.00 0.00 33.01 32.25 1x05 s GLN 27 CO 0.24 -2.50 0.00 0.41 -0.55 0.00 0.00 175.29 172.89 1x05 n GLY 28 N -0.34 5.23 0.13 2.59 0.00 -1.26 -4.86 105.19 106.68 1x05 n GLY 28 Ca 0.09 -1.61 -0.14 0.00 0.00 0.00 0.00 46.02 44.35 1x05 n GLY 28 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1x05 h HIS 29 N 0.30 0.42 -0.70 1.61 2.76 -2.01 -3.18 115.15 114.35 1x05 h HIS 29 Ca 0.00 -0.17 -0.03 0.00 -2.20 0.00 0.00 60.37 57.97 1x05 h HIS 29 Cb 0.00 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 28.85 1x05 h HIS 29 CO 0.00 0.87 0.31 0.00 -1.30 0.00 0.00 177.93 177.80 1x05 h ARG 30 N -0.14 1.02 -2.97 5.26 3.08 -2.03 -3.48 114.38 115.12 1x05 h ARG 30 Ca -0.01 -0.16 0.34 0.00 0.07 0.00 0.00 59.98 60.23 1x05 h ARG 30 Cb 0.87 -0.18 -0.11 0.00 0.08 0.00 0.00 29.97 30.63 1x05 h ARG 30 CO 0.05 0.81 -0.66 0.54 -1.07 0.00 0.00 179.97 179.64 1x05 n ARG 31 N -4.31 -2.73 -1.07 0.04 1.74 -1.20 -5.03 116.66 104.09 1x05 n ARG 31 Ca 0.06 1.94 0.00 0.00 -0.77 0.00 0.00 57.85 59.08 1x05 n ARG 31 Cb 0.16 -3.29 0.00 0.00 -1.02 0.00 0.00 32.46 28.31 1x05 n ARG 31 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1x05 n LYS 32 N -4.03 -3.08 0.00 5.56 4.76 -1.26 -4.64 118.16 115.47 1x05 n LYS 32 Ca -0.02 2.29 0.00 0.00 -2.87 0.00 0.00 58.31 57.71 1x05 n LYS 32 Cb 0.60 -2.57 0.00 0.00 -1.84 0.00 0.00 35.03 31.22 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 -0.85 0.00 -0.81 4.39 2.85 -1.26 -4.91 115.26 114.67 1x05 n ASN 33 Ca 0.00 0.00 0.08 0.00 -0.11 0.00 0.00 54.58 54.55 1x05 n ASN 33 Cb 0.00 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.00 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 0.00 -2.59 -3.64 1.20 7.02 -1.26 -4.89 117.44 113.28 1x05 n TRP 34 Ca 0.00 0.77 -0.14 0.00 -1.02 0.00 0.00 57.50 57.11 1x05 n TRP 34 Cb 0.00 -1.37 -0.13 0.00 -2.42 0.00 0.00 31.31 27.39 1x05 n TRP 34 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1x05 s LYS 35 N -1.21 0.15 0.37 -0.99 2.20 -1.26 -5.04 119.74 113.96 1x05 s LYS 35 Ca 0.00 0.68 -0.28 0.00 -0.36 0.00 0.00 55.97 56.01 1x05 s LYS 35 Cb 0.00 -0.18 -0.11 0.00 -1.51 0.00 0.00 37.83 36.03 1x05 s LYS 35 CO 0.00 -0.33 1.48 0.08 -0.36 0.00 0.00 175.35 176.22 1x05 s VAL 36 N 2.41 2.08 -0.15 4.02 1.01 -1.26 -3.33 120.40 125.18 1x05 s VAL 36 Ca 0.02 0.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 1x05 s VAL 36 Cb -0.12 -3.05 0.04 0.00 0.00 0.00 0.00 36.38 33.24 1x05 s VAL 36 CO -0.09 0.02 0.41 -0.13 0.00 0.00 0.00 175.10 175.31 1x05 s ARG 37 N -2.04 0.50 -0.81 2.72 0.52 0.27 -4.53 118.95 115.59 1x05 s ARG 37 Ca 0.53 0.54 -0.25 0.00 -0.52 0.00 0.00 55.73 56.03 1x05 s ARG 37 Cb -0.46 0.24 0.04 0.00 0.52 0.00 0.00 34.95 35.29 1x05 s ARG 37 CO 0.62 -0.07 1.28 0.21 0.02 0.00 0.00 175.30 177.37 1x05 s LYS 38 N 0.14 3.30 -0.28 3.54 2.20 -0.11 0.64 119.74 129.17 1x05 s LYS 38 Ca -0.01 -0.60 -0.22 0.00 -0.36 0.00 0.00 55.97 54.78 1x05 s LYS 38 Cb -0.03 -4.52 -0.01 0.00 -1.51 0.00 0.00 37.83 31.76 1x05 s LYS 38 CO 0.01 -2.11 0.73 -0.06 -0.36 0.00 0.00 175.35 173.56 1x05 s PHE 39 N 5.23 3.24 -0.15 4.03 0.40 -0.69 -1.37 117.98 128.68 1x05 s PHE 39 Ca 0.36 0.84 -0.02 0.00 -0.60 0.00 0.00 56.93 57.51 1x05 s PHE 39 Cb -0.07 -3.06 -0.02 0.00 0.51 0.00 0.00 43.02 40.38 1x05 s PHE 39 CO 0.07 -0.46 -0.08 0.42 0.70 0.00 0.00 175.22 175.86 1x05 s ILE 40 N 2.77 3.43 -0.12 0.64 1.01 0.20 -2.99 121.20 126.14 1x05 s ILE 40 Ca 0.30 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.41 1x05 s ILE 40 Cb -0.15 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.81 1x05 s ILE 40 CO 0.10 0.50 -0.02 -0.22 0.00 0.00 0.00 174.94 175.30 1x05 s LEU 41 N 0.44 3.37 -0.04 2.97 2.96 -0.97 -1.11 118.68 126.31 1x05 s LEU 41 Ca -0.07 -0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 1x05 s LEU 41 Cb -0.15 -1.79 0.03 0.00 0.50 0.00 0.00 46.19 44.78 1x05 s LEU 41 CO 0.04 0.26 -0.00 0.00 -1.32 0.00 0.00 176.35 175.33 1x05 s ARG 42 N -0.20 0.41 -0.11 1.98 3.03 -0.36 -2.60 118.95 121.11 1x05 s ARG 42 Ca 0.04 0.06 -0.04 0.00 2.03 0.00 0.00 55.73 57.82 1x05 s ARG 42 Cb -0.13 -0.61 -0.04 0.00 -1.03 0.00 0.00 34.95 33.15 1x05 s ARG 42 CO 0.02 -0.16 0.06 -1.83 -1.13 0.00 0.00 175.30 172.26 1x05 s GLU 43 N 1.19 3.25 -0.53 3.89 4.04 -1.18 -0.57 118.70 128.81 1x05 s GLU 43 Ca -0.07 -0.30 -0.13 0.00 0.04 0.00 0.00 54.97 54.51 1x05 s GLU 43 Cb -0.13 -2.98 0.02 0.00 0.02 0.00 0.00 34.13 31.05 1x05 s GLU 43 CO -0.02 0.69 0.63 -0.25 -1.84 0.00 0.00 175.26 174.47 1x05 n ASP 44 N 2.23 -7.68 -4.73 0.83 8.00 -1.26 -3.87 116.55 110.07 1x05 n ASP 44 Ca -0.19 0.29 -0.29 0.00 0.71 0.00 0.00 54.79 55.31 1x05 n ASP 44 Cb 0.54 -5.04 0.14 0.00 -0.02 0.00 0.00 41.12 36.74 1x05 n ASP 44 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1x05 s PRO 45 N -2.77 1.04 -0.55 -0.24 0.04 -1.26 -3.86 135.00 127.39 1x05 s PRO 45 Ca 0.18 0.25 -0.18 0.00 0.04 0.00 0.00 61.00 61.30 1x05 s PRO 45 Cb -0.05 -1.83 0.10 0.00 0.04 0.00 0.00 34.50 32.76 1x05 s PRO 45 CO 0.78 -2.26 0.61 0.00 0.04 0.00 0.00 177.00 176.16 1x05 s ALA 46 N -3.29 3.48 0.15 8.56 0.00 -1.25 -4.70 121.76 124.71 1x05 s ALA 46 Ca 0.64 -2.22 -0.09 0.00 0.00 0.00 0.00 51.96 50.29 1x05 s ALA 46 Cb -0.14 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 19.58 1x05 s ALA 46 CO 0.53 -2.15 0.28 0.71 0.00 0.00 0.00 175.76 175.14 1x05 s TYR 47 N 2.30 0.32 -0.16 0.00 2.02 0.27 -2.69 117.35 119.41 1x05 s TYR 47 Ca 0.09 -0.69 -0.05 0.00 -0.37 0.00 0.00 57.07 56.05 1x05 s TYR 47 Cb -0.25 -0.03 0.06 0.00 -0.40 0.00 0.00 41.96 41.34 1x05 s TYR 47 CO 0.06 -0.70 0.08 -1.17 -1.57 0.00 0.00 175.55 172.26 1x05 s LEU 48 N -2.94 0.35 0.06 -1.29 1.98 -1.04 -1.22 118.68 114.57 1x05 s LEU 48 Ca 0.15 -0.54 0.03 0.00 -2.89 0.00 0.00 54.13 50.87 1x05 s LEU 48 Cb 0.03 -0.24 -0.04 0.00 0.66 0.00 0.00 46.19 46.60 1x05 s LEU 48 CO -0.02 -0.34 0.05 -1.00 -1.89 0.00 0.00 176.35 173.15 1x05 s HIS 49 N 2.13 3.14 -0.09 5.38 3.76 -0.26 -0.31 115.29 129.03 1x05 s HIS 49 Ca 0.02 0.07 -0.01 0.00 -0.15 0.00 0.00 55.06 55.00 1x05 s HIS 49 Cb -0.16 -1.63 0.03 0.00 1.11 0.00 0.00 32.58 31.93 1x05 s HIS 49 CO -0.08 0.51 -0.05 1.52 -0.85 0.00 0.00 174.74 175.79 1x05 s TYR 50 N -1.29 1.13 0.39 1.40 1.13 -1.21 0.58 117.35 119.48 1x05 s TYR 50 Ca 0.26 -0.49 0.08 0.00 -1.41 0.00 0.00 57.07 55.51 1x05 s TYR 50 Cb -0.12 -1.03 -0.03 0.00 -1.10 0.00 0.00 41.96 39.68 1x05 s TYR 50 CO 0.18 -0.42 0.31 0.71 -2.51 0.00 0.00 175.55 173.82 1x05 s TYR 51 N 1.75 2.75 0.17 -3.49 1.51 -0.47 -2.20 117.35 117.37 1x05 s TYR 51 Ca 0.04 -0.44 -0.30 0.00 -1.01 0.00 0.00 57.07 55.36 1x05 s TYR 51 Cb -0.13 -2.00 -0.07 0.00 -0.11 0.00 0.00 41.96 39.65 1x05 s TYR 51 CO -0.06 0.04 0.96 0.34 -1.11 0.00 0.00 175.55 175.71 1x05 s ASP 52 N -4.04 7.56 0.15 2.29 2.15 -1.26 -0.93 116.67 122.59 1x05 s ASP 52 Ca 0.44 1.88 -0.03 0.00 0.43 0.00 0.00 52.55 55.27 1x05 s ASP 52 Cb -0.03 -2.60 -0.04 0.00 -0.30 0.00 0.00 42.92 39.95 1x05 s ASP 52 CO 0.26 0.04 1.35 1.55 -0.17 0.00 0.00 175.17 178.20 1x05 h PRO 53 N 4.88 0.41 -0.95 4.34 0.13 -1.94 -3.14 132.00 135.73 1x05 h PRO 53 Ca -0.44 -0.40 0.19 0.00 -0.87 0.00 0.00 66.00 64.48 1x05 h PRO 53 Cb 1.21 0.10 -0.08 0.00 0.13 0.00 0.00 31.00 32.36 1x05 h PRO 53 CO 0.70 1.06 0.61 0.00 -0.23 0.00 0.00 178.00 180.13 1x05 h ALA 54 N 0.81 1.94 0.00 -0.56 0.00 -1.92 -3.47 119.26 116.07 1x05 h ALA 54 Ca -0.06 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1x05 h ALA 54 Cb 1.47 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1x05 h ALA 54 CO 0.15 -0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.55 1x05 n GLY 55 N -1.43 -1.43 7.00 0.00 0.00 -1.19 -5.16 105.19 102.98 1x05 n GLY 55 Ca 0.21 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.81 1x05 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 n ALA 56 N 0.00 0.00 0.15 4.61 0.00 -1.26 -4.39 120.51 119.62 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 -1.91 0.00 0.00 0.00 177.50 175.59 1x05 n GLU 57 N -1.43 0.00 -2.49 0.00 4.07 -1.26 -5.01 120.64 114.51 1x05 n GLU 57 Ca 0.00 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.78 1x05 n GLU 57 Cb 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.34 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 -3.28 6.64 0.09 4.31 1.01 -1.26 -5.01 116.67 119.17 1x05 s ASP 58 Ca 0.00 1.53 -0.30 0.00 0.71 0.00 0.00 52.55 54.49 1x05 s ASP 58 Cb 0.00 -2.49 -0.06 0.00 1.01 0.00 0.00 42.92 41.38 1x05 s ASP 58 CO 0.00 -0.54 1.15 -2.16 0.21 0.00 0.00 175.17 173.83 1x05 s PRO 59 N -3.96 4.48 0.53 8.23 0.04 -1.26 -4.74 135.00 138.32 1x05 s PRO 59 Ca 0.58 1.73 0.22 0.00 0.04 0.00 0.00 61.00 63.57 1x05 s PRO 59 Cb -0.10 -3.34 1.37 0.00 0.04 0.00 0.00 34.50 32.47 1x05 s PRO 59 CO 0.30 -0.16 2.07 -0.07 0.04 0.00 0.00 177.00 179.18 1x05 h LEU 60 N 6.36 0.00 0.00 -3.56 3.38 -1.82 -3.47 115.31 116.21 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 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.92 1x05 n GLY 61 N -1.58 -1.14 3.29 0.83 0.00 -1.26 -5.06 105.19 100.28 1x05 n GLY 61 Ca 0.04 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.90 -0.21 4.61 0.00 -1.26 -3.28 121.76 119.72 1x05 s ALA 62 Ca 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 51.96 52.21 1x05 s ALA 62 Cb 0.00 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.39 1x05 s ALA 62 CO 0.00 -0.40 -0.10 0.42 0.00 0.00 0.00 175.76 175.69 1x05 s ILE 63 N -2.19 2.84 0.12 0.00 1.01 0.57 -4.94 121.20 118.61 1x05 s ILE 63 Ca -0.07 -0.75 -0.31 0.00 0.00 0.00 0.00 60.65 59.52 1x05 s ILE 63 Cb -0.02 -2.30 -0.09 0.00 0.01 0.00 0.00 42.46 40.07 1x05 s ILE 63 CO -0.01 0.41 1.50 -2.28 0.00 0.00 0.00 174.94 174.56 1x05 s HIS 64 N 1.38 3.02 -0.22 3.97 2.46 -1.26 -2.49 115.29 122.16 1x05 s HIS 64 Ca 0.04 0.72 0.11 0.00 0.47 0.00 0.00 55.06 56.41 1x05 s HIS 64 Cb -0.14 -3.82 0.24 0.00 -0.13 0.00 0.00 32.58 28.73 1x05 s HIS 64 CO -0.07 -3.01 1.17 1.28 -2.47 0.00 0.00 174.74 171.64 1x05 n LEU 65 N 4.32 2.60 0.16 8.88 4.77 -1.10 -4.25 117.00 132.39 1x05 n LEU 65 Ca 0.13 -2.57 0.19 0.00 -0.03 0.00 0.00 56.01 53.72 1x05 n LEU 65 Cb 0.41 -0.29 0.77 0.00 -2.33 0.00 0.00 43.42 41.98 1x05 n LEU 65 CO 0.60 0.64 1.16 0.08 -1.33 0.00 0.00 177.39 178.55 1x05 h ARG 66 N 0.62 0.00 0.00 3.23 0.11 -1.89 -3.22 114.38 113.23 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 0.88 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 31.88 1x05 h ARG 66 CO 0.04 0.00 -0.19 0.41 0.10 0.00 0.00 179.97 180.33 1x05 n GLY 67 N -1.41 0.16 3.61 0.08 0.00 -1.26 -5.04 105.19 101.32 1x05 n GLY 67 Ca 0.05 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.84 1.52 -0.04 0.00 1.01 0.51 -4.96 120.40 115.60 1x05 s VAL 69 Ca 0.67 -1.68 0.07 0.00 0.00 0.00 0.00 61.98 61.04 1x05 s VAL 69 Cb -0.19 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 1x05 s VAL 69 CO 0.59 -0.29 -0.24 -0.69 0.00 0.00 0.00 175.10 174.48 1x05 s VAL 70 N -1.79 2.24 0.31 2.92 1.01 -1.26 -0.94 120.40 122.89 1x05 s VAL 70 Ca 0.09 -1.03 -0.17 0.00 0.00 0.00 0.00 61.98 60.87 1x05 s VAL 70 Cb -0.07 -1.80 0.03 0.00 0.00 0.00 0.00 36.38 34.53 1x05 s VAL 70 CO 0.04 0.58 0.69 0.28 0.00 0.00 0.00 175.10 176.69 1x05 s THR 71 N -0.52 0.00 0.31 3.92 -1.32 0.01 -4.96 115.64 113.09 1x05 s THR 71 Ca 0.07 -1.09 0.08 0.00 -1.21 0.00 0.00 61.69 59.54 1x05 s THR 71 Cb -0.11 -2.31 -0.04 0.00 -1.51 0.00 0.00 72.50 68.53 1x05 s THR 71 CO 0.00 0.00 0.17 -0.44 -2.21 0.00 0.00 174.62 172.15 1x05 s SER 72 N -2.99 4.99 0.47 8.08 0.01 -1.26 -1.11 113.70 121.89 1x05 s SER 72 Ca 0.15 -0.57 0.08 0.00 1.31 0.00 0.00 55.95 56.92 1x05 s SER 72 Cb -0.05 -0.94 0.03 0.00 0.21 0.00 0.00 66.02 65.27 1x05 s SER 72 CO 0.09 -0.22 0.63 0.68 0.41 0.00 0.00 173.24 174.84 1x05 s VAL 73 N -2.32 2.68 -0.38 3.43 -7.23 -1.26 -4.38 120.40 110.94 1x05 s VAL 73 Ca 0.37 -1.02 0.06 0.00 -1.81 0.00 0.00 61.98 59.57 1x05 s VAL 73 Cb -0.05 -2.71 0.58 0.00 0.56 0.00 0.00 36.38 34.77 1x05 s VAL 73 CO 0.24 0.00 1.70 -1.84 -0.31 0.00 0.00 175.10 174.89 1x05 n GLU 74 N -1.96 2.08 -3.54 4.82 0.28 -1.26 -4.84 120.64 116.22 1x05 n GLU 74 Ca 0.10 -3.13 -0.41 0.00 -0.16 0.00 0.00 57.16 53.56 1x05 n GLU 74 Cb 0.60 -2.01 -0.06 0.00 1.43 0.00 0.00 31.44 31.40 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 -1.95 5.97 0.33 -1.84 0.01 -1.26 -5.02 113.70 109.94 1x05 s SER 75 Ca 0.51 -2.84 0.06 0.00 1.31 0.00 0.00 55.95 55.00 1x05 s SER 75 Cb 0.45 -2.02 -0.03 0.00 0.21 0.00 0.00 66.02 64.63 1x05 s SER 75 CO 0.05 -0.45 0.24 0.20 0.41 0.00 0.00 173.24 173.69 1x05 s ASN 76 N 1.30 1.75 0.00 2.44 -0.87 -1.26 -3.52 114.94 114.78 1x05 s ASN 76 Ca 0.18 -1.72 0.00 0.00 -1.57 0.00 0.00 52.86 49.75 1x05 s ASN 76 Cb -0.15 0.54 0.00 0.00 -0.02 0.00 0.00 41.25 41.62 1x05 s ASN 76 CO -0.06 -1.02 0.00 -0.24 -2.57 0.00 0.00 177.10 173.20 1x05 n SER 77 N -1.41 0.00 -4.40 -1.22 2.88 -1.26 -4.87 113.62 103.34 1x05 n SER 77 Ca 0.05 0.00 -0.55 0.00 -1.33 0.00 0.00 58.87 57.04 1x05 n SER 77 Cb 0.63 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.00 1x05 n SER 77 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1x05 n ASN 78 N 2.88 1.63 0.00 -3.46 3.02 -1.26 -4.87 115.26 113.20 1x05 n ASN 78 Ca 0.00 0.57 0.00 0.00 -0.03 0.00 0.00 54.58 55.12 1x05 n ASN 78 Cb 0.00 -1.11 0.00 0.00 -0.61 0.00 0.00 39.78 38.06 1x05 n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x05 n GLY 79 N 6.68 5.31 3.80 7.41 0.00 -1.26 -4.46 105.19 122.68 1x05 n GLY 79 Ca 0.45 -1.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 1x05 n GLY 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1x05 n ARG 80 N 0.00 -1.64 -3.15 1.61 0.63 -1.26 -4.83 116.66 108.02 1x05 n ARG 80 Ca 0.00 0.11 0.04 0.00 -0.92 0.00 0.00 57.85 57.08 1x05 n ARG 80 Cb 0.00 -4.67 -0.00 0.00 0.45 0.00 0.00 32.46 28.24 1x05 n ARG 80 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1x05 s LYS 81 N -6.43 0.54 -0.98 -0.14 2.20 -1.26 -5.06 119.74 108.60 1x05 s LYS 81 Ca 0.54 0.54 -0.21 0.00 -0.36 0.00 0.00 55.97 56.47 1x05 s LYS 81 Cb -0.31 0.25 -0.11 0.00 -1.51 0.00 0.00 37.83 36.15 1x05 s LYS 81 CO 0.66 -0.99 1.94 0.45 -0.36 0.00 0.00 175.35 177.04 1x05 n SER 82 N 5.40 2.95 0.09 1.43 2.88 -1.26 -3.53 113.62 121.58 1x05 n SER 82 Ca 0.05 -2.71 0.00 0.00 -1.33 0.00 0.00 58.87 54.88 1x05 n SER 82 Cb 0.54 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 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 7.43 0.00 -3.53 -1.46 -0.58 -1.26 -5.06 120.64 116.18 1x05 n GLU 83 Ca 0.48 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.95 1x05 n GLU 83 Cb 0.43 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 31.15 1x05 n GLU 83 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1x05 s GLU 84 N -2.00 0.19 -0.01 3.49 2.02 -1.23 -4.84 118.70 116.32 1x05 s GLU 84 Ca 0.00 -0.44 0.05 0.00 0.02 0.00 0.00 54.97 54.61 1x05 s GLU 84 Cb 0.00 -1.16 -0.08 0.00 0.10 0.00 0.00 34.13 32.99 1x05 s GLU 84 CO 0.00 -0.99 0.12 0.39 0.02 0.00 0.00 175.26 174.81 1x05 n GLU 85 N 5.26 0.55 0.00 1.61 1.02 -1.26 -4.75 120.64 123.07 1x05 n GLU 85 Ca -0.06 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1x05 n GLU 85 Cb 0.43 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 1x05 n GLU 85 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1x05 n ASN 86 N -1.64 0.00 -1.20 1.62 3.02 -1.23 -4.49 115.26 111.34 1x05 n ASN 86 Ca -0.01 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.68 1x05 n ASN 86 Cb 0.13 0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.36 1x05 n ASN 86 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1x05 n LEU 87 N -1.36 0.00 -3.53 3.41 4.32 -1.26 -4.51 117.00 114.07 1x05 n LEU 87 Ca 0.00 1.07 -0.12 0.00 -0.02 0.00 0.00 56.01 56.94 1x05 n LEU 87 Cb 0.00 -3.02 -0.04 0.00 -1.62 0.00 0.00 43.42 38.74 1x05 n LEU 87 CO 0.00 -2.28 0.63 0.72 -1.22 0.00 0.00 177.39 175.25 1x05 s PHE 88 N -1.61 -0.45 -0.02 -1.77 -0.12 -0.83 -4.36 117.98 108.80 1x05 s PHE 88 Ca 0.00 0.63 -0.04 0.00 -0.05 0.00 0.00 56.93 57.47 1x05 s PHE 88 Cb 0.00 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 1x05 s PHE 88 CO 0.00 -0.51 0.19 -2.00 -0.05 0.00 0.00 175.22 172.85 1x05 s GLU 89 N -1.87 3.45 -0.25 1.99 2.12 -0.26 -2.60 118.70 121.28 1x05 s GLU 89 Ca -0.02 -0.27 -0.04 0.00 0.36 0.00 0.00 54.97 55.00 1x05 s GLU 89 Cb -0.01 -3.11 0.09 0.00 0.26 0.00 0.00 34.13 31.37 1x05 s GLU 89 CO -0.00 0.69 0.15 0.42 -0.54 0.00 0.00 175.26 175.97 1x05 s ILE 90 N -1.28 -0.14 0.22 -3.70 1.01 -0.97 -0.81 121.20 115.53 1x05 s ILE 90 Ca 0.26 -0.50 -0.27 0.00 0.00 0.00 0.00 60.65 60.14 1x05 s ILE 90 Cb -0.13 -0.84 -0.09 0.00 0.01 0.00 0.00 42.46 41.42 1x05 s ILE 90 CO 0.16 -0.52 0.86 -0.63 0.00 0.00 0.00 174.94 174.81 1x05 s ILE 91 N 2.16 4.24 0.18 2.92 1.01 -0.12 -3.21 121.20 128.39 1x05 s ILE 91 Ca 0.07 1.85 0.03 0.00 0.00 0.00 0.00 60.65 62.60 1x05 s ILE 91 Cb -0.16 -4.18 0.03 0.00 0.01 0.00 0.00 42.46 38.16 1x05 s ILE 91 CO -0.26 0.45 0.24 0.35 0.00 0.00 0.00 174.94 175.71 1x05 n THR 92 N 1.37 0.00 0.41 2.92 -2.24 -0.38 0.19 114.28 116.54 1x05 n THR 92 Ca -0.03 -0.63 0.13 0.00 -2.27 0.00 0.00 64.05 61.25 1x05 n THR 92 Cb 0.48 -0.78 0.50 0.00 -2.10 0.00 0.00 70.33 68.43 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 0.42 1.00 -0.04 6.98 0.00 -1.79 -1.41 119.26 124.42 1x05 h ALA 93 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1x05 h ALA 93 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1x05 h ALA 93 CO 0.13 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.13 1x05 n ASP 94 N -2.43 2.54 0.00 0.00 9.92 -1.26 -4.91 116.55 120.41 1x05 n ASP 94 Ca 0.02 -1.84 0.00 0.00 -0.53 0.00 0.00 54.79 52.44 1x05 n ASP 94 Cb 0.29 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 1x05 n ASP 94 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1x05 n GLU 95 N 0.98 0.00 -1.73 -1.24 1.02 -0.53 -4.98 120.64 114.15 1x05 n GLU 95 Ca 0.16 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.87 1x05 n GLU 95 Cb 0.52 -2.18 -0.02 0.00 -0.02 0.00 0.00 31.44 29.74 1x05 n GLU 95 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1x05 n VAL 96 N -2.00 1.08 -4.39 2.62 0.31 -1.26 -4.56 118.33 110.13 1x05 n VAL 96 Ca 0.00 -0.27 -0.34 0.00 -0.01 0.00 0.00 64.34 63.72 1x05 n VAL 96 Cb 0.00 -1.86 -0.10 0.00 -0.91 0.00 0.00 33.84 30.97 1x05 n VAL 96 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1x05 s HIS 97 N -0.09 3.08 -0.02 3.52 3.76 -1.26 -1.25 115.29 123.02 1x05 s HIS 97 Ca 0.64 0.11 0.00 0.00 -0.15 0.00 0.00 55.06 55.66 1x05 s HIS 97 Cb -0.53 -1.72 0.02 0.00 1.11 0.00 0.00 32.58 31.46 1x05 s HIS 97 CO 0.50 0.44 0.00 0.71 -0.85 0.00 0.00 174.74 175.54 1x05 s TYR 98 N -0.95 0.21 -0.37 1.40 2.02 -1.20 -4.97 117.35 113.51 1x05 s TYR 98 Ca 0.16 0.03 -0.05 0.00 -0.37 0.00 0.00 57.07 56.83 1x05 s TYR 98 Cb -0.11 -0.31 0.07 0.00 -0.40 0.00 0.00 41.96 41.20 1x05 s TYR 98 CO 0.05 -0.10 0.14 -0.06 -1.57 0.00 0.00 175.55 174.02 1x05 s PHE 99 N 0.85 3.36 -0.12 2.71 0.40 -1.26 -2.29 117.98 121.63 1x05 s PHE 99 Ca -0.08 -1.80 -0.05 0.00 -0.60 0.00 0.00 56.93 54.40 1x05 s PHE 99 Cb -0.11 -2.65 -0.04 0.00 0.51 0.00 0.00 43.02 40.73 1x05 s PHE 99 CO -0.02 -0.84 0.07 -0.51 0.70 0.00 0.00 175.22 174.63 1x05 s LEU 100 N 1.31 3.98 -0.16 -0.37 2.01 -1.07 -2.75 118.68 121.62 1x05 s LEU 100 Ca 0.01 0.27 -0.18 0.00 0.01 0.00 0.00 54.13 54.25 1x05 s LEU 100 Cb -0.21 -1.96 -0.04 0.00 0.01 0.00 0.00 46.19 43.99 1x05 s LEU 100 CO -0.00 0.35 0.47 -1.58 1.01 0.00 0.00 176.35 176.59 1x05 s GLN 101 N -0.67 4.25 -0.16 1.70 0.74 -1.10 -1.97 119.66 122.46 1x05 s GLN 101 Ca 0.12 0.37 -0.10 0.00 0.05 0.00 0.00 55.36 55.80 1x05 s GLN 101 Cb -0.12 -3.50 -0.05 0.00 1.10 0.00 0.00 33.01 30.45 1x05 s GLN 101 CO 0.02 0.02 0.18 0.00 -0.55 0.00 0.00 175.29 174.96 1x05 s ALA 102 N 1.10 3.72 0.29 1.58 0.00 -1.26 -3.75 121.76 123.44 1x05 s ALA 102 Ca 0.23 -0.61 0.04 0.00 0.00 0.00 0.00 51.96 51.62 1x05 s ALA 102 Cb -0.15 -2.17 0.65 0.00 0.00 0.00 0.00 23.12 21.45 1x05 s ALA 102 CO 0.09 0.28 1.81 0.00 0.00 0.00 0.00 175.76 177.94 1x05 h ALA 103 N 6.14 1.60 -2.19 0.00 0.00 -1.97 -3.43 119.26 119.41 1x05 h ALA 103 Ca -0.45 0.05 -0.39 0.00 0.00 0.00 0.00 54.91 54.12 1x05 h ALA 103 Cb 1.18 -0.15 -0.14 0.00 0.00 0.00 0.00 17.79 18.68 1x05 h ALA 103 CO 0.71 0.09 -0.65 0.95 0.00 0.00 0.00 179.25 180.35 1x05 s THR 104 N -5.90 1.01 -0.13 0.00 -4.23 -1.26 -5.04 115.64 100.10 1x05 s THR 104 Ca -0.12 -2.03 0.27 0.00 -1.18 0.00 0.00 61.69 58.64 1x05 s THR 104 Cb 0.24 -2.41 0.33 0.00 1.34 0.00 0.00 72.50 71.99 1x05 s THR 104 CO 0.81 -0.27 1.78 1.55 -0.54 0.00 0.00 174.62 177.95 1x05 h PRO 105 N 2.43 0.00 -0.22 3.99 0.13 -1.97 -2.91 132.00 133.45 1x05 h PRO 105 Ca -0.39 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.57 1x05 h PRO 105 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1x05 h PRO 105 CO 0.65 0.06 -0.58 -0.22 -0.23 0.00 0.00 178.00 177.68 1x05 h LYS 106 N 0.00 0.69 -0.28 0.86 3.64 -1.96 -3.06 116.57 116.45 1x05 h LYS 106 Ca -0.00 -0.45 -0.09 0.00 -1.27 0.00 0.00 60.65 58.84 1x05 h LYS 106 Cb 0.80 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1x05 h LYS 106 CO 0.01 1.07 -0.17 1.49 -2.27 0.00 0.00 179.45 179.58 1x05 h GLU 107 N 0.52 0.61 -0.69 1.90 4.57 -1.93 -1.21 114.58 118.35 1x05 h GLU 107 Ca 0.00 -0.28 0.15 0.00 -1.18 0.00 0.00 59.36 58.05 1x05 h GLU 107 Cb 1.16 -0.01 -0.12 0.00 -0.16 0.00 0.00 28.75 29.62 1x05 h GLU 107 CO 0.12 0.87 0.04 -0.09 -1.18 0.00 0.00 179.01 178.76 1x05 h ARG 108 N 0.34 0.14 -0.18 1.92 2.43 -1.48 1.02 114.38 118.57 1x05 h ARG 108 Ca 0.06 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.12 1x05 h ARG 108 Cb 0.70 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1x05 h ARG 108 CO 0.05 0.09 -0.29 1.15 -1.51 0.00 0.00 179.97 179.46 1x05 h THR 109 N 0.14 1.34 0.73 0.20 2.02 -1.46 -2.82 112.91 113.06 1x05 h THR 109 Ca 0.38 -1.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.01 1x05 h THR 109 Cb 0.64 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 1x05 h THR 109 CO -0.57 0.46 -0.48 -0.33 0.37 0.00 0.00 175.52 174.96 1x05 h GLU 110 N 0.17 -1.10 -0.78 6.66 5.08 0.20 -0.94 114.58 123.88 1x05 h GLU 110 Ca 0.02 0.08 0.08 0.00 -1.00 0.00 0.00 59.36 58.53 1x05 h GLU 110 Cb 0.87 0.25 -0.11 0.00 0.50 0.00 0.00 28.75 30.26 1x05 h GLU 110 CO 0.07 -0.73 -0.56 -1.49 -1.00 0.00 0.00 179.01 175.30 1x05 h TRP 111 N -1.14 -1.74 -0.22 4.33 -0.00 0.91 1.67 115.95 119.75 1x05 h TRP 111 Ca -0.10 0.11 0.02 0.00 -0.00 0.00 0.00 58.89 58.93 1x05 h TRP 111 Cb 0.93 0.86 -0.03 0.00 -0.00 0.00 0.00 29.16 30.92 1x05 h TRP 111 CO -0.12 -0.41 -0.19 0.82 -0.00 0.00 0.00 178.44 178.53 1x05 h ILE 112 N -0.14 0.00 -0.27 1.49 2.04 -1.29 1.78 117.51 121.11 1x05 h ILE 112 Ca 0.15 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.09 1x05 h ILE 112 Cb 0.49 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1x05 h ILE 112 CO -0.82 0.00 0.36 0.11 0.00 0.00 0.00 178.15 177.80 1x05 h LYS 113 N -0.08 0.00 0.29 2.37 1.57 0.34 0.40 116.57 121.45 1x05 h LYS 113 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1x05 h LYS 113 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1x05 h LYS 113 CO -0.25 0.00 -0.14 0.00 -0.57 0.00 0.00 179.45 178.49 1x05 h ALA 114 N 1.55 -0.38 -0.94 3.86 0.00 1.32 -0.81 119.26 123.86 1x05 h ALA 114 Ca 0.13 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1x05 h ALA 114 Cb 0.84 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 1x05 h ALA 114 CO -0.00 -0.40 0.61 0.82 0.00 0.00 0.00 179.25 180.28 1x05 h ILE 115 N -1.02 1.10 0.14 0.00 5.03 0.34 -2.09 117.51 121.01 1x05 h ILE 115 Ca -0.04 -0.38 -0.01 0.00 -0.12 0.00 0.00 64.86 64.31 1x05 h ILE 115 Cb 0.44 -0.11 0.00 0.00 -3.03 0.00 0.00 36.82 34.12 1x05 h ILE 115 CO 0.06 0.20 -0.07 1.56 -0.68 0.00 0.00 178.15 179.23 1x05 h GLN 116 N 1.11 -0.18 -0.89 2.37 4.20 -0.31 0.43 115.11 121.83 1x05 h GLN 116 Ca 0.39 0.01 0.22 0.00 0.06 0.00 0.00 58.65 59.34 1x05 h GLN 116 Cb 0.13 0.04 -0.13 0.00 0.30 0.00 0.00 27.48 27.82 1x05 h GLN 116 CO -0.14 -0.07 0.38 0.00 -0.67 0.00 0.00 178.83 178.33 1x05 h MET 117 N -0.25 0.37 0.23 1.46 -0.00 -0.46 1.47 114.93 117.76 1x05 h MET 117 Ca -0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.70 59.65 1x05 h MET 117 Cb 0.19 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 31.71 1x05 h MET 117 CO 0.03 0.25 -0.11 0.00 -0.00 0.00 0.00 176.91 177.07 1x05 h ALA 118 N 1.71 -0.31 -0.94 -3.00 0.00 -1.09 -3.20 119.26 112.43 1x05 h ALA 118 Ca 0.56 -0.13 0.27 0.00 0.00 0.00 0.00 54.91 55.61 1x05 h ALA 118 Cb 1.07 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1x05 h ALA 118 CO -0.54 -0.32 0.70 0.66 0.00 0.00 0.00 179.25 179.75 1x05 h SER 119 N -1.03 0.00 -0.02 0.00 4.64 0.59 0.94 113.55 118.67 1x05 h SER 119 Ca -0.03 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1x05 h SER 119 Cb 0.37 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1x05 h SER 119 CO 0.05 0.00 0.01 0.03 -0.87 0.00 0.00 176.83 176.05 1x05 h ARG 120 N 0.00 0.03 0.00 4.77 2.47 0.20 -3.44 114.38 118.41 1x05 h ARG 120 Ca 0.45 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.16 1x05 h ARG 120 Cb 1.83 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 30.15 1x05 h ARG 120 CO -0.00 0.02 0.00 0.25 0.56 0.00 0.00 179.97 180.80 1x05 n THR 121 N -4.53 0.00 -1.58 2.04 -2.24 0.33 -4.52 114.28 103.77 1x05 n THR 121 Ca -0.03 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.80 1x05 n THR 121 Cb 0.09 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.39 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 0.00 2.69 3.66 3.38 0.00 -1.26 -5.01 105.19 108.65 1x05 n GLY 122 Ca 0.00 -0.60 -0.45 0.00 0.00 0.00 0.00 46.02 44.96 1x05 n GLY 122 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x05 n LYS 123 N -0.68 1.95 0.00 1.61 4.76 -1.26 -3.72 118.16 120.82 1x05 n LYS 123 Ca 0.08 0.69 0.00 0.00 -2.87 0.00 0.00 58.31 56.22 1x05 n LYS 123 Cb 0.69 -2.35 0.00 0.00 -1.84 0.00 0.00 35.03 31.53 1x05 n LYS 123 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1x05 n SER 124 N 2.32 0.00 0.00 4.39 7.64 -1.26 -4.72 113.62 121.99 1x05 n SER 124 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1x05 n SER 124 Cb 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1x05 n SER 124 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x05 n GLY 125 N 0.00 1.22 2.86 0.23 0.00 -1.24 -5.04 105.19 103.22 1x05 n GLY 125 Ca 0.00 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.32 2.23 0.00 1.61 -0.04 -1.26 -3.85 135.00 133.37 1x05 n PRO 126 Ca 0.00 -2.14 0.00 0.00 -0.04 0.00 0.00 63.50 61.32 1x05 n PRO 126 Cb 0.00 -3.02 0.00 0.00 -0.04 0.00 0.00 33.50 30.44 1x05 n PRO 126 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x05 n SER 127 N 6.41 0.00 -0.04 3.54 3.41 -1.26 -4.98 113.62 120.70 1x05 n SER 127 Ca 0.52 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 59.04 1x05 n SER 127 Cb 0.37 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 1x05 n SER 127 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1x05 h SER 128 N 0.00 -0.79 0.00 4.04 0.87 -1.98 -3.55 113.55 112.14 1x05 h SER 128 Ca 0.00 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1x05 h SER 128 Cb 0.00 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1x05 h SER 128 CO 0.00 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 176.62