#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 -0.41 -3.10 1.61 3.41 -1.26 -5.10 113.62 108.77 1x05 n SER 2 Ca 0.00 0.46 -0.15 0.00 -0.26 0.00 0.00 58.87 58.92 1x05 n SER 2 Cb 0.00 0.58 0.02 0.00 -0.26 0.00 0.00 64.21 64.55 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 -3.35 -6.95 -3.83 4.04 7.64 -1.26 -4.83 113.62 105.07 1x05 n SER 3 Ca 0.00 0.45 -0.42 0.00 1.01 0.00 0.00 58.87 59.91 1x05 n SER 3 Cb 0.00 -3.54 0.00 0.00 -1.01 0.00 0.00 64.21 59.66 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 0.19 4.92 3.29 0.23 0.00 -1.26 -4.81 105.19 107.75 1x05 n GLY 4 Ca 0.01 -2.20 0.03 0.00 0.00 0.00 0.00 46.02 43.87 1x05 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x05 s SER 5 N 0.31 -0.13 -0.11 1.61 0.15 -1.26 -5.16 113.70 109.10 1x05 s SER 5 Ca 0.40 0.18 -0.02 0.00 0.70 0.00 0.00 55.95 57.21 1x05 s SER 5 Cb 0.10 1.13 -0.03 0.00 -1.71 0.00 0.00 66.02 65.51 1x05 s SER 5 CO 0.01 -0.03 -0.05 -0.44 1.20 0.00 0.00 173.24 173.93 1x05 s SER 6 N 1.91 4.76 0.00 5.45 0.01 -1.26 -4.79 113.70 119.78 1x05 s SER 6 Ca -0.01 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.18 1x05 s SER 6 Cb -0.02 -1.52 0.00 0.00 0.21 0.00 0.00 66.02 64.69 1x05 s SER 6 CO -0.15 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.37 1x05 n GLY 7 N 2.90 0.61 3.21 3.44 0.00 -1.26 -5.16 105.19 108.93 1x05 n GLY 7 Ca -0.18 -0.51 -0.18 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.11 1.25 0.68 1.61 1.01 -1.26 -5.12 120.40 118.46 1x05 s VAL 8 Ca 0.00 -1.52 -0.17 0.00 0.00 0.00 0.00 61.98 60.29 1x05 s VAL 8 Cb 0.00 -1.33 -0.11 0.00 0.00 0.00 0.00 36.38 34.94 1x05 s VAL 8 CO 0.00 -0.31 -0.01 -0.38 0.00 0.00 0.00 175.10 174.40 1x05 n ILE 9 N 0.90 0.71 -3.92 2.22 2.08 -1.26 -4.96 119.36 115.14 1x05 n ILE 9 Ca -0.18 -0.47 -0.30 0.00 0.56 0.00 0.00 62.75 62.36 1x05 n ILE 9 Cb 0.55 -0.28 -0.15 0.00 -0.75 0.00 0.00 39.64 39.01 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 3.65 2.84 0.00 1.39 1.98 -1.26 -5.12 118.68 122.16 1x05 s LEU 10 Ca 0.57 -1.40 -0.01 0.00 -2.89 0.00 0.00 54.13 50.40 1x05 s LEU 10 Cb -0.38 -1.19 0.01 0.00 0.66 0.00 0.00 46.19 45.29 1x05 s LEU 10 CO 0.66 -0.29 0.02 0.29 -1.89 0.00 0.00 176.35 175.14 1x05 n LYS 11 N 4.64 -1.05 -0.11 1.98 5.02 -1.26 -4.97 118.16 122.40 1x05 n LYS 11 Ca -0.08 -0.04 -0.20 0.00 -2.02 0.00 0.00 58.31 55.98 1x05 n LYS 11 Cb 0.43 -0.06 -0.09 0.00 -0.02 0.00 0.00 35.03 35.30 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 0.51 0.15 1.97 -0.58 -1.26 -4.22 120.64 115.65 1x05 n GLU 12 Ca 0.00 0.17 0.11 0.00 -0.42 0.00 0.00 57.16 57.02 1x05 n GLU 12 Cb 0.01 -1.37 0.55 0.00 -0.57 0.00 0.00 31.44 30.07 1x05 n GLU 12 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1x05 n GLU 13 N -3.57 0.14 -0.76 3.49 0.28 -1.26 -0.70 120.64 118.26 1x05 n GLU 13 Ca -0.41 0.60 -0.03 0.00 -0.16 0.00 0.00 57.16 57.16 1x05 n GLU 13 Cb 0.86 -1.93 0.20 0.00 1.43 0.00 0.00 31.44 32.00 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 -2.22 0.97 -0.02 -1.84 3.72 -1.26 -4.59 117.46 112.21 1x05 n PHE 14 Ca -0.01 -1.55 -0.22 0.00 -0.05 0.00 0.00 57.45 55.63 1x05 n PHE 14 Cb 0.06 -0.46 -0.13 0.00 -0.94 0.00 0.00 39.48 38.01 1x05 n PHE 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x05 h ARG 15 N 1.03 0.19 0.00 -1.08 2.47 -1.08 -3.46 114.38 112.45 1x05 h ARG 15 Ca 0.19 -0.33 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 1x05 h ARG 15 Cb 1.58 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 30.03 1x05 h ARG 15 CO 0.34 1.16 0.00 0.41 0.56 0.00 0.00 179.97 182.44 1x05 n GLY 16 N 1.76 -3.44 3.50 0.04 0.00 -1.16 -4.96 105.19 100.93 1x05 n GLY 16 Ca -0.29 -1.19 -0.24 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.08 1.23 0.12 1.61 0.11 -1.25 -4.96 120.40 117.18 1x05 s VAL 17 Ca 0.00 -2.00 -0.15 0.00 -2.93 0.00 0.00 61.98 56.90 1x05 s VAL 17 Cb 0.00 -2.73 -0.07 0.00 -1.53 0.00 0.00 36.38 32.05 1x05 s VAL 17 CO 0.00 0.00 0.53 -0.63 -3.33 0.00 0.00 175.10 171.67 1x05 s ILE 18 N -3.18 4.86 -0.08 7.04 -1.09 -1.26 -2.99 121.20 124.50 1x05 s ILE 18 Ca 0.33 0.88 0.03 0.00 -2.23 0.00 0.00 60.65 59.66 1x05 s ILE 18 Cb 0.08 -3.76 -0.07 0.00 -1.58 0.00 0.00 42.46 37.13 1x05 s ILE 18 CO 0.15 0.33 -0.03 2.30 -1.23 0.00 0.00 174.94 176.46 1x05 n ILE 19 N 1.06 0.52 -3.63 2.92 -0.00 -0.89 -4.96 119.36 114.38 1x05 n ILE 19 Ca -0.07 -0.25 -0.16 0.00 -0.00 0.00 0.00 62.75 62.27 1x05 n ILE 19 Cb 0.52 -0.82 -0.07 0.00 -0.00 0.00 0.00 39.64 39.27 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 -2.18 0.87 0.20 6.28 2.20 -1.25 -5.07 119.74 120.80 1x05 s LYS 20 Ca -0.08 0.15 -0.07 0.00 -0.36 0.00 0.00 55.97 55.61 1x05 s LYS 20 Cb 0.03 0.41 -0.02 0.00 -1.51 0.00 0.00 37.83 36.73 1x05 s LYS 20 CO 0.25 -0.25 0.28 -0.65 -0.36 0.00 0.00 175.35 174.62 1x05 s GLN 21 N -1.08 1.28 0.00 4.03 -0.21 -1.26 -1.91 119.66 120.51 1x05 s GLN 21 Ca -0.11 -1.38 0.00 0.00 0.02 0.00 0.00 55.36 53.89 1x05 s GLN 21 Cb -0.02 0.36 0.00 0.00 1.00 0.00 0.00 33.01 34.35 1x05 s GLN 21 CO 0.07 -0.47 0.00 0.41 -2.12 0.00 0.00 175.29 173.18 1x05 n GLY 22 N -0.28 -0.43 3.56 3.09 0.00 -1.07 -5.03 105.19 105.03 1x05 n GLY 22 Ca -0.02 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.21 2.51 -0.60 0.00 1.43 0.11 -4.84 118.68 117.07 1x05 s LEU 24 Ca 0.04 -0.97 -0.19 0.00 -1.03 0.00 0.00 54.13 51.98 1x05 s LEU 24 Cb -0.13 -0.44 0.10 0.00 0.03 0.00 0.00 46.19 45.76 1x05 s LEU 24 CO 0.02 -0.27 0.72 -0.76 0.23 0.00 0.00 176.35 176.29 1x05 s LEU 25 N -3.05 5.35 -0.73 1.79 2.01 -1.25 -1.29 118.68 121.51 1x05 s LEU 25 Ca 0.16 -1.43 -0.23 0.00 0.01 0.00 0.00 54.13 52.64 1x05 s LEU 25 Cb 0.01 -2.31 0.07 0.00 0.01 0.00 0.00 46.19 43.97 1x05 s LEU 25 CO 0.02 -1.13 1.08 -0.75 1.01 0.00 0.00 176.35 176.58 1x05 s LYS 26 N 2.74 3.22 0.85 1.70 2.20 -1.21 -3.18 119.74 126.06 1x05 s LYS 26 Ca 0.12 -0.85 -0.10 0.00 -0.36 0.00 0.00 55.97 54.78 1x05 s LYS 26 Cb -0.24 -4.38 0.10 0.00 -1.51 0.00 0.00 37.83 31.81 1x05 s LYS 26 CO 0.06 -1.91 1.12 -0.65 -0.36 0.00 0.00 175.35 173.61 1x05 s GLN 27 N 4.29 1.59 0.00 4.03 -0.21 -0.99 -4.56 119.66 123.81 1x05 s GLN 27 Ca 0.28 1.35 0.00 0.00 0.02 0.00 0.00 55.36 57.01 1x05 s GLN 27 Cb -0.12 -1.81 0.00 0.00 1.00 0.00 0.00 33.01 32.08 1x05 s GLN 27 CO 0.07 -2.17 0.00 0.41 -2.12 0.00 0.00 175.29 171.48 1x05 n GLY 28 N -0.48 -0.26 0.03 3.09 0.00 -1.24 -4.69 105.19 101.64 1x05 n GLY 28 Ca 0.10 -1.39 -0.03 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.04 0.16 -0.11 1.61 -0.00 -1.26 -4.64 115.22 110.95 1x05 n HIS 29 Ca 0.00 0.07 -0.12 0.00 -0.00 0.00 0.00 57.72 57.67 1x05 n HIS 29 Cb 0.00 -0.32 -0.03 0.00 -0.00 0.00 0.00 29.99 29.64 1x05 n HIS 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1x05 h ARG 30 N -0.41 0.67 0.00 1.57 2.47 -2.03 -3.47 114.38 113.18 1x05 h ARG 30 Ca 0.00 -0.28 0.00 0.00 -1.26 0.00 0.00 59.98 58.44 1x05 h ARG 30 Cb 0.32 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 1x05 h ARG 30 CO 0.00 0.87 0.00 -2.13 0.56 0.00 0.00 179.97 179.27 1x05 n ARG 31 N -4.38 0.00 -0.16 0.04 0.63 -1.26 -5.16 116.66 106.37 1x05 n ARG 31 Ca -0.03 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.93 1x05 n ARG 31 Cb 0.37 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.28 1x05 n ARG 31 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1x05 n LYS 32 N 0.00 -0.32 -4.09 -0.14 4.76 -1.26 -3.63 118.16 113.48 1x05 n LYS 32 Ca 0.00 0.21 -0.34 0.00 -2.87 0.00 0.00 58.31 55.31 1x05 n LYS 32 Cb 0.00 -0.39 -0.10 0.00 -1.84 0.00 0.00 35.03 32.70 1x05 n LYS 32 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1x05 s ASN 33 N -4.02 5.43 -0.20 4.39 0.01 -1.26 -4.85 114.94 114.43 1x05 s ASN 33 Ca 0.00 0.02 -0.41 0.00 -0.71 0.00 0.00 52.86 51.77 1x05 s ASN 33 Cb 0.00 -1.92 -0.17 0.00 0.41 0.00 0.00 41.25 39.56 1x05 s ASN 33 CO 0.00 0.17 1.53 0.79 -1.51 0.00 0.00 177.10 178.08 1x05 n TRP 34 N 3.58 1.68 -4.39 2.20 7.02 -1.26 -4.84 117.44 121.43 1x05 n TRP 34 Ca -0.17 0.76 -0.20 0.00 -1.02 0.00 0.00 57.50 56.87 1x05 n TRP 34 Cb 0.52 -2.33 -0.10 0.00 -2.42 0.00 0.00 31.31 26.98 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 2.25 1.45 -0.04 -0.99 1.02 -1.26 -5.08 119.74 117.08 1x05 s LYS 35 Ca 0.96 -1.69 -0.00 0.00 0.02 0.00 0.00 55.97 55.25 1x05 s LYS 35 Cb -1.16 -1.13 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 1x05 s LYS 35 CO 0.64 0.11 -0.00 0.08 -0.92 0.00 0.00 175.35 175.25 1x05 s VAL 36 N -3.00 4.20 -0.03 3.17 1.01 -1.26 -3.28 120.40 121.20 1x05 s VAL 36 Ca 0.26 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.56 1x05 s VAL 36 Cb 0.02 -2.81 0.05 0.00 0.00 0.00 0.00 36.38 33.64 1x05 s VAL 36 CO 0.10 0.49 0.56 -0.60 0.00 0.00 0.00 175.10 175.65 1x05 s ARG 37 N -1.21 0.95 0.27 2.72 6.06 -0.42 -4.63 118.95 122.70 1x05 s ARG 37 Ca 0.16 0.08 -0.28 0.00 -2.50 0.00 0.00 55.73 53.20 1x05 s ARG 37 Cb -0.11 0.44 -0.09 0.00 0.06 0.00 0.00 34.95 35.24 1x05 s ARG 37 CO 0.06 -0.29 0.93 0.21 -2.50 0.00 0.00 175.30 173.71 1x05 s LYS 38 N -1.35 4.70 -0.06 5.12 2.20 0.22 0.05 119.74 130.62 1x05 s LYS 38 Ca -0.11 1.38 -0.01 0.00 -0.36 0.00 0.00 55.97 56.87 1x05 s LYS 38 Cb -0.02 -3.04 0.03 0.00 -1.51 0.00 0.00 37.83 33.29 1x05 s LYS 38 CO 0.07 0.41 0.00 -0.06 -0.36 0.00 0.00 175.35 175.41 1x05 s PHE 39 N -1.39 0.54 -0.10 4.03 0.40 0.62 -0.77 117.98 121.31 1x05 s PHE 39 Ca 0.45 -0.09 0.04 0.00 -0.60 0.00 0.00 56.93 56.73 1x05 s PHE 39 Cb -0.22 -0.68 -0.00 0.00 0.51 0.00 0.00 43.02 42.63 1x05 s PHE 39 CO 0.27 -0.26 -0.23 0.42 0.70 0.00 0.00 175.22 176.12 1x05 s ILE 40 N 1.71 2.15 -0.11 0.64 1.01 0.35 -2.59 121.20 124.36 1x05 s ILE 40 Ca 0.01 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.64 1x05 s ILE 40 Cb -0.13 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 1x05 s ILE 40 CO -0.04 0.56 -0.02 -0.22 0.00 0.00 0.00 174.94 175.22 1x05 s LEU 41 N 0.32 3.45 -0.03 2.97 2.96 -0.80 -0.37 118.68 127.18 1x05 s LEU 41 Ca -0.18 0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 53.77 1x05 s LEU 41 Cb -0.18 -1.80 0.03 0.00 0.50 0.00 0.00 46.19 44.75 1x05 s LEU 41 CO 0.09 0.31 0.04 0.00 -1.32 0.00 0.00 176.35 175.47 1x05 s ARG 42 N -0.48 -0.02 -0.07 1.98 1.70 -0.15 -2.09 118.95 119.82 1x05 s ARG 42 Ca 0.08 0.27 -0.05 0.00 -0.47 0.00 0.00 55.73 55.57 1x05 s ARG 42 Cb -0.12 -0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 33.81 1x05 s ARG 42 CO 0.02 -0.25 0.15 -1.83 -1.08 0.00 0.00 175.30 172.31 1x05 s GLU 43 N 1.63 3.42 -0.56 3.89 -1.05 -1.16 -0.38 118.70 124.48 1x05 s GLU 43 Ca -0.02 -0.23 -0.14 0.00 -0.15 0.00 0.00 54.97 54.44 1x05 s GLU 43 Cb -0.13 -3.13 0.02 0.00 -0.44 0.00 0.00 34.13 30.45 1x05 s GLU 43 CO -0.03 0.73 0.64 -0.25 0.95 0.00 0.00 175.26 177.30 1x05 n ASP 44 N 1.54 -7.14 -4.79 0.83 9.92 -1.26 -3.80 116.55 111.84 1x05 n ASP 44 Ca -0.16 0.08 -0.29 0.00 -0.53 0.00 0.00 54.79 53.89 1x05 n ASP 44 Cb 0.54 -4.31 0.13 0.00 -0.64 0.00 0.00 41.12 36.84 1x05 n ASP 44 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1x05 s PRO 45 N -2.95 1.33 -0.55 -0.24 0.04 -1.26 -3.00 135.00 128.37 1x05 s PRO 45 Ca 0.18 0.36 -0.17 0.00 0.04 0.00 0.00 61.00 61.40 1x05 s PRO 45 Cb -0.04 -1.86 0.11 0.00 0.04 0.00 0.00 34.50 32.75 1x05 s PRO 45 CO 0.80 -2.08 0.58 0.00 0.04 0.00 0.00 177.00 176.34 1x05 s ALA 46 N -3.26 3.52 0.11 8.56 0.00 -1.24 -4.68 121.76 124.77 1x05 s ALA 46 Ca 0.63 -2.31 -0.12 0.00 0.00 0.00 0.00 51.96 50.16 1x05 s ALA 46 Cb -0.15 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.62 1x05 s ALA 46 CO 0.53 -2.13 0.29 0.71 0.00 0.00 0.00 175.76 175.16 1x05 s TYR 47 N 2.13 0.02 -0.21 0.00 2.02 0.49 -3.05 117.35 118.74 1x05 s TYR 47 Ca 0.07 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.36 1x05 s TYR 47 Cb -0.26 0.08 0.06 0.00 -0.40 0.00 0.00 41.96 41.43 1x05 s TYR 47 CO 0.05 -0.62 -0.01 -1.17 -1.57 0.00 0.00 175.55 172.23 1x05 s LEU 48 N -2.85 1.88 -0.09 -1.29 1.98 -1.12 -0.98 118.68 116.21 1x05 s LEU 48 Ca 0.05 -0.98 -0.03 0.00 -2.89 0.00 0.00 54.13 50.28 1x05 s LEU 48 Cb 0.03 -0.90 -0.03 0.00 0.66 0.00 0.00 46.19 45.95 1x05 s LEU 48 CO -0.11 -0.26 0.03 -1.00 -1.89 0.00 0.00 176.35 173.12 1x05 s HIS 49 N 1.62 3.25 0.10 5.38 3.76 0.51 -0.86 115.29 129.05 1x05 s HIS 49 Ca -0.03 0.26 0.08 0.00 -0.15 0.00 0.00 55.06 55.22 1x05 s HIS 49 Cb -0.18 -1.82 -0.03 0.00 1.11 0.00 0.00 32.58 31.65 1x05 s HIS 49 CO -0.07 0.52 -0.20 1.52 -0.85 0.00 0.00 174.74 175.66 1x05 s TYR 50 N -0.89 1.72 0.15 1.40 1.13 -1.10 0.13 117.35 119.88 1x05 s TYR 50 Ca 0.13 -0.43 0.01 0.00 -1.41 0.00 0.00 57.07 55.38 1x05 s TYR 50 Cb -0.11 -0.94 -0.04 0.00 -1.10 0.00 0.00 41.96 39.76 1x05 s TYR 50 CO 0.03 0.19 -0.00 0.71 -2.51 0.00 0.00 175.55 173.97 1x05 s TYR 51 N -1.21 1.08 0.28 -3.49 1.51 0.05 -0.61 117.35 114.96 1x05 s TYR 51 Ca 0.06 -1.04 -0.29 0.00 -1.01 0.00 0.00 57.07 54.79 1x05 s TYR 51 Cb -0.10 -0.62 -0.09 0.00 -0.11 0.00 0.00 41.96 41.04 1x05 s TYR 51 CO 0.04 -0.26 1.09 0.34 -1.11 0.00 0.00 175.55 175.65 1x05 s ASP 52 N -3.12 7.27 0.08 2.29 2.15 -1.26 0.70 116.67 124.77 1x05 s ASP 52 Ca 0.21 2.24 -0.14 0.00 0.43 0.00 0.00 52.55 55.29 1x05 s ASP 52 Cb 0.06 -2.62 -0.21 0.00 -0.30 0.00 0.00 42.92 39.85 1x05 s ASP 52 CO 0.02 -0.14 1.22 1.55 -0.17 0.00 0.00 175.17 177.65 1x05 h PRO 53 N 3.78 0.71 -0.90 4.34 0.13 -1.92 -3.22 132.00 134.92 1x05 h PRO 53 Ca -0.47 -0.70 0.23 0.00 -0.87 0.00 0.00 66.00 64.20 1x05 h PRO 53 Cb 1.21 0.18 -0.13 0.00 0.13 0.00 0.00 31.00 32.39 1x05 h PRO 53 CO 0.67 1.29 0.34 0.00 -0.23 0.00 0.00 178.00 180.07 1x05 h ALA 54 N 0.44 1.41 0.00 -0.56 0.00 -1.93 -3.45 119.26 115.17 1x05 h ALA 54 Ca -0.10 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1x05 h ALA 54 Cb 1.57 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1x05 h ALA 54 CO 0.18 -0.42 0.00 0.41 0.00 0.00 0.00 179.25 179.43 1x05 n GLY 55 N -1.35 4.28 0.00 0.00 0.00 -1.21 -5.19 105.19 101.71 1x05 n GLY 55 Ca 0.23 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.24 0.00 0.07 4.61 0.00 -1.26 -4.91 120.51 118.78 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 -3.52 0.00 -0.58 -1.26 -4.91 120.64 110.37 1x05 n GLU 57 Ca 0.00 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 1x05 n GLU 57 Cb 0.00 -0.20 -0.04 0.00 -0.57 0.00 0.00 31.44 30.63 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 -5.29 6.48 0.15 1.62 1.47 -1.26 -5.01 116.67 114.84 1x05 s ASP 58 Ca 0.00 0.66 -0.30 0.00 1.18 0.00 0.00 52.55 54.09 1x05 s ASP 58 Cb 0.00 -2.12 -0.07 0.00 -0.34 0.00 0.00 42.92 40.39 1x05 s ASP 58 CO 0.00 -0.07 1.13 -2.16 0.68 0.00 0.00 175.17 174.75 1x05 s PRO 59 N -3.09 4.55 0.31 2.11 0.04 -1.26 -4.77 135.00 132.89 1x05 s PRO 59 Ca 0.43 1.74 0.02 0.00 0.04 0.00 0.00 61.00 63.23 1x05 s PRO 59 Cb -0.11 -3.29 0.77 0.00 0.04 0.00 0.00 34.50 31.91 1x05 s PRO 59 CO 0.26 -0.02 1.57 -0.07 0.04 0.00 0.00 177.00 178.78 1x05 h LEU 60 N 5.51 -0.48 0.00 -3.56 -0.00 -1.22 -3.45 115.31 112.11 1x05 h LEU 60 Ca -0.44 0.28 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 1x05 h LEU 60 Cb 1.21 0.49 0.00 0.00 -0.00 0.00 0.00 40.66 42.37 1x05 h LEU 60 CO 0.74 -0.37 0.00 0.61 -0.00 0.00 0.00 178.44 179.43 1x05 n GLY 61 N -1.50 1.49 3.20 0.83 0.00 -1.25 -5.06 105.19 102.90 1x05 n GLY 61 Ca 0.24 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 0.26 -0.18 4.61 0.00 -1.26 -2.72 121.76 121.47 1x05 s ALA 62 Ca 0.00 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.94 1x05 s ALA 62 Cb 0.00 0.64 0.03 0.00 0.00 0.00 0.00 23.12 23.79 1x05 s ALA 62 CO 0.00 -0.51 -0.12 0.42 0.00 0.00 0.00 175.76 175.55 1x05 s ILE 63 N -3.95 1.61 0.23 0.00 1.01 -0.04 -4.95 121.20 115.10 1x05 s ILE 63 Ca 0.13 -0.85 -0.32 0.00 0.00 0.00 0.00 60.65 59.62 1x05 s ILE 63 Cb 0.06 -1.61 -0.12 0.00 0.01 0.00 0.00 42.46 40.79 1x05 s ILE 63 CO -0.05 0.29 1.63 1.57 0.00 0.00 0.00 174.94 178.38 1x05 n HIS 64 N 4.72 2.66 0.25 3.97 -0.00 -1.26 -2.79 115.22 122.77 1x05 n HIS 64 Ca -0.16 0.18 0.03 0.00 0.46 0.00 0.00 57.72 58.24 1x05 n HIS 64 Cb 0.48 -2.61 0.02 0.00 -0.12 0.00 0.00 29.99 27.76 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 3.13 1.37 -0.23 0.27 4.77 -1.17 -4.42 117.00 120.71 1x05 n LEU 65 Ca 0.13 -0.95 -0.06 0.00 -0.03 0.00 0.00 56.01 55.10 1x05 n LEU 65 Cb 0.34 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.38 1x05 n LEU 65 CO 0.64 0.29 0.45 0.54 -1.33 0.00 0.00 177.39 177.98 1x05 n ARG 66 N 0.19 -0.24 -1.76 3.23 1.74 -1.26 -2.85 116.66 115.71 1x05 n ARG 66 Ca 0.03 1.20 -0.05 0.00 -0.77 0.00 0.00 57.85 58.27 1x05 n ARG 66 Cb 0.14 -1.78 0.07 0.00 -1.02 0.00 0.00 32.46 29.88 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 -1.14 3.80 3.60 -0.13 0.00 -1.26 -4.89 105.19 105.17 1x05 n GLY 67 Ca 0.01 -1.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 1x05 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 s VAL 69 N -2.83 1.43 -0.04 0.00 1.01 0.34 -4.96 120.40 115.34 1x05 s VAL 69 Ca 0.67 -1.17 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1x05 s VAL 69 Cb -0.18 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1x05 s VAL 69 CO 0.59 0.08 -0.12 -0.69 0.00 0.00 0.00 175.10 174.96 1x05 s VAL 70 N -0.88 3.25 0.31 2.92 1.01 -1.26 -1.19 120.40 124.55 1x05 s VAL 70 Ca 0.05 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.16 1x05 s VAL 70 Cb -0.09 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 34.01 1x05 s VAL 70 CO 0.02 0.56 0.67 0.28 0.00 0.00 0.00 175.10 176.63 1x05 s THR 71 N -0.79 0.00 0.09 3.92 -1.32 -0.74 -4.98 115.64 111.82 1x05 s THR 71 Ca 0.12 -1.12 0.10 0.00 -1.21 0.00 0.00 61.69 59.58 1x05 s THR 71 Cb -0.11 -2.32 -0.04 0.00 -1.51 0.00 0.00 72.50 68.52 1x05 s THR 71 CO 0.02 0.00 -0.24 -0.44 -2.21 0.00 0.00 174.62 171.74 1x05 s SER 72 N -3.00 3.42 1.03 8.08 0.01 -1.26 -2.79 113.70 119.19 1x05 s SER 72 Ca 0.16 -0.64 -0.12 0.00 1.31 0.00 0.00 55.95 56.66 1x05 s SER 72 Cb -0.04 -0.34 0.17 0.00 0.21 0.00 0.00 66.02 66.02 1x05 s SER 72 CO 0.10 0.21 0.91 1.33 0.41 0.00 0.00 173.24 176.20 1x05 n VAL 73 N 1.23 0.00 -0.09 3.43 0.24 -1.23 -4.67 118.33 117.24 1x05 n VAL 73 Ca -0.17 -0.63 -0.12 0.00 -2.04 0.00 0.00 64.34 61.38 1x05 n VAL 73 Cb 0.53 -1.56 -0.10 0.00 -1.47 0.00 0.00 33.84 31.24 1x05 n VAL 73 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1x05 n GLU 74 N -3.16 0.68 -3.62 7.34 0.28 -1.26 -5.00 120.64 115.90 1x05 n GLU 74 Ca 0.12 0.09 -0.21 0.00 -0.16 0.00 0.00 57.16 57.00 1x05 n GLU 74 Cb 0.41 -1.39 0.00 0.00 1.43 0.00 0.00 31.44 31.89 1x05 n GLU 74 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1x05 n SER 75 N -2.97 -5.50 -4.56 -1.84 3.41 -1.26 -4.82 113.62 96.07 1x05 n SER 75 Ca -0.33 -0.72 -0.38 0.00 -0.26 0.00 0.00 58.87 57.19 1x05 n SER 75 Cb 0.89 -2.42 0.05 0.00 -0.26 0.00 0.00 64.21 62.47 1x05 n SER 75 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1x05 n ASN 76 N -2.26 0.05 0.00 4.04 0.23 -1.26 -4.96 115.26 111.09 1x05 n ASN 76 Ca -0.24 0.76 0.00 0.00 -0.53 0.00 0.00 54.58 54.57 1x05 n ASN 76 Cb 0.65 -1.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.04 1x05 n ASN 76 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1x05 n SER 77 N -0.40 0.00 -4.58 0.53 7.64 -1.26 -4.73 113.62 110.82 1x05 n SER 77 Ca 0.13 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.58 1x05 n SER 77 Cb 0.48 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.65 1x05 n SER 77 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1x05 s ASN 78 N 0.00 6.56 0.90 6.43 3.84 -1.26 -4.82 114.94 126.59 1x05 s ASN 78 Ca 0.00 0.27 0.00 0.00 0.21 0.00 0.00 52.86 53.34 1x05 s ASN 78 Cb 0.00 -2.49 0.00 0.00 -0.55 0.00 0.00 41.25 38.21 1x05 s ASN 78 CO 0.00 -1.13 0.00 0.61 -2.79 0.00 0.00 177.10 173.79 1x05 n GLY 79 N 4.89 0.64 3.17 1.21 0.00 -1.26 -4.36 105.19 109.47 1x05 n GLY 79 Ca 0.09 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 1x05 n GLY 79 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x05 s ARG 80 N 0.00 2.96 0.30 1.61 6.06 -1.26 -5.04 118.95 123.57 1x05 s ARG 80 Ca 0.00 -2.59 0.07 0.00 -2.50 0.00 0.00 55.73 50.71 1x05 s ARG 80 Cb 0.00 -3.97 -0.06 0.00 0.06 0.00 0.00 34.95 30.99 1x05 s ARG 80 CO 0.00 -1.22 -0.06 0.21 -2.50 0.00 0.00 175.30 171.73 1x05 s LYS 81 N -0.14 1.62 -0.24 5.12 2.47 -1.26 -5.13 119.74 122.18 1x05 s LYS 81 Ca 0.18 -1.83 -0.05 0.00 -1.56 0.00 0.00 55.97 52.72 1x05 s LYS 81 Cb -0.16 -1.26 -0.01 0.00 -1.46 0.00 0.00 37.83 34.94 1x05 s LYS 81 CO -0.06 0.05 -0.00 0.45 0.16 0.00 0.00 175.35 175.95 1x05 s SER 82 N -3.48 4.59 0.23 1.43 0.15 -1.26 -4.86 113.70 110.50 1x05 s SER 82 Ca 0.30 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1x05 s SER 82 Cb 0.04 -1.80 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 1x05 s SER 82 CO 0.13 -0.04 0.00 1.21 1.20 0.00 0.00 173.24 175.74 1x05 n GLU 83 N 4.83 0.00 -3.72 5.44 4.07 -1.26 -5.13 120.64 124.88 1x05 n GLU 83 Ca -0.17 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.79 1x05 n GLU 83 Cb 0.51 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.75 1x05 n GLU 83 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1x05 s GLU 84 N -1.51 0.14 0.00 5.31 2.02 -1.26 -5.15 118.70 118.24 1x05 s GLU 84 Ca 0.00 0.52 0.00 0.00 0.02 0.00 0.00 54.97 55.51 1x05 s GLU 84 Cb 0.00 -0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.08 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 4.54 2.47 -3.17 1.61 1.02 -1.26 -4.89 120.64 120.95 1x05 n GLU 85 Ca -0.20 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.51 1x05 n GLU 85 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.86 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 -1.78 6.31 0.40 1.62 0.01 -1.26 -4.90 114.94 115.34 1x05 s ASN 86 Ca 0.00 -0.26 0.04 0.00 -0.71 0.00 0.00 52.86 51.93 1x05 s ASN 86 Cb 0.00 -2.29 -0.04 0.00 0.41 0.00 0.00 41.25 39.32 1x05 s ASN 86 CO 0.00 -0.66 0.07 -1.48 -1.51 0.00 0.00 177.10 173.52 1x05 s LEU 87 N 2.61 2.21 -0.05 0.60 2.34 -1.26 0.75 118.68 125.88 1x05 s LEU 87 Ca 0.20 -1.53 -0.21 0.00 0.06 0.00 0.00 54.13 52.66 1x05 s LEU 87 Cb -0.15 -0.41 0.04 0.00 -0.56 0.00 0.00 46.19 45.12 1x05 s LEU 87 CO 0.16 -0.75 0.47 0.72 -1.06 0.00 0.00 176.35 175.90 1x05 s PHE 88 N -3.13 -0.41 -0.17 3.48 -0.12 -0.74 -3.47 117.98 113.43 1x05 s PHE 88 Ca 0.26 0.74 -0.09 0.00 -0.05 0.00 0.00 56.93 57.79 1x05 s PHE 88 Cb 0.05 0.22 -0.05 0.00 -0.63 0.00 0.00 43.02 42.62 1x05 s PHE 88 CO 0.13 -0.45 0.13 -2.00 -0.05 0.00 0.00 175.22 172.98 1x05 s GLU 89 N -1.03 3.93 -0.27 1.99 2.12 -1.12 -2.29 118.70 122.03 1x05 s GLU 89 Ca -0.11 -0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.04 1x05 s GLU 89 Cb -0.03 -3.33 0.08 0.00 0.26 0.00 0.00 34.13 31.10 1x05 s GLU 89 CO 0.06 0.46 -0.01 0.42 -0.54 0.00 0.00 175.26 175.65 1x05 s ILE 90 N -0.10 1.64 0.22 -3.70 1.01 -0.96 -1.79 121.20 117.52 1x05 s ILE 90 Ca 0.10 -1.54 -0.24 0.00 0.00 0.00 0.00 60.65 58.97 1x05 s ILE 90 Cb -0.11 -2.02 -0.08 0.00 0.01 0.00 0.00 42.46 40.25 1x05 s ILE 90 CO 0.00 -0.31 0.80 -0.63 0.00 0.00 0.00 174.94 174.80 1x05 s ILE 91 N 1.29 4.40 0.53 2.92 1.01 -0.33 -3.12 121.20 127.90 1x05 s ILE 91 Ca 0.00 1.59 0.06 0.00 0.00 0.00 0.00 60.65 62.30 1x05 s ILE 91 Cb -0.19 -4.02 0.06 0.00 0.01 0.00 0.00 42.46 38.33 1x05 s ILE 91 CO -0.10 0.33 0.51 0.35 0.00 0.00 0.00 174.94 176.04 1x05 n THR 92 N 1.07 0.00 0.30 2.92 -2.24 -0.46 0.13 114.28 116.00 1x05 n THR 92 Ca -0.03 -1.96 0.09 0.00 -2.27 0.00 0.00 64.05 59.88 1x05 n THR 92 Cb 0.50 -0.23 0.40 0.00 -2.10 0.00 0.00 70.33 68.90 1x05 n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x05 n ALA 93 N -2.09 1.41 1.07 6.98 0.00 -1.26 -0.12 120.51 126.50 1x05 n ALA 93 Ca -0.15 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.48 1x05 n ALA 93 Cb 0.58 -1.28 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 -0.25 0.00 0.00 0.00 177.50 177.25 1x05 n ASP 94 N -1.97 2.73 0.00 0.00 8.00 -1.26 -4.91 116.55 119.14 1x05 n ASP 94 Ca 0.01 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.61 1x05 n ASP 94 Cb 0.13 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 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 1.13 -0.10 -2.09 -1.24 1.02 0.82 -4.98 120.64 115.20 1x05 n GLU 95 Ca 0.15 0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.90 1x05 n GLU 95 Cb 0.55 -2.95 -0.03 0.00 -0.02 0.00 0.00 31.44 28.99 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 -2.87 3.08 0.02 2.62 1.01 -1.26 -4.62 120.40 118.38 1x05 s VAL 96 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.76 1x05 s VAL 96 Cb 0.00 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1x05 s VAL 96 CO 0.00 0.06 0.10 -1.00 0.00 0.00 0.00 175.10 174.26 1x05 s HIS 97 N 1.08 3.31 -0.05 5.22 3.76 -1.26 -1.35 115.29 126.00 1x05 s HIS 97 Ca 0.66 0.19 -0.02 0.00 -0.15 0.00 0.00 55.06 55.74 1x05 s HIS 97 Cb -0.39 -1.72 0.04 0.00 1.11 0.00 0.00 32.58 31.62 1x05 s HIS 97 CO 0.31 0.56 0.10 0.71 -0.85 0.00 0.00 174.74 175.56 1x05 s TYR 98 N -1.29 -0.05 -0.45 1.40 2.02 -1.18 -4.94 117.35 112.86 1x05 s TYR 98 Ca 0.26 0.37 -0.16 0.00 -0.37 0.00 0.00 57.07 57.17 1x05 s TYR 98 Cb -0.12 -0.30 0.05 0.00 -0.40 0.00 0.00 41.96 41.19 1x05 s TYR 98 CO 0.18 -0.19 0.40 -0.06 -1.57 0.00 0.00 175.55 174.31 1x05 s PHE 99 N 1.81 3.21 -0.17 2.71 0.08 -1.26 -2.27 117.98 122.10 1x05 s PHE 99 Ca -0.01 -0.71 -0.04 0.00 0.12 0.00 0.00 56.93 56.28 1x05 s PHE 99 Cb -0.12 -3.02 -0.03 0.00 -0.57 0.00 0.00 43.02 39.28 1x05 s PHE 99 CO -0.04 -0.75 -0.02 -0.51 -0.10 0.00 0.00 175.22 173.79 1x05 s LEU 100 N 1.83 3.29 -0.33 -0.37 2.01 -0.97 -2.36 118.68 121.78 1x05 s LEU 100 Ca 0.07 -0.13 -0.18 0.00 0.01 0.00 0.00 54.13 53.90 1x05 s LEU 100 Cb -0.21 -1.80 -0.01 0.00 0.01 0.00 0.00 46.19 44.17 1x05 s LEU 100 CO 0.09 0.14 0.49 -1.58 1.01 0.00 0.00 176.35 176.50 1x05 s GLN 101 N 0.52 3.71 0.22 1.70 0.74 -1.19 -1.78 119.66 123.57 1x05 s GLN 101 Ca -0.02 -0.10 -0.24 0.00 0.05 0.00 0.00 55.36 55.04 1x05 s GLN 101 Cb -0.14 -3.77 -0.08 0.00 1.10 0.00 0.00 33.01 30.11 1x05 s GLN 101 CO 0.02 -0.56 0.81 0.00 -0.55 0.00 0.00 175.29 175.01 1x05 s ALA 102 N 2.32 3.39 0.07 1.58 0.00 0.23 -3.85 121.76 125.50 1x05 s ALA 102 Ca 0.18 0.36 -0.27 0.00 0.00 0.00 0.00 51.96 52.23 1x05 s ALA 102 Cb -0.16 -2.98 -0.12 0.00 0.00 0.00 0.00 23.12 19.86 1x05 s ALA 102 CO 0.12 0.27 1.43 0.00 0.00 0.00 0.00 175.76 177.58 1x05 h ALA 103 N 3.85 -0.95 -1.68 0.00 0.00 -1.88 -3.38 119.26 115.21 1x05 h ALA 103 Ca -0.47 -0.11 -0.49 0.00 0.00 0.00 0.00 54.91 53.84 1x05 h ALA 103 Cb 1.20 0.74 -0.04 0.00 0.00 0.00 0.00 17.79 19.70 1x05 h ALA 103 CO 0.66 -1.03 -0.41 0.95 0.00 0.00 0.00 179.25 179.42 1x05 s THR 104 N -5.14 3.08 -1.19 0.00 -4.23 -1.26 -4.84 115.64 102.06 1x05 s THR 104 Ca -0.13 -1.36 0.22 0.00 -1.18 0.00 0.00 61.69 59.24 1x05 s THR 104 Cb 0.04 -3.08 0.28 0.00 1.34 0.00 0.00 72.50 71.07 1x05 s THR 104 CO 0.46 -0.09 1.71 -0.81 -0.54 0.00 0.00 174.62 175.36 1x05 n PRO 105 N -1.46 0.14 0.01 3.99 -0.04 -1.26 -2.64 135.00 133.75 1x05 n PRO 105 Ca 0.01 0.10 -0.15 0.00 -0.04 0.00 0.00 63.50 63.42 1x05 n PRO 105 Cb 0.61 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.16 -0.29 0.54 3.64 -1.96 -3.33 116.57 115.33 1x05 h LYS 106 Ca 0.00 -0.27 -0.08 0.00 -1.27 0.00 0.00 60.65 59.03 1x05 h LYS 106 Cb 0.30 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1x05 h LYS 106 CO 0.00 0.92 -0.12 1.49 -2.27 0.00 0.00 179.45 179.47 1x05 h GLU 107 N 0.04 0.59 -0.67 1.90 4.57 -1.89 -1.24 114.58 117.88 1x05 h GLU 107 Ca -0.32 -0.25 0.14 0.00 -1.18 0.00 0.00 59.36 57.75 1x05 h GLU 107 Cb 2.02 -0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 30.49 1x05 h GLU 107 CO 0.10 0.82 0.12 -0.09 -1.18 0.00 0.00 179.01 178.79 1x05 h ARG 108 N 0.34 0.23 -0.32 1.92 2.43 -1.67 0.82 114.38 118.12 1x05 h ARG 108 Ca 0.07 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.10 1x05 h ARG 108 Cb 0.63 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1x05 h ARG 108 CO 0.04 0.15 -0.26 1.15 -1.51 0.00 0.00 179.97 179.54 1x05 h THR 109 N 0.24 1.29 0.60 0.20 2.02 -1.64 -2.91 112.91 112.71 1x05 h THR 109 Ca 0.36 -1.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.10 1x05 h THR 109 Cb 0.59 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1x05 h THR 109 CO -0.48 0.46 -0.32 -0.33 0.37 0.00 0.00 175.52 175.22 1x05 h GLU 110 N 0.51 -0.82 -0.63 6.66 5.08 0.19 -2.23 114.58 123.35 1x05 h GLU 110 Ca 0.06 0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1x05 h GLU 110 Cb 0.83 0.19 -0.09 0.00 0.50 0.00 0.00 28.75 30.18 1x05 h GLU 110 CO 0.07 -0.55 -0.47 -1.49 -1.00 0.00 0.00 179.01 175.57 1x05 h TRP 111 N -0.85 -1.49 -0.10 4.33 -0.00 0.53 1.63 115.95 120.00 1x05 h TRP 111 Ca -0.08 0.09 0.01 0.00 -0.00 0.00 0.00 58.89 58.91 1x05 h TRP 111 Cb 0.67 0.73 -0.01 0.00 -0.00 0.00 0.00 29.16 30.54 1x05 h TRP 111 CO -0.06 -0.34 -0.06 0.82 -0.00 0.00 0.00 178.44 178.80 1x05 h ILE 112 N -0.13 0.00 -0.89 1.49 2.04 -1.37 1.82 117.51 120.46 1x05 h ILE 112 Ca 0.10 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.20 1x05 h ILE 112 Cb 0.39 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.42 1x05 h ILE 112 CO -0.66 0.00 0.62 0.11 0.00 0.00 0.00 178.15 178.23 1x05 h LYS 113 N -0.00 0.14 0.60 2.37 1.57 -0.58 0.73 116.57 121.40 1x05 h LYS 113 Ca 0.02 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1x05 h LYS 113 Cb 0.04 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.33 1x05 h LYS 113 CO -0.10 0.09 -0.29 0.00 -0.57 0.00 0.00 179.45 178.58 1x05 h ALA 114 N 1.58 -0.81 -0.92 3.86 0.00 1.36 0.35 119.26 124.68 1x05 h ALA 114 Ca 0.44 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1x05 h ALA 114 Cb 1.52 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.57 1x05 h ALA 114 CO -0.07 -0.82 0.61 0.82 0.00 0.00 0.00 179.25 179.79 1x05 h ILE 115 N -1.08 1.19 -0.07 0.00 2.04 0.37 -2.16 117.51 117.79 1x05 h ILE 115 Ca -0.08 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 1x05 h ILE 115 Cb 0.67 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1x05 h ILE 115 CO 0.14 0.22 0.04 1.56 0.00 0.00 0.00 178.15 180.10 1x05 h GLN 116 N 1.19 0.10 -0.82 2.37 1.08 0.49 0.22 115.11 119.74 1x05 h GLN 116 Ca 0.35 -0.01 0.18 0.00 -1.45 0.00 0.00 58.65 57.72 1x05 h GLN 116 Cb -0.05 -0.02 -0.11 0.00 -0.05 0.00 0.00 27.48 27.25 1x05 h GLN 116 CO -0.09 0.16 0.32 0.00 -0.95 0.00 0.00 178.83 178.26 1x05 h MET 117 N 0.02 0.39 0.32 1.46 -0.00 0.33 1.52 114.93 118.97 1x05 h MET 117 Ca 0.03 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.70 59.69 1x05 h MET 117 Cb 0.08 -0.09 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1x05 h MET 117 CO -0.00 0.26 -0.15 0.00 -0.00 0.00 0.00 176.91 177.01 1x05 h ALA 118 N 1.63 -0.43 -0.84 -3.00 0.00 -1.13 -3.13 119.26 112.37 1x05 h ALA 118 Ca 0.48 -0.17 0.23 0.00 0.00 0.00 0.00 54.91 55.45 1x05 h ALA 118 Cb 0.83 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1x05 h ALA 118 CO -0.48 -0.45 0.59 0.66 0.00 0.00 0.00 179.25 179.57 1x05 h SER 119 N -1.01 0.09 -0.28 0.00 4.64 0.07 0.63 113.55 117.69 1x05 h SER 119 Ca -0.04 0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.32 1x05 h SER 119 Cb 0.47 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1x05 h SER 119 CO 0.07 0.04 0.19 0.03 -0.87 0.00 0.00 176.83 176.29 1x05 h ARG 120 N 0.09 0.25 0.00 4.77 2.47 0.22 -3.45 114.38 118.72 1x05 h ARG 120 Ca 0.41 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.11 1x05 h ARG 120 Cb 1.48 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.74 1x05 h ARG 120 CO -0.04 0.16 0.00 0.25 0.56 0.00 0.00 179.97 180.90 1x05 n THR 121 N -4.49 0.00 -1.19 2.04 -2.24 0.22 -4.49 114.28 104.13 1x05 n THR 121 Ca 0.02 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.85 1x05 n THR 121 Cb 0.17 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.46 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 2.55 0.06 3.38 0.00 -1.26 -5.03 105.19 104.89 1x05 n GLY 122 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.73 -0.16 -3.45 1.61 3.00 -1.26 -4.82 118.16 112.35 1x05 n LYS 123 Ca 0.07 0.13 -0.44 0.00 -0.00 0.00 0.00 58.31 58.07 1x05 n LYS 123 Cb 0.59 -0.16 -0.04 0.00 0.00 0.00 0.00 35.03 35.42 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 -3.15 6.37 0.00 3.14 0.15 -1.26 -4.96 113.70 113.99 1x05 s SER 124 Ca 0.00 -2.85 0.00 0.00 0.70 0.00 0.00 55.95 53.80 1x05 s SER 124 Cb 0.00 -2.10 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 1x05 s SER 124 CO 0.00 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.57 1x05 n GLY 125 N 3.67 -0.76 0.11 9.45 0.00 -1.26 -5.01 105.19 111.38 1x05 n GLY 125 Ca 0.13 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 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 0.23 -3.20 1.61 0.13 -1.97 -3.50 132.00 125.30 1x05 h PRO 126 Ca 0.00 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1x05 h PRO 126 Cb 0.00 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.19 1x05 h PRO 126 CO 0.00 0.92 -0.80 0.45 -0.23 0.00 0.00 178.00 178.34 1x05 n SER 127 N -4.48 -7.46 -2.99 1.44 2.88 -1.26 -4.91 113.62 96.85 1x05 n SER 127 Ca -0.09 1.24 -0.01 0.00 -1.33 0.00 0.00 58.87 58.68 1x05 n SER 127 Cb 0.51 -4.07 0.00 0.00 -0.75 0.00 0.00 64.21 59.90 1x05 n SER 127 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x05 n SER 128 N -1.39 -7.21 0.00 -3.46 2.88 -1.26 -5.25 113.62 97.93 1x05 n SER 128 Ca 0.00 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 1x05 n SER 128 Cb 0.13 -3.25 0.00 0.00 -0.75 0.00 0.00 64.21 60.34 1x05 n SER 128 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42