#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 -4.94 -2.81 1.61 7.64 -1.26 -4.57 113.62 109.29 1x05 n SER 2 Ca 0.00 1.15 -0.01 0.00 1.01 0.00 0.00 58.87 61.02 1x05 n SER 2 Cb 0.00 -3.95 0.00 0.00 -1.01 0.00 0.00 64.21 59.25 1x05 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x05 n SER 3 N 1.54 -7.80 -0.21 6.43 7.64 -1.26 -4.87 113.62 115.09 1x05 n SER 3 Ca -0.16 1.24 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1x05 n SER 3 Cb 0.32 -4.72 0.00 0.00 -1.01 0.00 0.00 64.21 58.80 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 0.76 -3.27 2.78 0.23 0.00 -1.26 -4.99 105.19 99.44 1x05 n GLY 4 Ca 0.00 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.80 1x05 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x05 s SER 5 N -1.93 1.18 0.18 1.61 1.04 -1.26 -4.69 113.70 109.82 1x05 s SER 5 Ca 0.00 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1x05 s SER 5 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1x05 s SER 5 CO 0.00 -0.32 0.00 -1.20 0.98 0.00 0.00 173.24 172.70 1x05 n SER 6 N 5.33 -8.41 0.00 7.02 7.64 -1.26 -4.99 113.62 118.94 1x05 n SER 6 Ca -0.05 1.30 0.00 0.00 1.01 0.00 0.00 58.87 61.13 1x05 n SER 6 Cb 0.50 -4.73 0.00 0.00 -1.01 0.00 0.00 64.21 58.96 1x05 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x05 n GLY 7 N 1.74 -0.67 3.12 0.23 0.00 -1.26 -5.12 105.19 103.23 1x05 n GLY 7 Ca 0.00 0.26 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.72 0.73 1.61 1.01 -1.26 -5.13 120.40 118.09 1x05 s VAL 8 Ca 0.00 -1.39 -0.17 0.00 0.00 0.00 0.00 61.98 60.42 1x05 s VAL 8 Cb 0.00 -1.03 -0.09 0.00 0.00 0.00 0.00 36.38 35.26 1x05 s VAL 8 CO 0.00 -0.50 0.09 -0.38 0.00 0.00 0.00 175.10 174.32 1x05 n ILE 9 N 0.96 0.88 -4.03 2.22 2.08 -1.26 -4.95 119.36 115.26 1x05 n ILE 9 Ca -0.19 -0.43 -0.32 0.00 0.56 0.00 0.00 62.75 62.36 1x05 n ILE 9 Cb 0.56 -0.40 -0.15 0.00 -0.75 0.00 0.00 39.64 38.91 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 2.71 3.86 0.00 1.39 1.98 -1.26 -5.11 118.68 122.24 1x05 s LEU 10 Ca 0.58 -1.57 -0.01 0.00 -2.89 0.00 0.00 54.13 50.25 1x05 s LEU 10 Cb -0.35 -1.60 0.01 0.00 0.66 0.00 0.00 46.19 44.91 1x05 s LEU 10 CO 0.65 -0.25 0.02 0.29 -1.89 0.00 0.00 176.35 175.17 1x05 n LYS 11 N 4.42 -1.03 -0.07 1.98 5.02 -1.26 -4.93 118.16 122.29 1x05 n LYS 11 Ca -0.10 -0.03 -0.10 0.00 -2.02 0.00 0.00 58.31 56.06 1x05 n LYS 11 Cb 0.42 -0.05 -0.07 0.00 -0.02 0.00 0.00 35.03 35.31 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 -1.54 0.41 0.04 1.97 -0.58 -1.26 -3.97 120.64 115.71 1x05 n GLU 12 Ca 0.00 0.08 0.07 0.00 -0.42 0.00 0.00 57.16 56.89 1x05 n GLU 12 Cb 0.01 -1.29 0.31 0.00 -0.57 0.00 0.00 31.44 29.90 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 -2.91 0.05 -0.03 3.49 0.28 -1.26 -1.59 120.64 118.68 1x05 n GLU 13 Ca -0.25 0.37 0.06 0.00 -0.16 0.00 0.00 57.16 57.17 1x05 n GLU 13 Cb 0.77 -1.62 -0.15 0.00 1.43 0.00 0.00 31.44 31.88 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 -1.72 0.00 -0.65 -1.84 3.01 -1.26 -4.40 117.46 110.60 1x05 n PHE 14 Ca 0.02 0.00 0.50 0.00 1.01 0.00 0.00 57.45 58.98 1x05 n PHE 14 Cb 0.14 -0.55 0.78 0.00 -0.01 0.00 0.00 39.48 39.84 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 -2.29 -0.01 0.00 -1.08 5.12 -0.62 -4.30 116.66 113.48 1x05 n ARG 15 Ca -0.09 1.11 0.00 0.00 -1.93 0.00 0.00 57.85 56.93 1x05 n ARG 15 Cb 0.64 -2.46 0.00 0.00 -1.16 0.00 0.00 32.46 29.48 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 -1.82 -1.40 3.60 -0.13 0.00 -1.25 -4.99 105.19 99.20 1x05 n GLY 16 Ca 0.43 -1.58 -0.28 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.58 1.10 0.21 1.61 0.11 -1.26 -4.99 120.40 116.61 1x05 s VAL 17 Ca 0.00 -2.00 0.04 0.00 -2.93 0.00 0.00 61.98 57.09 1x05 s VAL 17 Cb 0.00 -2.46 -0.03 0.00 -1.53 0.00 0.00 36.38 32.35 1x05 s VAL 17 CO 0.00 0.00 0.32 -0.63 -3.33 0.00 0.00 175.10 171.46 1x05 s ILE 18 N -3.04 5.20 0.00 7.04 1.01 -1.26 -3.08 121.20 127.06 1x05 s ILE 18 Ca 0.22 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1x05 s ILE 18 Cb 0.04 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1x05 s ILE 18 CO 0.11 -0.25 0.00 2.30 0.00 0.00 0.00 174.94 177.10 1x05 n ILE 19 N -1.09 0.00 -3.66 2.92 -0.00 -0.58 -4.91 119.36 112.05 1x05 n ILE 19 Ca -0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 62.75 62.59 1x05 n ILE 19 Cb 0.56 -0.57 -0.08 0.00 -0.00 0.00 0.00 39.64 39.56 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 -1.88 0.59 0.06 6.28 2.20 -1.25 -5.06 119.74 120.68 1x05 s LYS 20 Ca 0.00 1.13 -0.09 0.00 -0.36 0.00 0.00 55.97 56.65 1x05 s LYS 20 Cb 0.00 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.51 1x05 s LYS 20 CO 0.00 -0.16 0.19 1.14 -0.36 0.00 0.00 175.35 176.15 1x05 s GLN 21 N 1.77 0.75 0.00 4.03 0.00 -1.26 -1.81 119.66 123.14 1x05 s GLN 21 Ca -0.09 -0.77 0.00 0.00 -0.00 0.00 0.00 55.36 54.50 1x05 s GLN 21 Cb -0.07 0.31 0.00 0.00 0.00 0.00 0.00 33.01 33.25 1x05 s GLN 21 CO -0.18 -0.22 0.00 0.41 0.00 0.00 0.00 175.29 175.30 1x05 n GLY 22 N 0.40 -0.72 3.67 2.60 0.00 -0.36 -4.99 105.19 105.78 1x05 n GLY 22 Ca -0.17 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.40 1.80 -0.55 0.00 1.43 0.52 -4.87 118.68 115.60 1x05 s LEU 24 Ca 0.18 -0.76 -0.14 0.00 -1.03 0.00 0.00 54.13 52.39 1x05 s LEU 24 Cb -0.11 0.73 0.14 0.00 0.03 0.00 0.00 46.19 46.97 1x05 s LEU 24 CO 0.08 -0.67 0.48 -0.76 0.23 0.00 0.00 176.35 175.72 1x05 s LEU 25 N -2.82 6.09 -0.16 1.79 2.01 -1.25 0.89 118.68 125.23 1x05 s LEU 25 Ca 0.05 -1.94 -0.18 0.00 0.01 0.00 0.00 54.13 52.07 1x05 s LEU 25 Cb 0.05 -2.15 -0.04 0.00 0.01 0.00 0.00 46.19 44.07 1x05 s LEU 25 CO -0.10 -0.78 0.50 -0.75 1.01 0.00 0.00 176.35 176.24 1x05 s LYS 26 N 1.36 4.26 0.58 1.70 2.20 -1.19 -2.75 119.74 125.89 1x05 s LYS 26 Ca 0.06 0.44 -0.01 0.00 -0.36 0.00 0.00 55.97 56.10 1x05 s LYS 26 Cb -0.27 -3.51 0.04 0.00 -1.51 0.00 0.00 37.83 32.58 1x05 s LYS 26 CO 0.01 -0.02 0.82 -0.65 -0.36 0.00 0.00 175.35 175.15 1x05 s GLN 27 N 1.20 2.52 0.21 4.03 -0.21 -1.05 -3.98 119.66 122.38 1x05 s GLN 27 Ca 0.25 -0.63 0.00 0.00 0.02 0.00 0.00 55.36 55.00 1x05 s GLN 27 Cb -0.15 -2.42 0.00 0.00 1.00 0.00 0.00 33.01 31.44 1x05 s GLN 27 CO 0.10 -0.79 0.00 0.41 -2.12 0.00 0.00 175.29 172.89 1x05 n GLY 28 N -2.45 -1.06 2.37 3.09 0.00 -1.26 -4.76 105.19 101.12 1x05 n GLY 28 Ca 0.07 0.18 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 1x05 n GLY 28 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1x05 n HIS 29 N -2.96 -3.36 0.14 1.61 -0.00 -1.26 -4.95 115.22 104.44 1x05 n HIS 29 Ca 0.00 -0.61 -0.24 0.00 -0.00 0.00 0.00 57.72 56.86 1x05 n HIS 29 Cb 0.00 -0.93 -0.16 0.00 -0.00 0.00 0.00 29.99 28.90 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 0.00 0.52 -0.00 -0.41 2.47 -2.00 -3.43 114.38 111.53 1x05 h ARG 30 Ca -0.29 -0.89 -0.17 0.00 -1.26 0.00 0.00 59.98 57.36 1x05 h ARG 30 Cb 0.99 0.33 -0.14 0.00 -1.65 0.00 0.00 29.97 29.51 1x05 h ARG 30 CO 0.18 1.43 -0.34 -2.13 0.56 0.00 0.00 179.97 179.67 1x05 n ARG 31 N -3.70 0.55 -4.28 0.04 0.63 -1.26 -5.15 116.66 103.49 1x05 n ARG 31 Ca -0.18 -1.37 -0.15 0.00 -0.92 0.00 0.00 57.85 55.23 1x05 n ARG 31 Cb 1.10 -1.04 -0.10 0.00 0.45 0.00 0.00 32.46 32.87 1x05 n ARG 31 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1x05 s LYS 32 N 0.50 1.17 0.85 -0.14 -0.14 -1.26 -5.12 119.74 115.58 1x05 s LYS 32 Ca 0.30 -1.54 -0.16 0.00 -1.36 0.00 0.00 55.97 53.21 1x05 s LYS 32 Cb 0.22 -0.62 -0.10 0.00 -1.68 0.00 0.00 37.83 35.65 1x05 s LYS 32 CO -0.19 0.01 -0.22 0.09 -0.76 0.00 0.00 175.35 174.28 1x05 n ASN 33 N -0.28 -4.01 -4.69 2.83 3.02 -1.26 -4.91 115.26 105.96 1x05 n ASN 33 Ca -0.08 0.37 -0.25 0.00 -0.03 0.00 0.00 54.58 54.60 1x05 n ASN 33 Cb 0.62 -0.94 0.10 0.00 -0.61 0.00 0.00 39.78 38.95 1x05 n ASN 33 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1x05 s TRP 34 N -2.05 2.05 -0.10 3.10 0.52 -1.26 -4.94 118.94 116.26 1x05 s TRP 34 Ca 0.51 -0.00 -0.03 0.00 0.02 0.00 0.00 56.10 56.59 1x05 s TRP 34 Cb -0.28 -3.16 0.05 0.00 -1.15 0.00 0.00 33.47 28.93 1x05 s TRP 34 CO 0.72 -1.66 0.10 0.15 0.02 0.00 0.00 176.95 176.29 1x05 s LYS 35 N -5.21 0.01 0.40 4.98 1.02 -1.26 -5.05 119.74 114.63 1x05 s LYS 35 Ca 0.65 0.27 -0.26 0.00 0.02 0.00 0.00 55.97 56.64 1x05 s LYS 35 Cb -0.07 -0.91 -0.11 0.00 -0.52 0.00 0.00 37.83 36.23 1x05 s LYS 35 CO 0.45 -0.45 1.31 0.28 -0.92 0.00 0.00 175.35 176.02 1x05 n VAL 36 N 5.30 2.35 -3.67 3.17 0.31 -1.26 -3.16 118.33 121.38 1x05 n VAL 36 Ca -0.05 -0.50 -0.15 0.00 -0.01 0.00 0.00 64.34 63.64 1x05 n VAL 36 Cb 0.50 -1.63 -0.08 0.00 -0.91 0.00 0.00 33.84 31.71 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 -2.12 0.74 0.12 5.55 0.52 0.26 -4.59 118.95 119.43 1x05 s ARG 37 Ca 0.58 0.38 -0.29 0.00 -0.52 0.00 0.00 55.73 55.88 1x05 s ARG 37 Cb -0.52 0.35 -0.06 0.00 0.52 0.00 0.00 34.95 35.24 1x05 s ARG 37 CO 0.60 -0.17 0.94 0.21 0.02 0.00 0.00 175.30 176.90 1x05 s LYS 38 N -0.50 4.69 -0.10 3.54 2.20 -0.10 0.19 119.74 129.67 1x05 s LYS 38 Ca -0.06 1.42 -0.00 0.00 -0.36 0.00 0.00 55.97 56.96 1x05 s LYS 38 Cb -0.03 -3.37 0.02 0.00 -1.51 0.00 0.00 37.83 32.95 1x05 s LYS 38 CO 0.04 0.25 -0.06 -0.06 -0.36 0.00 0.00 175.35 175.16 1x05 s PHE 39 N -0.12 1.33 -0.15 4.03 0.40 0.26 -0.39 117.98 123.32 1x05 s PHE 39 Ca 0.45 -0.62 -0.02 0.00 -0.60 0.00 0.00 56.93 56.14 1x05 s PHE 39 Cb -0.23 -1.14 -0.02 0.00 0.51 0.00 0.00 43.02 42.13 1x05 s PHE 39 CO 0.29 -0.47 -0.08 0.42 0.70 0.00 0.00 175.22 176.09 1x05 s ILE 40 N 1.70 3.49 -0.12 0.64 1.01 0.49 -1.22 121.20 127.19 1x05 s ILE 40 Ca 0.04 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 1x05 s ILE 40 Cb -0.13 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 1x05 s ILE 40 CO -0.07 0.50 -0.05 -0.22 0.00 0.00 0.00 174.94 175.09 1x05 s LEU 41 N 0.50 3.20 -0.03 2.97 2.96 -0.75 0.19 118.68 127.73 1x05 s LEU 41 Ca -0.06 -0.10 -0.00 0.00 -0.22 0.00 0.00 54.13 53.75 1x05 s LEU 41 Cb -0.15 -1.74 0.03 0.00 0.50 0.00 0.00 46.19 44.83 1x05 s LEU 41 CO 0.03 0.24 0.02 0.00 -1.32 0.00 0.00 176.35 175.33 1x05 s ARG 42 N -0.06 0.12 -0.12 1.98 1.70 -0.60 -1.53 118.95 120.43 1x05 s ARG 42 Ca 0.01 0.18 -0.06 0.00 -0.47 0.00 0.00 55.73 55.38 1x05 s ARG 42 Cb -0.13 -0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 33.78 1x05 s ARG 42 CO 0.03 -0.19 0.11 -1.83 -1.08 0.00 0.00 175.30 172.34 1x05 s GLU 43 N 1.31 3.46 -0.54 3.89 4.04 -1.18 -0.84 118.70 128.84 1x05 s GLU 43 Ca -0.06 -0.19 -0.12 0.00 0.04 0.00 0.00 54.97 54.64 1x05 s GLU 43 Cb -0.13 -3.15 0.02 0.00 0.02 0.00 0.00 34.13 30.89 1x05 s GLU 43 CO -0.03 0.70 0.64 -3.47 -1.84 0.00 0.00 175.26 171.26 1x05 n ASP 44 N 2.21 -7.62 -4.80 0.83 2.03 -1.26 -4.18 116.55 103.77 1x05 n ASP 44 Ca -0.19 0.24 -0.29 0.00 0.52 0.00 0.00 54.79 55.06 1x05 n ASP 44 Cb 0.54 -4.96 0.11 0.00 -0.72 0.00 0.00 41.12 36.09 1x05 n ASP 44 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1x05 s PRO 45 N -2.81 1.74 -0.68 -0.67 0.04 -1.26 -3.97 135.00 127.38 1x05 s PRO 45 Ca 0.17 0.51 -0.17 0.00 0.04 0.00 0.00 61.00 61.55 1x05 s PRO 45 Cb -0.04 -1.89 0.15 0.00 0.04 0.00 0.00 34.50 32.75 1x05 s PRO 45 CO 0.78 -1.83 0.71 0.00 0.04 0.00 0.00 177.00 176.70 1x05 s ALA 46 N -3.20 3.66 0.01 8.56 0.00 -1.24 -4.67 121.76 124.88 1x05 s ALA 46 Ca 0.62 -2.68 -0.09 0.00 0.00 0.00 0.00 51.96 49.81 1x05 s ALA 46 Cb -0.14 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.47 1x05 s ALA 46 CO 0.54 -2.31 0.19 0.71 0.00 0.00 0.00 175.76 174.89 1x05 s TYR 47 N 1.69 0.00 -0.27 0.00 2.02 -0.02 -2.86 117.35 117.90 1x05 s TYR 47 Ca 0.13 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.75 1x05 s TYR 47 Cb -0.20 -0.01 0.05 0.00 -0.40 0.00 0.00 41.96 41.40 1x05 s TYR 47 CO -0.01 -0.35 -0.07 -1.17 -1.57 0.00 0.00 175.55 172.39 1x05 s LEU 48 N -1.56 3.51 -0.20 -1.29 1.98 -1.04 -1.56 118.68 118.52 1x05 s LEU 48 Ca -0.12 -1.23 -0.06 0.00 -2.89 0.00 0.00 54.13 49.83 1x05 s LEU 48 Cb -0.05 -1.63 -0.03 0.00 0.66 0.00 0.00 46.19 45.14 1x05 s LEU 48 CO 0.01 -0.20 0.02 -1.00 -1.89 0.00 0.00 176.35 173.29 1x05 s HIS 49 N 1.20 3.07 -0.12 5.38 3.76 0.13 -1.55 115.29 127.17 1x05 s HIS 49 Ca -0.05 -0.37 0.03 0.00 -0.15 0.00 0.00 55.06 54.52 1x05 s HIS 49 Cb -0.19 -2.10 0.00 0.00 1.11 0.00 0.00 32.58 31.41 1x05 s HIS 49 CO -0.04 -0.19 -0.23 1.52 -0.85 0.00 0.00 174.74 174.95 1x05 s TYR 50 N 0.96 2.61 0.21 1.40 -0.85 -1.26 0.19 117.35 120.60 1x05 s TYR 50 Ca 0.02 -1.15 0.07 0.00 -0.52 0.00 0.00 57.07 55.49 1x05 s TYR 50 Cb -0.14 -1.75 -0.04 0.00 0.38 0.00 0.00 41.96 40.40 1x05 s TYR 50 CO 0.02 -0.49 0.05 0.71 -1.52 0.00 0.00 175.55 174.32 1x05 s TYR 51 N 0.53 2.90 0.36 -3.49 1.51 0.47 -2.98 117.35 116.65 1x05 s TYR 51 Ca -0.14 -0.13 -0.27 0.00 -1.01 0.00 0.00 57.07 55.51 1x05 s TYR 51 Cb -0.17 -1.36 -0.09 0.00 -0.11 0.00 0.00 41.96 40.23 1x05 s TYR 51 CO 0.05 0.54 1.23 0.34 -1.11 0.00 0.00 175.55 176.60 1x05 s ASP 52 N -3.27 6.68 -0.08 2.29 -1.08 -1.26 -0.92 116.67 119.02 1x05 s ASP 52 Ca 0.30 2.50 -0.27 0.00 -0.52 0.00 0.00 52.55 54.56 1x05 s ASP 52 Cb -0.09 -2.63 -0.23 0.00 -1.46 0.00 0.00 42.92 38.52 1x05 s ASP 52 CO 0.21 -0.58 0.99 1.55 0.52 0.00 0.00 175.17 177.86 1x05 h PRO 53 N 3.06 -0.01 -1.56 4.34 0.13 -1.93 -3.20 132.00 132.83 1x05 h PRO 53 Ca -0.49 0.00 0.50 0.00 -0.87 0.00 0.00 66.00 65.14 1x05 h PRO 53 Cb 1.23 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.25 1x05 h PRO 53 CO 0.64 0.72 1.06 0.00 -0.23 0.00 0.00 178.00 180.19 1x05 h ALA 54 N 0.21 3.16 0.00 -0.56 0.00 -1.93 -3.44 119.26 116.70 1x05 h ALA 54 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1x05 h ALA 54 Cb 0.74 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1x05 h ALA 54 CO 0.00 -1.80 0.00 0.41 0.00 0.00 0.00 179.25 177.87 1x05 n GLY 55 N -1.66 4.25 0.00 0.00 0.00 -1.21 -5.19 105.19 101.39 1x05 n GLY 55 Ca 0.41 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.84 0.00 0.02 4.61 0.00 -1.26 -4.65 120.51 117.38 1x05 n ALA 56 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1x05 n ALA 56 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.75 0.10 -2.62 0.00 2.13 -1.26 -5.01 120.64 113.23 1x05 n GLU 57 Ca 0.00 0.04 -0.31 0.00 0.66 0.00 0.00 57.16 57.55 1x05 n GLU 57 Cb 0.00 -0.61 -0.03 0.00 0.27 0.00 0.00 31.44 31.07 1x05 n GLU 57 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1x05 s ASP 58 N -5.81 6.56 0.37 4.31 1.01 -1.26 -5.04 116.67 116.81 1x05 s ASP 58 Ca -0.05 1.34 -0.26 0.00 0.71 0.00 0.00 52.55 54.29 1x05 s ASP 58 Cb 0.01 -2.41 -0.09 0.00 1.01 0.00 0.00 42.92 41.44 1x05 s ASP 58 CO 0.08 -0.50 1.06 -2.16 0.21 0.00 0.00 175.17 173.86 1x05 s PRO 59 N -3.98 4.29 0.25 8.23 0.04 -1.26 -4.86 135.00 137.71 1x05 s PRO 59 Ca 0.55 1.59 -0.04 0.00 0.04 0.00 0.00 61.00 63.14 1x05 s PRO 59 Cb -0.10 -2.72 0.38 0.00 0.04 0.00 0.00 34.50 32.10 1x05 s PRO 59 CO 0.32 -0.04 1.82 -0.07 0.04 0.00 0.00 177.00 179.07 1x05 h LEU 60 N 2.87 0.74 0.00 -3.56 -0.00 -1.93 -3.47 115.31 109.96 1x05 h LEU 60 Ca -0.48 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.44 1x05 h LEU 60 Cb 1.21 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 1x05 h LEU 60 CO 0.64 0.44 0.00 0.61 -0.00 0.00 0.00 178.44 180.12 1x05 n GLY 61 N -1.32 1.37 3.17 0.83 0.00 -1.26 -5.10 105.19 102.88 1x05 n GLY 61 Ca 0.13 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.78 -0.23 4.61 0.00 -1.26 -4.34 121.76 118.76 1x05 s ALA 62 Ca 0.00 1.09 -0.10 0.00 0.00 0.00 0.00 51.96 52.95 1x05 s ALA 62 Cb 0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 1x05 s ALA 62 CO 0.00 -0.19 0.14 0.42 0.00 0.00 0.00 175.76 176.13 1x05 s ILE 63 N 0.83 5.26 -0.07 0.00 1.01 -0.59 -4.95 121.20 122.69 1x05 s ILE 63 Ca -0.05 0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.44 1x05 s ILE 63 Cb -0.06 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 1x05 s ILE 63 CO -0.06 0.37 1.67 -2.28 0.00 0.00 0.00 174.94 174.64 1x05 s HIS 64 N 0.91 1.96 -0.22 3.97 5.65 -1.26 -2.50 115.29 123.79 1x05 s HIS 64 Ca 0.07 0.21 0.08 0.00 0.25 0.00 0.00 55.06 55.67 1x05 s HIS 64 Cb -0.13 -3.93 -0.10 0.00 -1.18 0.00 0.00 32.58 27.24 1x05 s HIS 64 CO 0.03 -3.83 0.27 1.28 -0.65 0.00 0.00 174.74 171.84 1x05 n LEU 65 N 7.33 0.22 -0.05 8.88 4.77 -1.14 -4.32 117.00 132.68 1x05 n LEU 65 Ca 0.18 -0.29 -0.01 0.00 -0.03 0.00 0.00 56.01 55.85 1x05 n LEU 65 Cb 0.43 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.51 1x05 n LEU 65 CO 0.63 0.05 0.46 -1.14 -1.33 0.00 0.00 177.39 176.06 1x05 n ARG 66 N -1.43 -0.06 -2.13 3.23 0.63 -1.20 -2.36 116.66 113.34 1x05 n ARG 66 Ca 0.00 0.99 -0.26 0.00 -0.92 0.00 0.00 57.85 57.66 1x05 n ARG 66 Cb 0.16 -1.49 0.02 0.00 0.45 0.00 0.00 32.46 31.60 1x05 n ARG 66 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1x05 n GLY 67 N -1.03 6.21 1.62 5.14 0.00 -1.26 -4.73 105.19 111.13 1x05 n GLY 67 Ca 0.00 -2.68 -0.12 0.00 0.00 0.00 0.00 46.02 43.23 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 -2.06 0.09 -0.05 0.00 1.01 0.57 -4.90 120.40 115.06 1x05 s VAL 69 Ca 0.31 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1x05 s VAL 69 Cb -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 1x05 s VAL 69 CO 0.22 -0.32 -0.13 -0.69 0.00 0.00 0.00 175.10 174.17 1x05 s VAL 70 N -0.95 3.14 0.28 2.92 1.01 -1.26 -0.92 120.40 124.61 1x05 s VAL 70 Ca -0.10 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 1x05 s VAL 70 Cb -0.07 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 34.09 1x05 s VAL 70 CO -0.01 0.59 0.66 0.28 0.00 0.00 0.00 175.10 176.62 1x05 s THR 71 N -0.75 0.00 0.20 3.92 -1.32 -0.17 -4.96 115.64 112.56 1x05 s THR 71 Ca 0.12 -1.11 0.09 0.00 -1.21 0.00 0.00 61.69 59.57 1x05 s THR 71 Cb -0.11 -2.09 -0.04 0.00 -1.51 0.00 0.00 72.50 68.75 1x05 s THR 71 CO 0.01 0.00 -0.05 -0.44 -2.21 0.00 0.00 174.62 171.93 1x05 s SER 72 N -2.95 4.45 0.98 8.08 0.01 -1.26 -1.75 113.70 121.26 1x05 s SER 72 Ca 0.14 -0.55 -0.16 0.00 1.31 0.00 0.00 55.95 56.70 1x05 s SER 72 Cb -0.05 -0.83 0.22 0.00 0.21 0.00 0.00 66.02 65.58 1x05 s SER 72 CO 0.08 0.08 1.33 0.68 0.41 0.00 0.00 173.24 175.82 1x05 s VAL 73 N -1.86 2.00 -0.15 3.43 -7.23 -1.25 -4.52 120.40 110.82 1x05 s VAL 73 Ca 0.27 -0.04 0.08 0.00 -1.81 0.00 0.00 61.98 60.48 1x05 s VAL 73 Cb -0.08 -2.96 -0.14 0.00 0.56 0.00 0.00 36.38 33.75 1x05 s VAL 73 CO 0.17 0.00 -0.04 -1.84 -0.31 0.00 0.00 175.10 173.09 1x05 n GLU 74 N -3.80 1.24 -3.21 4.82 0.28 -1.26 -5.00 120.64 113.70 1x05 n GLU 74 Ca 0.17 0.04 -0.04 0.00 -0.16 0.00 0.00 57.16 57.16 1x05 n GLU 74 Cb 0.59 -1.35 0.00 0.00 1.43 0.00 0.00 31.44 32.12 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 -2.71 -6.50 -0.05 -1.84 3.41 -1.26 -4.82 113.62 99.84 1x05 n SER 75 Ca -0.26 0.38 -0.03 0.00 -0.26 0.00 0.00 58.87 58.70 1x05 n SER 75 Cb 0.89 -1.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.09 1x05 n SER 75 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1x05 h ASN 76 N 3.40 -0.50 -2.83 4.04 2.35 -1.97 -3.40 115.58 116.67 1x05 h ASN 76 Ca -0.06 0.07 -0.59 0.00 -0.55 0.00 0.00 56.30 55.17 1x05 h ASN 76 Cb 1.01 0.21 0.14 0.00 0.05 0.00 0.00 38.32 39.73 1x05 h ASN 76 CO 0.03 -0.09 -0.09 -1.20 -1.65 0.00 0.00 177.43 174.42 1x05 n SER 77 N -3.44 0.23 -3.44 5.81 7.64 -1.26 -4.99 113.62 114.17 1x05 n SER 77 Ca -0.01 0.94 0.01 0.00 1.01 0.00 0.00 58.87 60.83 1x05 n SER 77 Cb 0.08 -1.25 -0.03 0.00 -1.01 0.00 0.00 64.21 61.99 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 -0.91 -0.85 -1.25 6.43 3.84 -1.26 -4.97 114.94 115.97 1x05 s ASN 78 Ca 0.65 1.02 -0.22 0.00 0.21 0.00 0.00 52.86 54.53 1x05 s ASN 78 Cb -0.55 1.91 0.02 0.00 -0.55 0.00 0.00 41.25 42.07 1x05 s ASN 78 CO 0.56 -0.16 0.61 0.61 -2.79 0.00 0.00 177.10 175.93 1x05 n GLY 79 N 5.23 -0.73 2.02 1.21 0.00 -1.26 -4.82 105.19 106.84 1x05 n GLY 79 Ca -0.09 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.64 0.00 -4.09 1.61 5.12 -1.26 -5.16 116.66 108.24 1x05 n ARG 80 Ca -0.16 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.62 1x05 n ARG 80 Cb 0.60 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.86 1x05 n ARG 80 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 1x05 s LYS 81 N -1.70 1.87 -0.25 5.56 -2.85 -1.26 -5.13 119.74 115.98 1x05 s LYS 81 Ca 0.00 -1.73 -0.25 0.00 -1.00 0.00 0.00 55.97 53.00 1x05 s LYS 81 Cb 0.00 0.44 -0.00 0.00 -2.06 0.00 0.00 37.83 36.21 1x05 s LYS 81 CO 0.00 -0.77 0.84 -1.12 0.10 0.00 0.00 175.35 174.40 1x05 s SER 82 N -3.22 6.83 0.23 0.03 0.01 -1.26 -4.77 113.70 111.55 1x05 s SER 82 Ca 0.30 1.01 0.00 0.00 1.31 0.00 0.00 55.95 58.58 1x05 s SER 82 Cb -0.00 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1x05 s SER 82 CO 0.19 -0.55 0.00 1.21 0.41 0.00 0.00 173.24 174.51 1x05 n GLU 83 N 6.07 0.00 -3.73 12.44 4.07 -1.26 -5.12 120.64 133.11 1x05 n GLU 83 Ca 0.06 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 57.02 1x05 n GLU 83 Cb 0.47 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.71 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 -1.64 0.11 0.00 5.31 2.02 -1.26 -5.15 118.70 118.09 1x05 s GLU 84 Ca 0.00 0.45 0.00 0.00 0.02 0.00 0.00 54.97 55.44 1x05 s GLU 84 Cb 0.00 -0.17 0.00 0.00 0.10 0.00 0.00 34.13 34.06 1x05 s GLU 84 CO 0.00 -0.19 0.00 0.39 0.02 0.00 0.00 175.26 175.48 1x05 n GLU 85 N 4.40 3.19 -2.85 1.61 1.02 -1.26 -4.94 120.64 121.81 1x05 n GLU 85 Ca -0.23 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.49 1x05 n GLU 85 Cb 0.52 0.00 -0.04 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 -1.21 6.81 0.40 1.62 0.01 -1.26 -4.98 114.94 116.34 1x05 s ASN 86 Ca 0.00 0.93 0.04 0.00 -0.71 0.00 0.00 52.86 53.12 1x05 s ASN 86 Cb 0.00 -2.45 -0.02 0.00 0.41 0.00 0.00 41.25 39.18 1x05 s ASN 86 CO 0.00 -0.63 0.16 -1.48 -1.51 0.00 0.00 177.10 173.64 1x05 s LEU 87 N 3.06 1.94 -0.09 0.60 2.34 -1.26 0.17 118.68 125.44 1x05 s LEU 87 Ca 0.37 -1.70 -0.30 0.00 0.06 0.00 0.00 54.13 52.55 1x05 s LEU 87 Cb -0.14 0.02 0.10 0.00 -0.56 0.00 0.00 46.19 45.61 1x05 s LEU 87 CO 0.10 -0.97 0.82 0.72 -1.06 0.00 0.00 176.35 175.97 1x05 s PHE 88 N -3.25 -0.52 -0.06 3.48 -0.12 -1.06 -3.95 117.98 112.50 1x05 s PHE 88 Ca 0.26 0.85 -0.04 0.00 -0.05 0.00 0.00 56.93 57.95 1x05 s PHE 88 Cb 0.02 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 1x05 s PHE 88 CO 0.17 -0.50 0.12 -2.00 -0.05 0.00 0.00 175.22 172.96 1x05 s GLU 89 N -1.33 3.31 -0.22 1.99 2.12 -0.71 -3.06 118.70 120.80 1x05 s GLU 89 Ca -0.06 -0.29 -0.03 0.00 0.36 0.00 0.00 54.97 54.95 1x05 s GLU 89 Cb -0.00 -3.05 0.07 0.00 0.26 0.00 0.00 34.13 31.41 1x05 s GLU 89 CO 0.05 0.71 0.06 0.42 -0.54 0.00 0.00 175.26 175.96 1x05 s ILE 90 N -1.13 0.46 0.18 -3.70 1.01 -1.07 -1.00 121.20 115.95 1x05 s ILE 90 Ca 0.20 -0.66 -0.19 0.00 0.00 0.00 0.00 60.65 60.00 1x05 s ILE 90 Cb -0.12 -1.08 -0.08 0.00 0.01 0.00 0.00 42.46 41.20 1x05 s ILE 90 CO 0.10 -0.33 0.67 -0.63 0.00 0.00 0.00 174.94 174.75 1x05 s ILE 91 N 1.87 4.63 0.48 2.92 1.01 -0.10 -2.96 121.20 129.05 1x05 s ILE 91 Ca 0.02 1.23 0.07 0.00 0.00 0.00 0.00 60.65 61.96 1x05 s ILE 91 Cb -0.17 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.44 1x05 s ILE 91 CO -0.13 0.29 0.40 0.42 0.00 0.00 0.00 174.94 175.93 1x05 s THR 92 N -1.42 2.17 0.40 2.92 -4.23 -0.45 0.21 115.64 115.24 1x05 s THR 92 Ca 0.39 -1.41 0.36 0.00 -1.18 0.00 0.00 61.69 59.86 1x05 s THR 92 Cb -0.17 -2.58 0.36 0.00 1.34 0.00 0.00 72.50 71.45 1x05 s THR 92 CO 0.21 0.00 2.11 0.00 -0.54 0.00 0.00 174.62 176.39 1x05 h ALA 93 N 0.88 1.03 -0.01 3.99 0.00 -1.75 1.09 119.26 124.49 1x05 h ALA 93 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1x05 h ALA 93 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1x05 h ALA 93 CO 0.57 -0.03 -0.17 -3.47 0.00 0.00 0.00 179.25 176.15 1x05 n ASP 94 N -2.80 1.62 0.00 0.00 2.03 -1.26 -4.91 116.55 111.24 1x05 n ASP 94 Ca -0.02 -1.35 0.00 0.00 0.52 0.00 0.00 54.79 53.94 1x05 n ASP 94 Cb 0.09 0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 1x05 n ASP 94 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1x05 n GLU 95 N 0.00 0.00 -1.95 -0.67 1.02 0.38 -4.99 120.64 114.44 1x05 n GLU 95 Ca 0.14 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.86 1x05 n GLU 95 Cb 0.40 -2.63 -0.03 0.00 -0.02 0.00 0.00 31.44 29.16 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 -3.14 2.61 -0.01 2.62 1.01 -1.26 -4.58 120.40 117.66 1x05 s VAL 96 Ca 0.00 0.46 -0.01 0.00 0.00 0.00 0.00 61.98 62.43 1x05 s VAL 96 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1x05 s VAL 96 CO 0.00 0.05 0.08 -1.00 0.00 0.00 0.00 175.10 174.23 1x05 s HIS 97 N 0.79 3.30 -0.00 5.22 3.76 -1.26 -1.34 115.29 125.75 1x05 s HIS 97 Ca 0.67 0.21 0.01 0.00 -0.15 0.00 0.00 55.06 55.80 1x05 s HIS 97 Cb -0.43 -1.74 -0.00 0.00 1.11 0.00 0.00 32.58 31.51 1x05 s HIS 97 CO 0.35 0.55 -0.04 0.71 -0.85 0.00 0.00 174.74 175.47 1x05 s TYR 98 N -1.20 0.35 -0.30 1.40 2.02 -1.16 -4.96 117.35 113.51 1x05 s TYR 98 Ca 0.23 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.84 1x05 s TYR 98 Cb -0.12 -0.22 0.06 0.00 -0.40 0.00 0.00 41.96 41.28 1x05 s TYR 98 CO 0.14 -0.01 -0.01 -0.06 -1.57 0.00 0.00 175.55 174.03 1x05 s PHE 99 N -0.16 3.34 -0.13 2.71 0.08 -1.26 -2.60 117.98 119.96 1x05 s PHE 99 Ca 0.01 -2.16 0.02 0.00 0.12 0.00 0.00 56.93 54.92 1x05 s PHE 99 Cb -0.02 -2.21 -0.00 0.00 -0.57 0.00 0.00 43.02 40.21 1x05 s PHE 99 CO -0.00 -0.85 -0.18 -0.51 -0.10 0.00 0.00 175.22 173.57 1x05 s LEU 100 N 1.17 2.37 -0.19 -0.37 2.01 -1.17 -2.53 118.68 119.96 1x05 s LEU 100 Ca -0.04 -0.48 -0.17 0.00 0.01 0.00 0.00 54.13 53.45 1x05 s LEU 100 Cb -0.20 -1.51 -0.04 0.00 0.01 0.00 0.00 46.19 44.45 1x05 s LEU 100 CO -0.03 0.12 0.44 -1.58 1.01 0.00 0.00 176.35 176.31 1x05 s GLN 101 N 0.57 4.19 0.08 1.70 0.74 -1.11 -2.56 119.66 123.28 1x05 s GLN 101 Ca -0.11 0.28 -0.19 0.00 0.05 0.00 0.00 55.36 55.40 1x05 s GLN 101 Cb -0.16 -3.54 -0.07 0.00 1.10 0.00 0.00 33.01 30.34 1x05 s GLN 101 CO 0.04 -0.06 0.57 0.00 -0.55 0.00 0.00 175.29 175.29 1x05 s ALA 102 N 1.36 3.59 0.03 1.58 0.00 0.45 -3.75 121.76 125.02 1x05 s ALA 102 Ca 0.21 0.02 -0.21 0.00 0.00 0.00 0.00 51.96 51.98 1x05 s ALA 102 Cb -0.15 -2.63 -0.12 0.00 0.00 0.00 0.00 23.12 20.23 1x05 s ALA 102 CO 0.09 0.40 1.23 0.00 0.00 0.00 0.00 175.76 177.48 1x05 h ALA 103 N 4.45 -1.12 -2.03 0.00 0.00 -1.89 -3.36 119.26 115.31 1x05 h ALA 103 Ca -0.50 -0.17 -0.46 0.00 0.00 0.00 0.00 54.91 53.79 1x05 h ALA 103 Cb 1.21 0.30 0.03 0.00 0.00 0.00 0.00 17.79 19.33 1x05 h ALA 103 CO 0.64 -1.06 -0.08 0.95 0.00 0.00 0.00 179.25 179.69 1x05 s THR 104 N -4.52 3.75 -0.44 0.00 -4.23 -1.26 -4.84 115.64 104.09 1x05 s THR 104 Ca -0.11 -0.52 0.26 0.00 -1.18 0.00 0.00 61.69 60.14 1x05 s THR 104 Cb 0.01 -3.39 0.30 0.00 1.34 0.00 0.00 72.50 70.77 1x05 s THR 104 CO 0.34 -0.28 1.77 1.55 -0.54 0.00 0.00 174.62 177.46 1x05 h PRO 105 N 0.33 0.00 0.21 3.99 0.13 -1.97 -2.98 132.00 131.71 1x05 h PRO 105 Ca -0.45 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.36 1x05 h PRO 105 Cb 1.26 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.41 1x05 h PRO 105 CO 0.56 0.00 -1.47 -0.22 -0.23 0.00 0.00 178.00 176.64 1x05 h LYS 106 N 0.00 0.44 -0.59 0.86 3.64 -1.97 -3.31 116.57 115.64 1x05 h LYS 106 Ca 0.00 -0.76 0.01 0.00 -1.27 0.00 0.00 60.65 58.64 1x05 h LYS 106 Cb 0.63 0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 1x05 h LYS 106 CO 0.00 1.36 0.38 1.49 -2.27 0.00 0.00 179.45 180.41 1x05 h GLU 107 N 0.02 0.74 -0.66 1.90 4.81 -1.94 0.49 114.58 119.95 1x05 h GLU 107 Ca -0.27 -0.04 0.14 0.00 -0.13 0.00 0.00 59.36 59.05 1x05 h GLU 107 Cb 2.05 -0.17 -0.11 0.00 0.63 0.00 0.00 28.75 31.15 1x05 h GLU 107 CO 0.21 0.49 0.06 -0.09 -0.73 0.00 0.00 179.01 178.95 1x05 h ARG 108 N 0.77 0.16 0.03 1.92 1.12 -1.63 0.91 114.38 117.65 1x05 h ARG 108 Ca 0.22 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 59.08 1x05 h ARG 108 Cb -0.05 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 29.88 1x05 h ARG 108 CO -0.07 0.11 -0.01 1.15 -3.11 0.00 0.00 179.97 178.04 1x05 h THR 109 N 0.16 1.44 -0.33 0.20 2.02 -1.50 -3.17 112.91 111.73 1x05 h THR 109 Ca 0.35 -1.69 0.07 0.00 0.77 0.00 0.00 66.41 65.92 1x05 h THR 109 Cb 0.58 2.54 -0.08 0.00 -1.74 0.00 0.00 68.15 69.45 1x05 h THR 109 CO -0.53 0.42 -0.32 -0.33 0.37 0.00 0.00 175.52 175.13 1x05 h GLU 110 N -0.80 -0.28 -0.53 6.66 5.08 0.55 -1.28 114.58 123.99 1x05 h GLU 110 Ca -0.00 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1x05 h GLU 110 Cb 0.71 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.94 1x05 h GLU 110 CO 0.01 -0.18 -0.48 -1.49 -1.00 0.00 0.00 179.01 175.86 1x05 h TRP 111 N -0.29 -1.50 -0.37 4.33 -0.00 0.72 1.66 115.95 120.51 1x05 h TRP 111 Ca 0.15 0.08 0.04 0.00 -0.00 0.00 0.00 58.89 59.16 1x05 h TRP 111 Cb 0.54 0.72 -0.05 0.00 -0.00 0.00 0.00 29.16 30.37 1x05 h TRP 111 CO -0.50 -0.38 -0.26 0.82 -0.00 0.00 0.00 178.44 178.12 1x05 h ILE 112 N -0.22 0.00 -0.72 1.49 2.04 -1.26 1.68 117.51 120.54 1x05 h ILE 112 Ca 0.09 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.14 1x05 h ILE 112 Cb 0.45 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 1x05 h ILE 112 CO -0.61 0.00 0.51 0.11 0.00 0.00 0.00 178.15 178.16 1x05 h LYS 113 N -0.05 0.08 0.11 2.37 1.57 -0.11 0.34 116.57 120.87 1x05 h LYS 113 Ca 0.06 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1x05 h LYS 113 Cb 0.21 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1x05 h LYS 113 CO -0.38 0.05 -0.05 0.00 -0.57 0.00 0.00 179.45 178.50 1x05 h ALA 114 N 1.65 -0.15 -0.14 3.86 0.00 1.36 0.12 119.26 125.96 1x05 h ALA 114 Ca 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1x05 h ALA 114 Cb 1.26 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1x05 h ALA 114 CO -0.03 -0.46 0.07 0.82 0.00 0.00 0.00 179.25 179.65 1x05 h ILE 115 N -0.40 1.12 -0.35 0.00 2.04 0.30 -2.72 117.51 117.50 1x05 h ILE 115 Ca -0.02 -0.35 0.07 0.00 1.00 0.00 0.00 64.86 65.56 1x05 h ILE 115 Cb 0.33 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 37.44 1x05 h ILE 115 CO 0.03 0.11 -0.08 1.56 0.00 0.00 0.00 178.15 179.77 1x05 h GLN 116 N 0.11 0.01 -0.70 2.37 4.20 -0.41 0.59 115.11 121.28 1x05 h GLN 116 Ca 0.05 -0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.91 1x05 h GLN 116 Cb 0.12 -0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.78 1x05 h GLN 116 CO -0.01 0.01 0.02 1.98 -0.67 0.00 0.00 178.83 180.16 1x05 h MET 117 N 0.01 0.12 0.45 1.46 1.85 -0.52 1.31 114.93 119.60 1x05 h MET 117 Ca 0.17 -0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.23 1x05 h MET 117 Cb 0.25 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.26 1x05 h MET 117 CO -0.35 0.08 -0.22 0.00 -0.40 0.00 0.00 176.91 176.02 1x05 h ALA 118 N 1.64 -0.60 -0.90 0.39 0.00 -0.97 -0.34 119.26 118.48 1x05 h ALA 118 Ca 0.37 -0.13 0.25 0.00 0.00 0.00 0.00 54.91 55.40 1x05 h ALA 118 Cb 0.64 0.23 -0.15 0.00 0.00 0.00 0.00 17.79 18.51 1x05 h ALA 118 CO -0.59 -0.56 0.26 0.66 0.00 0.00 0.00 179.25 179.01 1x05 h SER 119 N -1.16 0.02 -0.23 0.00 4.64 0.61 0.41 113.55 117.84 1x05 h SER 119 Ca -0.06 0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 1x05 h SER 119 Cb 0.47 0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 1x05 h SER 119 CO 0.10 -0.18 -0.02 0.03 -0.87 0.00 0.00 176.83 175.89 1x05 h ARG 120 N 0.19 0.41 -5.91 4.77 2.47 0.17 -3.44 114.38 113.04 1x05 h ARG 120 Ca 0.58 -0.14 -0.09 0.00 -1.26 0.00 0.00 59.98 59.07 1x05 h ARG 120 Cb 1.21 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 1x05 h ARG 120 CO -0.68 0.62 -0.95 -2.37 0.56 0.00 0.00 179.97 177.15 1x05 n THR 121 N -4.63 -2.21 -2.03 2.04 5.66 0.14 -4.65 114.28 108.60 1x05 n THR 121 Ca -0.04 0.35 -0.31 0.00 -3.05 0.00 0.00 64.05 61.00 1x05 n THR 121 Cb 0.25 -2.81 -0.04 0.00 -1.55 0.00 0.00 70.33 66.18 1x05 n THR 121 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1x05 s GLY 122 N -1.00 0.17 0.04 1.09 0.00 -1.26 -4.50 107.32 101.85 1x05 s GLY 122 Ca 0.09 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.65 1x05 s GLY 122 CO 0.20 3.48 0.00 1.17 0.00 0.00 0.00 173.10 177.95 1x05 n LYS 123 N 8.98 -0.55 -2.48 2.90 3.00 -1.26 -4.91 118.16 123.85 1x05 n LYS 123 Ca 0.33 0.47 -0.42 0.00 -0.00 0.00 0.00 58.31 58.68 1x05 n LYS 123 Cb 0.49 -0.43 -0.03 0.00 0.00 0.00 0.00 35.03 35.06 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 -0.93 7.07 0.75 3.14 0.15 -1.26 -5.03 113.70 117.59 1x05 s SER 124 Ca 0.00 1.80 0.00 0.00 0.70 0.00 0.00 55.95 58.45 1x05 s SER 124 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1x05 s SER 124 CO 0.00 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.49 1x05 n GLY 125 N 3.33 -3.62 3.81 9.45 0.00 -1.26 -4.97 105.19 111.93 1x05 n GLY 125 Ca 0.11 -1.23 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.25 3.15 0.17 1.61 0.04 -1.26 -5.08 135.00 131.38 1x05 s PRO 126 Ca 0.00 1.05 -0.11 0.00 0.04 0.00 0.00 61.00 61.98 1x05 s PRO 126 Cb 0.00 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 1x05 s PRO 126 CO 0.00 -0.94 0.33 0.45 0.04 0.00 0.00 177.00 176.89 1x05 s SER 127 N -3.37 -0.02 -0.03 6.66 0.15 -1.26 -5.03 113.70 110.81 1x05 s SER 127 Ca 0.60 -0.80 -0.00 0.00 0.70 0.00 0.00 55.95 56.45 1x05 s SER 127 Cb -0.15 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1x05 s SER 127 CO 0.47 -0.93 0.01 -1.54 1.20 0.00 0.00 173.24 172.45 1x05 n SER 128 N -0.24 -6.75 0.00 5.45 3.41 -1.26 -5.32 113.62 108.91 1x05 n SER 128 Ca -0.08 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 1x05 n SER 128 Cb 0.63 -1.98 0.00 0.00 -0.26 0.00 0.00 64.21 62.59 1x05 n SER 128 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49