#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 1.75 -1.25 1.61 7.64 -1.26 -5.12 113.62 116.98 1x05 n SER 2 Ca 0.00 0.29 0.15 0.00 1.01 0.00 0.00 58.87 60.32 1x05 n SER 2 Cb 0.00 -0.65 -0.08 0.00 -1.01 0.00 0.00 64.21 62.47 1x05 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x05 n SER 3 N -4.23 -6.92 0.00 6.43 2.88 -1.26 -5.07 113.62 105.45 1x05 n SER 3 Ca -0.14 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 1x05 n SER 3 Cb 0.45 -4.27 0.00 0.00 -0.75 0.00 0.00 64.21 59.64 1x05 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x05 n GLY 4 N -4.04 -0.81 2.51 0.46 0.00 -1.26 -5.12 105.19 96.93 1x05 n GLY 4 Ca -0.07 0.30 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 1x05 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x05 n SER 5 N 0.00 -3.48 0.05 1.61 2.88 -1.26 -5.04 113.62 108.37 1x05 n SER 5 Ca 0.00 1.53 0.00 0.00 -1.33 0.00 0.00 58.87 59.07 1x05 n SER 5 Cb 0.00 -5.27 0.00 0.00 -0.75 0.00 0.00 64.21 58.19 1x05 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x05 n SER 6 N 1.76 0.48 0.07 -3.46 2.88 -1.26 -4.95 113.62 109.14 1x05 n SER 6 Ca -0.28 0.14 -0.03 0.00 -1.33 0.00 0.00 58.87 57.37 1x05 n SER 6 Cb 0.44 -0.09 -0.02 0.00 -0.75 0.00 0.00 64.21 63.80 1x05 n SER 6 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1x05 h GLY 7 N 0.00 -0.23 -3.71 0.46 0.00 -2.08 -3.48 103.07 94.03 1x05 h GLY 7 Ca 0.00 0.08 -0.21 0.00 0.00 0.00 0.00 47.33 47.21 1x05 h GLY 7 CO 0.00 -0.08 -0.70 0.54 0.00 0.00 0.00 176.54 176.30 1x05 s VAL 8 N -2.32 0.49 0.80 4.60 0.11 -1.26 -5.14 120.40 117.68 1x05 s VAL 8 Ca -0.03 -1.59 -0.15 0.00 -2.93 0.00 0.00 61.98 57.28 1x05 s VAL 8 Cb 0.00 -1.23 -0.01 0.00 -1.53 0.00 0.00 36.38 33.62 1x05 s VAL 8 CO 0.10 -0.74 0.54 -0.38 -3.33 0.00 0.00 175.10 171.28 1x05 n ILE 9 N 0.54 1.30 -2.86 7.04 2.08 -1.26 -4.80 119.36 121.39 1x05 n ILE 9 Ca -0.16 -0.32 -0.42 0.00 0.56 0.00 0.00 62.75 62.41 1x05 n ILE 9 Cb 0.59 -0.74 -0.04 0.00 -0.75 0.00 0.00 39.64 38.70 1x05 n ILE 9 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1x05 s LEU 10 N -0.85 4.17 0.62 1.39 1.98 -1.26 -5.03 118.68 119.71 1x05 s LEU 10 Ca 0.63 1.20 -0.15 0.00 -2.89 0.00 0.00 54.13 52.93 1x05 s LEU 10 Cb -0.30 -3.27 -0.02 0.00 0.66 0.00 0.00 46.19 43.26 1x05 s LEU 10 CO 0.60 -0.42 1.06 -0.54 -1.89 0.00 0.00 176.35 175.17 1x05 s LYS 11 N 2.21 3.16 0.07 1.98 1.02 -1.26 -4.91 119.74 122.02 1x05 s LYS 11 Ca 0.39 1.18 0.27 0.00 0.02 0.00 0.00 55.97 57.83 1x05 s LYS 11 Cb -0.17 -2.01 1.05 0.00 -0.52 0.00 0.00 37.83 36.19 1x05 s LYS 11 CO 0.12 -0.94 1.84 0.39 -0.92 0.00 0.00 175.35 175.85 1x05 n GLU 12 N -2.32 0.09 0.00 1.68 1.02 -1.26 -1.46 120.64 118.39 1x05 n GLU 12 Ca 0.09 0.10 0.11 0.00 -0.02 0.00 0.00 57.16 57.44 1x05 n GLU 12 Cb 0.53 -1.61 0.01 0.00 -0.02 0.00 0.00 31.44 30.35 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 -1.76 0.79 -0.07 3.49 0.00 -1.26 -4.33 120.64 117.50 1x05 n GLU 13 Ca 0.06 -0.63 -0.10 0.00 0.00 0.00 0.00 57.16 56.49 1x05 n GLU 13 Cb 0.35 -1.49 -0.08 0.00 0.00 0.00 0.00 31.44 30.22 1x05 n GLU 13 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1x05 n PHE 14 N -0.55 0.00 -0.43 -1.84 3.72 -1.07 -4.52 117.46 112.76 1x05 n PHE 14 Ca 0.08 0.00 0.36 0.00 -0.05 0.00 0.00 57.45 57.84 1x05 n PHE 14 Cb 0.41 -0.62 0.59 0.00 -0.94 0.00 0.00 39.48 38.92 1x05 n PHE 14 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1x05 n ARG 15 N -2.81 -0.02 0.00 -1.08 1.74 -0.54 -4.22 116.66 109.73 1x05 n ARG 15 Ca -0.26 1.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 1x05 n ARG 15 Cb 0.84 -2.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 1x05 n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x05 n GLY 16 N -1.50 -3.32 3.35 -0.13 0.00 -1.26 -4.99 105.19 97.34 1x05 n GLY 16 Ca 0.35 -1.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.05 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 0.76 0.35 1.61 0.11 -1.25 -4.97 120.40 117.02 1x05 s VAL 17 Ca 0.00 -2.00 0.06 0.00 -2.93 0.00 0.00 61.98 57.11 1x05 s VAL 17 Cb 0.00 -2.63 -0.01 0.00 -1.53 0.00 0.00 36.38 32.21 1x05 s VAL 17 CO 0.00 -0.05 0.50 -0.63 -3.33 0.00 0.00 175.10 171.59 1x05 s ILE 18 N -3.61 3.95 0.00 7.04 1.01 -1.26 -2.37 121.20 125.96 1x05 s ILE 18 Ca 0.36 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1x05 s ILE 18 Cb 0.08 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.18 1x05 s ILE 18 CO 0.13 -0.15 0.00 2.30 0.00 0.00 0.00 174.94 177.22 1x05 n ILE 19 N -1.70 0.00 -3.83 2.92 -0.00 -0.88 -4.82 119.36 111.05 1x05 n ILE 19 Ca 0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 62.75 62.64 1x05 n ILE 19 Cb 0.58 -0.45 -0.09 0.00 -0.00 0.00 0.00 39.64 39.68 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 -1.61 0.54 0.11 6.28 2.20 -1.25 -5.06 119.74 120.95 1x05 s LYS 20 Ca 0.00 -0.30 -0.12 0.00 -0.36 0.00 0.00 55.97 55.20 1x05 s LYS 20 Cb 0.00 0.23 0.01 0.00 -1.51 0.00 0.00 37.83 36.57 1x05 s LYS 20 CO 0.00 -0.14 0.29 -0.65 -0.36 0.00 0.00 175.35 174.49 1x05 s GLN 21 N -1.30 0.96 0.00 4.03 -0.21 -1.26 -1.72 119.66 120.16 1x05 s GLN 21 Ca -0.14 -0.87 0.00 0.00 0.02 0.00 0.00 55.36 54.37 1x05 s GLN 21 Cb -0.07 0.40 0.00 0.00 1.00 0.00 0.00 33.01 34.34 1x05 s GLN 21 CO 0.02 -0.34 0.00 0.41 -2.12 0.00 0.00 175.29 173.26 1x05 n GLY 22 N -0.14 -1.35 3.73 3.09 0.00 -1.11 -5.03 105.19 104.38 1x05 n GLY 22 Ca -0.15 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.94 1.05 -0.46 0.00 1.43 0.43 -4.87 118.68 114.31 1x05 s LEU 24 Ca 0.24 -1.34 -0.07 0.00 -1.03 0.00 0.00 54.13 51.93 1x05 s LEU 24 Cb -0.12 0.62 0.12 0.00 0.03 0.00 0.00 46.19 46.84 1x05 s LEU 24 CO 0.15 -0.91 0.31 -0.76 0.23 0.00 0.00 176.35 175.38 1x05 s LEU 25 N -3.15 5.56 -0.37 1.79 2.01 -1.23 0.95 118.68 124.24 1x05 s LEU 25 Ca 0.36 -2.00 -0.27 0.00 0.01 0.00 0.00 54.13 52.23 1x05 s LEU 25 Cb 0.05 -1.95 0.02 0.00 0.01 0.00 0.00 46.19 44.32 1x05 s LEU 25 CO 0.13 -0.63 1.01 -0.75 1.01 0.00 0.00 176.35 177.11 1x05 s LYS 26 N 1.22 3.90 0.22 1.70 2.20 -0.92 -2.64 119.74 125.43 1x05 s LYS 26 Ca 0.07 0.75 0.10 0.00 -0.36 0.00 0.00 55.97 56.53 1x05 s LYS 26 Cb -0.25 -3.79 -0.04 0.00 -1.51 0.00 0.00 37.83 32.23 1x05 s LYS 26 CO -0.02 -1.00 -0.11 -1.14 -0.36 0.00 0.00 175.35 172.73 1x05 s GLN 27 N 3.69 1.99 0.00 4.03 -0.44 -0.55 -3.96 119.66 124.42 1x05 s GLN 27 Ca 0.42 -1.41 0.00 0.00 -2.50 0.00 0.00 55.36 51.87 1x05 s GLN 27 Cb -0.11 -2.06 0.00 0.00 -1.64 0.00 0.00 33.01 29.19 1x05 s GLN 27 CO 0.19 0.40 0.00 0.41 0.50 0.00 0.00 175.29 176.79 1x05 n GLY 28 N -0.26 -0.11 0.21 2.59 0.00 -1.26 -3.69 105.19 102.67 1x05 n GLY 28 Ca -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.41 -2.07 -0.03 1.61 -0.00 -1.26 -4.94 115.22 108.11 1x05 n HIS 29 Ca 0.00 0.12 0.05 0.00 -0.00 0.00 0.00 57.72 57.89 1x05 n HIS 29 Cb 0.09 0.64 -0.15 0.00 -0.00 0.00 0.00 29.99 30.57 1x05 n HIS 29 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1x05 n ARG 30 N -2.79 0.72 -3.17 1.57 5.12 -1.26 -5.05 116.66 111.80 1x05 n ARG 30 Ca 0.00 -0.13 -0.23 0.00 -1.93 0.00 0.00 57.85 55.56 1x05 n ARG 30 Cb 0.00 -1.46 0.02 0.00 -1.16 0.00 0.00 32.46 29.86 1x05 n ARG 30 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1x05 n ARG 31 N -2.30 -2.16 -2.66 5.56 0.63 -1.26 -4.99 116.66 109.47 1x05 n ARG 31 Ca -0.10 1.79 -0.04 0.00 -0.92 0.00 0.00 57.85 58.57 1x05 n ARG 31 Cb 0.66 -3.88 0.06 0.00 0.45 0.00 0.00 32.46 29.76 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 -0.20 0.07 -1.45 -0.14 4.76 -1.26 -5.12 118.16 114.83 1x05 n LYS 32 Ca 0.02 -0.64 0.00 0.00 -2.87 0.00 0.00 58.31 54.82 1x05 n LYS 32 Cb 0.56 -0.01 0.00 0.00 -1.84 0.00 0.00 35.03 33.74 1x05 n LYS 32 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1x05 n ASN 33 N 1.85 -7.81 -4.38 4.39 4.13 -1.26 -4.83 115.26 107.35 1x05 n ASN 33 Ca 0.04 1.05 -0.40 0.00 1.68 0.00 0.00 54.58 56.95 1x05 n ASN 33 Cb 0.69 -3.72 0.01 0.00 -1.54 0.00 0.00 39.78 35.23 1x05 n ASN 33 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 1x05 n TRP 34 N 0.26 -1.38 -4.28 3.10 7.02 -1.26 -4.96 117.44 115.95 1x05 n TRP 34 Ca 0.00 0.55 -0.29 0.00 -1.02 0.00 0.00 57.50 56.74 1x05 n TRP 34 Cb 0.00 -1.87 -0.17 0.00 -2.42 0.00 0.00 31.31 26.85 1x05 n TRP 34 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1x05 s LYS 35 N -1.43 2.16 0.38 -0.99 1.02 -1.25 -5.03 119.74 114.60 1x05 s LYS 35 Ca 0.62 -0.53 -0.26 0.00 0.02 0.00 0.00 55.97 55.82 1x05 s LYS 35 Cb -0.56 -1.91 -0.09 0.00 -0.52 0.00 0.00 37.83 34.75 1x05 s LYS 35 CO 0.60 -0.13 1.25 0.08 -0.92 0.00 0.00 175.35 176.23 1x05 s VAL 36 N 1.19 2.83 -0.03 3.17 1.01 -1.26 -2.16 120.40 125.15 1x05 s VAL 36 Ca -0.02 0.75 -0.26 0.00 0.00 0.00 0.00 61.98 62.45 1x05 s VAL 36 Cb -0.14 -3.45 0.06 0.00 0.00 0.00 0.00 36.38 32.85 1x05 s VAL 36 CO -0.05 0.12 0.56 -0.13 0.00 0.00 0.00 175.10 175.60 1x05 s ARG 37 N -2.13 0.95 0.12 2.72 0.52 0.27 -4.65 118.95 116.74 1x05 s ARG 37 Ca 0.55 0.08 -0.24 0.00 -0.52 0.00 0.00 55.73 55.60 1x05 s ARG 37 Cb -0.36 0.44 -0.07 0.00 0.52 0.00 0.00 34.95 35.48 1x05 s ARG 37 CO 0.46 -0.30 0.72 0.21 0.02 0.00 0.00 175.30 176.41 1x05 s LYS 38 N -1.38 4.46 -0.11 3.54 2.20 0.57 0.16 119.74 129.18 1x05 s LYS 38 Ca -0.11 1.03 -0.01 0.00 -0.36 0.00 0.00 55.97 56.52 1x05 s LYS 38 Cb -0.02 -3.27 0.03 0.00 -1.51 0.00 0.00 37.83 33.06 1x05 s LYS 38 CO 0.07 0.54 -0.04 -0.06 -0.36 0.00 0.00 175.35 175.50 1x05 s PHE 39 N -0.94 1.21 -0.14 4.03 0.40 0.54 -1.01 117.98 122.07 1x05 s PHE 39 Ca 0.34 -0.60 -0.01 0.00 -0.60 0.00 0.00 56.93 56.06 1x05 s PHE 39 Cb -0.22 -1.09 -0.02 0.00 0.51 0.00 0.00 43.02 42.21 1x05 s PHE 39 CO 0.24 -0.47 -0.11 0.42 0.70 0.00 0.00 175.22 176.00 1x05 s ILE 40 N 1.80 3.24 -0.10 0.64 1.01 0.48 -2.75 121.20 125.52 1x05 s ILE 40 Ca 0.04 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 60.08 1x05 s ILE 40 Cb -0.13 -2.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 1x05 s ILE 40 CO -0.07 0.52 -0.01 -0.22 0.00 0.00 0.00 174.94 175.15 1x05 s LEU 41 N 0.36 3.46 -0.03 2.97 2.96 -0.70 0.22 118.68 127.93 1x05 s LEU 41 Ca -0.09 0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 53.87 1x05 s LEU 41 Cb -0.16 -1.80 0.03 0.00 0.50 0.00 0.00 46.19 44.77 1x05 s LEU 41 CO 0.05 0.33 0.05 -0.13 -1.32 0.00 0.00 176.35 175.33 1x05 s ARG 42 N -0.57 -0.04 -0.08 1.98 0.52 -0.01 -2.07 118.95 118.67 1x05 s ARG 42 Ca 0.09 0.28 -0.03 0.00 -0.52 0.00 0.00 55.73 55.55 1x05 s ARG 42 Cb -0.12 -0.34 -0.04 0.00 0.52 0.00 0.00 34.95 34.98 1x05 s ARG 42 CO 0.02 -0.23 0.06 -1.83 0.02 0.00 0.00 175.30 173.34 1x05 s GLU 43 N 1.52 3.15 -0.57 3.54 -1.05 -1.00 0.03 118.70 124.30 1x05 s GLU 43 Ca -0.04 -0.33 -0.13 0.00 -0.15 0.00 0.00 54.97 54.33 1x05 s GLU 43 Cb -0.13 -2.93 0.02 0.00 -0.44 0.00 0.00 34.13 30.65 1x05 s GLU 43 CO -0.03 0.72 0.64 -3.47 0.95 0.00 0.00 175.26 174.07 1x05 n ASP 44 N 1.93 -7.21 -4.79 0.83 2.03 -1.26 -3.75 116.55 104.34 1x05 n ASP 44 Ca -0.18 0.08 -0.29 0.00 0.52 0.00 0.00 54.79 54.92 1x05 n ASP 44 Cb 0.54 -4.42 0.13 0.00 -0.72 0.00 0.00 41.12 36.65 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 -2.97 1.24 -0.62 -0.67 0.04 -1.26 -3.94 135.00 126.82 1x05 s PRO 45 Ca 0.16 0.33 -0.17 0.00 0.04 0.00 0.00 61.00 61.37 1x05 s PRO 45 Cb -0.04 -1.85 0.14 0.00 0.04 0.00 0.00 34.50 32.80 1x05 s PRO 45 CO 0.79 -2.14 0.63 0.00 0.04 0.00 0.00 177.00 176.33 1x05 s ALA 46 N -3.26 3.65 -0.03 8.56 0.00 -1.24 -4.69 121.76 124.75 1x05 s ALA 46 Ca 0.63 -2.61 -0.12 0.00 0.00 0.00 0.00 51.96 49.87 1x05 s ALA 46 Cb -0.15 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.57 1x05 s ALA 46 CO 0.53 -2.20 0.25 0.71 0.00 0.00 0.00 175.76 175.06 1x05 s TYR 47 N 1.69 -0.14 -0.24 0.00 2.02 0.10 -2.57 117.35 118.21 1x05 s TYR 47 Ca 0.09 0.25 0.01 0.00 -0.37 0.00 0.00 57.07 57.05 1x05 s TYR 47 Cb -0.24 0.06 0.04 0.00 -0.40 0.00 0.00 41.96 41.42 1x05 s TYR 47 CO 0.01 -0.31 -0.11 -1.17 -1.57 0.00 0.00 175.55 172.40 1x05 s LEU 48 N -1.03 3.07 -0.14 -1.29 1.98 -1.07 -0.83 118.68 119.37 1x05 s LEU 48 Ca -0.11 -1.07 -0.04 0.00 -2.89 0.00 0.00 54.13 50.03 1x05 s LEU 48 Cb -0.05 -1.57 -0.03 0.00 0.66 0.00 0.00 46.19 45.20 1x05 s LEU 48 CO 0.03 -0.13 -0.01 -1.00 -1.89 0.00 0.00 176.35 173.35 1x05 s HIS 49 N 1.22 3.10 -0.10 5.38 3.76 0.13 -0.82 115.29 127.96 1x05 s HIS 49 Ca -0.03 -0.09 0.03 0.00 -0.15 0.00 0.00 55.06 54.82 1x05 s HIS 49 Cb -0.17 -1.92 0.01 0.00 1.11 0.00 0.00 32.58 31.60 1x05 s HIS 49 CO -0.07 0.14 -0.18 1.52 -0.85 0.00 0.00 174.74 175.31 1x05 s TYR 50 N -0.01 2.09 0.41 1.40 1.13 -1.22 0.18 117.35 121.33 1x05 s TYR 50 Ca 0.02 -0.91 0.07 0.00 -1.41 0.00 0.00 57.07 54.85 1x05 s TYR 50 Cb -0.13 -1.46 -0.06 0.00 -1.10 0.00 0.00 41.96 39.21 1x05 s TYR 50 CO 0.02 -0.42 0.14 0.71 -2.51 0.00 0.00 175.55 173.49 1x05 s TYR 51 N 0.70 2.59 0.31 -3.49 1.51 -0.18 -1.71 117.35 117.08 1x05 s TYR 51 Ca -0.12 -0.59 -0.28 0.00 -1.01 0.00 0.00 57.07 55.07 1x05 s TYR 51 Cb -0.16 -1.90 -0.09 0.00 -0.11 0.00 0.00 41.96 39.70 1x05 s TYR 51 CO 0.03 0.25 1.05 0.34 -1.11 0.00 0.00 175.55 176.11 1x05 s ASP 52 N -3.86 7.19 -0.02 2.29 -1.08 -1.26 -0.32 116.67 119.60 1x05 s ASP 52 Ca 0.40 2.14 -0.23 0.00 -0.52 0.00 0.00 52.55 54.34 1x05 s ASP 52 Cb 0.04 -2.61 -0.22 0.00 -1.46 0.00 0.00 42.92 38.67 1x05 s ASP 52 CO 0.22 -0.19 1.09 1.55 0.52 0.00 0.00 175.17 178.36 1x05 h PRO 53 N 3.47 0.25 -1.08 4.34 0.13 -1.92 -3.20 132.00 134.00 1x05 h PRO 53 Ca -0.47 -0.25 0.29 0.00 -0.87 0.00 0.00 66.00 64.71 1x05 h PRO 53 Cb 1.21 0.06 -0.11 0.00 0.13 0.00 0.00 31.00 32.30 1x05 h PRO 53 CO 0.66 0.94 0.68 0.00 -0.23 0.00 0.00 178.00 180.05 1x05 h ALA 54 N 0.32 2.25 0.00 -0.56 0.00 -1.93 -3.45 119.26 115.89 1x05 h ALA 54 Ca -0.03 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1x05 h ALA 54 Cb 1.03 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1x05 h ALA 54 CO 0.06 -0.71 0.00 0.41 0.00 0.00 0.00 179.25 179.02 1x05 n GLY 55 N -1.45 4.46 3.94 0.00 0.00 -1.21 -5.19 105.19 105.73 1x05 n GLY 55 Ca 0.28 -0.89 0.02 0.00 0.00 0.00 0.00 46.02 45.42 1x05 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 s ALA 56 N -1.63 -2.32 0.08 4.61 0.00 -1.26 -4.71 121.76 116.54 1x05 s ALA 56 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.99 1x05 s ALA 56 Cb 0.00 0.83 -0.00 0.00 0.00 0.00 0.00 23.12 23.94 1x05 s ALA 56 CO 0.00 -1.13 -0.02 -1.91 0.00 0.00 0.00 175.76 172.70 1x05 n GLU 57 N -0.84 0.03 -3.44 0.00 4.07 -1.26 -5.01 120.64 114.20 1x05 n GLU 57 Ca 0.02 0.01 -0.24 0.00 -0.06 0.00 0.00 57.16 56.88 1x05 n GLU 57 Cb 0.59 -0.54 -0.02 0.00 -0.06 0.00 0.00 31.44 31.41 1x05 n GLU 57 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 1x05 s ASP 58 N -5.96 6.32 0.13 4.31 -4.77 -1.26 -5.06 116.67 110.38 1x05 s ASP 58 Ca -0.01 0.45 -0.30 0.00 -3.30 0.00 0.00 52.55 49.38 1x05 s ASP 58 Cb 0.00 -2.03 -0.07 0.00 -1.09 0.00 0.00 42.92 39.73 1x05 s ASP 58 CO 0.02 -0.25 1.14 -2.16 0.70 0.00 0.00 175.17 174.62 1x05 s PRO 59 N -4.13 4.53 0.40 2.11 0.04 -1.26 -4.79 135.00 131.89 1x05 s PRO 59 Ca 0.40 1.74 0.14 0.00 0.04 0.00 0.00 61.00 63.32 1x05 s PRO 59 Cb -0.10 -3.31 0.99 0.00 0.04 0.00 0.00 34.50 32.13 1x05 s PRO 59 CO 0.34 -0.06 1.86 -0.07 0.04 0.00 0.00 177.00 179.12 1x05 h LEU 60 N 5.76 0.49 0.00 -3.56 3.38 -1.70 -3.46 115.31 116.23 1x05 h LEU 60 Ca -0.43 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1x05 h LEU 60 Cb 1.21 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1x05 h LEU 60 CO 0.76 0.22 0.00 0.61 0.09 0.00 0.00 178.44 180.11 1x05 n GLY 61 N -1.48 0.97 3.15 0.83 0.00 -1.25 -5.07 105.19 102.33 1x05 n GLY 61 Ca 0.18 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 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 0.85 -0.25 4.61 0.00 -1.26 -3.38 121.76 121.33 1x05 s ALA 62 Ca 0.00 -1.45 -0.01 0.00 0.00 0.00 0.00 51.96 50.50 1x05 s ALA 62 Cb -0.00 0.78 0.08 0.00 0.00 0.00 0.00 23.12 23.98 1x05 s ALA 62 CO 0.00 -0.47 0.03 0.42 0.00 0.00 0.00 175.76 175.75 1x05 s ILE 63 N -4.01 0.98 0.17 0.00 1.01 0.00 -4.95 121.20 114.41 1x05 s ILE 63 Ca 0.22 -1.10 -0.33 0.00 0.00 0.00 0.00 60.65 59.44 1x05 s ILE 63 Cb 0.07 -1.52 -0.14 0.00 0.01 0.00 0.00 42.46 40.88 1x05 s ILE 63 CO 0.01 -0.36 1.53 1.57 0.00 0.00 0.00 174.94 177.68 1x05 n HIS 64 N 4.85 2.21 -0.05 3.97 -0.00 -1.26 -2.61 115.22 122.32 1x05 n HIS 64 Ca -0.07 0.32 0.04 0.00 0.46 0.00 0.00 57.72 58.47 1x05 n HIS 64 Cb 0.44 -2.51 0.09 0.00 -0.12 0.00 0.00 29.99 27.89 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 3.10 2.47 0.18 0.27 4.77 -1.06 -4.31 117.00 122.42 1x05 n LEU 65 Ca 0.16 -1.85 -0.14 0.00 -0.03 0.00 0.00 56.01 54.15 1x05 n LEU 65 Cb 0.29 -0.13 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1x05 n LEU 65 CO 0.63 0.61 0.52 0.03 -1.33 0.00 0.00 177.39 177.84 1x05 h ARG 66 N 1.36 -0.72 -0.04 3.23 3.08 -1.86 -3.32 114.38 116.11 1x05 h ARG 66 Ca 0.00 0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.00 1x05 h ARG 66 Cb 0.60 0.16 -0.18 0.00 0.08 0.00 0.00 29.97 30.64 1x05 h ARG 66 CO 0.00 -0.48 -0.74 0.41 -1.07 0.00 0.00 179.97 178.09 1x05 n GLY 67 N -1.43 3.51 3.42 0.04 0.00 -1.26 -4.92 105.19 104.54 1x05 n GLY 67 Ca -0.09 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.54 0.03 -0.07 0.00 1.01 0.17 -4.97 120.40 114.02 1x05 s VAL 69 Ca 0.69 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.44 1x05 s VAL 69 Cb -0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 1x05 s VAL 69 CO 0.58 -0.14 -0.12 -0.69 0.00 0.00 0.00 175.10 174.73 1x05 s VAL 70 N -0.40 3.24 0.30 2.92 1.01 -1.26 -1.14 120.40 125.07 1x05 s VAL 70 Ca -0.04 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 1x05 s VAL 70 Cb -0.03 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1x05 s VAL 70 CO -0.00 0.58 0.48 0.28 0.00 0.00 0.00 175.10 176.43 1x05 s THR 71 N -0.50 0.00 -0.07 3.92 -1.32 -0.87 -5.02 115.64 111.79 1x05 s THR 71 Ca 0.07 -1.50 0.05 0.00 -1.21 0.00 0.00 61.69 59.10 1x05 s THR 71 Cb -0.12 -2.48 -0.01 0.00 -1.51 0.00 0.00 72.50 68.38 1x05 s THR 71 CO 0.02 0.00 -0.24 -0.44 -2.21 0.00 0.00 174.62 171.75 1x05 s SER 72 N -3.13 3.15 1.32 8.08 0.01 -1.26 -3.22 113.70 118.64 1x05 s SER 72 Ca 0.27 -0.50 -0.21 0.00 1.31 0.00 0.00 55.95 56.82 1x05 s SER 72 Cb -0.00 -0.97 0.33 0.00 0.21 0.00 0.00 66.02 65.59 1x05 s SER 72 CO 0.15 0.23 1.02 0.68 0.41 0.00 0.00 173.24 175.73 1x05 s VAL 73 N -0.08 1.40 -0.35 3.43 -7.23 -1.24 -4.80 120.40 111.53 1x05 s VAL 73 Ca -0.06 0.00 0.07 0.00 -1.81 0.00 0.00 61.98 60.18 1x05 s VAL 73 Cb -0.14 -2.28 0.51 0.00 0.56 0.00 0.00 36.38 35.02 1x05 s VAL 73 CO 0.05 0.00 1.52 -1.84 -0.31 0.00 0.00 175.10 174.52 1x05 n GLU 74 N -5.21 2.23 -1.24 4.82 0.28 -1.26 -5.01 120.64 115.26 1x05 n GLU 74 Ca 0.13 -3.35 -0.32 0.00 -0.16 0.00 0.00 57.16 53.47 1x05 n GLU 74 Cb 0.60 -1.97 0.10 0.00 1.43 0.00 0.00 31.44 31.60 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 -2.54 4.24 0.28 -1.84 0.01 -1.26 -5.05 113.70 107.54 1x05 s SER 75 Ca 0.49 1.98 0.09 0.00 1.31 0.00 0.00 55.95 59.82 1x05 s SER 75 Cb 0.43 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 64.07 1x05 s SER 75 CO 0.01 -2.22 0.00 0.21 0.41 0.00 0.00 173.24 171.66 1x05 s ASN 76 N -2.98 4.51 0.07 2.44 2.47 -1.26 -5.08 114.94 115.11 1x05 s ASN 76 Ca 0.64 -0.68 -0.07 0.00 0.42 0.00 0.00 52.86 53.17 1x05 s ASN 76 Cb -0.20 -0.81 -0.01 0.00 -1.45 0.00 0.00 41.25 38.79 1x05 s ASN 76 CO 0.53 -0.03 0.15 -0.44 -3.72 0.00 0.00 177.10 173.59 1x05 s SER 77 N -3.69 0.17 0.00 -4.21 0.01 -1.26 -4.58 113.70 100.15 1x05 s SER 77 Ca 0.32 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.93 1x05 s SER 77 Cb -0.06 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.47 1x05 s SER 77 CO 0.20 -0.66 0.00 -3.20 0.41 0.00 0.00 173.24 169.99 1x05 n ASN 78 N 0.17 0.00 0.00 2.44 5.15 -1.26 -4.95 115.26 116.80 1x05 n ASN 78 Ca -0.16 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.82 1x05 n ASN 78 Cb 0.61 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.86 1x05 n ASN 78 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x05 n GLY 79 N 0.00 0.34 0.00 8.20 0.00 -1.26 -5.03 105.19 107.44 1x05 n GLY 79 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 -0.82 1.61 0.00 -1.26 -4.93 116.66 111.26 1x05 n ARG 80 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.81 1x05 n ARG 80 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 32.46 32.72 1x05 n ARG 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1x05 n LYS 81 N 0.00 3.36 -0.06 -0.14 4.81 -1.26 -4.59 118.16 120.28 1x05 n LYS 81 Ca 0.00 -2.49 -0.10 0.00 -0.87 0.00 0.00 58.31 54.85 1x05 n LYS 81 Cb 0.00 -2.06 -0.07 0.00 0.02 0.00 0.00 35.03 32.93 1x05 n LYS 81 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1x05 h SER 82 N 2.32 -1.25 0.00 3.14 0.02 -1.92 -3.43 113.55 112.43 1x05 h SER 82 Ca 0.19 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1x05 h SER 82 Cb 2.00 0.50 0.00 0.00 0.14 0.00 0.00 62.40 65.04 1x05 h SER 82 CO 0.58 -0.30 0.00 -0.62 -1.14 0.00 0.00 176.83 175.35 1x05 n GLU 83 N -4.54 0.00 -3.83 3.45 -0.58 -1.26 -4.44 120.64 109.44 1x05 n GLU 83 Ca -0.03 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.45 1x05 n GLU 83 Cb 0.25 0.00 -0.17 0.00 -0.57 0.00 0.00 31.44 30.95 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 0.00 1.06 0.00 3.49 2.02 -1.26 -5.14 118.70 118.87 1x05 s GLU 84 Ca 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.79 1x05 s GLU 84 Cb 0.00 -1.53 0.00 0.00 0.10 0.00 0.00 34.13 32.70 1x05 s GLU 84 CO 0.00 -0.37 0.00 0.39 0.02 0.00 0.00 175.26 175.30 1x05 n GLU 85 N 5.02 -0.39 -2.18 1.61 1.02 -1.26 -4.42 120.64 120.03 1x05 n GLU 85 Ca -0.10 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.61 1x05 n GLU 85 Cb 0.49 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.89 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 -1.94 6.13 0.45 1.62 0.01 -1.26 -4.87 114.94 115.08 1x05 s ASN 86 Ca 0.00 1.06 0.03 0.00 -0.71 0.00 0.00 52.86 53.24 1x05 s ASN 86 Cb 0.00 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 39.11 1x05 s ASN 86 CO 0.00 -1.56 0.07 -1.48 -1.51 0.00 0.00 177.10 172.63 1x05 s LEU 87 N 6.10 2.13 -0.06 0.60 2.34 -1.26 0.10 118.68 128.63 1x05 s LEU 87 Ca 0.70 -1.66 -0.30 0.00 0.06 0.00 0.00 54.13 52.93 1x05 s LEU 87 Cb -0.18 -0.38 0.07 0.00 -0.56 0.00 0.00 46.19 45.14 1x05 s LEU 87 CO 0.33 -0.89 0.67 0.72 -1.06 0.00 0.00 176.35 176.12 1x05 s PHE 88 N -3.06 -0.66 -0.21 3.48 -0.12 -0.98 -3.61 117.98 112.82 1x05 s PHE 88 Ca 0.17 1.16 -0.09 0.00 -0.05 0.00 0.00 56.93 58.12 1x05 s PHE 88 Cb 0.02 0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 1x05 s PHE 88 CO 0.10 -0.59 0.11 -2.00 -0.05 0.00 0.00 175.22 172.79 1x05 s GLU 89 N -1.08 4.03 -0.27 1.99 2.12 -1.20 -2.76 118.70 121.54 1x05 s GLU 89 Ca -0.10 -0.30 0.03 0.00 0.36 0.00 0.00 54.97 54.95 1x05 s GLU 89 Cb -0.00 -3.37 0.06 0.00 0.26 0.00 0.00 34.13 31.08 1x05 s GLU 89 CO 0.09 0.18 -0.09 0.42 -0.54 0.00 0.00 175.26 175.32 1x05 s ILE 90 N 0.68 2.23 0.16 -3.70 1.01 -0.81 -2.04 121.20 118.73 1x05 s ILE 90 Ca 0.06 -1.70 -0.23 0.00 0.00 0.00 0.00 60.65 58.77 1x05 s ILE 90 Cb -0.13 -2.35 -0.08 0.00 0.01 0.00 0.00 42.46 39.91 1x05 s ILE 90 CO 0.01 -0.10 0.73 -0.63 0.00 0.00 0.00 174.94 174.95 1x05 s ILE 91 N 1.09 4.48 0.21 2.92 1.01 -0.29 -2.98 121.20 127.64 1x05 s ILE 91 Ca -0.07 1.52 0.03 0.00 0.00 0.00 0.00 60.65 62.14 1x05 s ILE 91 Cb -0.20 -4.03 0.03 0.00 0.01 0.00 0.00 42.46 38.27 1x05 s ILE 91 CO -0.05 0.45 0.26 0.35 0.00 0.00 0.00 174.94 175.95 1x05 n THR 92 N 1.41 0.00 0.37 2.92 -2.24 -0.44 0.41 114.28 116.71 1x05 n THR 92 Ca -0.06 -0.74 0.14 0.00 -2.27 0.00 0.00 64.05 61.12 1x05 n THR 92 Cb 0.50 -0.68 0.54 0.00 -2.10 0.00 0.00 70.33 68.58 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 0.46 1.00 -0.02 6.98 0.00 -1.81 -1.20 119.26 124.67 1x05 h ALA 93 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1x05 h ALA 93 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1x05 h ALA 93 CO 0.16 0.00 -0.11 -0.25 0.00 0.00 0.00 179.25 179.04 1x05 n ASP 94 N -2.57 2.05 0.00 0.00 9.92 -1.26 -4.91 116.55 119.78 1x05 n ASP 94 Ca 0.02 -1.59 0.00 0.00 -0.53 0.00 0.00 54.79 52.69 1x05 n ASP 94 Cb 0.29 0.10 0.00 0.00 -0.64 0.00 0.00 41.12 40.86 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 0.44 0.00 -1.72 -1.24 1.02 -0.45 -4.99 120.64 113.70 1x05 n GLU 95 Ca 0.15 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.86 1x05 n GLU 95 Cb 0.46 -1.99 -0.02 0.00 -0.02 0.00 0.00 31.44 29.87 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 0.71 -4.41 2.62 0.31 -1.26 -4.56 118.33 109.73 1x05 n VAL 96 Ca 0.00 -0.18 -0.34 0.00 -0.01 0.00 0.00 64.34 63.81 1x05 n VAL 96 Cb 0.00 -1.84 -0.10 0.00 -0.91 0.00 0.00 33.84 30.99 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 0.31 3.09 -0.02 3.52 3.76 -1.26 -1.33 115.29 123.35 1x05 s HIS 97 Ca 0.68 0.13 0.01 0.00 -0.15 0.00 0.00 55.06 55.73 1x05 s HIS 97 Cb -0.54 -1.74 0.01 0.00 1.11 0.00 0.00 32.58 31.42 1x05 s HIS 97 CO 0.44 0.44 -0.03 0.71 -0.85 0.00 0.00 174.74 175.45 1x05 s TYR 98 N -0.92 0.45 -0.35 1.40 2.02 -1.16 -4.95 117.35 113.84 1x05 s TYR 98 Ca 0.15 -0.08 -0.05 0.00 -0.37 0.00 0.00 57.07 56.72 1x05 s TYR 98 Cb -0.11 -0.41 0.06 0.00 -0.40 0.00 0.00 41.96 41.10 1x05 s TYR 98 CO 0.04 -0.10 0.11 -0.06 -1.57 0.00 0.00 175.55 173.97 1x05 s PHE 99 N 0.56 3.33 -0.12 2.71 0.08 -1.24 -1.93 117.98 121.37 1x05 s PHE 99 Ca -0.06 -1.76 -0.01 0.00 0.12 0.00 0.00 56.93 55.21 1x05 s PHE 99 Cb -0.09 -2.47 -0.03 0.00 -0.57 0.00 0.00 43.02 39.86 1x05 s PHE 99 CO -0.01 -0.81 -0.06 -0.51 -0.10 0.00 0.00 175.22 173.73 1x05 s LEU 100 N 1.31 3.14 -0.15 -0.37 2.01 -1.11 -1.49 118.68 122.02 1x05 s LEU 100 Ca -0.00 -0.11 -0.14 0.00 0.01 0.00 0.00 54.13 53.89 1x05 s LEU 100 Cb -0.21 -1.72 -0.05 0.00 0.01 0.00 0.00 46.19 44.23 1x05 s LEU 100 CO 0.00 0.25 0.29 -1.58 1.01 0.00 0.00 176.35 176.32 1x05 s GLN 101 N -0.12 4.20 0.05 1.70 0.74 -1.08 -2.33 119.66 122.82 1x05 s GLN 101 Ca 0.02 0.10 -0.08 0.00 0.05 0.00 0.00 55.36 55.45 1x05 s GLN 101 Cb -0.13 -3.40 -0.05 0.00 1.10 0.00 0.00 33.01 30.52 1x05 s GLN 101 CO 0.03 0.29 0.34 0.00 -0.55 0.00 0.00 175.29 175.39 1x05 s ALA 102 N 0.32 3.79 0.05 1.58 0.00 0.29 -3.57 121.76 124.21 1x05 s ALA 102 Ca 0.17 -0.48 -0.29 0.00 0.00 0.00 0.00 51.96 51.36 1x05 s ALA 102 Cb -0.13 -2.17 -0.17 0.00 0.00 0.00 0.00 23.12 20.65 1x05 s ALA 102 CO 0.04 0.61 1.47 0.00 0.00 0.00 0.00 175.76 177.88 1x05 h ALA 103 N 3.81 -0.69 -1.87 0.00 0.00 -1.89 -3.38 119.26 115.23 1x05 h ALA 103 Ca -0.49 -0.18 -0.48 0.00 0.00 0.00 0.00 54.91 53.76 1x05 h ALA 103 Cb 1.19 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 1x05 h ALA 103 CO 0.67 -0.82 -0.42 0.95 0.00 0.00 0.00 179.25 179.62 1x05 s THR 104 N -5.52 3.82 -0.20 0.00 -4.23 -1.26 -4.92 115.64 103.34 1x05 s THR 104 Ca -0.16 -1.25 0.28 0.00 -1.18 0.00 0.00 61.69 59.38 1x05 s THR 104 Cb 0.03 -3.29 0.36 0.00 1.34 0.00 0.00 72.50 70.94 1x05 s THR 104 CO 0.58 -0.19 1.80 1.55 -0.54 0.00 0.00 174.62 177.82 1x05 h PRO 105 N 1.16 0.00 0.19 3.99 0.13 -1.96 -3.03 132.00 132.49 1x05 h PRO 105 Ca -0.46 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.39 1x05 h PRO 105 Cb 1.25 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.41 1x05 h PRO 105 CO 0.57 0.00 -1.23 -0.22 -0.23 0.00 0.00 178.00 176.89 1x05 h LYS 106 N 0.00 0.49 0.27 0.86 3.64 -1.98 -3.30 116.57 116.55 1x05 h LYS 106 Ca 0.00 -0.79 0.00 0.00 -1.27 0.00 0.00 60.65 58.59 1x05 h LYS 106 Cb 0.73 0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 1x05 h LYS 106 CO 0.00 1.37 -0.27 1.49 -2.27 0.00 0.00 179.45 179.77 1x05 h GLU 107 N 0.02 -0.55 -0.98 1.90 4.81 -1.95 0.91 114.58 118.75 1x05 h GLU 107 Ca -0.21 0.04 0.31 0.00 -0.13 0.00 0.00 59.36 59.37 1x05 h GLU 107 Cb 1.95 0.12 -0.17 0.00 0.63 0.00 0.00 28.75 31.28 1x05 h GLU 107 CO 0.23 -0.36 0.24 -0.09 -0.73 0.00 0.00 179.01 178.30 1x05 h ARG 108 N -0.57 0.05 -0.17 1.92 2.43 -1.65 1.10 114.38 117.50 1x05 h ARG 108 Ca -0.01 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.00 1x05 h ARG 108 Cb 0.52 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1x05 h ARG 108 CO -0.05 0.03 -0.52 1.15 -1.51 0.00 0.00 179.97 179.08 1x05 h THR 109 N 0.05 1.33 0.96 0.20 2.02 -1.46 -2.93 112.91 113.09 1x05 h THR 109 Ca 0.67 -1.77 -0.05 0.00 0.77 0.00 0.00 66.41 66.04 1x05 h THR 109 Cb 1.54 1.97 0.01 0.00 -1.74 0.00 0.00 68.15 69.93 1x05 h THR 109 CO -0.82 0.55 -0.47 -0.33 0.37 0.00 0.00 175.52 174.82 1x05 h GLU 110 N 0.32 -1.25 -0.83 6.66 5.08 0.33 -1.83 114.58 123.07 1x05 h GLU 110 Ca -0.02 0.09 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 1x05 h GLU 110 Cb 1.14 0.28 -0.12 0.00 0.50 0.00 0.00 28.75 30.55 1x05 h GLU 110 CO 0.11 -0.83 -0.53 -1.49 -1.00 0.00 0.00 179.01 175.27 1x05 h TRP 111 N -1.30 -1.63 -0.18 4.33 -0.00 0.38 1.60 115.95 119.15 1x05 h TRP 111 Ca -0.13 0.11 0.02 0.00 -0.00 0.00 0.00 58.89 58.89 1x05 h TRP 111 Cb 1.00 0.82 -0.03 0.00 -0.00 0.00 0.00 29.16 30.95 1x05 h TRP 111 CO -0.01 -0.41 -0.15 0.82 -0.00 0.00 0.00 178.44 178.70 1x05 h ILE 112 N -0.11 0.00 -0.23 1.49 2.04 -1.37 1.65 117.51 120.98 1x05 h ILE 112 Ca 0.18 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.11 1x05 h ILE 112 Cb 0.50 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1x05 h ILE 112 CO -0.85 0.00 0.32 0.11 0.00 0.00 0.00 178.15 177.73 1x05 h LYS 113 N -0.05 0.00 0.51 2.37 1.57 -0.19 0.16 116.57 120.94 1x05 h LYS 113 Ca 0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1x05 h LYS 113 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1x05 h LYS 113 CO -0.20 0.00 -0.24 0.00 -0.57 0.00 0.00 179.45 178.44 1x05 h ALA 114 N 1.58 -0.72 -0.77 3.86 0.00 1.31 0.73 119.26 125.25 1x05 h ALA 114 Ca 0.11 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1x05 h ALA 114 Cb 0.75 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1x05 h ALA 114 CO -0.00 -0.67 0.50 0.82 0.00 0.00 0.00 179.25 179.90 1x05 h ILE 115 N -1.11 0.95 0.17 0.00 5.03 0.19 -1.70 117.51 121.04 1x05 h ILE 115 Ca -0.07 -0.24 -0.01 0.00 -0.12 0.00 0.00 64.86 64.42 1x05 h ILE 115 Cb 0.52 0.19 0.00 0.00 -3.03 0.00 0.00 36.82 34.50 1x05 h ILE 115 CO 0.11 0.13 -0.08 1.56 -0.68 0.00 0.00 178.15 179.19 1x05 h GLN 116 N 0.70 -0.22 -0.95 2.37 4.20 -0.71 0.19 115.11 120.69 1x05 h GLN 116 Ca 0.35 0.02 0.26 0.00 0.06 0.00 0.00 58.65 59.33 1x05 h GLN 116 Cb 0.44 0.05 -0.13 0.00 0.30 0.00 0.00 27.48 28.14 1x05 h GLN 116 CO -0.13 -0.01 0.47 0.00 -0.67 0.00 0.00 178.83 178.49 1x05 h MET 117 N -0.40 0.39 0.22 1.46 -0.00 0.07 1.48 114.93 118.15 1x05 h MET 117 Ca -0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.70 59.64 1x05 h MET 117 Cb 0.31 -0.09 0.00 0.00 -0.00 0.00 0.00 31.60 31.83 1x05 h MET 117 CO 0.04 0.26 -0.11 0.00 -0.00 0.00 0.00 176.91 177.10 1x05 h ALA 118 N 1.76 -0.35 -1.15 -3.00 0.00 -1.21 -3.22 119.26 112.09 1x05 h ALA 118 Ca 0.63 -0.06 0.33 0.00 0.00 0.00 0.00 54.91 55.81 1x05 h ALA 118 Cb 1.28 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 1x05 h ALA 118 CO -0.56 -0.33 0.85 0.66 0.00 0.00 0.00 179.25 179.87 1x05 h SER 119 N -0.87 0.00 -0.17 0.00 4.64 0.07 1.25 113.55 118.46 1x05 h SER 119 Ca -0.03 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.31 1x05 h SER 119 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1x05 h SER 119 CO 0.05 0.00 0.12 0.03 -0.87 0.00 0.00 176.83 176.16 1x05 h ARG 120 N 0.00 0.13 0.00 4.77 2.47 0.20 -3.45 114.38 118.51 1x05 h ARG 120 Ca 0.54 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.26 1x05 h ARG 120 Cb 2.24 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 30.53 1x05 h ARG 120 CO -0.01 0.09 0.00 0.25 0.56 0.00 0.00 179.97 180.86 1x05 n THR 121 N -4.51 0.00 -2.09 2.04 -2.24 0.43 -4.48 114.28 103.43 1x05 n THR 121 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.83 1x05 n THR 121 Cb 0.15 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.49 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 2.97 1.48 3.38 0.00 -1.26 -5.03 105.19 106.73 1x05 n GLY 122 Ca 0.00 -1.09 0.01 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.27 -3.85 -4.05 1.61 4.76 -1.26 -4.90 118.16 110.19 1x05 n LYS 123 Ca 0.12 3.00 -0.36 0.00 -2.87 0.00 0.00 58.31 58.21 1x05 n LYS 123 Cb 0.93 -3.77 -0.08 0.00 -1.84 0.00 0.00 35.03 30.27 1x05 n LYS 123 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1x05 s SER 124 N -5.35 5.82 0.00 4.39 0.01 -1.26 -5.08 113.70 112.23 1x05 s SER 124 Ca 0.00 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.51 1x05 s SER 124 Cb 0.00 -1.87 0.00 0.00 0.21 0.00 0.00 66.02 64.36 1x05 s SER 124 CO 0.00 0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.58 1x05 n GLY 125 N 2.58 5.42 2.91 3.44 0.00 -1.26 -5.01 105.19 113.26 1x05 n GLY 125 Ca -0.18 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 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 0.00 2.17 -3.43 1.61 -0.04 -1.26 -4.75 135.00 129.30 1x05 n PRO 126 Ca 0.00 -2.19 -0.14 0.00 -0.04 0.00 0.00 63.50 61.13 1x05 n PRO 126 Cb 0.00 -3.08 -0.11 0.00 -0.04 0.00 0.00 33.50 30.27 1x05 n PRO 126 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x05 s SER 127 N 4.10 0.89 -0.48 3.54 0.01 -1.26 -5.09 113.70 115.41 1x05 s SER 127 Ca 0.52 -0.05 0.03 0.00 1.31 0.00 0.00 55.95 57.77 1x05 s SER 127 Cb 0.14 0.71 0.14 0.00 0.21 0.00 0.00 66.02 67.22 1x05 s SER 127 CO 0.02 -0.32 0.27 -0.44 0.41 0.00 0.00 173.24 173.18 1x05 s SER 128 N 2.42 3.82 0.00 2.44 0.01 -1.26 -5.13 113.70 116.01 1x05 s SER 128 Ca 0.10 -2.83 0.00 0.00 1.31 0.00 0.00 55.95 54.53 1x05 s SER 128 Cb -0.16 -1.21 0.00 0.00 0.21 0.00 0.00 66.02 64.86 1x05 s SER 128 CO -0.14 -0.24 0.21 0.61 0.41 0.00 0.00 173.24 174.09