#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x05 s SER 2 N 0.00 -0.71 -0.08 1.61 0.15 -1.26 -5.08 113.70 108.33 1x05 s SER 2 Ca 0.00 1.22 -0.10 0.00 0.70 0.00 0.00 55.95 57.77 1x05 s SER 2 Cb 0.00 1.19 -0.04 0.00 -1.71 0.00 0.00 66.02 65.46 1x05 s SER 2 CO 0.00 -0.35 -0.20 -1.54 1.20 0.00 0.00 173.24 172.35 1x05 n SER 3 N 2.18 1.49 0.00 5.45 3.41 -1.26 -5.08 113.62 119.81 1x05 n SER 3 Ca -0.15 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1x05 n SER 3 Cb 0.56 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1x05 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x05 n GLY 4 N 2.29 1.52 3.54 5.00 0.00 -1.26 -5.05 105.19 111.23 1x05 n GLY 4 Ca -0.12 0.45 -0.07 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 -0.28 -0.10 1.61 1.04 -1.26 -5.09 113.70 109.61 1x05 s SER 5 Ca 0.00 0.04 -0.12 0.00 0.48 0.00 0.00 55.95 56.36 1x05 s SER 5 Cb 0.00 0.29 -0.05 0.00 0.10 0.00 0.00 66.02 66.36 1x05 s SER 5 CO 0.00 -0.45 -0.23 -1.54 0.98 0.00 0.00 173.24 171.99 1x05 n SER 6 N -0.08 1.60 -2.65 7.02 3.41 -1.26 -5.00 113.62 116.67 1x05 n SER 6 Ca -0.06 0.26 -0.02 0.00 -0.26 0.00 0.00 58.87 58.79 1x05 n SER 6 Cb 0.60 -0.60 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 1x05 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x05 n GLY 7 N 2.09 -1.64 3.10 5.00 0.00 -1.26 -5.16 105.19 107.32 1x05 n GLY 7 Ca -0.14 0.74 -0.19 0.00 0.00 0.00 0.00 46.02 46.44 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 0.91 0.84 1.61 1.01 -1.26 -5.12 120.40 118.40 1x05 s VAL 8 Ca 0.15 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 61.11 1x05 s VAL 8 Cb 0.22 -0.84 -0.13 0.00 0.00 0.00 0.00 36.38 35.64 1x05 s VAL 8 CO -0.17 -0.01 -0.47 -0.38 0.00 0.00 0.00 175.10 174.07 1x05 n ILE 9 N 2.08 0.11 -4.02 2.22 2.08 -1.26 -4.94 119.36 115.63 1x05 n ILE 9 Ca -0.18 -0.48 -0.34 0.00 0.56 0.00 0.00 62.75 62.32 1x05 n ILE 9 Cb 0.55 -0.08 -0.15 0.00 -0.75 0.00 0.00 39.64 39.21 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 6.15 2.63 0.00 1.39 1.98 -1.26 -5.11 118.68 124.46 1x05 s LEU 10 Ca 0.47 -0.66 0.00 0.00 -2.89 0.00 0.00 54.13 51.05 1x05 s LEU 10 Cb -0.28 -1.60 0.00 0.00 0.66 0.00 0.00 46.19 44.97 1x05 s LEU 10 CO 0.76 -0.04 0.00 0.29 -1.89 0.00 0.00 176.35 175.47 1x05 n LYS 11 N 4.67 -0.66 -0.06 1.98 5.02 -1.26 -4.99 118.16 122.86 1x05 n LYS 11 Ca -0.19 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 55.99 1x05 n LYS 11 Cb 0.49 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.46 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 -1.28 0.26 0.06 1.97 -0.58 -1.26 -4.29 120.64 115.51 1x05 n GLU 12 Ca 0.00 0.09 0.07 0.00 -0.42 0.00 0.00 57.16 56.90 1x05 n GLU 12 Cb 0.00 -1.02 0.31 0.00 -0.57 0.00 0.00 31.44 30.16 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 -3.28 0.07 -0.33 3.49 0.28 -1.26 -0.89 120.64 118.72 1x05 n GLU 13 Ca -0.22 0.43 0.08 0.00 -0.16 0.00 0.00 57.16 57.29 1x05 n GLU 13 Cb 0.68 -1.66 0.22 0.00 1.43 0.00 0.00 31.44 32.11 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 -1.79 0.71 -0.99 -1.84 3.72 -1.26 -4.69 117.46 111.33 1x05 n PHE 14 Ca 0.01 -0.79 -0.21 0.00 -0.05 0.00 0.00 57.45 56.40 1x05 n PHE 14 Cb 0.11 -0.23 -0.09 0.00 -0.94 0.00 0.00 39.48 38.33 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 -0.38 2.42 -2.81 -1.08 5.12 -0.06 -4.75 116.66 115.11 1x05 n ARG 15 Ca 0.18 -1.39 -0.06 0.00 -1.93 0.00 0.00 57.85 54.65 1x05 n ARG 15 Cb 0.74 -2.30 0.01 0.00 -1.16 0.00 0.00 32.46 29.76 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 3.09 1.48 3.78 -0.13 0.00 -1.07 -2.98 105.19 109.35 1x05 n GLY 16 Ca 0.52 -1.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.46 2.36 0.02 1.61 0.11 -1.24 -4.94 120.40 115.87 1x05 s VAL 17 Ca 0.11 -1.59 -0.17 0.00 -2.93 0.00 0.00 61.98 57.40 1x05 s VAL 17 Cb -0.03 -2.95 -0.06 0.00 -1.53 0.00 0.00 36.38 31.81 1x05 s VAL 17 CO 0.08 0.00 0.49 -0.63 -3.33 0.00 0.00 175.10 171.71 1x05 s ILE 18 N -2.58 4.91 -0.07 7.04 -1.09 -1.26 -3.05 121.20 125.10 1x05 s ILE 18 Ca 0.42 1.02 0.06 0.00 -2.23 0.00 0.00 60.65 59.93 1x05 s ILE 18 Cb 0.02 -3.81 -0.09 0.00 -1.58 0.00 0.00 42.46 37.00 1x05 s ILE 18 CO 0.24 0.55 0.01 2.30 -1.23 0.00 0.00 174.94 176.81 1x05 n ILE 19 N 1.92 0.51 -3.55 2.92 -0.00 -1.00 -4.99 119.36 115.16 1x05 n ILE 19 Ca -0.12 -0.30 -0.17 0.00 -0.00 0.00 0.00 62.75 62.16 1x05 n ILE 19 Cb 0.52 -0.81 -0.06 0.00 -0.00 0.00 0.00 39.64 39.28 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 1.01 -0.01 6.28 2.20 -1.25 -5.06 119.74 120.72 1x05 s LYS 20 Ca -0.05 0.26 -0.18 0.00 -0.36 0.00 0.00 55.97 55.64 1x05 s LYS 20 Cb 0.02 0.47 0.03 0.00 -1.51 0.00 0.00 37.83 36.85 1x05 s LYS 20 CO 0.29 -0.30 0.40 -0.65 -0.36 0.00 0.00 175.35 174.73 1x05 s GLN 21 N -1.10 0.80 0.00 4.03 -0.21 -1.26 -2.02 119.66 119.90 1x05 s GLN 21 Ca -0.11 -0.16 0.00 0.00 0.02 0.00 0.00 55.36 55.12 1x05 s GLN 21 Cb -0.01 0.36 0.00 0.00 1.00 0.00 0.00 33.01 34.36 1x05 s GLN 21 CO 0.09 -0.24 0.00 0.41 -2.12 0.00 0.00 175.29 173.43 1x05 n GLY 22 N 1.02 -0.66 3.89 3.09 0.00 -1.14 -5.05 105.19 106.35 1x05 n GLY 22 Ca -0.20 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.21 1x05 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 s LEU 24 N -2.41 1.75 -0.50 0.00 1.43 0.48 -4.87 118.68 114.56 1x05 s LEU 24 Ca 0.38 -1.11 -0.10 0.00 -1.03 0.00 0.00 54.13 52.27 1x05 s LEU 24 Cb -0.13 0.44 0.13 0.00 0.03 0.00 0.00 46.19 46.66 1x05 s LEU 24 CO 0.22 -0.73 0.38 -0.76 0.23 0.00 0.00 176.35 175.70 1x05 s LEU 25 N -3.01 5.78 -0.54 1.79 2.01 -1.24 0.53 118.68 124.01 1x05 s LEU 25 Ca 0.20 -1.97 -0.27 0.00 0.01 0.00 0.00 54.13 52.10 1x05 s LEU 25 Cb 0.07 -2.04 0.03 0.00 0.01 0.00 0.00 46.19 44.26 1x05 s LEU 25 CO -0.01 -0.70 1.08 -0.75 1.01 0.00 0.00 176.35 176.98 1x05 s LYS 26 N 1.29 3.50 0.23 1.70 2.20 -1.05 -2.71 119.74 124.90 1x05 s LYS 26 Ca 0.06 0.14 -0.23 0.00 -0.36 0.00 0.00 55.97 55.58 1x05 s LYS 26 Cb -0.26 -4.00 -0.15 0.00 -1.51 0.00 0.00 37.83 31.92 1x05 s LYS 26 CO -0.01 -1.52 0.35 0.94 -0.36 0.00 0.00 175.35 174.76 1x05 n GLN 27 N 7.91 0.00 -2.77 4.03 0.00 -0.72 -4.10 117.38 121.72 1x05 n GLN 27 Ca 0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 57.00 57.01 1x05 n GLN 27 Cb 0.49 -0.89 0.02 0.00 0.00 0.00 0.00 30.24 29.86 1x05 n GLN 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1x05 n GLY 28 N 1.86 -0.31 3.57 1.69 0.00 -1.26 -4.95 105.19 105.79 1x05 n GLY 28 Ca 0.14 0.32 -0.20 0.00 0.00 0.00 0.00 46.02 46.28 1x05 n GLY 28 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1x05 n HIS 29 N 2.53 1.47 -0.08 1.61 1.44 -1.26 -4.35 115.22 116.58 1x05 n HIS 29 Ca 0.15 -0.62 -0.15 0.00 -2.01 0.00 0.00 57.72 55.09 1x05 n HIS 29 Cb 0.58 -2.54 -0.06 0.00 0.12 0.00 0.00 29.99 28.09 1x05 n HIS 29 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1x05 n ARG 30 N 8.16 0.35 0.00 -1.40 1.74 -1.26 -5.04 116.66 119.20 1x05 n ARG 30 Ca 0.43 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.64 1x05 n ARG 30 Cb 0.47 -1.13 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 1x05 n ARG 30 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1x05 n ARG 31 N -3.50 0.00 -3.01 5.56 0.00 -1.26 -5.15 116.66 109.30 1x05 n ARG 31 Ca -0.30 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.36 1x05 n ARG 31 Cb 0.74 0.00 0.06 0.00 0.00 0.00 0.00 32.46 33.25 1x05 n ARG 31 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1x05 s LYS 32 N 0.00 2.35 0.44 -0.14 -0.14 -1.26 -5.10 119.74 115.89 1x05 s LYS 32 Ca 0.00 -1.56 -0.06 0.00 -1.36 0.00 0.00 55.97 52.99 1x05 s LYS 32 Cb 0.00 -2.65 0.10 0.00 -1.68 0.00 0.00 37.83 33.60 1x05 s LYS 32 CO 0.00 -0.81 0.22 0.09 -0.76 0.00 0.00 175.35 174.09 1x05 n ASN 33 N -2.22 -2.17 -3.20 2.83 3.02 -1.26 -4.85 115.26 107.41 1x05 n ASN 33 Ca 0.15 -0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1x05 n ASN 33 Cb 0.61 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 1x05 n ASN 33 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1x05 n TRP 34 N -3.54 -1.76 -3.72 3.10 7.02 -1.26 -4.84 117.44 112.44 1x05 n TRP 34 Ca 0.04 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.37 1x05 n TRP 34 Cb 0.15 0.00 -0.15 0.00 -2.42 0.00 0.00 31.31 28.89 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 -2.35 0.06 0.25 -0.99 1.02 -1.26 -4.97 119.74 111.50 1x05 s LYS 35 Ca 0.00 0.42 -0.30 0.00 0.02 0.00 0.00 55.97 56.11 1x05 s LYS 35 Cb 0.00 -0.23 -0.09 0.00 -0.52 0.00 0.00 37.83 36.99 1x05 s LYS 35 CO 0.00 -0.22 1.24 0.08 -0.92 0.00 0.00 175.35 175.54 1x05 s VAL 36 N 1.55 3.20 -0.00 3.17 1.01 -1.26 -2.51 120.40 125.54 1x05 s VAL 36 Ca -0.05 1.09 -0.16 0.00 0.00 0.00 0.00 61.98 62.86 1x05 s VAL 36 Cb -0.12 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.59 1x05 s VAL 36 CO -0.06 0.21 0.35 -0.60 0.00 0.00 0.00 175.10 175.01 1x05 s ARG 37 N -0.90 0.75 0.01 2.72 6.06 0.19 -4.74 118.95 123.04 1x05 s ARG 37 Ca 0.51 -0.22 -0.21 0.00 -2.50 0.00 0.00 55.73 53.31 1x05 s ARG 37 Cb -0.36 0.33 -0.05 0.00 0.06 0.00 0.00 34.95 34.93 1x05 s ARG 37 CO 0.43 -0.22 0.63 0.21 -2.50 0.00 0.00 175.30 173.84 1x05 s LYS 38 N -1.62 4.35 -0.10 5.12 2.20 -0.73 0.18 119.74 129.13 1x05 s LYS 38 Ca -0.11 0.80 -0.00 0.00 -0.36 0.00 0.00 55.97 56.29 1x05 s LYS 38 Cb -0.04 -3.34 0.02 0.00 -1.51 0.00 0.00 37.83 32.97 1x05 s LYS 38 CO 0.03 0.36 -0.07 -0.06 -0.36 0.00 0.00 175.35 175.25 1x05 s PHE 39 N -0.21 1.40 -0.13 4.03 0.40 0.20 -1.17 117.98 122.49 1x05 s PHE 39 Ca 0.32 -0.67 -0.00 0.00 -0.60 0.00 0.00 56.93 55.98 1x05 s PHE 39 Cb -0.19 -1.17 -0.02 0.00 0.51 0.00 0.00 43.02 42.15 1x05 s PHE 39 CO 0.18 -0.48 -0.12 0.42 0.70 0.00 0.00 175.22 175.93 1x05 s ILE 40 N 1.65 3.20 -0.12 0.64 1.01 0.40 -2.89 121.20 125.09 1x05 s ILE 40 Ca 0.03 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 60.05 1x05 s ILE 40 Cb -0.13 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 1x05 s ILE 40 CO -0.07 0.52 -0.03 -0.22 0.00 0.00 0.00 174.94 175.15 1x05 s LEU 41 N 0.27 3.37 -0.04 2.97 2.96 -0.85 -0.32 118.68 127.04 1x05 s LEU 41 Ca -0.08 -0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 53.81 1x05 s LEU 41 Cb -0.15 -1.79 0.03 0.00 0.50 0.00 0.00 46.19 44.78 1x05 s LEU 41 CO 0.05 0.28 0.06 0.00 -1.32 0.00 0.00 176.35 175.42 1x05 s ARG 42 N -0.27 -0.04 -0.07 1.98 3.03 -0.74 -2.39 118.95 120.45 1x05 s ARG 42 Ca 0.05 0.31 -0.06 0.00 2.03 0.00 0.00 55.73 58.06 1x05 s ARG 42 Cb -0.12 -0.35 -0.04 0.00 -1.03 0.00 0.00 34.95 33.40 1x05 s ARG 42 CO 0.02 -0.24 0.17 -1.83 -1.13 0.00 0.00 175.30 172.29 1x05 s GLU 43 N 1.61 3.46 -0.54 3.89 -1.05 -1.17 -1.07 118.70 123.83 1x05 s GLU 43 Ca -0.03 -0.17 -0.13 0.00 -0.15 0.00 0.00 54.97 54.49 1x05 s GLU 43 Cb -0.12 -3.15 0.02 0.00 -0.44 0.00 0.00 34.13 30.43 1x05 s GLU 43 CO -0.03 0.74 0.64 -0.25 0.95 0.00 0.00 175.26 177.30 1x05 n ASP 44 N 1.58 -7.58 -4.79 0.83 8.00 -1.26 -3.62 116.55 109.71 1x05 n ASP 44 Ca -0.16 0.24 -0.29 0.00 0.71 0.00 0.00 54.79 55.29 1x05 n ASP 44 Cb 0.54 -4.90 0.13 0.00 -0.02 0.00 0.00 41.12 36.87 1x05 n ASP 44 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1x05 s PRO 45 N -2.81 1.16 -0.58 -0.24 0.04 -1.16 -2.61 135.00 128.79 1x05 s PRO 45 Ca 0.18 0.29 -0.18 0.00 0.04 0.00 0.00 61.00 61.33 1x05 s PRO 45 Cb -0.04 -1.84 0.12 0.00 0.04 0.00 0.00 34.50 32.77 1x05 s PRO 45 CO 0.78 -2.19 0.64 0.00 0.04 0.00 0.00 177.00 176.27 1x05 s ALA 46 N -3.28 3.51 0.19 8.56 0.00 -1.25 -4.71 121.76 124.79 1x05 s ALA 46 Ca 0.64 -2.37 -0.10 0.00 0.00 0.00 0.00 51.96 50.13 1x05 s ALA 46 Cb -0.15 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 1x05 s ALA 46 CO 0.53 -2.24 0.33 0.71 0.00 0.00 0.00 175.76 175.10 1x05 s TYR 47 N 2.24 0.43 -0.18 0.00 2.02 -0.23 -2.44 117.35 119.19 1x05 s TYR 47 Ca 0.09 -0.78 -0.02 0.00 -0.37 0.00 0.00 57.07 55.99 1x05 s TYR 47 Cb -0.26 -0.02 0.05 0.00 -0.40 0.00 0.00 41.96 41.34 1x05 s TYR 47 CO 0.05 -0.79 0.00 -1.17 -1.57 0.00 0.00 175.55 172.07 1x05 s LEU 48 N -2.99 1.36 -0.16 -1.29 1.98 -1.11 -1.79 118.68 114.69 1x05 s LEU 48 Ca 0.20 -0.74 -0.04 0.00 -2.89 0.00 0.00 54.13 50.66 1x05 s LEU 48 Cb 0.02 -0.71 -0.03 0.00 0.66 0.00 0.00 46.19 46.14 1x05 s LEU 48 CO 0.03 -0.26 -0.04 -1.00 -1.89 0.00 0.00 176.35 173.19 1x05 s HIS 49 N 1.77 3.01 -0.18 5.38 3.76 0.56 -1.55 115.29 128.06 1x05 s HIS 49 Ca -0.00 -0.35 0.01 0.00 -0.15 0.00 0.00 55.06 54.57 1x05 s HIS 49 Cb -0.16 -1.97 0.01 0.00 1.11 0.00 0.00 32.58 31.57 1x05 s HIS 49 CO -0.07 -0.07 -0.18 1.52 -0.85 0.00 0.00 174.74 175.08 1x05 s TYR 50 N 0.44 2.78 0.11 1.40 1.13 -1.21 0.15 117.35 122.16 1x05 s TYR 50 Ca -0.04 -1.50 0.05 0.00 -1.41 0.00 0.00 57.07 54.17 1x05 s TYR 50 Cb -0.14 -1.92 -0.04 0.00 -1.10 0.00 0.00 41.96 38.76 1x05 s TYR 50 CO 0.03 -0.73 0.05 0.71 -2.51 0.00 0.00 175.55 173.09 1x05 s TYR 51 N 1.21 3.06 0.29 -3.49 1.51 -0.32 -1.39 117.35 118.22 1x05 s TYR 51 Ca 0.03 -0.01 -0.30 0.00 -1.01 0.00 0.00 57.07 55.78 1x05 s TYR 51 Cb -0.14 -1.54 -0.12 0.00 -0.11 0.00 0.00 41.96 40.06 1x05 s TYR 51 CO -0.10 0.50 1.55 -3.47 -1.11 0.00 0.00 175.55 172.93 1x05 n ASP 52 N 0.27 3.66 -0.02 2.29 -0.08 -1.26 -1.78 116.55 119.62 1x05 n ASP 52 Ca -0.09 1.15 -0.15 0.00 -1.51 0.00 0.00 54.79 54.19 1x05 n ASP 52 Cb 0.53 -1.57 -0.11 0.00 2.34 0.00 0.00 41.12 42.31 1x05 n ASP 52 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1x05 h PRO 53 N 4.48 0.23 -1.18 -0.67 0.13 -1.92 -3.17 132.00 129.90 1x05 h PRO 53 Ca -0.47 -0.22 0.34 0.00 -0.87 0.00 0.00 66.00 64.78 1x05 h PRO 53 Cb 1.24 0.06 -0.08 0.00 0.13 0.00 0.00 31.00 32.34 1x05 h PRO 53 CO 0.77 0.92 0.81 0.00 -0.23 0.00 0.00 178.00 180.27 1x05 h ALA 54 N 0.31 2.75 0.00 -0.56 0.00 -1.93 -3.45 119.26 116.39 1x05 h ALA 54 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x05 h ALA 54 Cb 1.01 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1x05 h ALA 54 CO 0.06 -1.16 0.00 0.41 0.00 0.00 0.00 179.25 178.55 1x05 n GLY 55 N -1.62 4.52 0.00 0.00 0.00 -1.20 -5.20 105.19 101.69 1x05 n GLY 55 Ca 0.28 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.65 0.00 0.04 4.61 0.00 -1.26 -4.71 120.51 117.54 1x05 n ALA 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x05 n ALA 56 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1x05 n ALA 56 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1x05 n GLU 57 N -0.05 0.00 -2.84 0.00 2.13 -1.26 -4.99 120.64 113.64 1x05 n GLU 57 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 1x05 n GLU 57 Cb 0.00 -0.28 -0.02 0.00 0.27 0.00 0.00 31.44 31.41 1x05 n GLU 57 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 1x05 s ASP 58 N -5.51 6.43 0.26 4.31 1.47 -1.26 -5.05 116.67 117.33 1x05 s ASP 58 Ca 0.00 1.02 -0.30 0.00 1.18 0.00 0.00 52.55 54.45 1x05 s ASP 58 Cb 0.00 -2.28 -0.09 0.00 -0.34 0.00 0.00 42.92 40.21 1x05 s ASP 58 CO 0.00 -0.43 1.09 -2.16 0.68 0.00 0.00 175.17 174.34 1x05 s PRO 59 N -4.11 4.65 0.48 2.11 0.04 -1.26 -4.72 135.00 132.19 1x05 s PRO 59 Ca 0.49 1.77 0.20 0.00 0.04 0.00 0.00 61.00 63.50 1x05 s PRO 59 Cb -0.10 -3.21 1.22 0.00 0.04 0.00 0.00 34.50 32.45 1x05 s PRO 59 CO 0.36 0.22 1.97 -0.07 0.04 0.00 0.00 177.00 179.52 1x05 h LEU 60 N 4.02 0.19 0.00 -3.56 3.38 -1.60 -3.46 115.31 114.28 1x05 h LEU 60 Ca -0.46 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1x05 h LEU 60 Cb 1.21 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1x05 h LEU 60 CO 0.68 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.92 1x05 n GLY 61 N -1.58 -1.33 3.31 0.83 0.00 -1.26 -5.06 105.19 100.11 1x05 n GLY 61 Ca 0.11 -0.96 -0.16 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.45 1.74 -0.13 4.61 0.00 -1.26 -3.30 121.76 121.97 1x05 s ALA 62 Ca 0.00 -1.73 -0.02 0.00 0.00 0.00 0.00 51.96 50.21 1x05 s ALA 62 Cb 0.00 0.49 0.04 0.00 0.00 0.00 0.00 23.12 23.65 1x05 s ALA 62 CO 0.00 -0.26 -0.01 0.42 0.00 0.00 0.00 175.76 175.92 1x05 s ILE 63 N -3.45 0.62 0.06 0.00 1.01 -0.59 -4.93 121.20 113.91 1x05 s ILE 63 Ca 0.28 -0.26 -0.35 0.00 0.00 0.00 0.00 60.65 60.32 1x05 s ILE 63 Cb 0.06 -0.87 -0.14 0.00 0.01 0.00 0.00 42.46 41.52 1x05 s ILE 63 CO 0.08 0.11 1.64 1.57 0.00 0.00 0.00 174.94 178.34 1x05 n HIS 64 N 5.05 2.17 -0.04 3.97 -0.00 -1.26 -2.73 115.22 122.38 1x05 n HIS 64 Ca -0.09 0.26 -0.04 0.00 0.46 0.00 0.00 57.72 58.31 1x05 n HIS 64 Cb 0.49 -2.54 -0.06 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 4.29 0.07 -0.30 0.27 4.77 -1.02 -4.28 117.00 120.80 1x05 n LEU 65 Ca 0.19 -0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.28 1x05 n LEU 65 Cb 0.27 0.16 0.22 0.00 -2.33 0.00 0.00 43.42 41.74 1x05 n LEU 65 CO 0.67 0.18 0.66 0.54 -1.33 0.00 0.00 177.39 178.11 1x05 n ARG 66 N -2.27 -0.07 -2.90 3.23 1.74 -1.19 -1.07 116.66 114.13 1x05 n ARG 66 Ca -0.12 1.31 -0.22 0.00 -0.77 0.00 0.00 57.85 58.06 1x05 n ARG 66 Cb 0.73 -2.05 -0.02 0.00 -1.02 0.00 0.00 32.46 30.10 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 -1.46 4.52 3.91 -0.13 0.00 -1.26 -4.88 105.19 105.89 1x05 n GLY 67 Ca 0.19 -2.25 -0.25 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.74 0.52 -0.04 0.00 1.01 0.62 -4.90 120.40 114.87 1x05 s VAL 69 Ca 0.38 -1.31 0.06 0.00 0.00 0.00 0.00 61.98 61.11 1x05 s VAL 69 Cb -0.02 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 1x05 s VAL 69 CO 0.23 -0.54 -0.21 -0.69 0.00 0.00 0.00 175.10 173.89 1x05 s VAL 70 N -2.06 2.45 0.30 2.92 1.01 -1.26 -1.23 120.40 122.53 1x05 s VAL 70 Ca -0.04 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 60.80 1x05 s VAL 70 Cb -0.05 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.45 1x05 s VAL 70 CO -0.01 0.58 0.70 0.28 0.00 0.00 0.00 175.10 176.65 1x05 s THR 71 N -0.59 0.00 0.16 3.92 -1.32 -0.12 -4.97 115.64 112.72 1x05 s THR 71 Ca 0.09 -1.06 0.10 0.00 -1.21 0.00 0.00 61.69 59.60 1x05 s THR 71 Cb -0.11 -2.26 -0.04 0.00 -1.51 0.00 0.00 72.50 68.59 1x05 s THR 71 CO 0.00 0.00 -0.18 -0.44 -2.21 0.00 0.00 174.62 171.79 1x05 s SER 72 N -2.98 3.82 0.23 8.08 0.01 -1.26 -1.78 113.70 119.82 1x05 s SER 72 Ca 0.14 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.73 1x05 s SER 72 Cb -0.05 -0.49 0.00 0.00 0.21 0.00 0.00 66.02 65.69 1x05 s SER 72 CO 0.09 0.14 0.00 1.33 0.41 0.00 0.00 173.24 175.21 1x05 n VAL 73 N 0.43 0.00 -1.99 3.43 0.24 -1.23 -4.54 118.33 114.67 1x05 n VAL 73 Ca -0.13 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.21 1x05 n VAL 73 Cb 0.54 -1.07 0.10 0.00 -1.47 0.00 0.00 33.84 31.94 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 -0.33 0.69 -1.62 7.34 0.28 -1.26 -4.99 120.64 120.75 1x05 n GLU 74 Ca 0.00 -2.43 -0.42 0.00 -0.16 0.00 0.00 57.16 54.15 1x05 n GLU 74 Cb 0.00 -0.78 0.01 0.00 1.43 0.00 0.00 31.44 32.10 1x05 n GLU 74 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1x05 n SER 75 N -0.31 1.43 -3.15 -1.84 2.88 -1.26 -4.99 113.62 106.38 1x05 n SER 75 Ca 0.11 1.07 0.04 0.00 -1.33 0.00 0.00 58.87 58.76 1x05 n SER 75 Cb 0.89 -1.36 -0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1x05 n SER 75 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1x05 s ASN 76 N -0.67 -1.34 0.00 -3.46 -0.87 -1.26 -5.12 114.94 102.21 1x05 s ASN 76 Ca 0.62 0.40 0.00 0.00 -1.57 0.00 0.00 52.86 52.30 1x05 s ASN 76 Cb -0.57 1.95 0.00 0.00 -0.02 0.00 0.00 41.25 42.60 1x05 s ASN 76 CO 0.58 -0.25 0.00 -0.24 -2.57 0.00 0.00 177.10 174.62 1x05 n SER 77 N 5.39 0.00 -3.64 -1.22 2.88 -1.26 -5.15 113.62 110.63 1x05 n SER 77 Ca 0.03 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.52 1x05 n SER 77 Cb 0.53 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.93 1x05 n SER 77 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1x05 s ASN 78 N 0.00 -0.80 0.00 -3.46 0.01 -1.26 -5.01 114.94 104.42 1x05 s ASN 78 Ca 0.00 1.27 0.00 0.00 -0.71 0.00 0.00 52.86 53.42 1x05 s ASN 78 Cb 0.00 1.35 0.00 0.00 0.41 0.00 0.00 41.25 43.01 1x05 s ASN 78 CO 0.00 -0.20 0.00 0.61 -1.51 0.00 0.00 177.10 176.00 1x05 n GLY 79 N 4.15 1.63 0.07 0.66 0.00 -1.26 -5.08 105.19 105.36 1x05 n GLY 79 Ca -0.19 0.31 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 1x05 n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x05 n ARG 80 N 0.00 0.40 -0.86 1.61 5.12 -1.26 -5.01 116.66 116.66 1x05 n ARG 80 Ca 0.00 0.20 -0.24 0.00 -1.93 0.00 0.00 57.85 55.87 1x05 n ARG 80 Cb 0.00 -1.25 0.20 0.00 -1.16 0.00 0.00 32.46 30.26 1x05 n ARG 80 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1x05 n LYS 81 N -4.02 -2.72 -3.71 5.56 4.81 -1.26 -5.04 118.16 111.78 1x05 n LYS 81 Ca -0.10 -1.43 -0.30 0.00 -0.87 0.00 0.00 58.31 55.61 1x05 n LYS 81 Cb 0.38 -1.33 -0.15 0.00 0.02 0.00 0.00 35.03 33.96 1x05 n LYS 81 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1x05 s SER 82 N -3.93 3.90 -0.02 3.14 0.01 -1.26 -4.99 113.70 110.56 1x05 s SER 82 Ca 0.58 -1.80 -0.03 0.00 1.31 0.00 0.00 55.95 56.00 1x05 s SER 82 Cb -0.06 -0.85 -0.02 0.00 0.21 0.00 0.00 66.02 65.31 1x05 s SER 82 CO 0.44 -0.39 0.35 -0.33 0.41 0.00 0.00 173.24 173.72 1x05 h GLU 83 N 7.84 -0.12 -3.51 12.44 4.39 -1.96 -3.46 114.58 130.20 1x05 h GLU 83 Ca -0.11 0.01 -0.37 0.00 0.34 0.00 0.00 59.36 59.22 1x05 h GLU 83 Cb 1.00 0.03 -0.37 0.00 -0.10 0.00 0.00 28.75 29.30 1x05 h GLU 83 CO 0.46 -0.08 -0.75 -1.21 -1.16 0.00 0.00 179.01 176.28 1x05 s GLU 84 N -1.98 0.17 0.00 2.33 2.02 -1.26 -5.11 118.70 114.87 1x05 s GLU 84 Ca -0.02 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.21 1x05 s GLU 84 Cb 0.00 -0.59 0.00 0.00 0.10 0.00 0.00 34.13 33.64 1x05 s GLU 84 CO 0.05 -0.27 0.00 0.39 0.02 0.00 0.00 175.26 175.45 1x05 n GLU 85 N 4.92 3.04 -2.49 1.61 1.02 -1.26 -4.93 120.64 122.56 1x05 n GLU 85 Ca -0.11 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.61 1x05 n GLU 85 Cb 0.50 0.00 -0.03 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 -1.13 7.17 0.15 1.62 0.01 -1.26 -4.97 114.94 116.53 1x05 s ASN 86 Ca 0.00 1.97 -0.01 0.00 -0.71 0.00 0.00 52.86 54.12 1x05 s ASN 86 Cb 0.00 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 1x05 s ASN 86 CO 0.00 -0.38 0.06 -0.76 -1.51 0.00 0.00 177.10 174.51 1x05 s LEU 87 N 0.74 1.72 -0.12 0.60 1.43 -1.26 -0.91 118.68 120.88 1x05 s LEU 87 Ca 0.56 -1.24 -0.21 0.00 -1.03 0.00 0.00 54.13 52.21 1x05 s LEU 87 Cb -0.28 0.26 0.05 0.00 0.03 0.00 0.00 46.19 46.25 1x05 s LEU 87 CO 0.30 -0.73 0.52 0.72 0.23 0.00 0.00 176.35 177.40 1x05 s PHE 88 N -4.01 -0.51 -0.14 0.29 -0.12 -0.70 -3.52 117.98 109.27 1x05 s PHE 88 Ca 0.27 1.09 -0.08 0.00 -0.05 0.00 0.00 56.93 58.16 1x05 s PHE 88 Cb 0.07 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.65 1x05 s PHE 88 CO 0.04 -0.39 0.15 -2.00 -0.05 0.00 0.00 175.22 172.96 1x05 s GLU 89 N -0.47 3.64 -0.20 1.99 2.12 -0.74 -2.42 118.70 122.63 1x05 s GLU 89 Ca -0.06 -0.14 -0.01 0.00 0.36 0.00 0.00 54.97 55.13 1x05 s GLU 89 Cb -0.03 -3.25 0.06 0.00 0.26 0.00 0.00 34.13 31.17 1x05 s GLU 89 CO 0.04 0.66 -0.02 0.42 -0.54 0.00 0.00 175.26 175.81 1x05 s ILE 90 N -0.68 1.07 0.19 -3.70 1.01 -0.85 -0.95 121.20 117.30 1x05 s ILE 90 Ca 0.14 -0.84 -0.14 0.00 0.00 0.00 0.00 60.65 59.80 1x05 s ILE 90 Cb -0.12 -1.40 -0.07 0.00 0.01 0.00 0.00 42.46 40.87 1x05 s ILE 90 CO 0.03 -0.08 0.58 -0.63 0.00 0.00 0.00 174.94 174.84 1x05 s ILE 91 N 1.61 4.83 0.48 2.92 1.01 -0.37 -2.45 121.20 129.24 1x05 s ILE 91 Ca -0.03 0.80 0.05 0.00 0.00 0.00 0.00 60.65 61.48 1x05 s ILE 91 Cb -0.17 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 1x05 s ILE 91 CO -0.07 0.13 0.25 0.42 0.00 0.00 0.00 174.94 175.67 1x05 s THR 92 N -1.59 1.87 0.35 2.92 -4.23 -0.73 0.23 115.64 114.45 1x05 s THR 92 Ca 0.42 -1.65 0.34 0.00 -1.18 0.00 0.00 61.69 59.62 1x05 s THR 92 Cb -0.14 -2.51 0.34 0.00 1.34 0.00 0.00 72.50 71.53 1x05 s THR 92 CO 0.20 0.00 2.03 0.00 -0.54 0.00 0.00 174.62 176.31 1x05 h ALA 93 N 1.12 1.05 -0.01 3.99 0.00 -1.03 1.21 119.26 125.59 1x05 h ALA 93 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 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 0.65 -0.05 -0.32 -0.25 0.00 0.00 0.00 179.25 179.28 1x05 n ASP 94 N -2.73 1.15 0.00 0.00 8.00 -1.26 -4.91 116.55 116.80 1x05 n ASP 94 Ca -0.02 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.52 1x05 n ASP 94 Cb 0.11 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 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 -0.61 0.00 -1.95 -1.24 1.02 0.42 -4.99 120.64 113.29 1x05 n GLU 95 Ca 0.11 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.83 1x05 n GLU 95 Cb 0.37 -2.52 -0.03 0.00 -0.02 0.00 0.00 31.44 29.23 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 -3.20 2.67 -0.13 2.62 1.01 -1.26 -4.60 120.40 117.51 1x05 s VAL 96 Ca 0.00 0.48 -0.06 0.00 0.00 0.00 0.00 61.98 62.40 1x05 s VAL 96 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1x05 s VAL 96 CO 0.00 0.04 0.09 -1.00 0.00 0.00 0.00 175.10 174.23 1x05 s HIS 97 N 1.11 3.42 -0.12 5.22 3.76 -1.26 -1.77 115.29 125.64 1x05 s HIS 97 Ca 0.69 0.35 -0.01 0.00 -0.15 0.00 0.00 55.06 55.94 1x05 s HIS 97 Cb -0.43 -1.96 0.04 0.00 1.11 0.00 0.00 32.58 31.33 1x05 s HIS 97 CO 0.31 0.51 -0.02 0.71 -0.85 0.00 0.00 174.74 175.41 1x05 s TYR 98 N -0.56 1.10 -0.44 1.40 2.02 -1.03 -4.94 117.35 114.90 1x05 s TYR 98 Ca 0.11 -0.60 -0.15 0.00 -0.37 0.00 0.00 57.07 56.06 1x05 s TYR 98 Cb -0.12 -1.03 0.05 0.00 -0.40 0.00 0.00 41.96 40.46 1x05 s TYR 98 CO 0.02 -0.48 0.34 -0.06 -1.57 0.00 0.00 175.55 173.80 1x05 s PHE 99 N 1.83 3.24 0.12 2.71 0.08 -1.26 -2.00 117.98 122.71 1x05 s PHE 99 Ca 0.03 -0.79 0.06 0.00 0.12 0.00 0.00 56.93 56.35 1x05 s PHE 99 Cb -0.14 -2.89 -0.04 0.00 -0.57 0.00 0.00 43.02 39.38 1x05 s PHE 99 CO -0.07 -0.70 -0.04 -0.51 -0.10 0.00 0.00 175.22 173.80 1x05 s LEU 100 N 1.65 3.26 -0.16 -0.37 2.01 -1.01 -1.76 118.68 122.30 1x05 s LEU 100 Ca 0.04 -0.32 -0.03 0.00 0.01 0.00 0.00 54.13 53.83 1x05 s LEU 100 Cb -0.22 -2.00 -0.02 0.00 0.01 0.00 0.00 46.19 43.96 1x05 s LEU 100 CO 0.08 0.15 -0.04 -1.58 1.01 0.00 0.00 176.35 175.97 1x05 s GLN 101 N -2.44 3.62 0.08 1.70 0.74 -1.10 -1.72 119.66 120.54 1x05 s GLN 101 Ca 0.24 -0.54 -0.08 0.00 0.05 0.00 0.00 55.36 55.03 1x05 s GLN 101 Cb -0.11 -2.90 -0.06 0.00 1.10 0.00 0.00 33.01 31.04 1x05 s GLN 101 CO 0.17 0.19 0.37 0.00 -0.55 0.00 0.00 175.29 175.47 1x05 s ALA 102 N 0.48 3.76 0.02 1.58 0.00 -0.09 -3.59 121.76 123.91 1x05 s ALA 102 Ca -0.04 -0.45 -0.14 0.00 0.00 0.00 0.00 51.96 51.33 1x05 s ALA 102 Cb -0.14 -2.20 -0.08 0.00 0.00 0.00 0.00 23.12 20.69 1x05 s ALA 102 CO 0.03 0.60 1.05 0.00 0.00 0.00 0.00 175.76 177.44 1x05 h ALA 103 N 3.60 -0.98 -2.16 0.00 0.00 -1.89 -3.38 119.26 114.45 1x05 h ALA 103 Ca -0.49 -0.11 -0.47 0.00 0.00 0.00 0.00 54.91 53.84 1x05 h ALA 103 Cb 1.19 0.20 0.02 0.00 0.00 0.00 0.00 17.79 19.20 1x05 h ALA 103 CO 0.67 -0.94 -0.10 0.95 0.00 0.00 0.00 179.25 179.83 1x05 s THR 104 N -3.82 4.52 -0.67 0.00 -4.23 -1.26 -4.86 115.64 105.31 1x05 s THR 104 Ca -0.07 -0.39 0.24 0.00 -1.18 0.00 0.00 61.69 60.29 1x05 s THR 104 Cb 0.01 -3.67 0.25 0.00 1.34 0.00 0.00 72.50 70.43 1x05 s THR 104 CO 0.22 -0.48 1.74 -0.81 -0.54 0.00 0.00 174.62 174.75 1x05 n PRO 105 N -2.00 0.19 0.02 3.99 -0.04 -1.26 -2.55 135.00 133.34 1x05 n PRO 105 Ca -0.01 0.29 -0.05 0.00 -0.04 0.00 0.00 63.50 63.68 1x05 n PRO 105 Cb 0.57 -1.78 -0.11 0.00 -0.04 0.00 0.00 33.50 32.14 1x05 n PRO 105 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1x05 h LYS 106 N 0.00 0.00 -0.01 0.54 3.64 -1.98 -3.35 116.57 115.41 1x05 h LYS 106 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1x05 h LYS 106 Cb 0.52 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1x05 h LYS 106 CO 0.00 0.53 -0.01 1.49 -2.27 0.00 0.00 179.45 179.19 1x05 h GLU 107 N 0.00 0.03 -0.88 1.90 4.81 -1.89 -1.15 114.58 117.40 1x05 h GLU 107 Ca -0.19 -0.01 0.24 0.00 -0.13 0.00 0.00 59.36 59.27 1x05 h GLU 107 Cb 1.82 -0.00 -0.14 0.00 0.63 0.00 0.00 28.75 31.05 1x05 h GLU 107 CO 0.08 0.44 0.21 -0.09 -0.73 0.00 0.00 179.01 178.92 1x05 h ARG 108 N -0.38 0.17 0.10 1.92 2.43 -1.68 0.56 114.38 117.50 1x05 h ARG 108 Ca 0.00 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1x05 h ARG 108 Cb 0.43 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1x05 h ARG 108 CO 0.00 0.12 -0.05 1.15 -1.51 0.00 0.00 179.97 179.68 1x05 h THR 109 N 0.18 1.12 -0.41 0.20 2.02 -1.67 -2.92 112.91 111.42 1x05 h THR 109 Ca 0.55 -1.10 0.08 0.00 0.77 0.00 0.00 66.41 66.72 1x05 h THR 109 Cb 1.12 1.79 -0.09 0.00 -1.74 0.00 0.00 68.15 69.23 1x05 h THR 109 CO -0.68 0.25 -0.27 -0.33 0.37 0.00 0.00 175.52 174.86 1x05 h GLU 110 N -0.67 -0.19 -0.29 6.66 5.08 0.31 -0.88 114.58 124.60 1x05 h GLU 110 Ca -0.01 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1x05 h GLU 110 Cb 0.52 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.75 1x05 h GLU 110 CO 0.02 -0.13 -0.50 -1.49 -1.00 0.00 0.00 179.01 175.92 1x05 h TRP 111 N -0.20 -1.52 -0.46 4.33 4.06 -0.04 1.63 115.95 123.75 1x05 h TRP 111 Ca 0.19 0.07 0.04 0.00 2.06 0.00 0.00 58.89 61.25 1x05 h TRP 111 Cb 0.50 0.70 -0.06 0.00 -1.00 0.00 0.00 29.16 29.30 1x05 h TRP 111 CO -0.50 -0.46 -0.31 0.82 -3.56 0.00 0.00 178.44 174.43 1x05 h ILE 112 N -0.42 0.00 -0.73 1.49 2.04 -1.05 1.56 117.51 120.40 1x05 h ILE 112 Ca 0.05 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.07 1x05 h ILE 112 Cb 0.56 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.60 1x05 h ILE 112 CO -0.49 0.00 0.49 0.11 0.00 0.00 0.00 178.15 178.26 1x05 h LYS 113 N -0.05 0.32 0.70 2.37 1.57 -0.25 0.34 116.57 121.57 1x05 h LYS 113 Ca 0.07 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1x05 h LYS 113 Cb 0.24 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.49 1x05 h LYS 113 CO -0.46 0.21 -0.34 0.00 -0.57 0.00 0.00 179.45 178.29 1x05 h ALA 114 N 1.66 -0.94 -0.77 3.86 0.00 1.27 0.39 119.26 124.72 1x05 h ALA 114 Ca 0.36 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1x05 h ALA 114 Cb 0.92 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 1x05 h ALA 114 CO -0.10 -0.97 0.47 0.82 0.00 0.00 0.00 179.25 179.48 1x05 h ILE 115 N -1.05 1.05 0.07 0.00 2.04 0.20 -2.17 117.51 117.65 1x05 h ILE 115 Ca -0.10 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.47 1x05 h ILE 115 Cb 0.75 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1x05 h ILE 115 CO 0.16 0.16 -0.11 1.56 0.00 0.00 0.00 178.15 179.92 1x05 h GLN 116 N 0.89 -0.21 -0.83 2.37 4.20 -0.19 0.61 115.11 121.95 1x05 h GLN 116 Ca 0.33 0.01 0.19 0.00 0.06 0.00 0.00 58.65 59.24 1x05 h GLN 116 Cb 0.11 0.05 -0.12 0.00 0.30 0.00 0.00 27.48 27.82 1x05 h GLN 116 CO -0.15 -0.14 0.30 1.98 -0.67 0.00 0.00 178.83 180.15 1x05 h MET 117 N -0.22 0.35 0.28 1.46 1.85 0.39 1.40 114.93 120.44 1x05 h MET 117 Ca 0.02 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.07 1x05 h MET 117 Cb 0.23 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.18 1x05 h MET 117 CO -0.06 0.23 -0.13 0.00 -0.40 0.00 0.00 176.91 176.55 1x05 h ALA 118 N 1.66 -0.45 -1.22 0.39 0.00 -0.86 -3.20 119.26 115.58 1x05 h ALA 118 Ca 0.49 -0.08 0.35 0.00 0.00 0.00 0.00 54.91 55.67 1x05 h ALA 118 Cb 0.89 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 1x05 h ALA 118 CO -0.51 -0.42 0.85 0.66 0.00 0.00 0.00 179.25 179.83 1x05 h SER 119 N -0.90 0.14 -0.36 0.00 4.64 0.64 1.40 113.55 119.10 1x05 h SER 119 Ca -0.04 0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1x05 h SER 119 Cb 0.29 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1x05 h SER 119 CO 0.06 0.00 0.24 0.03 -0.87 0.00 0.00 176.83 176.30 1x05 h ARG 120 N 0.11 0.47 0.00 4.77 2.47 0.19 -3.43 114.38 118.96 1x05 h ARG 120 Ca 0.62 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.32 1x05 h ARG 120 Cb 2.22 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 30.43 1x05 h ARG 120 CO -0.12 0.31 0.00 0.25 0.56 0.00 0.00 179.97 180.97 1x05 n THR 121 N -4.48 0.00 -0.25 2.04 -2.24 0.48 -4.48 114.28 105.34 1x05 n THR 121 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1x05 n THR 121 Cb 0.07 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 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 1.75 0.17 3.38 0.00 -1.26 -5.02 105.19 104.20 1x05 n GLY 122 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.41 0.03 0.00 1.61 3.00 -1.26 -5.14 118.16 115.99 1x05 n LYS 123 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.17 1x05 n LYS 123 Cb 0.32 0.13 0.00 0.00 0.00 0.00 0.00 35.03 35.48 1x05 n LYS 123 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1x05 n SER 124 N -2.22 0.00 -4.98 3.14 3.41 -1.26 -5.06 113.62 106.65 1x05 n SER 124 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.41 1x05 n SER 124 Cb 0.03 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.00 1x05 n SER 124 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x05 s GLY 125 N 0.00 1.80 0.01 5.00 0.00 -1.26 -5.04 107.32 107.84 1x05 s GLY 125 Ca 0.00 -1.41 -0.20 0.00 0.00 0.00 0.00 44.72 43.12 1x05 s GLY 125 CO 0.00 -1.19 1.14 -0.56 0.00 0.00 0.00 173.10 172.49 1x05 h PRO 126 N 0.39 0.43 -1.60 2.90 0.13 -2.07 -3.50 132.00 128.68 1x05 h PRO 126 Ca -0.42 -0.41 0.17 0.00 -0.87 0.00 0.00 66.00 64.47 1x05 h PRO 126 Cb 1.28 0.11 -0.07 0.00 0.13 0.00 0.00 31.00 32.45 1x05 h PRO 126 CO 0.51 1.07 -0.44 0.45 -0.23 0.00 0.00 178.00 179.35 1x05 n SER 127 N -4.25 -4.07 -2.00 1.44 2.88 -1.26 -5.05 113.62 101.31 1x05 n SER 127 Ca -0.10 0.51 -0.01 0.00 -1.33 0.00 0.00 58.87 57.94 1x05 n SER 127 Cb 0.63 -2.22 -0.01 0.00 -0.75 0.00 0.00 64.21 61.86 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 -3.34 -5.09 0.00 -3.46 2.88 -1.26 -5.33 113.62 98.02 1x05 n SER 128 Ca -0.02 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1x05 n SER 128 Cb 0.32 -3.82 0.00 0.00 -0.75 0.00 0.00 64.21 59.96 1x05 n SER 128 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42