#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 -7.00 -4.20 1.61 2.88 -1.26 -5.01 113.62 100.65 1x05 n SER 2 Ca 0.00 -0.25 -0.29 0.00 -1.33 0.00 0.00 58.87 57.00 1x05 n SER 2 Cb 0.00 -4.29 -0.16 0.00 -0.75 0.00 0.00 64.21 59.01 1x05 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x05 s SER 3 N -2.92 2.65 -0.34 -3.46 0.01 -1.26 -5.09 113.70 103.29 1x05 s SER 3 Ca 0.03 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.86 1x05 s SER 3 Cb -0.01 -0.82 0.14 0.00 0.21 0.00 0.00 66.02 65.55 1x05 s SER 3 CO 0.79 0.19 0.30 -0.83 0.41 0.00 0.00 173.24 174.10 1x05 s GLY 4 N 0.02 0.19 -0.05 3.44 0.00 -1.26 -5.11 107.32 104.55 1x05 s GLY 4 Ca -0.06 -1.06 -0.01 0.00 0.00 0.00 0.00 44.72 43.59 1x05 s GLY 4 CO 0.04 2.52 0.01 -1.35 0.00 0.00 0.00 173.10 174.32 1x05 s SER 5 N 1.59 1.09 -0.77 1.64 1.04 -1.26 -5.09 113.70 111.94 1x05 s SER 5 Ca 0.15 -0.03 -0.23 0.00 0.48 0.00 0.00 55.95 56.32 1x05 s SER 5 Cb -0.17 -0.31 0.07 0.00 0.10 0.00 0.00 66.02 65.71 1x05 s SER 5 CO -0.11 -0.17 1.13 -0.94 0.98 0.00 0.00 173.24 174.13 1x05 s SER 6 N 1.66 6.28 0.00 7.02 1.04 -1.26 -4.86 113.70 123.58 1x05 s SER 6 Ca -0.01 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.36 1x05 s SER 6 Cb -0.13 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1x05 s SER 6 CO -0.03 -1.50 0.00 0.61 0.98 0.00 0.00 173.24 173.30 1x05 n GLY 7 N 5.56 -1.62 3.36 7.32 0.00 -1.26 -5.16 105.19 113.39 1x05 n GLY 7 Ca 0.07 -1.44 -0.18 0.00 0.00 0.00 0.00 46.02 44.46 1x05 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x05 s VAL 8 N -2.11 0.78 1.01 1.61 0.11 -1.26 -5.13 120.40 115.41 1x05 s VAL 8 Ca 0.00 -2.00 -0.16 0.00 -2.93 0.00 0.00 61.98 56.89 1x05 s VAL 8 Cb 0.00 -2.67 0.02 0.00 -1.53 0.00 0.00 36.38 32.20 1x05 s VAL 8 CO 0.00 -0.02 -0.02 -0.38 -3.33 0.00 0.00 175.10 171.35 1x05 n ILE 9 N -0.53 0.00 -3.95 7.04 -0.00 -1.26 -5.02 119.36 115.64 1x05 n ILE 9 Ca -0.01 -0.25 -0.09 0.00 -0.00 0.00 0.00 62.75 62.40 1x05 n ILE 9 Cb 0.66 -0.49 -0.09 0.00 -0.00 0.00 0.00 39.64 39.72 1x05 n ILE 9 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.55 176.33 1x05 s LEU 10 N 0.69 1.90 0.00 1.39 0.20 -1.26 -5.16 118.68 116.44 1x05 s LEU 10 Ca 0.53 -0.59 -0.11 0.00 0.69 0.00 0.00 54.13 54.65 1x05 s LEU 10 Cb -0.15 0.54 0.17 0.00 -0.43 0.00 0.00 46.19 46.31 1x05 s LEU 10 CO 0.69 -0.51 0.38 0.29 -0.29 0.00 0.00 176.35 176.91 1x05 n LYS 11 N 0.72 -2.10 0.00 1.98 5.02 -1.26 -4.94 118.16 117.58 1x05 n LYS 11 Ca -0.19 -0.64 0.05 0.00 -2.02 0.00 0.00 58.31 55.51 1x05 n LYS 11 Cb 0.59 -1.02 -0.03 0.00 -0.02 0.00 0.00 35.03 34.55 1x05 n LYS 11 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1x05 n GLU 12 N -2.54 2.83 0.00 1.97 0.28 -1.26 -4.35 120.64 117.57 1x05 n GLU 12 Ca 0.06 -0.34 0.13 0.00 -0.16 0.00 0.00 57.16 56.85 1x05 n GLU 12 Cb 0.26 -1.03 0.35 0.00 1.43 0.00 0.00 31.44 32.45 1x05 n GLU 12 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1x05 n GLU 13 N -0.68 1.37 -2.67 3.44 0.28 -1.26 -4.11 120.64 117.00 1x05 n GLU 13 Ca 0.03 -0.90 -0.08 0.00 -0.16 0.00 0.00 57.16 56.05 1x05 n GLU 13 Cb 0.19 -1.48 0.04 0.00 1.43 0.00 0.00 31.44 31.61 1x05 n GLU 13 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1x05 n PHE 14 N -0.03 1.50 -1.38 -1.84 3.72 -1.26 -4.79 117.46 113.39 1x05 n PHE 14 Ca 0.15 -2.48 0.07 0.00 -0.05 0.00 0.00 57.45 55.14 1x05 n PHE 14 Cb 0.40 -0.29 0.10 0.00 -0.94 0.00 0.00 39.48 38.75 1x05 n PHE 14 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1x05 n ARG 15 N -0.39 0.89 0.00 -1.08 -4.01 -1.26 -4.87 116.66 105.95 1x05 n ARG 15 Ca 0.13 -2.11 0.00 0.00 -1.04 0.00 0.00 57.85 54.83 1x05 n ARG 15 Cb 0.81 -1.19 0.00 0.00 -3.04 0.00 0.00 32.46 29.05 1x05 n ARG 15 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1x05 n GLY 16 N -0.98 2.69 3.17 2.89 0.00 -1.26 -4.89 105.19 106.82 1x05 n GLY 16 Ca 0.11 -1.33 -0.08 0.00 0.00 0.00 0.00 46.02 44.72 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 4.49 0.16 0.07 1.61 0.11 -1.25 -5.04 120.40 120.56 1x05 s VAL 17 Ca 0.00 -1.51 -0.10 0.00 -2.93 0.00 0.00 61.98 57.44 1x05 s VAL 17 Cb 0.00 -1.54 -0.06 0.00 -1.53 0.00 0.00 36.38 33.25 1x05 s VAL 17 CO 0.00 -0.71 0.40 -0.63 -3.33 0.00 0.00 175.10 170.83 1x05 s ILE 18 N -3.92 5.09 -0.12 7.04 -1.09 -1.26 -2.82 121.20 124.12 1x05 s ILE 18 Ca 0.09 0.48 0.00 0.00 -2.23 0.00 0.00 60.65 59.00 1x05 s ILE 18 Cb 0.06 -3.65 -0.08 0.00 -1.58 0.00 0.00 42.46 37.22 1x05 s ILE 18 CO -0.08 0.31 -0.11 2.30 -1.23 0.00 0.00 174.94 176.13 1x05 n ILE 19 N 0.96 0.68 -3.73 2.92 -0.00 -0.88 -4.95 119.36 114.36 1x05 n ILE 19 Ca -0.08 -0.25 -0.14 0.00 -0.00 0.00 0.00 62.75 62.27 1x05 n ILE 19 Cb 0.52 -0.97 -0.08 0.00 -0.00 0.00 0.00 39.64 39.11 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 -2.24 0.72 0.07 6.28 2.20 -1.25 -5.07 119.74 120.45 1x05 s LYS 20 Ca -0.16 -0.14 -0.08 0.00 -0.36 0.00 0.00 55.97 55.23 1x05 s LYS 20 Cb 0.04 0.32 -0.00 0.00 -1.51 0.00 0.00 37.83 36.68 1x05 s LYS 20 CO 0.27 -0.20 0.18 -0.65 -0.36 0.00 0.00 175.35 174.58 1x05 s GLN 21 N -1.33 0.78 0.00 4.03 -0.21 -1.26 -2.14 119.66 119.54 1x05 s GLN 21 Ca -0.13 -0.88 0.00 0.00 0.02 0.00 0.00 55.36 54.37 1x05 s GLN 21 Cb -0.04 0.32 0.00 0.00 1.00 0.00 0.00 33.01 34.28 1x05 s GLN 21 CO 0.05 -0.24 0.00 0.41 -2.12 0.00 0.00 175.29 173.39 1x05 n GLY 22 N 0.17 -1.68 3.57 3.09 0.00 -1.19 -5.04 105.19 104.12 1x05 n GLY 22 Ca -0.16 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 1x05 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 s LEU 24 N -0.71 2.36 -0.56 0.00 1.43 0.49 -4.87 118.68 116.82 1x05 s LEU 24 Ca 0.11 -1.10 -0.15 0.00 -1.03 0.00 0.00 54.13 51.95 1x05 s LEU 24 Cb -0.11 -0.28 0.14 0.00 0.03 0.00 0.00 46.19 45.96 1x05 s LEU 24 CO 0.02 -0.42 0.51 -0.76 0.23 0.00 0.00 176.35 175.92 1x05 s LEU 25 N -3.21 6.18 -0.31 1.79 2.01 -1.25 0.28 118.68 124.17 1x05 s LEU 25 Ca 0.22 -1.87 -0.24 0.00 0.01 0.00 0.00 54.13 52.25 1x05 s LEU 25 Cb 0.04 -2.19 0.00 0.00 0.01 0.00 0.00 46.19 44.05 1x05 s LEU 25 CO 0.04 -0.82 0.80 -0.75 1.01 0.00 0.00 176.35 176.62 1x05 s LYS 26 N 1.46 3.94 0.05 1.70 2.20 -0.93 -3.20 119.74 124.97 1x05 s LYS 26 Ca 0.04 0.57 -0.16 0.00 -0.36 0.00 0.00 55.97 56.07 1x05 s LYS 26 Cb -0.28 -3.74 -0.06 0.00 -1.51 0.00 0.00 37.83 32.24 1x05 s LYS 26 CO 0.02 -0.71 0.48 -1.14 -0.36 0.00 0.00 175.35 173.64 1x05 s GLN 27 N 3.00 4.01 0.00 4.03 0.74 -1.22 -3.85 119.66 126.38 1x05 s GLN 27 Ca 0.33 0.52 0.00 0.00 0.05 0.00 0.00 55.36 56.25 1x05 s GLN 27 Cb -0.14 -3.18 0.00 0.00 1.10 0.00 0.00 33.01 30.79 1x05 s GLN 27 CO 0.13 0.64 0.00 0.41 -0.55 0.00 0.00 175.29 175.92 1x05 n GLY 28 N 1.61 0.24 1.64 2.59 0.00 -1.26 -4.75 105.19 105.26 1x05 n GLY 28 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -3.63 -0.05 1.61 -0.00 -1.26 -4.95 115.22 106.94 1x05 n HIS 29 Ca 0.00 0.94 -0.13 0.00 0.46 0.00 0.00 57.72 58.99 1x05 n HIS 29 Cb 0.00 2.52 -0.01 0.00 -0.12 0.00 0.00 29.99 32.38 1x05 n HIS 29 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1x05 h ARG 30 N 0.00 0.76 -6.84 1.57 2.47 -1.99 -3.44 114.38 106.92 1x05 h ARG 30 Ca 0.00 -0.49 -0.55 0.00 -1.26 0.00 0.00 59.98 57.68 1x05 h ARG 30 Cb 0.00 0.06 0.10 0.00 -1.65 0.00 0.00 29.97 28.49 1x05 h ARG 30 CO 0.00 1.12 0.70 0.54 0.56 0.00 0.00 179.97 182.89 1x05 n ARG 31 N -3.98 2.48 0.00 0.04 3.00 -1.26 -4.96 116.66 111.97 1x05 n ARG 31 Ca -0.04 0.87 0.00 0.00 -0.01 0.00 0.00 57.85 58.67 1x05 n ARG 31 Cb 0.63 -2.56 0.00 0.00 0.00 0.00 0.00 32.46 30.53 1x05 n ARG 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1x05 n LYS 32 N 0.86 0.00 0.00 5.56 0.00 -1.26 -4.83 118.16 118.49 1x05 n LYS 32 Ca 0.04 0.20 0.00 0.00 0.00 0.00 0.00 58.31 58.55 1x05 n LYS 32 Cb 0.37 -0.88 0.00 0.00 0.00 0.00 0.00 35.03 34.52 1x05 n LYS 32 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1x05 n ASN 33 N -1.10 -0.34 -1.67 3.14 5.15 -1.26 -5.05 115.26 114.13 1x05 n ASN 33 Ca 0.00 -0.38 0.00 0.00 -0.60 0.00 0.00 54.58 53.60 1x05 n ASN 33 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1x05 n ASN 33 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1x05 n TRP 34 N -1.41 -2.51 -3.63 1.20 7.02 -1.26 -4.84 117.44 112.01 1x05 n TRP 34 Ca 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.41 1x05 n TRP 34 Cb 0.00 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 28.81 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 -1.18 0.36 0.37 -0.99 1.02 -1.25 -5.02 119.74 113.04 1x05 s LYS 35 Ca 0.00 1.07 -0.28 0.00 0.02 0.00 0.00 55.97 56.78 1x05 s LYS 35 Cb 0.00 0.37 -0.10 0.00 -0.52 0.00 0.00 37.83 37.58 1x05 s LYS 35 CO 0.00 -0.27 1.37 0.08 -0.92 0.00 0.00 175.35 175.61 1x05 s VAL 36 N 2.65 2.44 0.04 3.17 1.01 -1.26 -2.18 120.40 126.28 1x05 s VAL 36 Ca -0.01 0.44 -0.22 0.00 0.00 0.00 0.00 61.98 62.19 1x05 s VAL 36 Cb -0.12 -3.27 0.05 0.00 0.00 0.00 0.00 36.38 33.03 1x05 s VAL 36 CO -0.14 0.10 0.51 -0.13 0.00 0.00 0.00 175.10 175.44 1x05 s ARG 37 N -2.00 1.02 -0.08 2.72 0.52 0.14 -4.60 118.95 116.67 1x05 s ARG 37 Ca 0.52 -0.24 -0.20 0.00 -0.52 0.00 0.00 55.73 55.29 1x05 s ARG 37 Cb -0.42 0.47 -0.04 0.00 0.52 0.00 0.00 34.95 35.47 1x05 s ARG 37 CO 0.56 -0.37 0.56 0.21 0.02 0.00 0.00 175.30 176.28 1x05 s LYS 38 N -2.42 4.35 -0.20 3.54 2.20 -0.62 0.18 119.74 126.77 1x05 s LYS 38 Ca -0.05 0.62 -0.00 0.00 -0.36 0.00 0.00 55.97 56.18 1x05 s LYS 38 Cb -0.01 -3.41 0.05 0.00 -1.51 0.00 0.00 37.83 32.95 1x05 s LYS 38 CO -0.02 0.20 -0.06 -0.06 -0.36 0.00 0.00 175.35 175.06 1x05 s PHE 39 N 0.43 2.02 -0.17 4.03 0.08 0.36 -1.12 117.98 123.62 1x05 s PHE 39 Ca 0.30 -1.40 -0.05 0.00 0.12 0.00 0.00 56.93 55.90 1x05 s PHE 39 Cb -0.16 -1.44 -0.03 0.00 -0.57 0.00 0.00 43.02 40.81 1x05 s PHE 39 CO 0.14 -0.70 -0.00 0.42 -0.10 0.00 0.00 175.22 174.98 1x05 s ILE 40 N 1.52 4.15 -0.12 0.64 1.01 0.17 -3.18 121.20 125.40 1x05 s ILE 40 Ca -0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 1x05 s ILE 40 Cb -0.17 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 1x05 s ILE 40 CO -0.07 0.47 -0.01 -0.22 0.00 0.00 0.00 174.94 175.11 1x05 s LEU 41 N 0.46 3.47 -0.04 2.97 2.96 -0.91 -0.83 118.68 126.77 1x05 s LEU 41 Ca -0.01 0.04 -0.00 0.00 -0.22 0.00 0.00 54.13 53.93 1x05 s LEU 41 Cb -0.14 -1.81 0.03 0.00 0.50 0.00 0.00 46.19 44.77 1x05 s LEU 41 CO 0.02 0.29 0.02 0.00 -1.32 0.00 0.00 176.35 175.36 1x05 s ARG 42 N -0.37 0.21 -0.04 1.98 1.70 -0.41 -2.07 118.95 119.96 1x05 s ARG 42 Ca 0.07 0.17 -0.03 0.00 -0.47 0.00 0.00 55.73 55.46 1x05 s ARG 42 Cb -0.12 -0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 33.69 1x05 s ARG 42 CO 0.02 -0.21 0.15 -1.83 -1.08 0.00 0.00 175.30 172.35 1x05 s GLU 43 N 1.44 3.35 -0.56 3.89 4.04 -1.13 -0.66 118.70 129.08 1x05 s GLU 43 Ca -0.04 -0.31 -0.11 0.00 0.04 0.00 0.00 54.97 54.55 1x05 s GLU 43 Cb -0.13 -3.07 0.01 0.00 0.02 0.00 0.00 34.13 30.97 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 1.30 -7.61 -4.79 0.83 2.03 -1.26 -3.87 116.55 103.17 1x05 n ASP 44 Ca -0.14 0.22 -0.29 0.00 0.52 0.00 0.00 54.79 55.10 1x05 n ASP 44 Cb 0.53 -4.96 0.13 0.00 -0.72 0.00 0.00 41.12 36.10 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 -2.83 1.25 -0.70 -0.67 0.04 -1.26 -4.04 135.00 126.79 1x05 s PRO 45 Ca 0.16 0.33 -0.19 0.00 0.04 0.00 0.00 61.00 61.34 1x05 s PRO 45 Cb -0.04 -1.85 0.12 0.00 0.04 0.00 0.00 34.50 32.77 1x05 s PRO 45 CO 0.78 -2.13 0.83 0.00 0.04 0.00 0.00 177.00 176.52 1x05 s ALA 46 N -3.27 3.45 0.10 8.56 0.00 -1.25 -4.72 121.76 124.63 1x05 s ALA 46 Ca 0.63 -2.43 -0.07 0.00 0.00 0.00 0.00 51.96 50.09 1x05 s ALA 46 Cb -0.15 -3.68 -0.01 0.00 0.00 0.00 0.00 23.12 19.28 1x05 s ALA 46 CO 0.53 -2.53 0.16 0.71 0.00 0.00 0.00 175.76 174.64 1x05 s TYR 47 N 2.54 0.32 -0.20 0.00 2.02 0.16 -2.43 117.35 119.77 1x05 s TYR 47 Ca 0.18 -0.76 -0.02 0.00 -0.37 0.00 0.00 57.07 56.11 1x05 s TYR 47 Cb -0.18 -0.15 0.06 0.00 -0.40 0.00 0.00 41.96 41.29 1x05 s TYR 47 CO 0.02 -0.55 0.00 -1.17 -1.57 0.00 0.00 175.55 172.27 1x05 s LEU 48 N -2.91 1.56 0.04 -1.29 1.98 -1.04 -1.28 118.68 115.73 1x05 s LEU 48 Ca 0.10 -0.87 0.02 0.00 -2.89 0.00 0.00 54.13 50.48 1x05 s LEU 48 Cb 0.05 -0.77 -0.04 0.00 0.66 0.00 0.00 46.19 46.09 1x05 s LEU 48 CO -0.07 -0.27 0.07 -1.00 -1.89 0.00 0.00 176.35 173.19 1x05 s HIS 49 N 1.72 3.22 0.06 5.38 3.76 -0.01 -0.13 115.29 129.29 1x05 s HIS 49 Ca -0.02 0.13 0.04 0.00 -0.15 0.00 0.00 55.06 55.06 1x05 s HIS 49 Cb -0.17 -1.67 -0.03 0.00 1.11 0.00 0.00 32.58 31.82 1x05 s HIS 49 CO -0.07 0.53 -0.11 1.52 -0.85 0.00 0.00 174.74 175.75 1x05 s TYR 50 N -1.29 0.98 0.03 1.40 1.13 -1.12 0.44 117.35 118.92 1x05 s TYR 50 Ca 0.26 -0.47 0.01 0.00 -1.41 0.00 0.00 57.07 55.46 1x05 s TYR 50 Cb -0.12 -0.56 -0.02 0.00 -1.10 0.00 0.00 41.96 40.16 1x05 s TYR 50 CO 0.18 -0.00 -0.06 0.71 -2.51 0.00 0.00 175.55 173.87 1x05 s TYR 51 N -1.31 0.51 0.34 -3.49 1.51 -0.27 -1.78 117.35 112.86 1x05 s TYR 51 Ca -0.05 -0.43 -0.29 0.00 -1.01 0.00 0.00 57.07 55.29 1x05 s TYR 51 Cb -0.10 -0.32 -0.11 0.00 -0.11 0.00 0.00 41.96 41.33 1x05 s TYR 51 CO 0.01 -0.10 1.48 0.34 -1.11 0.00 0.00 175.55 176.18 1x05 s ASP 52 N -1.29 6.43 -0.02 2.29 -1.08 -1.26 -1.59 116.67 120.15 1x05 s ASP 52 Ca -0.10 2.95 -0.23 0.00 -0.52 0.00 0.00 52.55 54.66 1x05 s ASP 52 Cb -0.09 -2.66 -0.22 0.00 -1.46 0.00 0.00 42.92 38.50 1x05 s ASP 52 CO -0.00 -0.82 1.09 1.55 0.52 0.00 0.00 175.17 177.51 1x05 h PRO 53 N 3.56 0.26 -1.73 4.34 0.13 -1.93 -3.16 132.00 133.47 1x05 h PRO 53 Ca -0.49 -0.25 0.50 0.00 -0.87 0.00 0.00 66.00 64.88 1x05 h PRO 53 Cb 1.23 0.07 -0.07 0.00 0.13 0.00 0.00 31.00 32.36 1x05 h PRO 53 CO 0.68 0.94 1.31 0.00 -0.23 0.00 0.00 178.00 180.71 1x05 h ALA 54 N 0.32 3.64 0.00 -0.56 0.00 -1.91 -3.44 119.26 117.31 1x05 h ALA 54 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1x05 h ALA 54 Cb 1.04 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1x05 h ALA 54 CO 0.07 -2.20 0.00 0.41 0.00 0.00 0.00 179.25 177.52 1x05 n GLY 55 N -1.87 4.23 3.90 0.00 0.00 -1.19 -5.19 105.19 105.06 1x05 n GLY 55 Ca 0.39 -1.18 -0.03 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.76 -1.58 -0.03 4.61 0.00 -1.26 -4.86 121.76 117.88 1x05 s ALA 56 Ca 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 51.96 51.55 1x05 s ALA 56 Cb 0.00 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 1x05 s ALA 56 CO 0.00 -1.07 -0.09 -1.91 0.00 0.00 0.00 175.76 172.70 1x05 n GLU 57 N -0.72 0.14 -3.99 0.00 2.13 -1.26 -5.03 120.64 111.92 1x05 n GLU 57 Ca -0.03 0.06 -0.28 0.00 0.66 0.00 0.00 57.16 57.57 1x05 n GLU 57 Cb 0.59 -0.73 -0.04 0.00 0.27 0.00 0.00 31.44 31.53 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 -5.72 6.03 0.38 4.31 -4.77 -1.26 -5.09 116.67 110.55 1x05 s ASP 58 Ca -0.09 0.10 -0.25 0.00 -3.30 0.00 0.00 52.55 49.02 1x05 s ASP 58 Cb 0.03 -1.75 -0.09 0.00 -1.09 0.00 0.00 42.92 40.02 1x05 s ASP 58 CO 0.11 0.11 1.06 -2.16 0.70 0.00 0.00 175.17 174.99 1x05 s PRO 59 N -2.87 4.24 0.18 2.11 0.04 -1.26 -4.79 135.00 132.65 1x05 s PRO 59 Ca 0.33 1.57 -0.13 0.00 0.04 0.00 0.00 61.00 62.80 1x05 s PRO 59 Cb -0.12 -2.65 0.11 0.00 0.04 0.00 0.00 34.50 31.88 1x05 s PRO 59 CO 0.26 -0.09 1.82 -0.07 0.04 0.00 0.00 177.00 178.97 1x05 h LEU 60 N 2.72 0.55 0.00 -3.56 -0.00 -1.74 -3.48 115.31 109.80 1x05 h LEU 60 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 1x05 h LEU 60 Cb 1.21 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 1x05 h LEU 60 CO 0.63 0.39 0.00 0.61 -0.00 0.00 0.00 178.44 180.07 1x05 n GLY 61 N -1.25 1.26 3.29 0.83 0.00 -1.26 -5.08 105.19 102.98 1x05 n GLY 61 Ca 0.04 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.11 -0.21 4.61 0.00 -1.26 -2.77 121.76 121.02 1x05 s ALA 62 Ca 0.00 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1x05 s ALA 62 Cb 0.00 0.71 0.03 0.00 0.00 0.00 0.00 23.12 23.86 1x05 s ALA 62 CO 0.00 -0.59 -0.16 0.42 0.00 0.00 0.00 175.76 175.43 1x05 s ILE 63 N -3.92 2.23 0.00 0.00 1.01 0.82 -4.95 121.20 116.39 1x05 s ILE 63 Ca 0.12 -1.11 -0.30 0.00 0.00 0.00 0.00 60.65 59.36 1x05 s ILE 63 Cb 0.04 -2.06 -0.08 0.00 0.01 0.00 0.00 42.46 40.37 1x05 s ILE 63 CO -0.05 0.35 1.91 -2.28 0.00 0.00 0.00 174.94 174.88 1x05 s HIS 64 N 1.25 1.42 -1.64 3.97 2.46 -1.26 -2.50 115.29 118.98 1x05 s HIS 64 Ca 0.01 -0.28 0.20 0.00 0.47 0.00 0.00 55.06 55.45 1x05 s HIS 64 Cb -0.15 -4.17 0.59 0.00 -0.13 0.00 0.00 32.58 28.72 1x05 s HIS 64 CO -0.10 -5.15 1.49 1.28 -2.47 0.00 0.00 174.74 169.79 1x05 n LEU 65 N 7.66 3.84 0.16 8.88 4.77 -1.02 -4.17 117.00 137.13 1x05 n LEU 65 Ca 0.20 -2.06 -0.15 0.00 -0.03 0.00 0.00 56.01 53.96 1x05 n LEU 65 Cb 0.42 -0.45 -0.09 0.00 -2.33 0.00 0.00 43.42 40.97 1x05 n LEU 65 CO 0.67 0.92 0.52 0.03 -1.33 0.00 0.00 177.39 178.19 1x05 h ARG 66 N 3.79 -0.74 -0.34 3.23 3.08 -1.86 -3.29 114.38 118.25 1x05 h ARG 66 Ca 0.00 0.05 -0.26 0.00 0.07 0.00 0.00 59.98 59.84 1x05 h ARG 66 Cb 1.00 0.17 -0.29 0.00 0.08 0.00 0.00 29.97 30.92 1x05 h ARG 66 CO 0.03 -0.49 -0.82 0.41 -1.07 0.00 0.00 179.97 178.03 1x05 n GLY 67 N -1.47 4.21 3.77 0.04 0.00 -1.26 -4.90 105.19 105.58 1x05 n GLY 67 Ca -0.09 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.00 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 -3.40 0.35 -0.05 0.00 1.01 0.50 -4.94 120.40 113.86 1x05 s VAL 69 Ca 0.70 -1.09 0.05 0.00 0.00 0.00 0.00 61.98 61.63 1x05 s VAL 69 Cb -0.09 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 1x05 s VAL 69 CO 0.54 -0.49 -0.19 -0.69 0.00 0.00 0.00 175.10 174.27 1x05 s VAL 70 N -1.68 2.68 0.33 2.92 1.01 -1.26 -0.77 120.40 123.63 1x05 s VAL 70 Ca -0.10 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 1x05 s VAL 70 Cb -0.08 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.30 1x05 s VAL 70 CO -0.01 0.58 0.60 0.28 0.00 0.00 0.00 175.10 176.55 1x05 s THR 71 N -0.54 0.00 0.31 3.92 -1.32 -0.68 -4.96 115.64 112.37 1x05 s THR 71 Ca 0.07 -1.31 0.10 0.00 -1.21 0.00 0.00 61.69 59.35 1x05 s THR 71 Cb -0.11 -2.55 -0.06 0.00 -1.51 0.00 0.00 72.50 68.27 1x05 s THR 71 CO 0.01 0.00 -0.11 -0.44 -2.21 0.00 0.00 174.62 171.87 1x05 s SER 72 N -3.10 3.83 0.05 8.08 0.01 -1.26 -2.40 113.70 118.91 1x05 s SER 72 Ca 0.22 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.43 1x05 s SER 72 Cb -0.02 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.80 1x05 s SER 72 CO 0.14 -0.10 0.00 1.33 0.41 0.00 0.00 173.24 175.02 1x05 n VAL 73 N -0.76 0.00 -1.64 3.43 0.24 -1.26 -4.50 118.33 113.83 1x05 n VAL 73 Ca -0.05 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.31 1x05 n VAL 73 Cb 0.62 -1.07 0.14 0.00 -1.47 0.00 0.00 33.84 32.05 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 -0.75 1.07 -0.27 7.34 0.28 -1.26 -4.85 120.64 122.20 1x05 n GLU 74 Ca 0.00 -2.64 -0.08 0.00 -0.16 0.00 0.00 57.16 54.28 1x05 n GLU 74 Cb 0.00 -1.20 -0.04 0.00 1.43 0.00 0.00 31.44 31.63 1x05 n GLU 74 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1x05 h SER 75 N 0.61 -1.64 -5.23 -1.84 4.64 -1.91 -3.47 113.55 104.71 1x05 h SER 75 Ca -0.04 0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1x05 h SER 75 Cb 1.19 0.75 -0.05 0.00 -0.31 0.00 0.00 62.40 63.98 1x05 h SER 75 CO 0.02 -0.32 -1.18 0.59 -0.87 0.00 0.00 176.83 175.07 1x05 n ASN 76 N -5.39 -5.16 0.33 4.97 3.02 -1.26 -4.74 115.26 107.03 1x05 n ASN 76 Ca 0.03 1.32 0.17 0.00 -0.03 0.00 0.00 54.58 56.07 1x05 n ASN 76 Cb 0.34 -4.90 0.93 0.00 -0.61 0.00 0.00 39.78 35.53 1x05 n ASN 76 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1x05 h SER 77 N 3.58 0.00 -2.02 6.41 4.64 -1.85 -3.38 113.55 120.93 1x05 h SER 77 Ca -0.21 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.61 1x05 h SER 77 Cb 0.54 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.60 1x05 h SER 77 CO 0.06 0.00 1.38 0.21 -0.87 0.00 0.00 176.83 177.61 1x05 s ASN 78 N -4.65 5.24 0.00 4.97 2.47 -1.26 -4.64 114.94 117.07 1x05 s ASN 78 Ca -0.04 0.58 0.00 0.00 0.42 0.00 0.00 52.86 53.82 1x05 s ASN 78 Cb 0.10 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.38 1x05 s ASN 78 CO 0.32 -2.36 0.00 0.61 -3.72 0.00 0.00 177.10 171.95 1x05 n GLY 79 N 5.70 -2.03 5.16 1.21 0.00 -1.26 -5.05 105.19 108.93 1x05 n GLY 79 Ca 0.23 0.98 0.00 0.00 0.00 0.00 0.00 46.02 47.23 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 0.00 -1.03 1.61 5.12 -1.26 -4.49 116.66 116.61 1x05 n ARG 80 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1x05 n ARG 80 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1x05 n ARG 80 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1x05 n LYS 81 N 0.00 1.33 0.11 5.56 5.02 -1.26 -5.07 118.16 123.85 1x05 n LYS 81 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 1x05 n LYS 81 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 1x05 n LYS 81 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1x05 h SER 82 N 0.00 -0.28 0.00 4.39 0.87 -1.82 -3.45 113.55 113.25 1x05 h SER 82 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1x05 h SER 82 Cb 0.00 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1x05 h SER 82 CO 0.00 0.03 0.00 -0.62 -0.53 0.00 0.00 176.83 175.71 1x05 n GLU 83 N -4.17 0.00 -3.90 2.24 -0.58 -1.26 -4.53 120.64 108.45 1x05 n GLU 83 Ca -0.04 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.46 1x05 n GLU 83 Cb 0.13 0.00 -0.17 0.00 -0.57 0.00 0.00 31.44 30.83 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 0.94 0.00 3.49 2.02 -1.26 -5.14 118.70 118.76 1x05 s GLU 84 Ca 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 54.97 54.94 1x05 s GLU 84 Cb 0.00 -1.14 0.00 0.00 0.10 0.00 0.00 34.13 33.09 1x05 s GLU 84 CO 0.00 -0.25 0.00 0.39 0.02 0.00 0.00 175.26 175.42 1x05 n GLU 85 N 4.87 2.56 -3.04 1.61 1.02 -1.26 -4.47 120.64 121.93 1x05 n GLU 85 Ca -0.12 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.59 1x05 n GLU 85 Cb 0.50 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.86 1x05 n GLU 85 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1x05 s ASN 86 N -1.66 6.39 0.52 1.62 0.01 -1.25 -4.72 114.94 115.86 1x05 s ASN 86 Ca 0.00 -0.13 0.04 0.00 -0.71 0.00 0.00 52.86 52.06 1x05 s ASN 86 Cb 0.00 -2.35 0.01 0.00 0.41 0.00 0.00 41.25 39.32 1x05 s ASN 86 CO 0.00 -0.80 0.22 -0.76 -1.51 0.00 0.00 177.10 174.25 1x05 s LEU 87 N 3.00 2.54 -0.03 0.60 1.43 -1.26 0.18 118.68 125.14 1x05 s LEU 87 Ca 0.26 -1.41 -0.29 0.00 -1.03 0.00 0.00 54.13 51.66 1x05 s LEU 87 Cb -0.13 -1.00 0.10 0.00 0.03 0.00 0.00 46.19 45.18 1x05 s LEU 87 CO 0.20 -0.98 0.86 0.72 0.23 0.00 0.00 176.35 177.38 1x05 s PHE 88 N -2.81 -0.41 0.08 0.29 -0.12 -0.96 -4.23 117.98 109.82 1x05 s PHE 88 Ca 0.22 0.45 0.03 0.00 -0.05 0.00 0.00 56.93 57.59 1x05 s PHE 88 Cb -0.00 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 1x05 s PHE 88 CO 0.13 -0.53 0.07 -2.00 -0.05 0.00 0.00 175.22 172.84 1x05 s GLU 89 N -2.40 2.84 -0.20 1.99 2.12 -1.01 -2.59 118.70 119.45 1x05 s GLU 89 Ca 0.01 -0.71 -0.04 0.00 0.36 0.00 0.00 54.97 54.59 1x05 s GLU 89 Cb -0.01 -2.70 0.08 0.00 0.26 0.00 0.00 34.13 31.76 1x05 s GLU 89 CO -0.04 0.56 0.18 0.42 -0.54 0.00 0.00 175.26 175.84 1x05 s ILE 90 N -1.38 -0.24 0.14 -3.70 1.01 -0.81 -1.68 121.20 114.54 1x05 s ILE 90 Ca 0.29 -0.17 -0.21 0.00 0.00 0.00 0.00 60.65 60.56 1x05 s ILE 90 Cb -0.12 -0.66 -0.07 0.00 0.01 0.00 0.00 42.46 41.61 1x05 s ILE 90 CO 0.21 -0.26 0.67 -0.63 0.00 0.00 0.00 174.94 174.94 1x05 s ILE 91 N 2.26 4.58 0.00 2.92 1.01 0.05 -2.53 121.20 129.49 1x05 s ILE 91 Ca 0.05 1.37 0.00 0.00 0.00 0.00 0.00 60.65 62.08 1x05 s ILE 91 Cb -0.16 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.35 1x05 s ILE 91 CO -0.13 0.45 0.00 0.35 0.00 0.00 0.00 174.94 175.62 1x05 n THR 92 N 1.41 0.00 0.22 2.92 -2.24 -0.39 0.19 114.28 116.38 1x05 n THR 92 Ca -0.07 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.83 1x05 n THR 92 Cb 0.50 -0.89 0.33 0.00 -2.10 0.00 0.00 70.33 68.17 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 -0.10 0.95 -0.14 6.98 0.00 -1.75 -2.49 119.26 122.72 1x05 h ALA 93 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1x05 h ALA 93 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1x05 h ALA 93 CO 0.00 0.15 0.00 -3.47 0.00 0.00 0.00 179.25 175.93 1x05 n ASP 94 N -3.17 2.25 0.00 0.00 2.03 -1.26 -4.89 116.55 111.50 1x05 n ASP 94 Ca 0.02 -1.77 0.00 0.00 0.52 0.00 0.00 54.79 53.56 1x05 n ASP 94 Cb 0.49 -0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 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 0.72 0.00 -1.72 -0.67 1.02 -0.94 -4.98 120.64 114.08 1x05 n GLU 95 Ca 0.17 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.89 1x05 n GLU 95 Cb 0.45 -2.61 -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 0.28 1.18 0.00 0.00 177.13 178.59 1x05 n VAL 96 N -2.21 0.03 -4.11 2.62 0.31 -1.26 -4.55 118.33 109.16 1x05 n VAL 96 Ca 0.00 -0.01 -0.35 0.00 -0.01 0.00 0.00 64.34 63.97 1x05 n VAL 96 Cb 0.00 -1.99 -0.07 0.00 -0.91 0.00 0.00 33.84 30.87 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 1.13 3.37 -0.04 3.52 3.76 -1.26 -1.26 115.29 124.50 1x05 s HIS 97 Ca 0.75 0.33 0.01 0.00 -0.15 0.00 0.00 55.06 56.00 1x05 s HIS 97 Cb -0.50 -1.84 0.02 0.00 1.11 0.00 0.00 32.58 31.37 1x05 s HIS 97 CO 0.33 0.60 -0.04 0.71 -0.85 0.00 0.00 174.74 175.49 1x05 s TYR 98 N -1.02 0.70 -0.35 1.40 2.02 -1.05 -4.93 117.35 114.11 1x05 s TYR 98 Ca 0.16 -0.18 -0.05 0.00 -0.37 0.00 0.00 57.07 56.63 1x05 s TYR 98 Cb -0.12 -0.65 0.06 0.00 -0.40 0.00 0.00 41.96 40.86 1x05 s TYR 98 CO 0.06 -0.20 0.11 -0.06 -1.57 0.00 0.00 175.55 173.90 1x05 s PHE 99 N 1.00 3.33 0.03 2.71 0.40 -1.26 -1.92 117.98 122.27 1x05 s PHE 99 Ca -0.10 -1.76 0.04 0.00 -0.60 0.00 0.00 56.93 54.51 1x05 s PHE 99 Cb -0.14 -2.49 -0.04 0.00 0.51 0.00 0.00 43.02 40.86 1x05 s PHE 99 CO -0.01 -0.81 -0.05 -0.51 0.70 0.00 0.00 175.22 174.54 1x05 s LEU 100 N 1.31 3.24 -0.25 -0.37 2.01 -1.07 -3.37 118.68 120.18 1x05 s LEU 100 Ca -0.00 -0.16 -0.13 0.00 0.01 0.00 0.00 54.13 53.85 1x05 s LEU 100 Cb -0.21 -1.89 -0.04 0.00 0.01 0.00 0.00 46.19 44.05 1x05 s LEU 100 CO 0.00 0.26 0.26 -1.58 1.01 0.00 0.00 176.35 176.30 1x05 s GLN 101 N -1.65 4.05 -0.25 1.70 0.74 -1.19 -2.26 119.66 120.80 1x05 s GLN 101 Ca 0.19 -0.12 -0.17 0.00 0.05 0.00 0.00 55.36 55.31 1x05 s GLN 101 Cb -0.11 -3.59 -0.03 0.00 1.10 0.00 0.00 33.01 30.38 1x05 s GLN 101 CO 0.10 -0.09 0.47 0.00 -0.55 0.00 0.00 175.29 175.23 1x05 s ALA 102 N 1.49 3.58 0.12 1.58 0.00 0.48 -3.90 121.76 125.10 1x05 s ALA 102 Ca 0.11 -0.61 -0.24 0.00 0.00 0.00 0.00 51.96 51.23 1x05 s ALA 102 Cb -0.15 -2.81 -0.05 0.00 0.00 0.00 0.00 23.12 20.11 1x05 s ALA 102 CO 0.08 -0.63 1.41 0.00 0.00 0.00 0.00 175.76 176.62 1x05 h ALA 103 N 7.89 -0.42 -2.01 0.00 0.00 -1.89 -3.31 119.26 119.52 1x05 h ALA 103 Ca -0.31 0.09 -0.45 0.00 0.00 0.00 0.00 54.91 54.24 1x05 h ALA 103 Cb 1.15 1.29 -0.00 0.00 0.00 0.00 0.00 17.79 20.22 1x05 h ALA 103 CO 0.70 -0.74 -0.39 0.95 0.00 0.00 0.00 179.25 179.77 1x05 s THR 104 N -4.90 4.67 -1.24 0.00 -4.23 -1.26 -4.71 115.64 103.97 1x05 s THR 104 Ca -0.09 -1.01 0.22 0.00 -1.18 0.00 0.00 61.69 59.63 1x05 s THR 104 Cb 0.08 -3.63 0.30 0.00 1.34 0.00 0.00 72.50 70.59 1x05 s THR 104 CO 0.47 -0.25 1.72 -0.81 -0.54 0.00 0.00 174.62 175.21 1x05 n PRO 105 N -1.51 0.18 -0.03 3.99 -0.04 -1.26 -2.59 135.00 133.74 1x05 n PRO 105 Ca -0.05 0.10 -0.13 0.00 -0.04 0.00 0.00 63.50 63.38 1x05 n PRO 105 Cb 0.58 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 1x05 n PRO 105 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1x05 n LYS 106 N -1.38 0.67 -0.25 0.54 4.81 -1.26 -3.96 118.16 117.33 1x05 n LYS 106 Ca 0.08 0.25 -0.05 0.00 -0.87 0.00 0.00 58.31 57.72 1x05 n LYS 106 Cb 0.21 -1.73 0.09 0.00 0.02 0.00 0.00 35.03 33.62 1x05 n LYS 106 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1x05 h GLU 107 N 0.02 1.12 -0.54 1.64 4.81 -1.86 0.15 114.58 119.92 1x05 h GLU 107 Ca -0.36 -0.21 0.04 0.00 -0.13 0.00 0.00 59.36 58.69 1x05 h GLU 107 Cb 2.04 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 31.20 1x05 h GLU 107 CO 0.07 0.92 0.30 -0.09 -0.73 0.00 0.00 179.01 179.48 1x05 h ARG 108 N 1.08 0.57 -0.24 1.92 1.12 -1.70 0.57 114.38 117.70 1x05 h ARG 108 Ca 0.24 -0.03 -0.15 0.00 -1.11 0.00 0.00 59.98 58.93 1x05 h ARG 108 Cb 0.25 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.08 1x05 h ARG 108 CO -0.02 0.38 -0.44 1.15 -3.11 0.00 0.00 179.97 177.93 1x05 h THR 109 N 0.58 1.31 0.56 0.20 2.02 -1.60 -2.76 112.91 113.22 1x05 h THR 109 Ca 0.23 -1.65 -0.03 0.00 0.77 0.00 0.00 66.41 65.73 1x05 h THR 109 Cb 0.09 1.76 0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1x05 h THR 109 CO -0.13 0.52 -0.27 -0.33 0.37 0.00 0.00 175.52 175.68 1x05 h GLU 110 N 0.44 -0.73 -0.41 6.66 5.08 -0.22 -1.34 114.58 124.07 1x05 h GLU 110 Ca 0.01 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1x05 h GLU 110 Cb 1.05 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 30.38 1x05 h GLU 110 CO 0.10 -0.48 -0.55 -1.49 -1.00 0.00 0.00 179.01 175.59 1x05 h TRP 111 N -0.77 -1.68 -0.40 4.33 -0.00 0.07 1.53 115.95 119.03 1x05 h TRP 111 Ca -0.08 0.08 0.04 0.00 -0.00 0.00 0.00 58.89 58.93 1x05 h TRP 111 Cb 0.58 0.79 -0.06 0.00 -0.00 0.00 0.00 29.16 30.47 1x05 h TRP 111 CO -0.03 -0.49 -0.34 0.82 -0.00 0.00 0.00 178.44 178.40 1x05 h ILE 112 N -0.40 0.00 -0.35 1.49 5.03 -1.36 1.91 117.51 123.84 1x05 h ILE 112 Ca 0.08 0.00 0.10 0.00 -0.12 0.00 0.00 64.86 64.92 1x05 h ILE 112 Cb 0.60 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 34.37 1x05 h ILE 112 CO -0.60 0.00 0.33 0.11 -0.68 0.00 0.00 178.15 177.31 1x05 h LYS 113 N -0.13 0.00 0.30 2.37 1.57 -0.06 0.62 116.57 121.25 1x05 h LYS 113 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1x05 h LYS 113 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1x05 h LYS 113 CO -0.44 0.00 -0.14 0.00 -0.57 0.00 0.00 179.45 178.30 1x05 h ALA 114 N 1.67 -0.40 -0.70 3.86 0.00 1.35 -0.66 119.26 124.38 1x05 h ALA 114 Ca 0.16 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1x05 h ALA 114 Cb 0.82 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1x05 h ALA 114 CO -0.00 -0.42 0.43 0.82 0.00 0.00 0.00 179.25 180.08 1x05 h ILE 115 N -1.01 1.06 0.08 0.00 5.03 0.34 -2.24 117.51 120.77 1x05 h ILE 115 Ca -0.04 -0.28 0.01 0.00 -0.12 0.00 0.00 64.86 64.43 1x05 h ILE 115 Cb 0.46 0.17 -0.02 0.00 -3.03 0.00 0.00 36.82 34.40 1x05 h ILE 115 CO 0.07 0.15 -0.13 1.56 -0.68 0.00 0.00 178.15 179.12 1x05 h GLN 116 N 0.82 -0.24 -0.80 2.37 4.20 0.15 0.27 115.11 121.87 1x05 h GLN 116 Ca 0.29 0.02 0.19 0.00 0.06 0.00 0.00 58.65 59.20 1x05 h GLN 116 Cb 0.06 0.06 -0.12 0.00 0.30 0.00 0.00 27.48 27.78 1x05 h GLN 116 CO -0.13 -0.16 0.23 1.98 -0.67 0.00 0.00 178.83 180.08 1x05 h MET 117 N -0.25 0.28 0.16 1.46 1.85 -0.59 0.52 114.93 118.35 1x05 h MET 117 Ca 0.02 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.09 1x05 h MET 117 Cb 0.27 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.24 1x05 h MET 117 CO -0.07 0.18 -0.08 0.00 -0.40 0.00 0.00 176.91 176.54 1x05 h ALA 118 N 1.67 -0.57 -0.90 0.39 0.00 -0.86 0.30 119.26 119.29 1x05 h ALA 118 Ca 0.47 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.52 1x05 h ALA 118 Cb 0.85 0.08 -0.17 0.00 0.00 0.00 0.00 17.79 18.56 1x05 h ALA 118 CO -0.55 -0.55 -0.21 -1.13 0.00 0.00 0.00 179.25 176.81 1x05 n SER 119 N -2.98 -0.31 -0.07 0.00 3.41 0.88 0.13 113.62 114.68 1x05 n SER 119 Ca -0.03 1.55 -0.12 0.00 -0.26 0.00 0.00 58.87 60.01 1x05 n SER 119 Cb 0.08 -0.47 -0.05 0.00 -0.26 0.00 0.00 64.21 63.51 1x05 n SER 119 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1x05 h ARG 120 N 0.00 0.36 -6.11 4.33 3.08 -0.01 -3.45 114.38 112.59 1x05 h ARG 120 Ca 0.44 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1x05 h ARG 120 Cb 0.68 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1x05 h ARG 120 CO -0.92 0.58 -0.94 -2.37 -1.07 0.00 0.00 179.97 175.25 1x05 n THR 121 N -4.67 -1.89 -2.93 2.04 5.66 0.34 -4.82 114.28 108.01 1x05 n THR 121 Ca -0.05 0.47 -0.43 0.00 -3.05 0.00 0.00 64.05 61.00 1x05 n THR 121 Cb 0.25 -2.85 0.01 0.00 -1.55 0.00 0.00 70.33 66.19 1x05 n THR 121 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x05 n GLY 122 N 1.27 5.20 3.65 1.09 0.00 -1.26 -5.01 105.19 110.12 1x05 n GLY 122 Ca 0.00 -2.62 -0.60 0.00 0.00 0.00 0.00 46.02 42.80 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 1.44 0.50 -1.68 1.61 3.00 -1.26 -4.77 118.16 117.00 1x05 n LYS 123 Ca 0.28 0.18 -0.43 0.00 -0.00 0.00 0.00 58.31 58.35 1x05 n LYS 123 Cb 0.33 -1.75 -0.03 0.00 0.00 0.00 0.00 35.03 33.57 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 3.51 4.04 -3.48 3.14 3.41 -1.26 -4.96 113.62 118.03 1x05 n SER 124 Ca 0.25 0.97 -0.13 0.00 -0.26 0.00 0.00 58.87 59.70 1x05 n SER 124 Cb 0.07 -1.53 -0.03 0.00 -0.26 0.00 0.00 64.21 62.45 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 3.06 -0.56 0.00 5.00 0.00 -1.26 -5.06 107.32 108.50 1x05 s GLY 125 Ca 0.84 0.59 -0.20 0.00 0.00 0.00 0.00 44.72 45.94 1x05 s GLY 125 CO 0.39 0.27 1.13 -0.56 0.00 0.00 0.00 173.10 174.32 1x05 h PRO 126 N 2.30 0.39 -5.56 2.90 0.13 -2.04 -3.40 132.00 126.72 1x05 h PRO 126 Ca -0.32 -0.38 -0.63 0.00 -0.87 0.00 0.00 66.00 63.80 1x05 h PRO 126 Cb 1.26 0.10 -0.14 0.00 0.13 0.00 0.00 31.00 32.35 1x05 h PRO 126 CO 0.39 1.04 0.89 0.45 -0.23 0.00 0.00 178.00 180.55 1x05 s SER 127 N -6.62 6.38 0.05 1.44 0.15 -1.26 -4.98 113.70 108.87 1x05 s SER 127 Ca -0.14 -1.35 -0.38 0.00 0.70 0.00 0.00 55.95 54.78 1x05 s SER 127 Cb 0.04 -2.46 -0.18 0.00 -1.71 0.00 0.00 66.02 61.71 1x05 s SER 127 CO 0.80 -1.39 1.25 -1.54 1.20 0.00 0.00 173.24 173.56 1x05 n SER 128 N 7.79 1.05 0.00 5.45 3.41 -1.26 -5.18 113.62 124.88 1x05 n SER 128 Ca 0.13 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.88 1x05 n SER 128 Cb 0.48 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 1x05 n SER 128 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49