#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pma s THR 2 N 0.00 -0.04 0.09 1.09 -1.32 -1.26 -0.17 115.64 114.03 1pma s THR 2 Ca 0.00 0.15 0.05 0.00 -1.21 0.00 0.00 61.69 60.67 1pma s THR 2 Cb 0.00 -0.20 -0.03 0.00 -1.51 0.00 0.00 72.50 70.75 1pma s THR 2 CO 0.00 0.06 -0.12 0.42 -2.21 0.00 0.00 174.62 172.76 1pma s THR 3 N 0.92 1.10 -0.19 5.08 -4.23 0.04 -2.45 115.64 115.90 1pma s THR 3 Ca -0.07 -1.54 -0.17 0.00 -1.18 0.00 0.00 61.69 58.74 1pma s THR 3 Cb -0.09 -1.29 0.05 0.00 1.34 0.00 0.00 72.50 72.51 1pma s THR 3 CO -0.04 -0.40 0.50 0.54 -0.54 0.00 0.00 174.62 174.68 1pma s VAL 4 N -1.94 -0.00 -0.03 2.29 0.11 0.03 -0.88 120.40 119.98 1pma s VAL 4 Ca 0.04 0.01 0.06 0.00 -2.93 0.00 0.00 61.98 59.15 1pma s VAL 4 Cb -0.06 -0.70 -0.01 0.00 -1.53 0.00 0.00 36.38 34.07 1pma s VAL 4 CO 0.02 0.00 -0.21 -0.83 -3.33 0.00 0.00 175.10 170.75 1pma s GLY 5 N 0.43 1.05 -0.00 6.54 0.00 -0.58 -1.27 107.32 113.49 1pma s GLY 5 Ca -0.01 -0.87 0.01 0.00 0.00 0.00 0.00 44.72 43.84 1pma s GLY 5 CO -0.01 -0.62 -0.03 -1.50 0.00 0.00 0.00 173.10 170.94 1pma s ILE 6 N -0.28 0.20 -0.13 0.90 2.07 0.22 -0.97 121.20 123.20 1pma s ILE 6 Ca 0.03 -0.11 -0.06 0.00 -1.41 0.00 0.00 60.65 59.10 1pma s ILE 6 Cb -0.10 -0.17 -0.04 0.00 0.13 0.00 0.00 42.46 42.28 1pma s ILE 6 CO 0.01 0.05 0.07 -0.89 -1.91 0.00 0.00 174.94 172.27 1pma s THR 7 N -0.07 4.89 -0.27 4.00 2.01 0.02 -1.48 115.64 124.74 1pma s THR 7 Ca 0.01 -0.02 -0.15 0.00 0.31 0.00 0.00 61.69 61.84 1pma s THR 7 Cb -0.01 -3.14 0.08 0.00 0.01 0.00 0.00 72.50 69.44 1pma s THR 7 CO -0.00 0.55 0.66 -1.48 -0.69 0.00 0.00 174.62 173.66 1pma s LEU 8 N -0.45 -0.84 0.00 4.42 0.05 -1.06 -4.87 118.68 115.93 1pma s LEU 8 Ca 0.10 1.44 0.00 0.00 0.05 0.00 0.00 54.13 55.72 1pma s LEU 8 Cb -0.12 2.27 0.00 0.00 -2.05 0.00 0.00 46.19 46.29 1pma s LEU 8 CO 0.02 -0.23 0.00 1.17 -0.55 0.00 0.00 176.35 176.75 1pma n LYS 9 N 4.28 0.00 -2.60 1.48 3.00 -1.26 -1.08 118.16 121.99 1pma n LYS 9 Ca -0.20 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 57.98 1pma n LYS 9 Cb 0.58 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.64 1pma n LYS 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1pma n ASP 10 N 1.02 2.52 -3.65 3.14 8.00 -1.26 -4.83 116.55 121.49 1pma n ASP 10 Ca 0.00 -2.91 -0.05 0.00 0.71 0.00 0.00 54.79 52.53 1pma n ASP 10 Cb 0.00 -0.49 -0.02 0.00 -0.02 0.00 0.00 41.12 40.59 1pma n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pma s ALA 11 N -3.38 -1.73 -0.02 2.24 0.00 -0.24 -4.49 121.76 114.15 1pma s ALA 11 Ca 0.34 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.79 1pma s ALA 11 Cb 0.42 0.55 0.01 0.00 0.00 0.00 0.00 23.12 24.10 1pma s ALA 11 CO -0.03 -0.90 -0.04 0.54 0.00 0.00 0.00 175.76 175.33 1pma s VAL 12 N -3.22 0.37 -0.02 0.00 0.11 -0.35 -2.56 120.40 114.74 1pma s VAL 12 Ca 0.09 -0.12 0.07 0.00 -2.93 0.00 0.00 61.98 59.10 1pma s VAL 12 Cb -0.01 -0.37 -0.02 0.00 -1.53 0.00 0.00 36.38 34.45 1pma s VAL 12 CO -0.02 0.14 -0.23 -0.63 -3.33 0.00 0.00 175.10 171.03 1pma s ILE 13 N 0.39 2.29 0.01 7.04 1.01 -0.55 -0.76 121.20 130.62 1pma s ILE 13 Ca -0.04 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 59.56 1pma s ILE 13 Cb -0.08 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 1pma s ILE 13 CO -0.00 0.55 -0.05 -0.04 0.00 0.00 0.00 174.94 175.40 1pma s MET 14 N -0.73 0.38 0.07 2.79 -1.94 -0.34 -0.61 119.30 118.93 1pma s MET 14 Ca 0.11 -0.28 -0.19 0.00 -1.71 0.00 0.00 55.69 53.62 1pma s MET 14 Cb -0.10 -0.31 0.04 0.00 2.01 0.00 0.00 34.83 36.47 1pma s MET 14 CO -0.00 0.08 0.44 0.00 -0.01 0.00 0.00 175.02 175.53 1pma s ALA 15 N -0.38 -1.08 0.20 3.03 0.00 -0.40 -0.66 121.76 122.47 1pma s ALA 15 Ca -0.01 0.28 -0.13 0.00 0.00 0.00 0.00 51.96 52.10 1pma s ALA 15 Cb -0.03 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.56 1pma s ALA 15 CO -0.00 -0.53 0.42 0.95 0.00 0.00 0.00 175.76 176.60 1pma s THR 16 N -2.89 0.03 0.00 0.00 -4.23 -0.58 -0.79 115.64 107.19 1pma s THR 16 Ca -0.03 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1pma s THR 16 Cb -0.00 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.95 1pma s THR 16 CO -0.05 -0.14 0.00 -1.84 -0.54 0.00 0.00 174.62 172.04 1pma n GLU 17 N -0.31 2.67 -2.64 3.99 -0.00 -1.03 -1.12 120.64 122.21 1pma n GLU 17 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 57.16 57.08 1pma n GLU 17 Cb 0.62 0.00 0.10 0.00 -0.00 0.00 0.00 31.44 32.16 1pma n GLU 17 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1pma n ARG 18 N -0.07 1.41 -3.47 3.44 1.85 -0.62 -4.61 116.66 114.59 1pma n ARG 18 Ca 0.00 -1.90 -0.37 0.00 -1.00 0.00 0.00 57.85 54.58 1pma n ARG 18 Cb 0.00 -0.18 -0.08 0.00 -1.05 0.00 0.00 32.46 31.15 1pma n ARG 18 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1pma s ARG 19 N -1.05 4.19 -0.23 2.89 3.52 -0.78 -0.48 118.95 127.01 1pma s ARG 19 Ca 0.14 0.11 -0.04 0.00 -0.13 0.00 0.00 55.73 55.81 1pma s ARG 19 Cb 0.39 -3.50 -0.00 0.00 -1.56 0.00 0.00 34.95 30.28 1pma s ARG 19 CO -0.10 0.07 -0.04 0.54 -0.81 0.00 0.00 175.30 174.96 1pma s VAL 20 N 0.98 3.34 0.30 7.11 0.11 0.12 -4.55 120.40 127.81 1pma s VAL 20 Ca 0.17 -0.58 0.09 0.00 -2.93 0.00 0.00 61.98 58.73 1pma s VAL 20 Cb -0.14 -2.56 -0.06 0.00 -1.53 0.00 0.00 36.38 32.10 1pma s VAL 20 CO 0.06 0.37 -0.12 0.28 -3.33 0.00 0.00 175.10 172.37 1pma s THR 21 N 1.46 2.09 -0.52 5.04 -1.32 -1.26 -1.19 115.64 119.93 1pma s THR 21 Ca 0.05 -2.23 0.04 0.00 -1.21 0.00 0.00 61.69 58.33 1pma s THR 21 Cb -0.15 -2.45 0.14 0.00 -1.51 0.00 0.00 72.50 68.53 1pma s THR 21 CO -0.03 -0.32 0.28 -0.32 -2.21 0.00 0.00 174.62 172.02 1pma s MET 22 N -3.62 1.86 6.27 7.08 1.75 -0.10 -4.89 119.30 127.65 1pma s MET 22 Ca 0.30 -2.56 0.00 0.00 -1.25 0.00 0.00 55.69 52.18 1pma s MET 22 Cb 0.01 -3.08 0.00 0.00 2.84 0.00 0.00 34.83 34.60 1pma s MET 22 CO 0.14 -1.14 0.00 0.39 -0.65 0.00 0.00 175.02 173.75 1pma n GLU 23 N 3.08 0.00 -0.00 4.11 1.02 -1.26 -1.44 120.64 126.14 1pma n GLU 23 Ca 0.08 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.32 1pma n GLU 23 Cb 0.33 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.61 1pma n GLU 23 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1pma n ASN 24 N 10.79 0.64 -4.53 1.62 6.94 -1.26 -4.77 115.26 124.69 1pma n ASN 24 Ca 0.00 -0.62 -0.41 0.00 -0.02 0.00 0.00 54.58 53.52 1pma n ASN 24 Cb 0.00 1.37 -0.03 0.00 -2.36 0.00 0.00 39.78 38.76 1pma n ASN 24 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1pma s PHE 25 N -3.17 2.48 -0.64 -2.53 5.36 -0.52 -4.94 117.98 114.01 1pma s PHE 25 Ca 0.02 -0.48 -0.27 0.00 -0.96 0.00 0.00 56.93 55.23 1pma s PHE 25 Cb 0.15 -4.59 0.01 0.00 -0.34 0.00 0.00 43.02 38.25 1pma s PHE 25 CO 0.87 -1.94 1.47 -1.50 -1.46 0.00 0.00 175.22 172.67 1pma s ILE 26 N 5.05 3.65 -0.09 3.12 -1.16 -1.26 -0.93 121.20 129.59 1pma s ILE 26 Ca 0.37 0.45 0.12 0.00 -0.51 0.00 0.00 60.65 61.08 1pma s ILE 26 Cb -0.06 -4.51 -0.24 0.00 0.61 0.00 0.00 42.46 38.27 1pma s ILE 26 CO 0.04 -1.38 0.50 0.80 -2.81 0.00 0.00 174.94 172.09 1pma n MET 27 N 9.08 0.65 -3.88 3.50 0.00 -1.17 -4.86 117.12 120.44 1pma n MET 27 Ca 0.11 0.23 -0.30 0.00 -0.00 0.00 0.00 57.70 57.74 1pma n MET 27 Cb 0.50 -1.72 -0.16 0.00 0.00 0.00 0.00 33.22 31.84 1pma n MET 27 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 1pma s HIS 28 N -2.57 2.05 0.21 1.12 3.76 -0.33 -5.00 115.29 114.54 1pma s HIS 28 Ca -0.08 -1.56 0.16 0.00 -0.15 0.00 0.00 55.06 53.44 1pma s HIS 28 Cb 0.07 -1.47 0.60 0.00 1.11 0.00 0.00 32.58 32.90 1pma s HIS 28 CO 0.82 -0.74 1.71 0.87 -0.85 0.00 0.00 174.74 176.55 1pma h LYS 29 N 8.03 0.00 -2.93 1.40 1.57 -1.83 0.36 116.57 123.17 1pma h LYS 29 Ca -0.17 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.00 1pma h LYS 29 Cb 1.08 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.99 1pma h LYS 29 CO 0.40 0.44 -0.72 -0.80 -0.57 0.00 0.00 179.45 178.20 1pma s ASN 30 N -6.58 3.66 0.61 0.86 -0.87 -1.24 -4.23 114.94 107.15 1pma s ASN 30 Ca -0.01 -3.19 0.02 0.00 -1.57 0.00 0.00 52.86 48.11 1pma s ASN 30 Cb 0.12 -1.18 0.10 0.00 -0.02 0.00 0.00 41.25 40.27 1pma s ASN 30 CO 0.71 -0.18 0.74 0.61 -2.57 0.00 0.00 177.10 176.42 1pma n GLY 31 N 2.79 0.99 3.01 0.66 0.00 0.37 -5.04 105.19 107.98 1pma n GLY 31 Ca 0.17 -2.06 -0.26 0.00 0.00 0.00 0.00 46.02 43.86 1pma n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pma s LYS 32 N -4.40 1.85 0.00 1.61 2.20 -1.26 -4.79 119.74 114.95 1pma s LYS 32 Ca 0.51 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.69 1pma s LYS 32 Cb -0.03 -1.62 0.00 0.00 -1.51 0.00 0.00 37.83 34.67 1pma s LYS 32 CO 0.33 -0.07 0.62 1.63 -0.36 0.00 0.00 175.35 177.50 1pma n LYS 33 N 4.21 0.41 -4.79 4.03 5.02 -1.26 -4.96 118.16 120.82 1pma n LYS 33 Ca -0.19 -0.78 -0.32 0.00 -2.02 0.00 0.00 58.31 55.00 1pma n LYS 33 Cb 0.51 -0.93 -0.17 0.00 -0.02 0.00 0.00 35.03 34.42 1pma n LYS 33 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1pma s LEU 34 N -0.32 2.11 -0.01 -0.35 2.96 -1.26 -1.69 118.68 120.11 1pma s LEU 34 Ca 0.00 -0.59 0.02 0.00 -0.22 0.00 0.00 54.13 53.34 1pma s LEU 34 Cb 0.00 -1.44 -0.00 0.00 0.50 0.00 0.00 46.19 45.25 1pma s LEU 34 CO 0.00 0.10 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.70 1pma s PHE 35 N 0.71 0.67 0.11 5.38 0.08 -0.35 -5.00 117.98 119.57 1pma s PHE 35 Ca -0.10 -0.13 -0.28 0.00 0.12 0.00 0.00 56.93 56.54 1pma s PHE 35 Cb -0.16 -0.45 -0.06 0.00 -0.57 0.00 0.00 43.02 41.78 1pma s PHE 35 CO 0.00 -0.03 0.89 -1.14 -0.10 0.00 0.00 175.22 174.85 1pma s GLN 36 N -0.07 4.65 -0.00 0.44 0.74 -1.26 -0.65 119.66 123.51 1pma s GLN 36 Ca 0.01 1.33 0.05 0.00 0.05 0.00 0.00 55.36 56.80 1pma s GLN 36 Cb -0.04 -3.35 -0.06 0.00 1.10 0.00 0.00 33.01 30.65 1pma s GLN 36 CO -0.00 0.29 0.18 1.51 -0.55 0.00 0.00 175.29 176.72 1pma n ILE 37 N 2.57 0.00 -3.57 -2.34 3.06 0.37 -4.92 119.36 114.53 1pma n ILE 37 Ca -0.00 -0.30 -0.06 0.00 -2.50 0.00 0.00 62.75 59.90 1pma n ILE 37 Cb 0.49 0.80 -0.02 0.00 0.54 0.00 0.00 39.64 41.45 1pma n ILE 37 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1pma s ASP 38 N -1.84 -0.20 0.23 9.51 2.15 -0.94 -4.68 116.67 120.90 1pma s ASP 38 Ca 0.01 0.01 -0.01 0.00 0.43 0.00 0.00 52.55 52.99 1pma s ASP 38 Cb 0.04 0.21 0.51 0.00 -0.30 0.00 0.00 42.92 43.38 1pma s ASP 38 CO 0.21 -0.34 1.18 0.35 -0.17 0.00 0.00 175.17 176.39 1pma n THR 39 N -0.11 -0.32 -2.06 1.71 -2.24 -1.26 -1.08 114.28 108.93 1pma n THR 39 Ca -0.02 1.67 -0.23 0.00 -2.27 0.00 0.00 64.05 63.20 1pma n THR 39 Cb 0.59 -2.41 0.02 0.00 -2.10 0.00 0.00 70.33 66.43 1pma n THR 39 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1pma n TYR 40 N -5.10 2.71 -3.60 4.78 4.01 -1.26 -3.04 117.16 115.67 1pma n TYR 40 Ca 0.16 -2.24 -0.14 0.00 -0.16 0.00 0.00 57.90 55.52 1pma n TYR 40 Cb 0.53 -0.33 -0.07 0.00 -0.31 0.00 0.00 39.34 39.16 1pma n TYR 40 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1pma s THR 41 N -4.59 0.00 0.30 -0.72 -1.32 -0.24 -2.48 115.64 106.59 1pma s THR 41 Ca 0.50 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 61.01 1pma s THR 41 Cb 0.41 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 70.35 1pma s THR 41 CO 0.03 0.00 0.09 -0.83 -2.21 0.00 0.00 174.62 171.71 1pma s GLY 42 N -0.13 1.96 -0.10 6.08 0.00 -0.49 -0.48 107.32 114.15 1pma s GLY 42 Ca -0.03 -1.86 -0.12 0.00 0.00 0.00 0.00 44.72 42.70 1pma s GLY 42 CO 0.03 -1.69 0.33 -0.29 0.00 0.00 0.00 173.10 171.48 1pma s MET 43 N -3.94 0.46 -0.16 2.90 1.75 0.18 -2.05 119.30 118.43 1pma s MET 43 Ca 0.36 0.30 -0.01 0.00 -1.25 0.00 0.00 55.69 55.09 1pma s MET 43 Cb 0.07 0.22 -0.01 0.00 2.84 0.00 0.00 34.83 37.95 1pma s MET 43 CO 0.15 -0.08 -0.12 0.95 -0.65 0.00 0.00 175.02 175.27 1pma s THR 44 N -0.20 2.99 0.13 10.11 -4.23 0.10 -1.21 115.64 123.33 1pma s THR 44 Ca -0.03 -0.66 -0.13 0.00 -1.18 0.00 0.00 61.69 59.69 1pma s THR 44 Cb -0.03 -2.29 -0.07 0.00 1.34 0.00 0.00 72.50 71.45 1pma s THR 44 CO 0.01 0.50 0.50 -0.63 -0.54 0.00 0.00 174.62 174.46 1pma s ILE 45 N 0.81 4.93 -0.30 2.99 1.01 -0.68 -1.80 121.20 128.16 1pma s ILE 45 Ca -0.04 0.71 -0.08 0.00 0.00 0.00 0.00 60.65 61.23 1pma s ILE 45 Cb -0.15 -3.71 0.16 0.00 0.01 0.00 0.00 42.46 38.77 1pma s ILE 45 CO 0.01 0.25 0.72 0.00 0.00 0.00 0.00 174.94 175.92 1pma s ALA 46 N -1.45 -2.34 0.00 9.38 0.00 -1.03 -4.88 121.76 121.45 1pma s ALA 46 Ca 0.36 2.07 0.00 0.00 0.00 0.00 0.00 51.96 54.39 1pma s ALA 46 Cb -0.15 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 20.97 1pma s ALA 46 CO 0.19 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.26 1pma n GLY 47 N 5.37 0.15 3.60 0.00 0.00 -1.26 0.46 105.19 113.50 1pma n GLY 47 Ca -0.08 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 1pma n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pma s LEU 48 N 0.00 3.65 0.14 0.99 2.96 -0.51 -4.94 118.68 120.97 1pma s LEU 48 Ca 0.00 0.54 -0.17 0.00 -0.22 0.00 0.00 54.13 54.28 1pma s LEU 48 Cb 0.00 -3.55 0.06 0.00 0.50 0.00 0.00 46.19 43.20 1pma s LEU 48 CO 0.00 -1.25 1.09 1.33 -1.32 0.00 0.00 176.35 176.20 1pma n VAL 49 N 6.80 -0.43 -0.12 1.68 0.24 -1.26 -1.45 118.33 123.80 1pma n VAL 49 Ca 0.12 1.68 -0.07 0.00 -2.04 0.00 0.00 64.34 64.03 1pma n VAL 49 Cb 0.49 -2.14 -0.01 0.00 -1.47 0.00 0.00 33.84 30.71 1pma n VAL 49 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1pma h GLY 50 N 0.00 -0.18 0.97 7.63 0.00 -1.97 0.13 103.07 109.65 1pma h GLY 50 Ca 0.18 0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.89 1pma h GLY 50 CO -0.68 -0.21 0.22 -0.55 0.00 0.00 0.00 176.54 175.32 1pma h ASP 51 N -0.23 0.49 0.35 0.19 3.32 -1.59 -2.61 116.42 116.34 1pma h ASP 51 Ca 0.18 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1pma h ASP 51 Cb 0.52 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 1pma h ASP 51 CO -0.53 0.43 -0.49 0.00 -1.72 0.00 0.00 179.24 176.93 1pma h ALA 52 N 1.08 -1.02 -0.07 3.45 0.00 -0.84 -1.40 119.26 120.45 1pma h ALA 52 Ca 0.14 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1pma h ALA 52 Cb 0.05 0.75 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1pma h ALA 52 CO -0.02 -1.13 -0.39 1.96 0.00 0.00 0.00 179.25 179.67 1pma h GLN 53 N -0.88 -0.48 -0.70 0.00 4.20 -0.92 0.21 115.11 116.54 1pma h GLN 53 Ca -0.03 0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.80 1pma h GLN 53 Cb 0.81 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.65 1pma h GLN 53 CO -0.14 -0.32 0.46 -0.24 -0.67 0.00 0.00 178.83 177.91 1pma h VAL 54 N -0.50 0.94 -0.55 -0.54 3.04 -1.42 0.15 116.25 117.37 1pma h VAL 54 Ca 0.07 -0.20 -0.07 0.00 -1.01 0.00 0.00 66.70 65.48 1pma h VAL 54 Cb 0.62 0.29 -0.02 0.00 -2.01 0.00 0.00 31.29 30.17 1pma h VAL 54 CO -0.35 0.11 0.04 0.25 -1.01 0.00 0.00 177.57 176.61 1pma h LEU 55 N 0.60 0.86 -0.54 3.16 5.85 0.12 -1.92 115.31 123.44 1pma h LEU 55 Ca 0.32 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 1pma h LEU 55 Cb 0.45 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1pma h LEU 55 CO -0.11 0.90 -0.02 1.62 -0.34 0.00 0.00 178.44 180.50 1pma h VAL 56 N 0.84 1.27 -0.41 1.05 3.04 0.82 -2.27 116.25 120.58 1pma h VAL 56 Ca 0.17 -1.13 -0.03 0.00 -1.01 0.00 0.00 66.70 64.70 1pma h VAL 56 Cb 0.44 0.92 -0.02 0.00 -2.01 0.00 0.00 31.29 30.62 1pma h VAL 56 CO 0.02 0.40 0.16 0.03 -1.01 0.00 0.00 177.57 177.17 1pma h ARG 57 N 0.83 0.62 0.61 4.17 3.08 -1.07 -0.44 114.38 122.19 1pma h ARG 57 Ca 0.15 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1pma h ARG 57 Cb 0.56 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1pma h ARG 57 CO 0.03 0.59 -0.46 1.88 -1.07 0.00 0.00 179.97 180.94 1pma h TYR 58 N 0.52 -1.25 -0.61 3.04 0.05 -1.31 -1.58 116.97 115.84 1pma h TYR 58 Ca 0.14 -0.00 0.13 0.00 0.05 0.00 0.00 58.73 59.04 1pma h TYR 58 Cb 0.20 0.46 -0.11 0.00 1.01 0.00 0.00 36.73 38.30 1pma h TYR 58 CO 0.00 -0.65 -0.07 1.98 -1.05 0.00 0.00 178.16 178.37 1pma h MET 59 N -1.03 0.06 0.08 4.88 4.05 -1.37 0.23 114.93 121.83 1pma h MET 59 Ca -0.08 -0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.34 1pma h MET 59 Cb 0.85 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.61 1pma h MET 59 CO 0.03 0.04 -0.31 -0.22 0.23 0.00 0.00 176.91 176.68 1pma h LYS 60 N 0.06 -0.43 -0.54 0.39 3.64 -0.91 -0.03 116.57 118.75 1pma h LYS 60 Ca 0.31 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.74 1pma h LYS 60 Cb 0.49 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 1pma h LYS 60 CO -0.57 -0.29 0.34 0.00 -2.27 0.00 0.00 179.45 176.65 1pma h ALA 61 N -0.98 0.69 -0.96 5.00 0.00 -0.66 -1.25 119.26 121.11 1pma h ALA 61 Ca -0.01 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1pma h ALA 61 Cb 0.45 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 1pma h ALA 61 CO -0.16 0.07 0.62 1.49 0.00 0.00 0.00 179.25 181.26 1pma h GLU 62 N 0.67 1.01 0.19 0.00 4.57 -0.38 -0.56 114.58 120.08 1pma h GLU 62 Ca 0.21 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.32 1pma h GLU 62 Cb -0.01 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.35 1pma h GLU 62 CO -0.08 0.67 -0.09 -0.07 -1.18 0.00 0.00 179.01 178.26 1pma h LEU 63 N 1.04 -0.21 -0.77 1.64 4.07 -0.06 -2.53 115.31 118.50 1pma h LEU 63 Ca 0.43 -0.24 0.10 0.00 0.08 0.00 0.00 57.88 58.25 1pma h LEU 63 Cb 0.29 0.05 -0.07 0.00 1.08 0.00 0.00 40.66 42.01 1pma h LEU 63 CO -0.18 0.14 0.40 -0.08 -1.08 0.00 0.00 178.44 177.64 1pma h GLU 64 N -0.59 0.65 -0.57 1.13 4.81 -0.83 -1.51 114.58 117.67 1pma h GLU 64 Ca -0.03 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1pma h GLU 64 Cb 0.44 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1pma h GLU 64 CO 0.04 0.43 0.33 1.25 -0.73 0.00 0.00 179.01 180.33 1pma h LEU 65 N 0.67 0.69 -0.45 1.64 5.85 -1.10 -2.65 115.31 119.96 1pma h LEU 65 Ca 0.38 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 1pma h LEU 65 Cb 0.41 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1pma h LEU 65 CO -0.28 0.56 0.24 0.22 -0.34 0.00 0.00 178.44 178.85 1pma h TYR 66 N 0.76 0.62 0.29 1.25 5.03 -0.92 -2.18 116.97 121.82 1pma h TYR 66 Ca 0.20 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.50 1pma h TYR 66 Cb 0.01 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.06 1pma h TYR 66 CO -0.02 0.47 -0.46 -0.09 -1.32 0.00 0.00 178.16 176.75 1pma h ARG 67 N 0.59 -0.77 -0.40 1.82 2.43 -1.09 0.19 114.38 117.14 1pma h ARG 67 Ca 0.16 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.46 1pma h ARG 67 Cb 0.06 0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 29.71 1pma h ARG 67 CO -0.02 -0.52 -0.09 -0.07 -1.51 0.00 0.00 179.97 177.76 1pma h LEU 68 N -0.80 -0.35 -0.40 3.80 4.07 -1.38 0.40 115.31 120.64 1pma h LEU 68 Ca -0.02 0.12 -0.16 0.00 0.08 0.00 0.00 57.88 57.90 1pma h LEU 68 Cb 0.76 0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.73 1pma h LEU 68 CO -0.16 -0.12 -0.42 1.56 -1.08 0.00 0.00 178.44 178.21 1pma h GLN 69 N 0.01 0.90 -0.01 1.13 4.20 -1.21 -3.28 115.11 116.84 1pma h GLN 69 Ca 0.19 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.41 1pma h GLN 69 Cb 0.30 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1pma h GLN 69 CO -0.41 1.14 -0.23 0.54 -0.67 0.00 0.00 178.83 179.20 1pma n ARG 70 N -4.04 1.20 -1.41 1.46 1.74 0.65 -4.96 116.66 111.30 1pma n ARG 70 Ca -0.03 -0.81 -0.15 0.00 -0.77 0.00 0.00 57.85 56.09 1pma n ARG 70 Cb 0.56 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.45 1pma n ARG 70 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1pma n ARG 71 N -0.19 -1.47 -3.74 5.56 3.00 0.14 -4.92 116.66 115.04 1pma n ARG 71 Ca 0.13 0.95 -0.12 0.00 -0.00 0.00 0.00 57.85 58.80 1pma n ARG 71 Cb 0.40 -5.25 -0.08 0.00 0.00 0.00 0.00 32.46 27.53 1pma n ARG 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1pma s VAL 72 N -2.25 0.07 0.34 5.15 0.11 -1.23 -5.05 120.40 117.55 1pma s VAL 72 Ca 0.00 -0.59 -0.26 0.00 -2.93 0.00 0.00 61.98 58.20 1pma s VAL 72 Cb 0.00 -0.85 -0.09 0.00 -1.53 0.00 0.00 36.38 33.91 1pma s VAL 72 CO 0.00 -0.32 1.01 0.20 -3.33 0.00 0.00 175.10 172.66 1pma s ASN 73 N -1.83 7.10 0.00 3.54 -0.87 -1.26 -4.23 114.94 117.39 1pma s ASN 73 Ca -0.08 1.99 -0.30 0.00 -1.57 0.00 0.00 52.86 52.90 1pma s ASN 73 Cb -0.02 -2.59 -0.06 0.00 -0.02 0.00 0.00 41.25 38.56 1pma s ASN 73 CO -0.01 -0.24 1.41 -0.32 -2.57 0.00 0.00 177.10 175.37 1pma s MET 74 N -2.11 4.28 0.73 -0.60 -2.45 -1.26 -4.98 119.30 112.91 1pma s MET 74 Ca 0.52 1.98 -0.16 0.00 -1.25 0.00 0.00 55.69 56.78 1pma s MET 74 Cb -0.22 -3.58 0.00 0.00 1.25 0.00 0.00 34.83 32.28 1pma s MET 74 CO 0.28 -0.58 0.91 -2.30 1.05 0.00 0.00 175.02 174.38 1pma n PRO 75 N 5.39 0.46 0.08 4.11 -0.02 -1.26 -4.75 135.00 139.01 1pma n PRO 75 Ca 0.13 0.21 -0.13 0.00 -2.02 0.00 0.00 63.50 61.70 1pma n PRO 75 Cb 0.44 -2.17 -0.07 0.00 -0.02 0.00 0.00 33.50 31.67 1pma n PRO 75 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1pma h ILE 76 N -0.30 0.92 -0.20 4.25 1.08 -1.94 -1.87 117.51 119.45 1pma h ILE 76 Ca -0.47 -0.04 0.06 0.00 -0.39 0.00 0.00 64.86 64.02 1pma h ILE 76 Cb 1.33 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 36.02 1pma h ILE 76 CO 0.46 0.01 0.15 -0.08 -0.69 0.00 0.00 178.15 178.00 1pma h GLU 77 N -0.14 0.00 0.30 2.37 4.81 -1.99 -0.88 114.58 119.05 1pma h GLU 77 Ca -0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1pma h GLU 77 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1pma h GLU 77 CO 0.02 0.00 -0.14 0.00 -0.73 0.00 0.00 179.01 178.16 1pma h ALA 78 N 1.89 -0.40 -0.52 2.92 0.00 -1.73 0.97 119.26 122.39 1pma h ALA 78 Ca 0.09 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1pma h ALA 78 Cb 0.39 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1pma h ALA 78 CO -0.00 -0.54 0.35 -0.24 0.00 0.00 0.00 179.25 178.82 1pma h VAL 79 N -0.77 0.97 0.42 0.00 3.04 -0.58 0.21 116.25 119.53 1pma h VAL 79 Ca -0.04 -0.15 -0.02 0.00 -1.01 0.00 0.00 66.70 65.48 1pma h VAL 79 Cb 0.51 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 1pma h VAL 79 CO 0.07 0.08 -0.20 0.00 -1.01 0.00 0.00 177.57 176.51 1pma h ALA 80 N 1.72 -0.56 -0.22 3.17 0.00 -1.05 -1.76 119.26 120.57 1pma h ALA 80 Ca 0.23 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1pma h ALA 80 Cb 0.33 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1pma h ALA 80 CO -0.06 -0.67 -0.32 1.15 0.00 0.00 0.00 179.25 179.34 1pma h THR 81 N -0.84 0.27 -0.49 0.00 2.02 0.21 0.26 112.91 114.33 1pma h THR 81 Ca -0.06 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.18 1pma h THR 81 Cb 0.55 0.27 -0.09 0.00 -1.74 0.00 0.00 68.15 67.14 1pma h THR 81 CO 0.09 0.00 -0.54 0.25 0.37 0.00 0.00 175.52 175.69 1pma h LEU 82 N -0.35 -1.84 -0.34 2.58 5.85 -0.59 0.19 115.31 120.82 1pma h LEU 82 Ca 0.12 0.25 0.07 0.00 0.84 0.00 0.00 57.88 59.17 1pma h LEU 82 Cb 0.54 0.77 -0.08 0.00 0.37 0.00 0.00 40.66 42.26 1pma h LEU 82 CO -0.41 -0.38 -0.20 0.25 -0.34 0.00 0.00 178.44 177.36 1pma h LEU 83 N -0.33 -0.65 -0.47 2.25 5.85 -0.45 -1.34 115.31 120.16 1pma h LEU 83 Ca 0.10 0.14 0.09 0.00 0.84 0.00 0.00 57.88 59.05 1pma h LEU 83 Cb 0.57 0.34 -0.10 0.00 0.37 0.00 0.00 40.66 41.84 1pma h LEU 83 CO -0.64 -0.23 -0.30 -1.28 -0.34 0.00 0.00 178.44 175.64 1pma h SER 84 N -0.15 -1.03 -0.30 1.25 0.87 0.23 0.69 113.55 115.12 1pma h SER 84 Ca 0.17 0.20 0.05 0.00 -1.23 0.00 0.00 61.79 60.98 1pma h SER 84 Cb 0.41 0.51 -0.05 0.00 -0.44 0.00 0.00 62.40 62.83 1pma h SER 84 CO -0.43 -0.30 0.00 0.78 -0.53 0.00 0.00 176.83 176.35 1pma h ASN 85 N -0.19 -0.12 -0.07 6.23 4.21 -0.07 -1.85 115.58 123.71 1pma h ASN 85 Ca 0.20 0.07 0.04 0.00 1.21 0.00 0.00 56.30 57.82 1pma h ASN 85 Cb 0.53 0.12 -0.06 0.00 -1.12 0.00 0.00 38.32 37.79 1pma h ASN 85 CO -0.58 -0.02 -0.34 0.24 -1.29 0.00 0.00 177.43 175.43 1pma h MET 86 N 0.09 -0.44 -0.07 0.81 2.86 0.16 -0.95 114.93 117.39 1pma h MET 86 Ca 0.14 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1pma h MET 86 Cb 0.19 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 1pma h MET 86 CO -0.24 -0.29 0.03 -0.07 1.06 0.00 0.00 176.91 177.40 1pma h LEU 87 N -0.45 0.10 -0.89 1.22 4.07 -1.15 -3.03 115.31 115.17 1pma h LEU 87 Ca 0.08 -0.18 -0.04 0.00 0.08 0.00 0.00 57.88 57.82 1pma h LEU 87 Cb 0.57 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.25 1pma h LEU 87 CO -0.32 0.25 0.30 -1.13 -1.08 0.00 0.00 178.44 176.46 1pma h ASN 88 N -0.06 1.02 0.00 -0.43 -0.73 -1.29 -1.54 115.58 112.56 1pma h ASN 88 Ca 0.02 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.04 1pma h ASN 88 Cb 0.18 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 38.51 1pma h ASN 88 CO -0.00 0.91 0.24 -0.61 -0.37 0.00 0.00 177.43 177.60 1pma h GLN 89 N 1.09 0.00 -0.40 6.67 4.15 -1.04 0.40 115.11 125.97 1pma h GLN 89 Ca 0.25 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.38 1pma h GLN 89 Cb 0.20 0.00 -0.35 0.00 0.21 0.00 0.00 27.48 27.54 1pma h GLN 89 CO -0.02 0.00 -0.92 1.55 -1.93 0.00 0.00 178.83 177.50 1pma n VAL 90 N -2.52 1.59 -0.10 2.39 3.14 -0.61 -4.87 118.33 117.35 1pma n VAL 90 Ca -0.02 -3.05 0.11 0.00 -2.96 0.00 0.00 64.34 58.42 1pma n VAL 90 Cb 0.28 0.27 0.48 0.00 -1.06 0.00 0.00 33.84 33.80 1pma n VAL 90 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 1pma h LYS 91 N 1.98 0.45 0.00 1.45 2.10 -0.58 -1.01 116.57 120.95 1pma h LYS 91 Ca 0.03 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1pma h LYS 91 Cb 1.42 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1pma h LYS 91 CO 0.32 0.30 0.00 0.66 -2.00 0.00 0.00 179.45 178.73 1pma n TYR 92 N -4.47 0.00 -2.76 0.07 4.01 -1.26 -3.54 117.16 109.21 1pma n TYR 92 Ca 0.10 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.75 1pma n TYR 92 Cb 0.34 -0.14 0.08 0.00 -0.31 0.00 0.00 39.34 39.32 1pma n TYR 92 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1pma n MET 93 N -1.14 1.10 -0.85 -0.72 2.81 -0.82 -5.15 117.12 112.36 1pma n MET 93 Ca 0.18 -2.19 -0.33 0.00 -1.81 0.00 0.00 57.70 53.56 1pma n MET 93 Cb 0.16 -0.71 0.14 0.00 -0.71 0.00 0.00 33.22 32.09 1pma n MET 93 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1pma n PRO 94 N -0.10 -0.22 -3.02 0.03 -0.04 -0.45 -4.97 135.00 126.24 1pma n PRO 94 Ca 0.05 -0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.07 1pma n PRO 94 Cb 0.77 -2.16 -0.06 0.00 -0.04 0.00 0.00 33.50 32.02 1pma n PRO 94 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1pma s TYR 95 N -2.39 2.98 -0.90 0.54 2.02 -1.26 -4.93 117.35 113.40 1pma s TYR 95 Ca 0.64 -0.10 -0.25 0.00 -0.37 0.00 0.00 57.07 57.00 1pma s TYR 95 Cb -0.24 -3.64 -0.05 0.00 -0.40 0.00 0.00 41.96 37.63 1pma s TYR 95 CO 0.60 -1.05 1.96 -1.64 -1.57 0.00 0.00 175.55 173.85 1pma s MET 96 N 3.15 2.53 0.18 -0.62 -1.94 -1.26 -4.71 119.30 116.64 1pma s MET 96 Ca 0.24 -0.27 -0.13 0.00 -1.71 0.00 0.00 55.69 53.83 1pma s MET 96 Cb -0.14 -5.05 0.01 0.00 2.01 0.00 0.00 34.83 31.65 1pma s MET 96 CO 0.18 -3.40 0.40 0.54 -0.01 0.00 0.00 175.02 172.74 1pma s VAL 97 N 10.19 0.04 -0.18 -6.03 0.11 -1.26 -1.42 120.40 121.85 1pma s VAL 97 Ca 0.71 -1.13 -0.04 0.00 -2.93 0.00 0.00 61.98 58.59 1pma s VAL 97 Cb -0.07 -1.75 0.06 0.00 -1.53 0.00 0.00 36.38 33.09 1pma s VAL 97 CO -0.00 -0.20 0.07 -1.58 -3.33 0.00 0.00 175.10 170.06 1pma s GLN 98 N -3.93 0.28 -0.02 1.54 0.74 0.17 -3.11 119.66 115.34 1pma s GLN 98 Ca 0.14 -0.20 0.01 0.00 0.05 0.00 0.00 55.36 55.36 1pma s GLN 98 Cb 0.01 -1.90 -0.03 0.00 1.10 0.00 0.00 33.01 32.18 1pma s GLN 98 CO -0.01 -0.65 -0.01 -0.51 -0.55 0.00 0.00 175.29 173.57 1pma s LEU 99 N 2.03 3.48 -0.14 3.68 1.43 -0.82 -2.46 118.68 125.89 1pma s LEU 99 Ca 0.01 0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1pma s LEU 99 Cb -0.16 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.12 1pma s LEU 99 CO -0.08 0.30 -0.16 -0.22 0.23 0.00 0.00 176.35 176.42 1pma s LEU 100 N -1.41 1.76 -0.09 1.79 2.96 -0.74 -0.81 118.68 122.13 1pma s LEU 100 Ca 0.18 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 1pma s LEU 100 Cb -0.11 -1.19 0.02 0.00 0.50 0.00 0.00 46.19 45.40 1pma s LEU 100 CO 0.08 -0.02 -0.12 0.54 -1.32 0.00 0.00 176.35 175.52 1pma s VAL 101 N 1.25 1.21 0.25 1.68 0.11 -0.20 0.03 120.40 124.73 1pma s VAL 101 Ca -0.00 -0.47 0.06 0.00 -2.93 0.00 0.00 61.98 58.64 1pma s VAL 101 Cb -0.14 -1.14 -0.05 0.00 -1.53 0.00 0.00 36.38 33.52 1pma s VAL 101 CO -0.07 0.38 -0.07 -0.83 -3.33 0.00 0.00 175.10 171.18 1pma s GLY 102 N 1.08 1.65 0.00 6.54 0.00 -0.87 0.45 107.32 116.17 1pma s GLY 102 Ca -0.06 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 42.86 1pma s GLY 102 CO -0.02 -1.78 0.00 0.61 0.00 0.00 0.00 173.10 171.91 1pma n GLY 103 N -0.49 -0.93 2.67 0.20 0.00 -1.03 -1.40 105.19 104.21 1pma n GLY 103 Ca -0.06 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 44.65 1pma n GLY 103 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pma s ILE 104 N -2.00 -0.05 0.00 -0.61 2.07 -1.03 -0.08 121.20 119.49 1pma s ILE 104 Ca 0.00 0.31 0.00 0.00 -1.41 0.00 0.00 60.65 59.55 1pma s ILE 104 Cb 0.00 -0.26 0.00 0.00 0.13 0.00 0.00 42.46 42.33 1pma s ILE 104 CO 0.00 0.12 0.00 -0.90 -1.91 0.00 0.00 174.94 172.25 1pma n ASP 105 N 5.28 0.00 0.28 4.50 5.68 -1.26 -4.83 116.55 126.20 1pma n ASP 105 Ca -0.04 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.40 1pma n ASP 105 Cb 0.50 0.00 0.79 0.00 -1.14 0.00 0.00 41.12 41.27 1pma n ASP 105 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pma h THR 106 N 0.00 0.36 -3.24 2.12 1.03 -2.02 -3.45 112.91 107.72 1pma h THR 106 Ca 0.00 -0.46 0.02 0.00 -0.01 0.00 0.00 66.41 65.96 1pma h THR 106 Cb 0.00 1.34 -0.06 0.00 -1.07 0.00 0.00 68.15 68.35 1pma h THR 106 CO 0.00 0.08 0.10 0.00 -0.01 0.00 0.00 175.52 175.69 1pma s ALA 107 N -4.06 -0.85 0.79 0.00 0.00 -1.26 -5.17 121.76 111.21 1pma s ALA 107 Ca -0.02 -0.53 -0.11 0.00 0.00 0.00 0.00 51.96 51.30 1pma s ALA 107 Cb 0.12 0.93 0.07 0.00 0.00 0.00 0.00 23.12 24.24 1pma s ALA 107 CO 0.55 -0.97 1.09 -2.14 0.00 0.00 0.00 175.76 174.28 1pma s PRO 108 N -3.92 2.13 0.25 0.00 0.02 -1.26 -4.36 135.00 127.85 1pma s PRO 108 Ca 0.15 0.84 -0.19 0.00 0.02 0.00 0.00 61.00 61.82 1pma s PRO 108 Cb -0.04 -1.91 0.02 0.00 0.02 0.00 0.00 34.50 32.60 1pma s PRO 108 CO 0.08 -1.64 0.64 -1.01 -0.33 0.00 0.00 177.00 174.73 1pma s HIS 109 N -3.04 -0.14 -0.30 6.54 3.76 0.88 -4.89 115.29 118.10 1pma s HIS 109 Ca 0.61 -0.26 -0.11 0.00 -0.15 0.00 0.00 55.06 55.15 1pma s HIS 109 Cb -0.16 0.56 0.17 0.00 1.11 0.00 0.00 32.58 34.26 1pma s HIS 109 CO 0.55 -1.10 0.90 0.54 -0.85 0.00 0.00 174.74 174.78 1pma s VAL 110 N -3.91 -0.60 0.11 -0.90 0.11 -1.26 -2.47 120.40 111.49 1pma s VAL 110 Ca 0.11 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.24 1pma s VAL 110 Cb -0.04 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 1pma s VAL 110 CO 0.03 0.00 -0.13 -0.36 -3.33 0.00 0.00 175.10 171.31 1pma s PHE 111 N 2.72 2.66 -0.23 1.54 0.40 0.17 -2.70 117.98 122.54 1pma s PHE 111 Ca 0.02 -0.20 -0.05 0.00 -0.60 0.00 0.00 56.93 56.10 1pma s PHE 111 Cb -0.10 -1.40 -0.02 0.00 0.51 0.00 0.00 43.02 42.02 1pma s PHE 111 CO -0.16 0.41 0.01 0.45 0.70 0.00 0.00 175.22 176.62 1pma s SER 112 N -2.17 4.70 -0.06 1.36 0.15 0.87 -1.03 113.70 117.53 1pma s SER 112 Ca 0.20 -0.29 0.06 0.00 0.70 0.00 0.00 55.95 56.61 1pma s SER 112 Cb -0.11 -1.82 -0.01 0.00 -1.71 0.00 0.00 66.02 62.37 1pma s SER 112 CO 0.12 -0.02 -0.24 -0.63 1.20 0.00 0.00 173.24 173.68 1pma s ILE 113 N 1.48 2.17 0.36 6.45 -1.09 0.01 -1.16 121.20 129.43 1pma s ILE 113 Ca 0.06 -1.03 0.08 0.00 -2.23 0.00 0.00 60.65 57.53 1pma s ILE 113 Cb -0.15 -1.79 -0.03 0.00 -1.58 0.00 0.00 42.46 38.91 1pma s ILE 113 CO 0.00 0.57 0.23 1.51 -1.23 0.00 0.00 174.94 176.03 1pma s ASP 114 N -0.20 4.90 0.00 3.58 1.47 -0.33 -1.94 116.67 124.15 1pma s ASP 114 Ca -0.02 -0.72 0.00 0.00 1.18 0.00 0.00 52.55 52.99 1pma s ASP 114 Cb -0.13 -0.75 0.00 0.00 -0.34 0.00 0.00 42.92 41.70 1pma s ASP 114 CO 0.03 -0.40 0.78 0.00 0.68 0.00 0.00 175.17 176.26 1pma n ALA 115 N -1.30 0.95 -0.11 2.11 0.00 -1.18 -0.18 120.51 120.80 1pma n ALA 115 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.49 1pma n ALA 115 Cb 0.61 -0.83 0.16 0.00 0.00 0.00 0.00 19.45 19.39 1pma n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pma n ALA 116 N -1.28 2.24 -0.84 0.00 0.00 -1.26 -4.57 120.51 114.80 1pma n ALA 116 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.34 1pma n ALA 116 Cb 0.06 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1pma n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pma n GLY 117 N 0.69 0.55 3.68 0.00 0.00 0.75 -3.72 105.19 107.14 1pma n GLY 117 Ca 0.13 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1pma n GLY 117 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pma s GLY 118 N -2.27 2.17 -0.06 -0.02 0.00 -1.25 -4.69 107.32 101.20 1pma s GLY 118 Ca 0.00 0.39 0.04 0.00 0.00 0.00 0.00 44.72 45.15 1pma s GLY 118 CO 0.00 2.04 -0.18 -0.45 0.00 0.00 0.00 173.10 174.52 1pma s SER 119 N 1.22 2.29 -0.06 1.64 0.15 -1.26 -1.19 113.70 116.48 1pma s SER 119 Ca 0.49 -0.39 -0.09 0.00 0.70 0.00 0.00 55.95 56.67 1pma s SER 119 Cb -0.19 -0.80 0.02 0.00 -1.71 0.00 0.00 66.02 63.34 1pma s SER 119 CO 0.17 0.13 0.23 0.54 1.20 0.00 0.00 173.24 175.51 1pma s VAL 120 N 0.21 0.02 -0.03 4.45 0.11 -0.31 -4.97 120.40 119.89 1pma s VAL 120 Ca -0.09 -0.17 -0.01 0.00 -2.93 0.00 0.00 61.98 58.78 1pma s VAL 120 Cb -0.14 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 1pma s VAL 120 CO 0.04 -0.09 0.08 -0.70 -3.33 0.00 0.00 175.10 171.09 1pma s GLU 121 N -0.29 3.10 0.19 1.54 2.12 -1.26 -0.09 118.70 124.01 1pma s GLU 121 Ca -0.04 -0.43 0.03 0.00 0.36 0.00 0.00 54.97 54.89 1pma s GLU 121 Cb -0.03 -2.89 -0.01 0.00 0.26 0.00 0.00 34.13 31.46 1pma s GLU 121 CO 0.01 0.67 0.19 -3.47 -0.54 0.00 0.00 175.26 172.11 1pma n ASP 122 N 1.39 -0.48 -0.26 -1.70 2.03 -1.10 -5.00 116.55 111.43 1pma n ASP 122 Ca -0.14 -2.20 0.12 0.00 0.52 0.00 0.00 54.79 53.09 1pma n ASP 122 Cb 0.53 1.05 0.25 0.00 -0.72 0.00 0.00 41.12 42.23 1pma n ASP 122 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1pma n ILE 123 N -0.35 0.00 0.00 5.18 -0.00 -1.26 -4.45 119.36 118.47 1pma n ILE 123 Ca 0.03 -0.13 0.00 0.00 -0.00 0.00 0.00 62.75 62.65 1pma n ILE 123 Cb 0.34 0.60 0.00 0.00 -0.00 0.00 0.00 39.64 40.58 1pma n ILE 123 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1pma n TYR 124 N -0.67 0.00 -3.60 4.28 4.11 -1.26 -0.80 117.16 119.22 1pma n TYR 124 Ca 0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.91 1pma n TYR 124 Cb 0.37 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.65 1pma n TYR 124 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1pma s ALA 125 N -2.00 -1.96 0.26 -3.48 0.00 -0.15 -5.00 121.76 109.43 1pma s ALA 125 Ca 0.00 1.69 0.11 0.00 0.00 0.00 0.00 51.96 53.76 1pma s ALA 125 Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 1pma s ALA 125 CO 0.00 -0.28 -0.13 0.45 0.00 0.00 0.00 175.76 175.80 1pma s SER 126 N -0.66 3.93 -0.00 0.00 0.15 -1.26 -1.52 113.70 114.33 1pma s SER 126 Ca 0.00 -0.86 -0.03 0.00 0.70 0.00 0.00 55.95 55.76 1pma s SER 126 Cb -0.02 -0.50 -0.00 0.00 -1.71 0.00 0.00 66.02 63.79 1pma s SER 126 CO -0.02 0.04 0.06 -0.89 1.20 0.00 0.00 173.24 173.63 1pma s THR 127 N -2.31 0.07 0.00 6.45 2.01 -0.06 -4.93 115.64 116.87 1pma s THR 127 Ca 0.29 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 61.75 1pma s THR 127 Cb -0.06 -0.27 0.00 0.00 0.01 0.00 0.00 72.50 72.18 1pma s THR 127 CO 0.16 -0.30 0.00 0.61 -0.69 0.00 0.00 174.62 174.40 1pma n GLY 128 N 2.02 2.19 0.49 4.40 0.00 -1.26 -0.78 105.19 112.26 1pma n GLY 128 Ca -0.20 -2.11 0.32 0.00 0.00 0.00 0.00 46.02 44.04 1pma n GLY 128 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1pma h SER 129 N 0.00 0.17 -0.42 1.61 0.87 -0.98 0.78 113.55 115.58 1pma h SER 129 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1pma h SER 129 Cb 0.00 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1pma h SER 129 CO 0.00 0.01 0.00 0.61 -0.53 0.00 0.00 176.83 176.92 1pma n GLY 130 N -1.65 1.86 0.37 5.77 0.00 -1.17 -4.76 105.19 105.59 1pma n GLY 130 Ca 0.28 -0.68 -0.03 0.00 0.00 0.00 0.00 46.02 45.58 1pma n GLY 130 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pma n SER 131 N 1.36 -0.70 -0.14 1.61 7.64 0.27 -1.60 113.62 122.06 1pma n SER 131 Ca 0.19 1.63 -0.07 0.00 1.01 0.00 0.00 58.87 61.62 1pma n SER 131 Cb 0.57 -0.33 -0.02 0.00 -1.01 0.00 0.00 64.21 63.42 1pma n SER 131 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1pma h PRO 132 N 0.00 -0.24 -0.35 1.43 0.11 -1.86 0.25 132.00 131.34 1pma h PRO 132 Ca 0.28 0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.48 1pma h PRO 132 Cb 0.51 0.05 -0.08 0.00 0.11 0.00 0.00 31.00 31.59 1pma h PRO 132 CO -0.91 -0.16 -0.24 0.74 -0.21 0.00 0.00 178.00 177.22 1pma h PHE 133 N -0.25 -0.63 -0.43 0.65 0.04 -1.68 0.26 116.94 114.90 1pma h PHE 133 Ca 0.18 0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.99 1pma h PHE 133 Cb 0.55 0.33 -0.02 0.00 2.20 0.00 0.00 35.95 39.01 1pma h PHE 133 CO -0.57 -0.32 0.25 -0.24 -0.60 0.00 0.00 178.31 176.83 1pma h VAL 134 N -0.19 1.15 -0.09 -0.55 3.04 -1.42 0.10 116.25 118.29 1pma h VAL 134 Ca 0.17 -0.36 0.03 0.00 -1.01 0.00 0.00 66.70 65.53 1pma h VAL 134 Cb 0.46 0.61 -0.00 0.00 -2.01 0.00 0.00 31.29 30.35 1pma h VAL 134 CO -0.47 0.15 0.30 1.88 -1.01 0.00 0.00 177.57 178.42 1pma h TYR 135 N 0.56 0.00 0.14 3.17 0.05 0.89 0.24 116.97 122.02 1pma h TYR 135 Ca 0.15 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 1pma h TYR 135 Cb 0.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.77 1pma h TYR 135 CO -0.03 0.00 -0.07 0.78 -1.05 0.00 0.00 178.16 177.79 1pma h GLY 136 N 0.00 -0.20 1.85 3.88 0.00 0.11 -2.18 103.07 106.53 1pma h GLY 136 Ca 0.04 0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 1pma h GLY 136 CO -0.00 -0.07 0.07 -0.39 0.00 0.00 0.00 176.54 176.15 1pma h VAL 137 N -0.53 1.06 -0.08 4.60 -1.51 -1.09 -0.75 116.25 117.94 1pma h VAL 137 Ca -0.02 -0.16 -0.01 0.00 -1.23 0.00 0.00 66.70 65.29 1pma h VAL 137 Cb 0.15 0.87 -0.00 0.00 -2.13 0.00 0.00 31.29 30.17 1pma h VAL 137 CO 0.03 0.06 0.01 0.25 -1.23 0.00 0.00 177.57 176.70 1pma h LEU 138 N 0.20 0.13 -2.24 4.19 5.85 -0.68 0.30 115.31 123.06 1pma h LEU 138 Ca 0.05 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1pma h LEU 138 Cb 0.02 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1pma h LEU 138 CO -0.01 0.35 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.32 1pma h GLU 139 N -0.10 0.00 0.07 1.25 4.57 -0.61 -0.73 114.58 119.04 1pma h GLU 139 Ca 0.02 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.98 1pma h GLU 139 Cb 0.28 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1pma h GLU 139 CO 0.00 0.04 -1.16 1.03 -1.18 0.00 0.00 179.01 177.74 1pma h SER 140 N 0.00 0.24 -0.00 1.04 0.87 -0.55 -3.43 113.55 111.72 1pma h SER 140 Ca -0.00 -0.80 0.00 0.00 -1.23 0.00 0.00 61.79 59.76 1pma h SER 140 Cb 0.10 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1pma h SER 140 CO 0.01 1.50 -0.15 0.00 -0.53 0.00 0.00 176.83 177.65 1pma n GLN 141 N -4.14 2.30 -2.29 2.24 6.02 0.98 -5.02 117.38 117.48 1pma n GLN 141 Ca -0.24 -0.50 -0.41 0.00 -0.01 0.00 0.00 57.00 55.84 1pma n GLN 141 Cb 0.79 -0.99 -0.03 0.00 1.02 0.00 0.00 30.24 31.03 1pma n GLN 141 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1pma s TYR 142 N -1.10 3.33 -0.07 1.08 5.04 -0.29 -5.01 117.35 120.33 1pma s TYR 142 Ca 0.06 1.39 -0.03 0.00 -2.44 0.00 0.00 57.07 56.05 1pma s TYR 142 Cb 0.06 -3.51 0.04 0.00 0.35 0.00 0.00 41.96 38.90 1pma s TYR 142 CO 0.18 -1.46 0.14 0.45 -1.34 0.00 0.00 175.55 173.52 1pma s SER 143 N -0.04 0.63 0.19 4.32 0.15 -1.26 -4.99 113.70 112.69 1pma s SER 143 Ca 0.52 0.28 0.12 0.00 0.70 0.00 0.00 55.95 57.58 1pma s SER 143 Cb -0.35 0.19 0.68 0.00 -1.71 0.00 0.00 66.02 64.82 1pma s SER 143 CO 0.40 -0.22 1.38 -1.84 1.20 0.00 0.00 173.24 174.16 1pma n GLU 144 N 5.08 0.08 -0.55 5.44 -0.00 -1.26 -1.19 120.64 128.24 1pma n GLU 144 Ca -0.09 0.58 0.03 0.00 -0.00 0.00 0.00 57.16 57.67 1pma n GLU 144 Cb 0.50 -1.77 0.23 0.00 -0.00 0.00 0.00 31.44 30.40 1pma n GLU 144 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1pma n LYS 145 N -1.94 3.20 -2.18 3.44 5.02 -1.26 -4.19 118.16 120.25 1pma n LYS 145 Ca -0.01 -1.86 -0.27 0.00 -2.02 0.00 0.00 58.31 54.16 1pma n LYS 145 Cb 0.03 -1.94 0.11 0.00 -0.02 0.00 0.00 35.03 33.20 1pma n LYS 145 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1pma s MET 146 N -2.04 1.71 0.15 1.97 -1.94 -0.34 -5.09 119.30 113.72 1pma s MET 146 Ca 0.32 -0.42 0.06 0.00 -1.71 0.00 0.00 55.69 53.95 1pma s MET 146 Cb 0.25 -2.10 -0.04 0.00 2.01 0.00 0.00 34.83 34.95 1pma s MET 146 CO 0.09 -1.59 0.04 0.95 -0.01 0.00 0.00 175.02 174.50 1pma s THR 147 N -3.41 3.99 0.57 2.05 -4.23 -1.26 -4.78 115.64 108.57 1pma s THR 147 Ca 0.65 -1.23 0.33 0.00 -1.18 0.00 0.00 61.69 60.26 1pma s THR 147 Cb -0.08 -2.99 0.48 0.00 1.34 0.00 0.00 72.50 71.25 1pma s THR 147 CO 0.47 -0.06 1.74 1.62 -0.54 0.00 0.00 174.62 177.85 1pma h VAL 148 N 2.45 0.30 0.09 2.29 3.04 -1.99 0.39 116.25 122.83 1pma h VAL 148 Ca -0.47 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.09 1pma h VAL 148 Cb 1.19 0.39 0.01 0.00 -2.01 0.00 0.00 31.29 30.87 1pma h VAL 148 CO 0.60 0.00 -0.55 -0.78 -1.01 0.00 0.00 177.57 175.83 1pma h ASP 149 N 0.00 0.31 -0.66 3.17 1.82 -2.00 -2.40 116.42 116.66 1pma h ASP 149 Ca 0.46 -0.97 0.09 0.00 -0.39 0.00 0.00 57.03 56.21 1pma h ASP 149 Cb 2.10 -0.10 -0.07 0.00 0.68 0.00 0.00 39.33 41.94 1pma h ASP 149 CO -0.00 1.27 0.31 -0.33 -1.61 0.00 0.00 179.24 178.87 1pma h GLU 150 N -0.58 0.53 0.24 0.28 5.08 -0.74 -2.07 114.58 117.33 1pma h GLU 150 Ca -0.10 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1pma h GLU 150 Cb 1.43 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 1pma h GLU 150 CO 0.10 0.35 -0.44 0.78 -1.00 0.00 0.00 179.01 178.80 1pma h GLY 151 N 0.54 -1.18 -0.43 -3.84 0.00 -0.89 0.05 103.07 97.32 1pma h GLY 151 Ca 0.32 0.60 0.32 0.00 0.00 0.00 0.00 47.33 48.56 1pma h GLY 151 CO -0.26 -0.32 0.71 -0.24 0.00 0.00 0.00 176.54 176.43 1pma h VAL 152 N -0.73 0.39 0.05 4.60 3.04 -0.86 0.40 116.25 123.14 1pma h VAL 152 Ca -0.03 -0.10 -0.00 0.00 -1.01 0.00 0.00 66.70 65.56 1pma h VAL 152 Cb 0.69 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.03 1pma h VAL 152 CO -0.16 0.06 -0.02 0.44 -1.01 0.00 0.00 177.57 176.87 1pma h ASP 153 N 0.30 -0.06 -0.46 3.17 5.19 -0.66 -2.37 116.42 121.54 1pma h ASP 153 Ca 0.67 -0.44 0.09 0.00 -0.62 0.00 0.00 57.03 56.73 1pma h ASP 153 Cb 1.81 0.01 -0.10 0.00 0.18 0.00 0.00 39.33 41.24 1pma h ASP 153 CO -0.36 0.42 -0.32 0.25 -3.12 0.00 0.00 179.24 176.11 1pma h LEU 154 N -0.55 -1.08 -0.27 1.55 5.85 0.16 0.39 115.31 121.35 1pma h LEU 154 Ca -0.01 0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.98 1pma h LEU 154 Cb 0.49 0.52 -0.07 0.00 0.37 0.00 0.00 40.66 41.97 1pma h LEU 154 CO 0.01 -0.31 -0.19 0.58 -0.34 0.00 0.00 178.44 178.19 1pma h VAL 155 N -0.22 0.48 -0.86 1.05 2.07 -1.03 0.49 116.25 118.24 1pma h VAL 155 Ca 0.19 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.78 1pma h VAL 155 Cb 0.54 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1pma h VAL 155 CO -0.58 0.00 0.53 0.40 0.02 0.00 0.00 177.57 177.94 1pma h ILE 156 N -0.17 1.02 0.47 4.57 2.04 -0.52 -0.96 117.51 123.96 1pma h ILE 156 Ca 0.15 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1pma h ILE 156 Cb 0.39 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1pma h ILE 156 CO -0.37 0.17 -0.25 0.03 0.00 0.00 0.00 178.15 177.73 1pma h ARG 157 N 0.95 -0.64 -0.03 2.37 3.08 0.29 0.40 114.38 120.80 1pma h ARG 157 Ca 0.38 0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.49 1pma h ARG 157 Cb 0.20 0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 1pma h ARG 157 CO -0.19 -0.43 -0.48 0.00 -1.07 0.00 0.00 179.97 177.81 1pma h ALA 158 N -0.15 -0.89 -0.90 0.04 0.00 -0.33 0.17 119.26 117.20 1pma h ALA 158 Ca -0.06 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.88 1pma h ALA 158 Cb 0.53 0.92 -0.07 0.00 0.00 0.00 0.00 17.79 19.17 1pma h ALA 158 CO 0.09 -1.04 0.58 0.82 0.00 0.00 0.00 179.25 179.70 1pma h ILE 159 N -0.58 0.96 -0.27 0.00 2.04 -1.17 0.37 117.51 118.87 1pma h ILE 159 Ca 0.01 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 1pma h ILE 159 Cb 0.63 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1pma h ILE 159 CO -0.33 0.16 -0.10 0.28 0.00 0.00 0.00 178.15 178.16 1pma h SER 160 N 0.89 0.42 -0.03 1.72 0.02 0.53 -0.64 113.55 116.47 1pma h SER 160 Ca 0.42 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1pma h SER 160 Cb 0.42 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 1pma h SER 160 CO -0.18 0.56 0.00 0.00 -1.14 0.00 0.00 176.83 176.07 1pma h ALA 161 N 1.49 0.04 -0.98 3.77 0.00 0.26 -2.78 119.26 121.06 1pma h ALA 161 Ca 0.08 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1pma h ALA 161 Cb 0.43 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1pma h ALA 161 CO 0.02 -0.32 0.63 0.00 0.00 0.00 0.00 179.25 179.59 1pma h ALA 162 N 0.75 1.38 -0.11 0.00 0.00 -1.04 0.53 119.26 120.78 1pma h ALA 162 Ca 0.01 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1pma h ALA 162 Cb 0.28 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1pma h ALA 162 CO 0.00 0.39 0.11 0.87 0.00 0.00 0.00 179.25 180.61 1pma h LYS 163 N 1.12 0.00 -0.06 0.00 1.57 -0.84 -1.39 116.57 116.97 1pma h LYS 163 Ca 0.44 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.10 1pma h LYS 163 Cb 0.22 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.53 1pma h LYS 163 CO -0.19 0.00 -0.40 1.96 -0.57 0.00 0.00 179.45 180.25 1pma h GLN 164 N 0.00 0.38 -0.17 3.15 1.08 -0.76 -3.34 115.11 115.46 1pma h GLN 164 Ca 0.05 -0.33 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 1pma h GLN 164 Cb 0.27 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1pma h GLN 164 CO -0.00 0.98 0.00 0.54 -0.95 0.00 0.00 178.83 179.40 1pma n ARG 165 N -4.35 2.19 -3.71 1.46 3.00 -1.02 -4.84 116.66 109.39 1pma n ARG 165 Ca -0.09 -1.77 -0.29 0.00 -0.01 0.00 0.00 57.85 55.70 1pma n ARG 165 Cb 0.55 -1.47 -0.16 0.00 0.00 0.00 0.00 32.46 31.38 1pma n ARG 165 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1pma s ASP 166 N -1.76 3.38 0.63 0.55 2.15 -0.56 -5.00 116.67 116.06 1pma s ASP 166 Ca 0.34 -1.16 0.40 0.00 0.43 0.00 0.00 52.55 52.56 1pma s ASP 166 Cb 0.21 -0.66 2.20 0.00 -0.30 0.00 0.00 42.92 44.36 1pma s ASP 166 CO 0.31 -0.36 2.24 0.77 -0.17 0.00 0.00 175.17 177.95 1pma h SER 167 N 8.21 0.00 1.69 -0.34 4.64 -1.87 -0.46 113.55 125.42 1pma h SER 167 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1pma h SER 167 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1pma h SER 167 CO 0.40 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.36 1pma h ALA 168 N 1.92 1.00 -3.07 5.18 0.00 -1.94 -3.45 119.26 118.90 1pma h ALA 168 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 1pma h ALA 168 Cb 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1pma h ALA 168 CO 0.00 0.00 -0.56 -1.12 0.00 0.00 0.00 179.25 177.57 1pma s SER 169 N -5.76 5.83 0.00 0.00 0.01 -0.18 -0.45 113.70 113.14 1pma s SER 169 Ca 0.06 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.41 1pma s SER 169 Cb 0.07 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.64 1pma s SER 169 CO 0.62 0.17 0.00 0.61 0.41 0.00 0.00 173.24 175.05 1pma n GLY 170 N 0.38 -2.02 2.20 3.44 0.00 -1.26 -4.84 105.19 103.09 1pma n GLY 170 Ca -0.07 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1pma n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pma n GLY 171 N -0.49 -2.21 3.70 -0.02 0.00 -1.26 -1.58 105.19 103.33 1pma n GLY 171 Ca 0.00 -1.50 -0.44 0.00 0.00 0.00 0.00 46.02 44.09 1pma n GLY 171 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pma n MET 172 N -0.76 2.52 -3.26 1.61 0.00 -1.26 -4.51 117.12 111.46 1pma n MET 172 Ca 0.00 0.91 -0.38 0.00 -0.00 0.00 0.00 57.70 58.23 1pma n MET 172 Cb 0.01 -2.72 -0.06 0.00 0.00 0.00 0.00 33.22 30.45 1pma n MET 172 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 1pma s ILE 173 N 1.03 5.16 0.01 1.12 -1.16 -1.26 -3.38 121.20 122.73 1pma s ILE 173 Ca 0.76 1.04 0.06 0.00 -0.51 0.00 0.00 60.65 62.00 1pma s ILE 173 Cb -0.58 -3.86 -0.02 0.00 0.61 0.00 0.00 42.46 38.62 1pma s ILE 173 CO 0.35 0.30 -0.17 1.51 -2.81 0.00 0.00 174.94 174.12 1pma s ASP 174 N 0.70 2.00 0.12 4.50 1.47 -0.27 -4.88 116.67 120.30 1pma s ASP 174 Ca 0.28 -0.39 0.05 0.00 1.18 0.00 0.00 52.55 53.67 1pma s ASP 174 Cb -0.16 -0.18 -0.04 0.00 -0.34 0.00 0.00 42.92 42.20 1pma s ASP 174 CO 0.12 0.15 -0.12 0.54 0.68 0.00 0.00 175.17 176.53 1pma s VAL 175 N -0.61 1.20 -0.01 2.11 0.11 -1.26 -1.53 120.40 120.41 1pma s VAL 175 Ca 0.05 -1.73 0.00 0.00 -2.93 0.00 0.00 61.98 57.38 1pma s VAL 175 Cb -0.07 -1.51 0.02 0.00 -1.53 0.00 0.00 36.38 33.28 1pma s VAL 175 CO 0.00 -0.49 0.01 0.00 -3.33 0.00 0.00 175.10 171.29 1pma s ALA 176 N -2.35 0.13 -0.06 1.54 0.00 0.16 -1.81 121.76 119.37 1pma s ALA 176 Ca 0.09 0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.20 1pma s ALA 176 Cb -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1pma s ALA 176 CO 0.02 -0.04 -0.15 0.54 0.00 0.00 0.00 175.76 176.12 1pma s VAL 177 N 0.56 2.94 -0.09 0.00 0.11 0.16 -1.19 120.40 122.89 1pma s VAL 177 Ca -0.05 -0.76 0.02 0.00 -2.93 0.00 0.00 61.98 58.26 1pma s VAL 177 Cb -0.07 -2.15 0.02 0.00 -1.53 0.00 0.00 36.38 32.64 1pma s VAL 177 CO -0.01 0.58 -0.12 -0.51 -3.33 0.00 0.00 175.10 171.70 1pma s ILE 178 N -0.57 1.25 0.11 7.04 2.07 0.06 -0.84 121.20 130.32 1pma s ILE 178 Ca 0.08 -0.50 0.03 0.00 -1.41 0.00 0.00 60.65 58.84 1pma s ILE 178 Cb -0.11 -1.16 -0.04 0.00 0.13 0.00 0.00 42.46 41.27 1pma s ILE 178 CO 0.01 0.39 -0.08 0.28 -1.91 0.00 0.00 174.94 173.63 1pma s THR 179 N 0.97 0.86 0.28 4.00 -1.32 -0.44 -1.21 115.64 118.79 1pma s THR 179 Ca -0.08 -1.98 0.02 0.00 -1.21 0.00 0.00 61.69 58.44 1pma s THR 179 Cb -0.15 -1.74 0.09 0.00 -1.51 0.00 0.00 72.50 69.19 1pma s THR 179 CO -0.00 -0.83 1.75 -0.09 -2.21 0.00 0.00 174.62 173.24 1pma h ARG 180 N 2.91 0.56 0.93 7.08 9.65 -1.85 0.52 114.38 134.18 1pma h ARG 180 Ca -0.36 -0.18 -0.05 0.00 -1.10 0.00 0.00 59.98 58.29 1pma h ARG 180 Cb 1.17 -0.05 0.01 0.00 -1.39 0.00 0.00 29.97 29.71 1pma h ARG 180 CO 0.64 0.70 -0.45 -0.22 2.80 0.00 0.00 179.97 183.45 1pma h LYS 181 N 0.51 -1.20 -0.00 0.20 1.63 -1.97 -3.33 116.57 112.41 1pma h LYS 181 Ca 0.09 0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1pma h LYS 181 Cb 0.57 0.27 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 1pma h LYS 181 CO 0.04 -0.80 -0.89 -0.25 -3.45 0.00 0.00 179.45 174.10 1pma n ASP 182 N -5.36 1.10 0.00 4.20 8.00 -1.24 -5.09 116.55 118.16 1pma n ASP 182 Ca -0.15 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.33 1pma n ASP 182 Cb 0.49 0.87 0.00 0.00 -0.02 0.00 0.00 41.12 42.46 1pma n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pma n GLY 183 N 1.49 -0.86 3.64 0.44 0.00 0.18 -4.72 105.19 105.36 1pma n GLY 183 Ca 0.05 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 1pma n GLY 183 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1pma s TYR 184 N 0.00 3.29 -0.07 1.61 6.14 -1.17 -1.32 117.35 125.83 1pma s TYR 184 Ca 0.00 1.15 0.01 0.00 0.64 0.00 0.00 57.07 58.87 1pma s TYR 184 Cb 0.00 -3.15 0.02 0.00 0.42 0.00 0.00 41.96 39.25 1pma s TYR 184 CO 0.00 -0.46 -0.08 0.54 0.64 0.00 0.00 175.55 176.20 1pma s VAL 185 N 2.97 0.85 -0.17 3.14 0.11 -0.02 -4.99 120.40 122.29 1pma s VAL 185 Ca 0.37 -0.27 -0.16 0.00 -2.93 0.00 0.00 61.98 58.99 1pma s VAL 185 Cb -0.15 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 1pma s VAL 185 CO 0.08 0.31 0.40 -1.58 -3.33 0.00 0.00 175.10 170.98 1pma s GLN 186 N 1.09 4.24 0.32 1.54 0.74 -1.26 -0.67 119.66 125.66 1pma s GLN 186 Ca -0.07 0.25 -0.29 0.00 0.05 0.00 0.00 55.36 55.30 1pma s GLN 186 Cb -0.14 -3.49 -0.10 0.00 1.10 0.00 0.00 33.01 30.38 1pma s GLN 186 CO -0.01 0.07 1.35 -0.51 -0.55 0.00 0.00 175.29 175.64 1pma s LEU 187 N 0.96 4.41 0.21 3.68 1.02 -0.75 -4.97 118.68 123.24 1pma s LEU 187 Ca 0.20 2.72 -0.32 0.00 0.02 0.00 0.00 54.13 56.75 1pma s LEU 187 Cb -0.14 -3.65 -0.12 0.00 0.02 0.00 0.00 46.19 42.29 1pma s LEU 187 CO 0.08 -0.60 1.67 -2.65 0.02 0.00 0.00 176.35 174.87 1pma n PRO 188 N 1.04 2.61 -0.32 1.29 -0.02 -1.26 -4.77 135.00 133.56 1pma n PRO 188 Ca 0.01 0.94 0.08 0.00 -2.02 0.00 0.00 63.50 62.52 1pma n PRO 188 Cb 0.41 -2.76 0.19 0.00 -0.02 0.00 0.00 33.50 31.33 1pma n PRO 188 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pma h THR 189 N 3.69 0.09 0.28 3.45 1.03 -1.98 -0.21 112.91 119.26 1pma h THR 189 Ca -0.44 -0.01 -0.01 0.00 -0.01 0.00 0.00 66.41 65.95 1pma h THR 189 Cb 1.22 0.07 -0.01 0.00 -1.07 0.00 0.00 68.15 68.36 1pma h THR 189 CO 0.92 0.00 -0.19 -2.24 -0.01 0.00 0.00 175.52 174.00 1pma h ASP 190 N 0.02 -0.48 -0.85 0.00 3.04 -1.99 -0.65 116.42 115.51 1pma h ASP 190 Ca 0.50 0.03 0.14 0.00 -3.24 0.00 0.00 57.03 54.47 1pma h ASP 190 Cb 0.89 0.15 -0.06 0.00 -1.04 0.00 0.00 39.33 39.26 1pma h ASP 190 CO -0.90 -0.30 0.55 -0.61 -2.04 0.00 0.00 179.24 175.94 1pma h GLN 191 N -0.46 0.59 0.53 4.15 4.15 -1.45 0.21 115.11 122.83 1pma h GLN 191 Ca -0.02 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 1pma h GLN 191 Cb 0.39 -0.13 0.01 0.00 0.21 0.00 0.00 27.48 27.96 1pma h GLN 191 CO 0.01 0.39 -0.25 0.82 -1.93 0.00 0.00 178.83 177.87 1pma h ILE 192 N 0.61 0.21 -0.12 2.39 2.04 -0.78 -2.48 117.51 119.39 1pma h ILE 192 Ca 0.42 -0.47 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1pma h ILE 192 Cb 0.76 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1pma h ILE 192 CO -0.18 0.04 0.11 1.05 0.00 0.00 0.00 178.15 179.17 1pma h GLU 193 N -1.09 0.00 0.34 2.37 4.11 -0.14 -0.70 114.58 119.47 1pma h GLU 193 Ca -0.07 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.34 1pma h GLU 193 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1pma h GLU 193 CO 0.12 0.00 -0.16 1.03 0.07 0.00 0.00 179.01 180.06 1pma h SER 194 N 0.00 -0.39 -0.93 3.06 0.87 -0.58 -1.68 113.55 113.90 1pma h SER 194 Ca 0.06 -0.12 0.17 0.00 -1.23 0.00 0.00 61.79 60.67 1pma h SER 194 Cb 0.27 0.10 -0.10 0.00 -0.44 0.00 0.00 62.40 62.23 1pma h SER 194 CO -0.00 -0.10 0.52 0.03 -0.53 0.00 0.00 176.83 176.75 1pma h ARG 195 N -0.69 0.67 -0.01 2.24 3.08 -0.67 0.15 114.38 119.15 1pma h ARG 195 Ca -0.05 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.00 1pma h ARG 195 Cb 0.48 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.33 1pma h ARG 195 CO 0.08 0.45 -0.35 0.82 -1.07 0.00 0.00 179.97 179.90 1pma h ILE 196 N 0.69 0.26 0.01 2.04 2.04 -0.96 0.18 117.51 121.77 1pma h ILE 196 Ca 0.52 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.41 1pma h ILE 196 Cb 0.77 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 1pma h ILE 196 CO -0.38 0.00 -0.28 -0.09 0.00 0.00 0.00 178.15 177.40 1pma h ARG 197 N -0.49 -0.41 -0.94 2.37 2.43 -0.08 -1.17 114.38 116.08 1pma h ARG 197 Ca 0.06 0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.40 1pma h ARG 197 Cb 0.58 0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 30.14 1pma h ARG 197 CO -0.29 -0.28 0.56 -0.22 -1.51 0.00 0.00 179.97 178.23 1pma h LYS 198 N -0.43 0.79 0.00 0.20 3.64 -0.25 0.83 116.57 121.35 1pma h LYS 198 Ca 0.06 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1pma h LYS 198 Cb 0.51 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1pma h LYS 198 CO -0.24 0.52 0.00 1.28 -2.27 0.00 0.00 179.45 178.74 1pma n LEU 199 N -4.74 0.41 -0.17 5.20 4.77 0.59 -4.89 117.00 118.18 1pma n LEU 199 Ca 0.19 0.57 -0.02 0.00 -0.03 0.00 0.00 56.01 56.72 1pma n LEU 199 Cb 0.42 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1pma n LEU 199 CO 0.24 -0.27 -0.02 0.61 -1.33 0.00 0.00 177.39 176.62 1pma n GLY 200 N 0.67 0.54 0.42 -0.72 0.00 0.28 -5.03 105.19 101.35 1pma n GLY 200 Ca 0.04 -0.98 -0.03 0.00 0.00 0.00 0.00 46.02 45.06 1pma n GLY 200 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pma n LEU 201 N -0.25 0.00 -3.93 0.99 4.32 -0.53 -5.02 117.00 112.58 1pma n LEU 201 Ca -0.02 -0.19 -0.09 0.00 -0.02 0.00 0.00 56.01 55.68 1pma n LEU 201 Cb 0.09 -0.09 -0.09 0.00 -1.62 0.00 0.00 43.42 41.71 1pma n LEU 201 CO 0.03 -0.58 -0.20 -0.51 -1.22 0.00 0.00 177.39 174.91 1pma s ILE 202 N -0.76 0.14 0.00 -0.08 2.07 -1.26 -4.64 121.20 116.67 1pma s ILE 202 Ca 0.08 -1.13 0.00 0.00 -1.41 0.00 0.00 60.65 58.19 1pma s ILE 202 Cb -0.00 -0.97 0.00 0.00 0.13 0.00 0.00 42.46 41.62 1pma s ILE 202 CO 0.05 -0.62 0.00 -0.11 -1.91 0.00 0.00 174.94 172.35