#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 0.08 0.05 1.09 -1.32 -1.26 0.11 115.64 114.38 1pma s THR 2 Ca 0.00 -0.21 -0.02 0.00 -1.21 0.00 0.00 61.69 60.25 1pma s THR 2 Cb 0.00 -0.10 -0.03 0.00 -1.51 0.00 0.00 72.50 70.85 1pma s THR 2 CO 0.00 -0.09 0.00 0.42 -2.21 0.00 0.00 174.62 172.74 1pma s THR 3 N -0.31 0.19 -0.19 5.08 -4.23 0.77 -2.88 115.64 114.07 1pma s THR 3 Ca -0.03 -1.53 -0.17 0.00 -1.18 0.00 0.00 61.69 58.77 1pma s THR 3 Cb -0.02 -1.23 0.05 0.00 1.34 0.00 0.00 72.50 72.64 1pma s THR 3 CO -0.00 -0.85 0.52 0.54 -0.54 0.00 0.00 174.62 174.29 1pma s VAL 4 N -3.36 -0.00 -0.06 2.29 0.11 -0.12 -0.56 120.40 118.70 1pma s VAL 4 Ca 0.02 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.11 1pma s VAL 4 Cb 0.04 -0.72 -0.00 0.00 -1.53 0.00 0.00 36.38 34.16 1pma s VAL 4 CO -0.08 0.00 -0.19 -0.83 -3.33 0.00 0.00 175.10 170.67 1pma s GLY 5 N 0.36 1.07 -0.01 6.54 0.00 -0.67 -1.27 107.32 113.33 1pma s GLY 5 Ca -0.01 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 43.95 1pma s GLY 5 CO -0.00 -0.34 -0.05 -1.50 0.00 0.00 0.00 173.10 171.20 1pma s ILE 6 N 0.16 0.45 -0.04 0.90 2.07 -0.45 -1.34 121.20 122.94 1pma s ILE 6 Ca -0.09 -0.22 -0.03 0.00 -1.41 0.00 0.00 60.65 58.90 1pma s ILE 6 Cb -0.14 -0.39 -0.04 0.00 0.13 0.00 0.00 42.46 42.02 1pma s ILE 6 CO 0.04 0.14 0.11 -0.89 -1.91 0.00 0.00 174.94 172.43 1pma s THR 7 N -0.01 5.05 -0.29 4.00 2.01 -0.29 -1.01 115.64 125.10 1pma s THR 7 Ca 0.01 -0.18 -0.16 0.00 0.31 0.00 0.00 61.69 61.66 1pma s THR 7 Cb -0.04 -3.28 0.12 0.00 0.01 0.00 0.00 72.50 69.31 1pma s THR 7 CO -0.00 0.43 0.86 -1.48 -0.69 0.00 0.00 174.62 173.75 1pma s LEU 8 N -1.53 -0.68 0.00 4.42 0.05 -1.02 -4.89 118.68 115.03 1pma s LEU 8 Ca 0.21 1.09 0.00 0.00 0.05 0.00 0.00 54.13 55.48 1pma s LEU 8 Cb -0.12 2.00 0.00 0.00 -2.05 0.00 0.00 46.19 46.02 1pma s LEU 8 CO 0.12 -0.17 0.00 1.17 -0.55 0.00 0.00 176.35 176.91 1pma n LYS 9 N 3.88 0.00 -2.37 1.48 3.00 -1.26 -0.76 118.16 122.12 1pma n LYS 9 Ca -0.19 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 57.94 1pma n LYS 9 Cb 0.58 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.63 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 0.61 3.77 -3.69 3.14 8.00 -1.26 -4.77 116.55 122.35 1pma n ASP 10 Ca 0.00 -3.25 -0.05 0.00 0.71 0.00 0.00 54.79 52.20 1pma n ASP 10 Cb 0.00 -0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 40.67 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 -3.58 -1.68 -0.02 2.24 0.00 0.06 -4.56 121.76 114.21 1pma s ALA 11 Ca 0.43 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1pma s ALA 11 Cb 0.39 0.60 0.03 0.00 0.00 0.00 0.00 23.12 24.15 1pma s ALA 11 CO -0.03 -0.96 0.03 0.54 0.00 0.00 0.00 175.76 175.34 1pma s VAL 12 N -3.28 -0.04 0.08 0.00 0.11 -0.95 -2.42 120.40 113.91 1pma s VAL 12 Ca 0.10 0.21 0.06 0.00 -2.93 0.00 0.00 61.98 59.42 1pma s VAL 12 Cb -0.01 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.70 1pma s VAL 12 CO -0.00 0.09 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.13 1pma s ILE 13 N 1.06 3.38 -0.08 7.04 1.01 -0.18 -1.26 121.20 132.17 1pma s ILE 13 Ca -0.09 -1.18 -0.04 0.00 0.00 0.00 0.00 60.65 59.34 1pma s ILE 13 Cb -0.13 -2.56 0.04 0.00 0.01 0.00 0.00 42.46 39.83 1pma s ILE 13 CO -0.03 0.17 0.19 -0.04 0.00 0.00 0.00 174.94 175.23 1pma s MET 14 N -2.04 0.15 0.10 2.79 -1.94 -0.03 -1.34 119.30 116.98 1pma s MET 14 Ca 0.20 0.45 -0.05 0.00 -1.71 0.00 0.00 55.69 54.58 1pma s MET 14 Cb -0.11 -0.15 -0.02 0.00 2.01 0.00 0.00 34.83 36.56 1pma s MET 14 CO 0.12 -0.17 0.13 0.00 -0.01 0.00 0.00 175.02 175.09 1pma s ALA 15 N 1.23 0.18 0.18 3.03 0.00 -0.40 -1.28 121.76 124.70 1pma s ALA 15 Ca -0.09 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 50.77 1pma s ALA 15 Cb -0.11 0.55 0.01 0.00 0.00 0.00 0.00 23.12 23.57 1pma s ALA 15 CO -0.07 -0.49 0.41 0.95 0.00 0.00 0.00 175.76 176.56 1pma s THR 16 N -3.92 0.05 0.00 0.00 -4.23 -0.96 -0.94 115.64 105.63 1pma s THR 16 Ca 0.11 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1pma s THR 16 Cb 0.06 -1.65 0.00 0.00 1.34 0.00 0.00 72.50 72.25 1pma s THR 16 CO -0.07 -0.22 0.00 -1.84 -0.54 0.00 0.00 174.62 171.95 1pma n GLU 17 N -0.27 3.40 -2.69 3.99 -0.00 -1.14 -1.15 120.64 122.78 1pma n GLU 17 Ca -0.09 0.00 -0.07 0.00 -0.00 0.00 0.00 57.16 57.00 1pma n GLU 17 Cb 0.63 0.00 0.10 0.00 -0.00 0.00 0.00 31.44 32.17 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 0.00 1.07 -4.06 3.44 1.85 -0.15 -4.70 116.66 114.10 1pma n ARG 18 Ca 0.00 -1.67 -0.35 0.00 -1.00 0.00 0.00 57.85 54.83 1pma n ARG 18 Cb 0.00 -0.03 -0.09 0.00 -1.05 0.00 0.00 32.46 31.29 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 0.18 3.79 -0.18 2.89 3.52 -1.13 -1.35 118.95 126.67 1pma s ARG 19 Ca 0.19 -0.34 -0.00 0.00 -0.13 0.00 0.00 55.73 55.45 1pma s ARG 19 Cb 0.36 -3.14 0.01 0.00 -1.56 0.00 0.00 34.95 30.62 1pma s ARG 19 CO -0.08 0.37 -0.16 0.14 -0.81 0.00 0.00 175.30 174.77 1pma s VAL 20 N 0.08 2.45 0.18 7.11 -7.23 0.16 -4.64 120.40 118.50 1pma s VAL 20 Ca 0.05 -0.81 0.06 0.00 -1.81 0.00 0.00 61.98 59.47 1pma s VAL 20 Cb -0.12 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 1pma s VAL 20 CO 0.01 0.51 -0.13 0.28 -0.31 0.00 0.00 175.10 175.46 1pma s THR 21 N 1.25 1.51 -0.63 5.32 -1.32 -1.26 -0.32 115.64 120.18 1pma s THR 21 Ca 0.03 -2.10 0.03 0.00 -1.21 0.00 0.00 61.69 58.44 1pma s THR 21 Cb -0.14 -1.92 0.16 0.00 -1.51 0.00 0.00 72.50 69.09 1pma s THR 21 CO -0.08 -0.62 0.41 -0.32 -2.21 0.00 0.00 174.62 171.80 1pma s MET 22 N -3.55 2.35 4.46 7.08 -2.45 -0.27 -4.90 119.30 122.01 1pma s MET 22 Ca 0.19 -2.93 0.00 0.00 -1.25 0.00 0.00 55.69 51.70 1pma s MET 22 Cb -0.00 -3.47 0.00 0.00 1.25 0.00 0.00 34.83 32.61 1pma s MET 22 CO 0.04 -1.19 0.00 0.39 1.05 0.00 0.00 175.02 175.31 1pma n GLU 23 N 2.69 0.00 -0.03 4.11 1.02 -1.26 -2.21 120.64 124.96 1pma n GLU 23 Ca 0.12 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.30 1pma n GLU 23 Cb 0.34 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.64 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 7.98 1.23 -4.55 1.62 6.94 -1.26 -4.85 115.26 122.37 1pma n ASN 24 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 54.19 1pma n ASN 24 Cb 0.00 1.51 -0.03 0.00 -2.36 0.00 0.00 39.78 38.90 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 -2.93 1.93 -0.62 -2.53 5.36 -0.94 -4.92 117.98 113.34 1pma s PHE 25 Ca -0.06 0.38 -0.27 0.00 -0.96 0.00 0.00 56.93 56.02 1pma s PHE 25 Cb 0.09 -4.29 0.01 0.00 -0.34 0.00 0.00 43.02 38.49 1pma s PHE 25 CO 0.67 -2.12 1.54 -1.50 -1.46 0.00 0.00 175.22 172.35 1pma s ILE 26 N 7.95 3.61 -0.04 3.12 -1.16 -1.26 -1.12 121.20 132.30 1pma s ILE 26 Ca 0.57 0.43 0.08 0.00 -0.51 0.00 0.00 60.65 61.22 1pma s ILE 26 Cb -0.09 -4.37 -0.24 0.00 0.61 0.00 0.00 42.46 38.37 1pma s ILE 26 CO 0.13 -1.24 0.69 -0.03 -2.81 0.00 0.00 174.94 171.67 1pma h MET 27 N 12.18 0.06 -4.04 3.50 1.85 -1.84 -3.46 114.93 123.17 1pma h MET 27 Ca -0.27 -0.10 -0.50 0.00 -0.61 0.00 0.00 59.70 58.21 1pma h MET 27 Cb 1.11 0.04 -0.37 0.00 0.43 0.00 0.00 31.60 32.80 1pma h MET 27 CO 1.21 0.69 -0.79 -1.01 -0.40 0.00 0.00 176.91 176.61 1pma s HIS 28 N -2.60 1.26 0.07 1.39 3.76 0.56 -5.01 115.29 114.71 1pma s HIS 28 Ca -0.07 -0.62 0.10 0.00 -0.15 0.00 0.00 55.06 54.31 1pma s HIS 28 Cb 0.08 -1.11 -0.06 0.00 1.11 0.00 0.00 32.58 32.60 1pma s HIS 28 CO 0.82 -0.48 1.37 0.87 -0.85 0.00 0.00 174.74 176.47 1pma h LYS 29 N 8.22 0.00 -2.79 1.40 1.57 -1.82 0.47 116.57 123.61 1pma h LYS 29 Ca -0.26 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.91 1pma h LYS 29 Cb 1.13 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.03 1pma h LYS 29 CO 0.36 0.82 -0.68 0.09 -0.57 0.00 0.00 179.45 179.47 1pma n ASN 30 N -3.36 2.24 -4.83 0.86 4.13 -1.23 -4.12 115.26 108.95 1pma n ASN 30 Ca 0.00 -3.04 -0.22 0.00 1.68 0.00 0.00 54.58 53.01 1pma n ASN 30 Cb 0.84 -0.70 0.08 0.00 -1.54 0.00 0.00 39.78 38.47 1pma n ASN 30 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1pma s GLY 31 N -1.24 1.76 -0.05 7.41 0.00 -0.46 -5.05 107.32 109.70 1pma s GLY 31 Ca 0.29 -1.85 0.05 0.00 0.00 0.00 0.00 44.72 43.21 1pma s GLY 31 CO -0.16 -1.35 -0.21 1.25 0.00 0.00 0.00 173.10 172.63 1pma s LYS 32 N -4.92 2.19 0.00 2.90 2.20 -1.26 -4.79 119.74 116.06 1pma s LYS 32 Ca 0.64 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 1pma s LYS 32 Cb -0.06 -1.88 0.00 0.00 -1.51 0.00 0.00 37.83 34.38 1pma s LYS 32 CO 0.42 0.32 0.03 1.63 -0.36 0.00 0.00 175.35 177.39 1pma n LYS 33 N 3.02 3.30 -3.89 4.03 5.02 -1.26 -4.97 118.16 123.42 1pma n LYS 33 Ca -0.18 -0.03 -0.36 0.00 -2.02 0.00 0.00 58.31 55.73 1pma n LYS 33 Cb 0.52 -0.32 -0.13 0.00 -0.02 0.00 0.00 35.03 35.09 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 -0.96 3.33 -0.04 -0.35 2.96 -1.26 -1.26 118.68 121.10 1pma s LEU 34 Ca 0.00 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 1pma s LEU 34 Cb 0.00 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.83 1pma s LEU 34 CO 0.00 0.01 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.58 1pma s PHE 35 N 1.34 1.12 0.19 5.38 0.08 -0.17 -5.01 117.98 120.91 1pma s PHE 35 Ca 0.05 -0.32 -0.29 0.00 0.12 0.00 0.00 56.93 56.49 1pma s PHE 35 Cb -0.15 -0.81 -0.08 0.00 -0.57 0.00 0.00 43.02 41.41 1pma s PHE 35 CO 0.02 -0.15 0.91 -1.14 -0.10 0.00 0.00 175.22 174.76 1pma s GLN 36 N 0.33 4.76 0.00 0.44 0.74 -1.26 -0.46 119.66 124.21 1pma s GLN 36 Ca -0.06 1.41 0.00 0.00 0.05 0.00 0.00 55.36 56.75 1pma s GLN 36 Cb -0.11 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 30.70 1pma s GLN 36 CO 0.01 0.44 0.12 1.51 -0.55 0.00 0.00 175.29 176.82 1pma n ILE 37 N 1.89 0.00 -3.61 -2.34 3.06 -0.15 -4.90 119.36 113.31 1pma n ILE 37 Ca -0.02 -0.45 -0.05 0.00 -2.50 0.00 0.00 62.75 59.73 1pma n ILE 37 Cb 0.48 1.02 -0.04 0.00 0.54 0.00 0.00 39.64 41.65 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 -0.67 -0.18 0.24 9.51 2.15 -0.98 -4.69 116.67 122.04 1pma s ASP 38 Ca 0.00 0.14 0.07 0.00 0.43 0.00 0.00 52.55 53.19 1pma s ASP 38 Cb 0.00 0.15 0.71 0.00 -0.30 0.00 0.00 42.92 43.49 1pma s ASP 38 CO 0.00 -0.20 1.13 0.35 -0.17 0.00 0.00 175.17 176.28 1pma n THR 39 N 0.40 -0.30 -1.83 1.71 -2.24 -1.26 -0.67 114.28 110.08 1pma n THR 39 Ca -0.03 1.54 -0.10 0.00 -2.27 0.00 0.00 64.05 63.19 1pma n THR 39 Cb 0.58 -2.34 0.11 0.00 -2.10 0.00 0.00 70.33 66.58 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 -4.85 1.43 -3.58 4.78 4.01 -1.26 -2.55 117.16 115.14 1pma n TYR 40 Ca 0.21 -1.87 -0.16 0.00 -0.16 0.00 0.00 57.90 55.92 1pma n TYR 40 Cb 0.70 -0.30 -0.07 0.00 -0.31 0.00 0.00 39.34 39.37 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 -3.92 0.00 0.13 -0.72 -1.32 0.15 -1.93 115.64 108.03 1pma s THR 41 Ca 0.45 -0.03 0.02 0.00 -1.21 0.00 0.00 61.69 60.91 1pma s THR 41 Cb 0.39 -0.95 -0.04 0.00 -1.51 0.00 0.00 72.50 70.38 1pma s THR 41 CO -0.01 -0.02 -0.04 -0.83 -2.21 0.00 0.00 174.62 171.51 1pma s GLY 42 N -0.65 0.96 0.01 6.08 0.00 0.86 -0.98 107.32 113.60 1pma s GLY 42 Ca -0.07 -1.45 0.01 0.00 0.00 0.00 0.00 44.72 43.21 1pma s GLY 42 CO 0.06 -1.48 -0.05 -0.29 0.00 0.00 0.00 173.10 171.34 1pma s MET 43 N -3.87 0.35 -0.13 2.90 1.75 0.40 -0.90 119.30 119.80 1pma s MET 43 Ca 0.17 -0.38 0.00 0.00 -1.25 0.00 0.00 55.69 54.23 1pma s MET 43 Cb 0.06 -0.21 -0.01 0.00 2.84 0.00 0.00 34.83 37.50 1pma s MET 43 CO -0.01 0.05 -0.14 0.95 -0.65 0.00 0.00 175.02 175.21 1pma s THR 44 N -0.68 2.89 0.17 10.11 -4.23 0.39 -1.00 115.64 123.30 1pma s THR 44 Ca -0.05 -0.72 -0.06 0.00 -1.18 0.00 0.00 61.69 59.69 1pma s THR 44 Cb -0.05 -2.20 -0.06 0.00 1.34 0.00 0.00 72.50 71.52 1pma s THR 44 CO -0.00 0.53 0.43 -0.63 -0.54 0.00 0.00 174.62 174.41 1pma s ILE 45 N 0.42 5.09 -0.29 2.99 1.01 -0.39 -2.45 121.20 127.58 1pma s ILE 45 Ca -0.11 0.16 -0.13 0.00 0.00 0.00 0.00 60.65 60.56 1pma s ILE 45 Cb -0.16 -3.63 0.13 0.00 0.01 0.00 0.00 42.46 38.81 1pma s ILE 45 CO 0.05 -0.01 0.79 0.00 0.00 0.00 0.00 174.94 175.77 1pma s ALA 46 N -1.72 -2.21 0.00 9.38 0.00 -1.05 -4.91 121.76 121.25 1pma s ALA 46 Ca 0.43 2.27 0.00 0.00 0.00 0.00 0.00 51.96 54.66 1pma s ALA 46 Cb -0.12 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1pma s ALA 46 CO 0.24 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.68 1pma n GLY 47 N 4.82 0.31 3.62 0.00 0.00 -1.26 -0.53 105.19 112.14 1pma n GLY 47 Ca -0.14 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 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 3.82 0.14 0.99 2.96 -1.12 -4.96 118.68 120.52 1pma s LEU 48 Ca 0.00 1.03 -0.31 0.00 -0.22 0.00 0.00 54.13 54.63 1pma s LEU 48 Cb 0.00 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.06 1pma s LEU 48 CO 0.00 -1.10 1.53 -0.37 -1.32 0.00 0.00 176.35 175.09 1pma h VAL 49 N 6.01 0.00 -0.77 1.68 -1.51 -1.95 -1.04 116.25 118.66 1pma h VAL 49 Ca -0.25 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.33 1pma h VAL 49 Cb 1.09 0.00 -0.12 0.00 -2.13 0.00 0.00 31.29 30.12 1pma h VAL 49 CO 1.05 0.00 -0.46 1.23 -1.23 0.00 0.00 177.57 178.16 1pma h GLY 50 N -0.22 -0.41 0.82 5.19 0.00 -1.98 0.23 103.07 106.70 1pma h GLY 50 Ca 0.11 0.61 0.00 0.00 0.00 0.00 0.00 47.33 48.05 1pma h GLY 50 CO -0.73 -0.13 -0.15 -0.55 0.00 0.00 0.00 176.54 174.99 1pma h ASP 51 N -0.12 -0.39 -0.29 0.19 3.32 -1.81 -2.67 116.42 114.64 1pma h ASP 51 Ca 0.22 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.37 1pma h ASP 51 Cb 0.54 0.14 -0.08 0.00 0.22 0.00 0.00 39.33 40.15 1pma h ASP 51 CO -0.82 -0.23 -0.36 0.00 -1.72 0.00 0.00 179.24 176.12 1pma h ALA 52 N 0.50 -0.35 0.37 3.45 0.00 0.07 -1.01 119.26 122.29 1pma h ALA 52 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1pma h ALA 52 Cb 0.31 0.73 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1pma h ALA 52 CO -0.04 -0.81 -0.44 1.96 0.00 0.00 0.00 179.25 179.93 1pma h GLN 53 N -0.34 -0.81 -0.96 0.00 4.20 -0.46 0.13 115.11 116.87 1pma h GLN 53 Ca 0.13 0.06 0.10 0.00 0.06 0.00 0.00 58.65 59.00 1pma h GLN 53 Cb 0.57 0.18 -0.08 0.00 0.30 0.00 0.00 27.48 28.45 1pma h GLN 53 CO -0.48 -0.54 0.60 -0.24 -0.67 0.00 0.00 178.83 177.50 1pma h VAL 54 N -0.84 0.96 -0.64 -0.54 3.04 -1.35 0.12 116.25 117.00 1pma h VAL 54 Ca -0.03 -0.34 0.01 0.00 -1.01 0.00 0.00 66.70 65.33 1pma h VAL 54 Cb 0.77 -0.12 -0.03 0.00 -2.01 0.00 0.00 31.29 29.89 1pma h VAL 54 CO -0.11 0.18 0.42 0.25 -1.01 0.00 0.00 177.57 177.30 1pma h LEU 55 N 0.99 0.71 0.05 3.16 5.85 -0.68 -0.90 115.31 124.49 1pma h LEU 55 Ca 0.46 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.17 1pma h LEU 55 Cb 0.38 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1pma h LEU 55 CO -0.24 0.51 -0.05 1.62 -0.34 0.00 0.00 178.44 179.94 1pma h VAL 56 N 0.84 0.89 -0.33 1.05 3.04 0.13 -1.26 116.25 120.61 1pma h VAL 56 Ca 0.24 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.98 1pma h VAL 56 Cb -0.06 0.89 -0.05 0.00 -2.01 0.00 0.00 31.29 30.06 1pma h VAL 56 CO -0.07 0.00 0.05 0.03 -1.01 0.00 0.00 177.57 176.57 1pma h ARG 57 N -0.11 0.16 -0.12 4.17 3.08 -0.97 0.91 114.38 121.50 1pma h ARG 57 Ca 0.00 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.09 1pma h ARG 57 Cb 0.10 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 1pma h ARG 57 CO -0.01 0.10 -0.28 1.88 -1.07 0.00 0.00 179.97 180.59 1pma h TYR 58 N 0.16 -0.76 -0.79 3.04 -1.99 -0.85 -1.35 116.97 114.43 1pma h TYR 58 Ca 0.16 0.03 0.09 0.00 2.00 0.00 0.00 58.73 61.01 1pma h TYR 58 Cb 0.19 0.35 -0.07 0.00 2.00 0.00 0.00 36.73 39.20 1pma h TYR 58 CO -0.20 -0.36 0.44 1.98 -0.00 0.00 0.00 178.16 180.02 1pma h MET 59 N -0.36 0.73 0.62 4.88 4.05 -0.32 -0.21 114.93 124.31 1pma h MET 59 Ca 0.10 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.45 1pma h MET 59 Cb 0.50 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.14 1pma h MET 59 CO -0.32 0.48 -0.36 -0.22 0.23 0.00 0.00 176.91 176.72 1pma h LYS 60 N 0.75 -0.88 -0.29 0.39 3.64 0.19 -1.74 116.57 118.63 1pma h LYS 60 Ca 0.38 0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.84 1pma h LYS 60 Cb 0.34 0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1pma h LYS 60 CO -0.24 -0.58 0.12 0.00 -2.27 0.00 0.00 179.45 176.48 1pma h ALA 61 N -1.41 0.34 -0.82 5.00 0.00 -1.21 -1.07 119.26 120.09 1pma h ALA 61 Ca -0.08 0.02 0.13 0.00 0.00 0.00 0.00 54.91 54.98 1pma h ALA 61 Cb 0.72 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 1pma h ALA 61 CO 0.10 -0.28 0.42 1.49 0.00 0.00 0.00 179.25 180.98 1pma h GLU 62 N 0.26 0.61 -0.33 0.00 4.57 -1.02 -0.46 114.58 118.22 1pma h GLU 62 Ca 0.13 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.18 1pma h GLU 62 Cb 0.07 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1pma h GLU 62 CO -0.11 0.41 -0.14 -0.07 -1.18 0.00 0.00 179.01 177.92 1pma h LEU 63 N 0.63 0.70 0.24 1.64 4.07 -0.77 -2.08 115.31 119.74 1pma h LEU 63 Ca 0.44 -0.40 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 1pma h LEU 63 Cb 0.58 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1pma h LEU 63 CO -0.34 0.94 -0.11 -0.08 -1.08 0.00 0.00 178.44 177.77 1pma h GLU 64 N 0.46 -0.31 -0.35 1.13 4.81 -0.41 -1.66 114.58 118.26 1pma h GLU 64 Ca 0.08 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.40 1pma h GLU 64 Cb 0.66 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.05 1pma h GLU 64 CO 0.04 -0.20 -0.09 1.25 -0.73 0.00 0.00 179.01 179.28 1pma h LEU 65 N -0.33 -0.34 -0.85 1.64 5.85 -1.09 -1.89 115.31 118.30 1pma h LEU 65 Ca -0.03 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1pma h LEU 65 Cb 0.25 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 1pma h LEU 65 CO 0.05 -0.12 0.54 0.22 -0.34 0.00 0.00 178.44 178.79 1pma h TYR 66 N -0.01 1.01 0.06 1.25 5.03 -1.24 -1.03 116.97 122.04 1pma h TYR 66 Ca 0.17 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.52 1pma h TYR 66 Cb 0.27 -0.33 -0.02 0.00 1.55 0.00 0.00 36.73 38.19 1pma h TYR 66 CO -0.33 0.57 -0.11 -0.09 -1.32 0.00 0.00 178.16 176.88 1pma h ARG 67 N 1.04 -0.21 -0.08 1.82 2.43 -0.54 0.44 114.38 119.29 1pma h ARG 67 Ca 0.35 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.55 1pma h ARG 67 Cb 0.04 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1pma h ARG 67 CO -0.13 -0.14 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.08 1pma h LEU 68 N -0.22 -0.14 -1.00 3.80 4.07 -0.92 0.61 115.31 121.52 1pma h LEU 68 Ca 0.02 0.03 -0.07 0.00 0.08 0.00 0.00 57.88 57.94 1pma h LEU 68 Cb 0.23 0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.03 1pma h LEU 68 CO -0.07 -0.06 -0.06 1.56 -1.08 0.00 0.00 178.44 178.74 1pma h GLN 69 N -0.04 0.66 -0.01 1.13 4.20 -1.12 -3.13 115.11 116.79 1pma h GLN 69 Ca 0.05 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1pma h GLN 69 Cb 0.11 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1pma h GLN 69 CO -0.10 0.72 -0.55 0.54 -0.67 0.00 0.00 178.83 178.76 1pma n ARG 70 N -4.21 1.06 -0.85 1.46 1.74 0.14 -4.97 116.66 111.02 1pma n ARG 70 Ca 0.02 -0.86 0.00 0.00 -0.77 0.00 0.00 57.85 56.23 1pma n ARG 70 Cb 0.31 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 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 -0.23 -0.95 -4.20 5.56 3.00 0.21 -4.93 116.66 115.12 1pma n ARG 71 Ca 0.08 0.24 -0.12 0.00 -0.00 0.00 0.00 57.85 58.05 1pma n ARG 71 Cb 0.45 -4.35 -0.10 0.00 0.00 0.00 0.00 32.46 28.46 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 -1.40 0.36 0.35 5.15 0.11 -1.20 -5.00 120.40 118.78 1pma s VAL 72 Ca 0.00 -1.95 -0.20 0.00 -2.93 0.00 0.00 61.98 56.90 1pma s VAL 72 Cb 0.00 -2.16 -0.10 0.00 -1.53 0.00 0.00 36.38 32.59 1pma s VAL 72 CO 0.00 -0.39 0.85 0.20 -3.33 0.00 0.00 175.10 172.43 1pma s ASN 73 N -3.13 6.96 0.03 3.54 -0.87 -1.26 -4.13 114.94 116.08 1pma s ASN 73 Ca 0.26 1.54 -0.30 0.00 -1.57 0.00 0.00 52.86 52.79 1pma s ASN 73 Cb 0.07 -2.48 -0.05 0.00 -0.02 0.00 0.00 41.25 38.77 1pma s ASN 73 CO 0.04 -0.22 1.27 -0.32 -2.57 0.00 0.00 177.10 175.31 1pma s MET 74 N -2.80 4.37 0.63 -0.60 -2.45 -1.26 -4.99 119.30 112.20 1pma s MET 74 Ca 0.55 1.83 -0.18 0.00 -1.25 0.00 0.00 55.69 56.65 1pma s MET 74 Cb -0.12 -3.42 -0.03 0.00 1.25 0.00 0.00 34.83 32.52 1pma s MET 74 CO 0.17 -0.38 1.10 -2.30 1.05 0.00 0.00 175.02 174.65 1pma n PRO 75 N 4.47 0.95 -0.17 4.11 -0.02 -1.26 -4.76 135.00 138.32 1pma n PRO 75 Ca 0.11 0.37 -0.07 0.00 -2.02 0.00 0.00 63.50 61.89 1pma n PRO 75 Cb 0.45 -2.32 0.02 0.00 -0.02 0.00 0.00 33.50 31.63 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 0.43 1.12 -0.59 4.25 1.08 -1.94 -0.26 117.51 121.61 1pma h ILE 76 Ca -0.50 -0.23 -0.02 0.00 -0.39 0.00 0.00 64.86 63.72 1pma h ILE 76 Cb 1.35 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 35.46 1pma h ILE 76 CO 0.51 0.12 0.28 -0.08 -0.69 0.00 0.00 178.15 178.30 1pma h GLU 77 N 0.68 0.82 -0.18 2.37 4.81 -1.99 -1.63 114.58 119.46 1pma h GLU 77 Ca 0.19 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1pma h GLU 77 Cb -0.07 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 1pma h GLU 77 CO -0.04 0.64 0.12 0.00 -0.73 0.00 0.00 179.01 178.99 1pma h ALA 78 N 1.49 0.23 -0.12 2.92 0.00 -1.45 0.12 119.26 122.45 1pma h ALA 78 Ca 0.20 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1pma h ALA 78 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1pma h ALA 78 CO -0.03 -0.28 -0.27 -0.24 0.00 0.00 0.00 179.25 178.44 1pma h VAL 79 N 0.24 1.24 0.65 0.00 3.04 -0.95 0.01 116.25 120.48 1pma h VAL 79 Ca 0.07 -1.13 -0.03 0.00 -1.01 0.00 0.00 66.70 64.60 1pma h VAL 79 Cb -0.02 1.45 0.01 0.00 -2.01 0.00 0.00 31.29 30.72 1pma h VAL 79 CO -0.01 0.34 -0.31 0.00 -1.01 0.00 0.00 177.57 176.57 1pma h ALA 80 N 1.54 -0.87 -0.51 3.17 0.00 -0.57 -2.19 119.26 119.83 1pma h ALA 80 Ca 0.03 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.84 1pma h ALA 80 Cb 0.58 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 18.61 1pma h ALA 80 CO 0.04 -0.96 -0.14 1.15 0.00 0.00 0.00 179.25 179.34 1pma h THR 81 N -0.94 0.47 -0.07 0.00 2.02 -0.27 0.18 112.91 114.29 1pma h THR 81 Ca -0.09 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.13 1pma h THR 81 Cb 0.69 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 1pma h THR 81 CO 0.15 0.00 -0.23 0.25 0.37 0.00 0.00 175.52 176.06 1pma h LEU 82 N -0.02 -0.70 -0.54 2.58 5.85 -0.94 -0.53 115.31 121.02 1pma h LEU 82 Ca 0.25 0.11 0.09 0.00 0.84 0.00 0.00 57.88 59.16 1pma h LEU 82 Cb 0.39 0.30 -0.07 0.00 0.37 0.00 0.00 40.66 41.65 1pma h LEU 82 CO -0.54 -0.29 0.16 0.25 -0.34 0.00 0.00 178.44 177.68 1pma h LEU 83 N -0.32 0.11 -0.23 2.25 5.85 -0.42 -0.89 115.31 121.65 1pma h LEU 83 Ca 0.08 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1pma h LEU 83 Cb 0.44 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 1pma h LEU 83 CO -0.26 0.08 -0.49 -1.28 -0.34 0.00 0.00 178.44 176.15 1pma h SER 84 N 0.31 -1.58 -0.22 1.25 0.87 0.29 -1.12 113.55 113.35 1pma h SER 84 Ca 0.27 0.21 0.05 0.00 -1.23 0.00 0.00 61.79 61.09 1pma h SER 84 Cb 0.34 0.64 -0.06 0.00 -0.44 0.00 0.00 62.40 62.89 1pma h SER 84 CO -0.31 -0.44 -0.13 0.78 -0.53 0.00 0.00 176.83 176.20 1pma h ASN 85 N -0.48 -0.44 0.13 6.23 4.21 -0.02 -1.18 115.58 124.03 1pma h ASN 85 Ca 0.07 0.10 0.02 0.00 1.21 0.00 0.00 56.30 57.70 1pma h ASN 85 Cb 0.64 0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 38.03 1pma h ASN 85 CO -0.48 -0.17 -0.41 0.24 -1.29 0.00 0.00 177.43 175.32 1pma h MET 86 N -0.12 -0.62 0.01 0.81 2.86 -0.67 -0.83 114.93 116.37 1pma h MET 86 Ca 0.13 0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.84 1pma h MET 86 Cb 0.31 0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 1pma h MET 86 CO -0.30 -0.42 -0.22 -0.07 1.06 0.00 0.00 176.91 176.97 1pma h LEU 87 N -0.65 -0.64 -0.94 1.22 4.07 -0.92 -2.77 115.31 114.69 1pma h LEU 87 Ca 0.02 0.09 -0.03 0.00 0.08 0.00 0.00 57.88 58.04 1pma h LEU 87 Cb 0.67 0.26 -0.04 0.00 1.08 0.00 0.00 40.66 42.64 1pma h LEU 87 CO -0.23 -0.29 0.35 -1.13 -1.08 0.00 0.00 178.44 176.07 1pma h ASN 88 N -0.35 1.02 -0.37 -0.43 -0.73 -1.19 -2.08 115.58 111.45 1pma h ASN 88 Ca 0.06 -0.13 0.11 0.00 1.87 0.00 0.00 56.30 58.21 1pma h ASN 88 Cb 0.43 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 1pma h ASN 88 CO -0.19 0.87 0.44 -0.61 -0.37 0.00 0.00 177.43 177.57 1pma h GLN 89 N 1.11 0.00 -0.08 6.67 4.15 -0.85 -1.24 115.11 124.88 1pma h GLN 89 Ca 0.26 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.62 1pma h GLN 89 Cb 0.14 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.77 1pma h GLN 89 CO -0.03 0.00 -0.55 1.55 -1.93 0.00 0.00 178.83 177.87 1pma n VAL 90 N -3.60 2.18 -0.14 2.39 3.14 -0.79 -4.84 118.33 116.66 1pma n VAL 90 Ca 0.06 -3.28 0.26 0.00 -2.96 0.00 0.00 64.34 58.42 1pma n VAL 90 Cb 0.60 -0.29 0.70 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 1.12 0.03 -0.03 1.45 2.10 -1.12 -0.79 116.57 119.34 1pma h LYS 91 Ca 0.03 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 1pma h LYS 91 Cb 1.08 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1pma h LYS 91 CO 0.08 0.02 0.00 0.66 -2.00 0.00 0.00 179.45 178.21 1pma n TYR 92 N -4.31 0.03 -2.73 0.07 4.01 -1.26 -3.67 117.16 109.30 1pma n TYR 92 Ca 0.17 -0.01 -0.08 0.00 -0.16 0.00 0.00 57.90 57.81 1pma n TYR 92 Cb 0.86 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.99 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 -0.42 1.09 -0.71 -0.72 2.81 -0.42 -5.15 117.12 113.59 1pma n MET 93 Ca 0.20 -1.93 -0.30 0.00 -1.81 0.00 0.00 57.70 53.87 1pma n MET 93 Cb 0.21 -0.68 0.20 0.00 -0.71 0.00 0.00 33.22 32.24 1pma n MET 93 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1pma s PRO 94 N 0.17 0.17 -0.55 0.03 0.04 -0.50 -4.97 135.00 129.39 1pma s PRO 94 Ca 0.22 1.12 -0.20 0.00 0.04 0.00 0.00 61.00 62.19 1pma s PRO 94 Cb 0.33 -1.66 0.08 0.00 0.04 0.00 0.00 34.50 33.29 1pma s PRO 94 CO -0.06 -3.07 0.70 0.71 0.04 0.00 0.00 177.00 175.31 1pma s TYR 95 N -2.61 2.99 -0.75 0.56 2.02 -1.26 -4.96 117.35 113.35 1pma s TYR 95 Ca 0.67 -0.67 -0.26 0.00 -0.37 0.00 0.00 57.07 56.44 1pma s TYR 95 Cb -0.23 -3.80 -0.04 0.00 -0.40 0.00 0.00 41.96 37.49 1pma s TYR 95 CO 0.61 -1.20 1.91 -1.64 -1.57 0.00 0.00 175.55 173.67 1pma s MET 96 N 2.83 2.57 0.23 -0.62 -1.94 -1.26 -4.68 119.30 116.43 1pma s MET 96 Ca 0.15 0.20 -0.17 0.00 -1.71 0.00 0.00 55.69 54.16 1pma s MET 96 Cb -0.21 -4.71 0.02 0.00 2.01 0.00 0.00 34.83 31.94 1pma s MET 96 CO 0.10 -3.06 0.57 0.54 -0.01 0.00 0.00 175.02 173.16 1pma s VAL 97 N 9.65 0.01 -0.06 -6.03 0.11 -1.26 -2.79 120.40 120.02 1pma s VAL 97 Ca 0.69 -1.00 -0.02 0.00 -2.93 0.00 0.00 61.98 58.72 1pma s VAL 97 Cb -0.10 -1.87 0.03 0.00 -1.53 0.00 0.00 36.38 32.92 1pma s VAL 97 CO 0.11 -0.05 0.05 -1.58 -3.33 0.00 0.00 175.10 170.30 1pma s GLN 98 N -3.92 0.08 0.08 1.54 0.74 0.30 -3.02 119.66 115.46 1pma s GLN 98 Ca 0.13 0.26 0.07 0.00 0.05 0.00 0.00 55.36 55.88 1pma s GLN 98 Cb -0.02 -0.78 -0.04 0.00 1.10 0.00 0.00 33.01 33.27 1pma s GLN 98 CO 0.03 -0.37 -0.15 -0.51 -0.55 0.00 0.00 175.29 173.74 1pma s LEU 99 N 2.12 2.81 -0.14 3.68 1.43 -0.69 -2.53 118.68 125.36 1pma s LEU 99 Ca 0.05 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1pma s LEU 99 Cb -0.13 -1.64 0.03 0.00 0.03 0.00 0.00 46.19 44.48 1pma s LEU 99 CO -0.04 0.21 -0.09 -0.22 0.23 0.00 0.00 176.35 176.43 1pma s LEU 100 N -1.91 1.51 -0.16 1.79 2.96 -1.02 -0.61 118.68 121.24 1pma s LEU 100 Ca 0.18 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 1pma s LEU 100 Cb -0.11 -0.99 0.02 0.00 0.50 0.00 0.00 46.19 45.61 1pma s LEU 100 CO 0.10 -0.12 -0.18 0.54 -1.32 0.00 0.00 176.35 175.37 1pma s VAL 101 N 1.60 1.82 0.15 1.68 0.11 -0.24 -0.47 120.40 125.06 1pma s VAL 101 Ca 0.04 -0.80 0.08 0.00 -2.93 0.00 0.00 61.98 58.37 1pma s VAL 101 Cb -0.13 -1.66 -0.04 0.00 -1.53 0.00 0.00 36.38 33.01 1pma s VAL 101 CO -0.09 0.50 -0.18 -0.83 -3.33 0.00 0.00 175.10 171.18 1pma s GLY 102 N 1.29 1.31 0.00 6.54 0.00 -0.08 -0.15 107.32 116.23 1pma s GLY 102 Ca 0.03 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.32 1pma s GLY 102 CO -0.10 -1.47 0.00 0.61 0.00 0.00 0.00 173.10 172.14 1pma n GLY 103 N 0.42 -1.19 2.80 0.20 0.00 -0.67 -0.10 105.19 106.64 1pma n GLY 103 Ca -0.14 -0.93 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.46 -0.24 0.00 -0.61 2.07 -0.81 -0.56 121.20 118.59 1pma s ILE 104 Ca 0.00 0.29 0.00 0.00 -1.41 0.00 0.00 60.65 59.53 1pma s ILE 104 Cb 0.00 -0.33 0.00 0.00 0.13 0.00 0.00 42.46 42.26 1pma s ILE 104 CO 0.00 0.09 0.00 -0.90 -1.91 0.00 0.00 174.94 172.22 1pma n ASP 105 N 5.32 0.00 0.17 4.50 5.68 -1.26 -4.84 116.55 126.12 1pma n ASP 105 Ca -0.05 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.37 1pma n ASP 105 Cb 0.50 0.00 0.33 0.00 -1.14 0.00 0.00 41.12 40.81 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 0.00 -2.99 2.12 1.03 -2.02 -3.47 112.91 107.58 1pma h THR 106 Ca 0.00 -0.70 0.02 0.00 -0.01 0.00 0.00 66.41 65.72 1pma h THR 106 Cb 0.00 1.68 -0.02 0.00 -1.07 0.00 0.00 68.15 68.74 1pma h THR 106 CO 0.00 0.00 0.26 0.00 -0.01 0.00 0.00 175.52 175.77 1pma s ALA 107 N -3.21 -0.96 0.61 0.00 0.00 -1.26 -5.17 121.76 111.77 1pma s ALA 107 Ca 0.08 -0.55 -0.13 0.00 0.00 0.00 0.00 51.96 51.36 1pma s ALA 107 Cb 0.09 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 1pma s ALA 107 CO 0.61 -1.01 1.03 -2.14 0.00 0.00 0.00 175.76 174.25 1pma s PRO 108 N -3.01 3.51 0.11 0.00 0.02 -1.26 -4.27 135.00 130.10 1pma s PRO 108 Ca 0.14 0.90 -0.21 0.00 0.02 0.00 0.00 61.00 61.84 1pma s PRO 108 Cb -0.05 -2.07 0.06 0.00 0.02 0.00 0.00 34.50 32.45 1pma s PRO 108 CO 0.09 -0.64 0.53 -1.01 -0.33 0.00 0.00 177.00 175.64 1pma s HIS 109 N -2.92 -0.43 -0.23 6.54 3.76 0.28 -4.93 115.29 117.36 1pma s HIS 109 Ca 0.58 0.29 -0.09 0.00 -0.15 0.00 0.00 55.06 55.69 1pma s HIS 109 Cb -0.12 0.41 0.09 0.00 1.11 0.00 0.00 32.58 34.07 1pma s HIS 109 CO 0.46 -0.74 0.50 0.54 -0.85 0.00 0.00 174.74 174.66 1pma s VAL 110 N -3.27 -0.50 -0.03 -0.90 0.11 -1.26 -1.68 120.40 112.86 1pma s VAL 110 Ca -0.01 0.09 0.06 0.00 -2.93 0.00 0.00 61.98 59.19 1pma s VAL 110 Cb -0.00 -0.77 -0.02 0.00 -1.53 0.00 0.00 36.38 34.05 1pma s VAL 110 CO -0.08 0.04 -0.21 -0.36 -3.33 0.00 0.00 175.10 171.16 1pma s PHE 111 N 2.28 2.50 -0.22 1.54 0.40 0.79 -2.71 117.98 122.57 1pma s PHE 111 Ca -0.05 -0.31 -0.10 0.00 -0.60 0.00 0.00 56.93 55.87 1pma s PHE 111 Cb -0.10 -1.56 -0.05 0.00 0.51 0.00 0.00 43.02 41.82 1pma s PHE 111 CO -0.15 0.06 0.13 0.45 0.70 0.00 0.00 175.22 176.41 1pma s SER 112 N -0.66 6.01 -0.07 1.36 0.15 0.10 -1.08 113.70 119.51 1pma s SER 112 Ca 0.10 0.13 0.03 0.00 0.70 0.00 0.00 55.95 56.92 1pma s SER 112 Cb -0.10 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 1pma s SER 112 CO -0.00 0.12 -0.18 -0.63 1.20 0.00 0.00 173.24 173.75 1pma s ILE 113 N 0.71 1.54 0.27 6.45 -1.09 0.22 -1.14 121.20 128.15 1pma s ILE 113 Ca 0.07 -0.73 0.08 0.00 -2.23 0.00 0.00 60.65 57.83 1pma s ILE 113 Cb -0.12 -1.35 -0.04 0.00 -1.58 0.00 0.00 42.46 39.37 1pma s ILE 113 CO 0.01 0.44 0.18 1.51 -1.23 0.00 0.00 174.94 175.86 1pma s ASP 114 N 0.40 5.32 0.16 3.58 1.47 0.06 -1.71 116.67 125.95 1pma s ASP 114 Ca -0.14 -0.36 0.07 0.00 1.18 0.00 0.00 52.55 53.30 1pma s ASP 114 Cb -0.16 -1.23 0.38 0.00 -0.34 0.00 0.00 42.92 41.57 1pma s ASP 114 CO 0.05 -0.09 1.07 0.00 0.68 0.00 0.00 175.17 176.88 1pma n ALA 115 N -1.17 0.65 -0.92 2.11 0.00 -1.17 0.66 120.51 120.67 1pma n ALA 115 Ca -0.06 0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1pma n ALA 115 Cb 0.58 -0.73 0.38 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.45 3.71 -1.32 0.00 0.00 -1.26 -4.47 120.51 115.71 1pma n ALA 116 Ca -0.00 -1.99 -0.11 0.00 0.00 0.00 0.00 53.44 51.34 1pma n ALA 116 Cb 0.24 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 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 0.43 1.21 3.72 0.00 0.00 0.21 -4.32 105.19 106.45 1pma n GLY 117 Ca 0.27 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.77 2.90 -0.05 -0.02 0.00 -1.19 -4.72 107.32 101.46 1pma s GLY 118 Ca 0.00 0.61 0.01 0.00 0.00 0.00 0.00 44.72 45.34 1pma s GLY 118 CO 0.00 1.61 -0.05 -0.45 0.00 0.00 0.00 173.10 174.21 1pma s SER 119 N 0.42 1.18 -0.02 1.64 0.15 -1.26 -0.76 113.70 115.05 1pma s SER 119 Ca 0.50 -0.15 -0.03 0.00 0.70 0.00 0.00 55.95 56.97 1pma s SER 119 Cb -0.24 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.57 1pma s SER 119 CO 0.30 -0.06 0.08 0.54 1.20 0.00 0.00 173.24 175.30 1pma s VAL 120 N 1.06 0.02 -0.12 4.45 0.11 -0.29 -4.98 120.40 120.65 1pma s VAL 120 Ca -0.09 -0.19 -0.06 0.00 -2.93 0.00 0.00 61.98 58.71 1pma s VAL 120 Cb -0.14 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 1pma s VAL 120 CO -0.01 -0.10 0.12 -0.70 -3.33 0.00 0.00 175.10 171.08 1pma s GLU 121 N -0.30 3.39 0.34 1.54 2.12 -1.26 0.00 118.70 124.54 1pma s GLU 121 Ca -0.04 -0.17 0.07 0.00 0.36 0.00 0.00 54.97 55.19 1pma s GLU 121 Cb -0.03 -3.14 -0.03 0.00 0.26 0.00 0.00 34.13 31.20 1pma s GLU 121 CO 0.00 0.76 0.26 0.34 -0.54 0.00 0.00 175.26 176.08 1pma s ASP 122 N -0.98 1.82 0.00 -1.70 2.15 -1.10 -5.00 116.67 111.85 1pma s ASP 122 Ca 0.15 -1.75 0.25 0.00 0.43 0.00 0.00 52.55 51.63 1pma s ASP 122 Cb -0.12 0.55 0.56 0.00 -0.30 0.00 0.00 42.92 43.61 1pma s ASP 122 CO 0.04 -1.04 1.44 2.30 -0.17 0.00 0.00 175.17 177.73 1pma n ILE 123 N -0.66 0.00 -3.64 4.11 -0.00 -1.26 -4.36 119.36 113.55 1pma n ILE 123 Ca 0.05 -0.06 -0.02 0.00 -0.00 0.00 0.00 62.75 62.73 1pma n ILE 123 Cb 0.63 0.37 -0.02 0.00 -0.00 0.00 0.00 39.64 40.61 1pma n ILE 123 CO 0.00 0.00 0.00 -0.72 -0.00 0.00 0.00 176.55 175.83 1pma s TYR 124 N -2.79 -0.02 -0.21 4.28 1.13 -1.26 -1.14 117.35 117.34 1pma s TYR 124 Ca 0.16 0.02 -0.30 0.00 -1.41 0.00 0.00 57.07 55.54 1pma s TYR 124 Cb 0.18 0.50 0.15 0.00 -1.10 0.00 0.00 41.96 41.70 1pma s TYR 124 CO 0.63 -0.03 1.15 0.00 -2.51 0.00 0.00 175.55 174.79 1pma s ALA 125 N -1.85 -2.01 0.23 9.51 0.00 -0.45 -5.01 121.76 122.18 1pma s ALA 125 Ca 0.11 1.70 0.11 0.00 0.00 0.00 0.00 51.96 53.88 1pma s ALA 125 Cb -0.01 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 1pma s ALA 125 CO -0.04 -0.30 -0.17 0.45 0.00 0.00 0.00 175.76 175.71 1pma s SER 126 N -1.13 3.77 0.01 0.00 0.15 -1.26 -1.68 113.70 113.57 1pma s SER 126 Ca 0.03 -0.84 0.00 0.00 0.70 0.00 0.00 55.95 55.84 1pma s SER 126 Cb -0.01 -0.43 -0.01 0.00 -1.71 0.00 0.00 66.02 63.87 1pma s SER 126 CO -0.03 0.07 -0.02 -0.89 1.20 0.00 0.00 173.24 173.58 1pma s THR 127 N -2.05 0.08 0.00 6.45 2.01 0.27 -4.93 115.64 117.48 1pma s THR 127 Ca 0.26 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.80 1pma s THR 127 Cb -0.07 -0.15 0.00 0.00 0.01 0.00 0.00 72.50 72.29 1pma s THR 127 CO 0.14 -0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.44 1pma n GLY 128 N 2.34 1.76 0.33 4.40 0.00 -1.26 -0.16 105.19 112.59 1pma n GLY 128 Ca -0.18 -2.12 0.22 0.00 0.00 0.00 0.00 46.02 43.94 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 0.41 -0.58 1.61 0.87 0.35 0.22 113.55 116.42 1pma h SER 129 Ca 0.00 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1pma h SER 129 Cb 0.00 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1pma h SER 129 CO 0.00 -0.16 0.00 0.61 -0.53 0.00 0.00 176.83 176.75 1pma n GLY 130 N -1.31 1.85 0.38 5.77 0.00 -1.18 -4.71 105.19 105.99 1pma n GLY 130 Ca 0.30 -0.65 -0.02 0.00 0.00 0.00 0.00 46.02 45.66 1pma n GLY 130 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pma h SER 131 N 3.45 -1.40 -0.55 1.61 0.02 -0.80 -2.24 113.55 113.64 1pma h SER 131 Ca 0.00 0.30 0.10 0.00 -0.84 0.00 0.00 61.79 61.35 1pma h SER 131 Cb 0.86 0.73 -0.08 0.00 0.14 0.00 0.00 62.40 64.06 1pma h SER 131 CO 0.03 -0.29 0.12 -0.65 -1.14 0.00 0.00 176.83 174.90 1pma h PRO 132 N -0.02 0.25 0.27 3.45 0.11 -1.84 0.12 132.00 134.34 1pma h PRO 132 Ca 0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1pma h PRO 132 Cb 0.59 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.62 1pma h PRO 132 CO -0.95 0.16 -0.32 0.74 -0.21 0.00 0.00 178.00 177.43 1pma h PHE 133 N 0.26 -0.87 -0.57 0.65 0.04 -1.78 -0.11 116.94 114.56 1pma h PHE 133 Ca 0.28 0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.09 1pma h PHE 133 Cb 0.39 0.35 -0.04 0.00 2.20 0.00 0.00 35.95 38.84 1pma h PHE 133 CO -0.23 -0.45 0.34 -0.24 -0.60 0.00 0.00 178.31 177.13 1pma h VAL 134 N -0.64 1.05 -0.32 -0.55 3.04 -1.39 0.21 116.25 117.65 1pma h VAL 134 Ca -0.00 -0.23 0.09 0.00 -1.01 0.00 0.00 66.70 65.55 1pma h VAL 134 Cb 0.60 0.32 -0.01 0.00 -2.01 0.00 0.00 31.29 30.19 1pma h VAL 134 CO -0.10 0.12 0.36 1.88 -1.01 0.00 0.00 177.57 178.83 1pma h TYR 135 N 0.67 0.00 0.19 3.17 0.05 -0.05 -1.21 116.97 119.79 1pma h TYR 135 Ca 0.23 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.00 1pma h TYR 135 Cb 0.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.79 1pma h TYR 135 CO -0.06 0.00 -0.09 0.78 -1.05 0.00 0.00 178.16 177.74 1pma h GLY 136 N 0.00 -0.27 0.38 3.88 0.00 0.13 -1.48 103.07 105.70 1pma h GLY 136 Ca 0.15 0.10 0.17 0.00 0.00 0.00 0.00 47.33 47.75 1pma h GLY 136 CO -0.00 -0.10 0.59 -0.39 0.00 0.00 0.00 176.54 176.64 1pma h VAL 137 N -0.39 0.76 -0.16 4.60 -1.51 -1.08 0.18 116.25 118.65 1pma h VAL 137 Ca -0.03 -0.21 -0.03 0.00 -1.23 0.00 0.00 66.70 65.20 1pma h VAL 137 Cb 0.20 0.08 -0.01 0.00 -2.13 0.00 0.00 31.29 29.44 1pma h VAL 137 CO 0.04 0.11 -0.03 -0.07 -1.23 0.00 0.00 177.57 176.40 1pma h LEU 138 N 0.62 0.30 -2.21 4.19 4.07 -1.33 0.57 115.31 121.53 1pma h LEU 138 Ca 0.48 -0.35 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 1pma h LEU 138 Cb 0.89 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.55 1pma h LEU 138 CO -0.23 0.58 -0.06 -0.08 -1.08 0.00 0.00 178.44 177.57 1pma h GLU 139 N 0.02 0.00 0.13 1.13 4.57 0.17 -0.25 114.58 120.35 1pma h GLU 139 Ca 0.04 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.87 1pma h GLU 139 Cb 0.44 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1pma h GLU 139 CO 0.01 0.06 -1.86 1.03 -1.18 0.00 0.00 179.01 177.07 1pma h SER 140 N 0.00 0.43 0.00 1.04 0.87 -0.07 -3.44 113.55 112.38 1pma h SER 140 Ca -0.00 -0.82 0.00 0.00 -1.23 0.00 0.00 61.79 59.74 1pma h SER 140 Cb 0.18 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1pma h SER 140 CO 0.01 1.72 0.00 0.00 -0.53 0.00 0.00 176.83 178.03 1pma n GLN 141 N -3.47 2.60 -2.30 2.24 6.02 0.19 -5.06 117.38 117.61 1pma n GLN 141 Ca -0.27 -0.18 -0.41 0.00 -0.01 0.00 0.00 57.00 56.14 1pma n GLN 141 Cb 1.06 -0.61 -0.03 0.00 1.02 0.00 0.00 30.24 31.67 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 -0.42 3.32 -0.04 1.08 5.04 -0.12 -5.02 117.35 121.19 1pma s TYR 142 Ca 0.00 1.53 -0.01 0.00 -2.44 0.00 0.00 57.07 56.15 1pma s TYR 142 Cb 0.00 -3.48 0.03 0.00 0.35 0.00 0.00 41.96 38.86 1pma s TYR 142 CO 0.00 -1.24 0.07 0.45 -1.34 0.00 0.00 175.55 173.49 1pma s SER 143 N -0.56 0.10 0.00 4.32 0.15 -1.26 -4.98 113.70 111.47 1pma s SER 143 Ca 0.48 0.13 0.07 0.00 0.70 0.00 0.00 55.95 57.33 1pma s SER 143 Cb -0.36 0.02 0.37 0.00 -1.71 0.00 0.00 66.02 64.34 1pma s SER 143 CO 0.46 -0.15 0.97 -1.84 1.20 0.00 0.00 173.24 173.88 1pma n GLU 144 N 4.30 0.15 -0.89 5.44 -0.00 -1.26 -1.79 120.64 126.59 1pma n GLU 144 Ca -0.25 0.11 0.02 0.00 -0.00 0.00 0.00 57.16 57.04 1pma n GLU 144 Cb 0.50 -1.50 0.34 0.00 -0.00 0.00 0.00 31.44 30.79 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 -1.14 4.09 -2.65 3.44 5.02 -1.26 -4.36 118.16 121.30 1pma n LYS 145 Ca 0.04 -3.10 -0.26 0.00 -2.02 0.00 0.00 58.31 52.97 1pma n LYS 145 Cb 0.04 -2.18 0.02 0.00 -0.02 0.00 0.00 35.03 32.88 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 -2.89 3.16 0.22 1.97 -1.94 -0.74 -5.09 119.30 113.99 1pma s MET 146 Ca 0.53 -0.08 0.03 0.00 -1.71 0.00 0.00 55.69 54.47 1pma s MET 146 Cb 0.42 -2.39 -0.03 0.00 2.01 0.00 0.00 34.83 34.84 1pma s MET 146 CO 0.14 -0.41 0.36 0.95 -0.01 0.00 0.00 175.02 176.04 1pma s THR 147 N -2.78 5.26 0.52 2.05 -4.23 -1.26 -4.77 115.64 110.43 1pma s THR 147 Ca 0.50 -0.81 0.29 0.00 -1.18 0.00 0.00 61.69 60.49 1pma s THR 147 Cb -0.10 -3.82 0.45 0.00 1.34 0.00 0.00 72.50 70.37 1pma s THR 147 CO 0.43 -0.28 1.91 1.62 -0.54 0.00 0.00 174.62 177.76 1pma h VAL 148 N 1.28 0.61 0.14 2.29 3.04 -1.98 0.29 116.25 121.92 1pma h VAL 148 Ca -0.51 -0.02 -0.30 0.00 -1.01 0.00 0.00 66.70 64.87 1pma h VAL 148 Cb 1.22 0.56 0.03 0.00 -2.01 0.00 0.00 31.29 31.08 1pma h VAL 148 CO 0.64 0.01 -1.28 -0.78 -1.01 0.00 0.00 177.57 175.14 1pma h ASP 149 N 0.05 0.82 -0.72 3.17 1.82 -2.00 -1.87 116.42 117.68 1pma h ASP 149 Ca 0.39 -0.79 -0.03 0.00 -0.39 0.00 0.00 57.03 56.22 1pma h ASP 149 Cb 1.49 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 41.21 1pma h ASP 149 CO -0.02 1.59 0.35 -0.33 -1.61 0.00 0.00 179.24 179.22 1pma h GLU 150 N 0.23 1.04 0.18 0.28 5.08 -1.21 -3.00 114.58 117.19 1pma h GLU 150 Ca -0.19 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1pma h GLU 150 Cb 1.96 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.99 1pma h GLU 150 CO 0.24 0.82 -0.41 0.78 -1.00 0.00 0.00 179.01 179.44 1pma h GLY 151 N 1.02 -1.17 -0.25 -3.84 0.00 -0.46 -1.24 103.07 97.13 1pma h GLY 151 Ca 0.25 0.60 0.29 0.00 0.00 0.00 0.00 47.33 48.47 1pma h GLY 151 CO -0.03 -0.32 0.71 -0.24 0.00 0.00 0.00 176.54 176.65 1pma h VAL 152 N -0.65 0.47 0.24 4.60 3.04 -1.28 -0.50 116.25 122.18 1pma h VAL 152 Ca -0.02 -0.11 -0.01 0.00 -1.01 0.00 0.00 66.70 65.55 1pma h VAL 152 Cb 0.62 0.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.04 1pma h VAL 152 CO -0.17 0.06 -0.12 0.44 -1.01 0.00 0.00 177.57 176.76 1pma h ASP 153 N 0.31 -0.28 -0.53 3.17 5.19 -1.15 -1.93 116.42 121.21 1pma h ASP 153 Ca 0.61 -0.22 0.08 0.00 -0.62 0.00 0.00 57.03 56.88 1pma h ASP 153 Cb 1.70 0.07 -0.10 0.00 0.18 0.00 0.00 39.33 41.18 1pma h ASP 153 CO -0.27 0.11 -0.44 0.25 -3.12 0.00 0.00 179.24 175.77 1pma h LEU 154 N -0.71 -1.49 -0.35 1.55 5.85 -0.04 0.24 115.31 120.37 1pma h LEU 154 Ca -0.03 0.24 0.08 0.00 0.84 0.00 0.00 57.88 59.00 1pma h LEU 154 Cb 0.48 0.67 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 1pma h LEU 154 CO 0.05 -0.35 -0.17 0.58 -0.34 0.00 0.00 178.44 178.22 1pma h VAL 155 N -0.26 0.49 -0.85 1.05 2.07 -1.26 0.13 116.25 117.62 1pma h VAL 155 Ca 0.16 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.74 1pma h VAL 155 Cb 0.57 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1pma h VAL 155 CO -0.66 0.00 0.56 0.40 0.02 0.00 0.00 177.57 177.89 1pma h ILE 156 N -0.11 1.07 0.72 4.57 2.04 0.01 -1.79 117.51 124.03 1pma h ILE 156 Ca 0.18 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1pma h ILE 156 Cb 0.38 0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1pma h ILE 156 CO -0.42 0.18 -0.35 0.03 0.00 0.00 0.00 178.15 177.59 1pma h ARG 157 N 0.97 -0.93 -0.50 2.37 3.08 0.11 -1.96 114.38 117.53 1pma h ARG 157 Ca 0.36 0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.55 1pma h ARG 157 Cb 0.18 0.21 -0.10 0.00 0.08 0.00 0.00 29.97 30.35 1pma h ARG 157 CO -0.13 -0.60 -0.47 0.00 -1.07 0.00 0.00 179.97 177.70 1pma h ALA 158 N -1.10 -0.49 -0.99 0.04 0.00 -0.49 0.15 119.26 116.39 1pma h ALA 158 Ca -0.10 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1pma h ALA 158 Cb 0.76 1.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.50 1pma h ALA 158 CO 0.16 -0.90 0.65 0.82 0.00 0.00 0.00 179.25 179.98 1pma h ILE 159 N -0.30 1.19 -0.86 0.00 2.04 -1.41 -1.07 117.51 117.10 1pma h ILE 159 Ca 0.14 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.58 1pma h ILE 159 Cb 0.58 -0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 1pma h ILE 159 CO -0.64 0.23 0.57 0.28 0.00 0.00 0.00 178.15 178.59 1pma h SER 160 N 1.28 0.95 0.43 1.72 0.02 -0.00 0.43 113.55 118.38 1pma h SER 160 Ca 0.39 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.30 1pma h SER 160 Cb -0.04 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.28 1pma h SER 160 CO -0.11 0.67 -0.21 0.00 -1.14 0.00 0.00 176.83 176.04 1pma h ALA 161 N 1.48 -0.57 -0.94 3.77 0.00 0.34 -2.54 119.26 120.81 1pma h ALA 161 Ca 0.33 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 55.26 1pma h ALA 161 Cb -0.05 0.22 -0.10 0.00 0.00 0.00 0.00 17.79 17.86 1pma h ALA 161 CO -0.09 -0.76 0.53 0.00 0.00 0.00 0.00 179.25 178.93 1pma h ALA 162 N -0.19 1.50 -0.45 0.00 0.00 -0.82 0.64 119.26 119.94 1pma h ALA 162 Ca -0.06 0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1pma h ALA 162 Cb 0.51 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1pma h ALA 162 CO 0.10 -0.08 0.31 0.87 0.00 0.00 0.00 179.25 180.44 1pma h LYS 163 N 0.68 0.15 -0.15 0.00 1.57 -0.51 0.02 116.57 118.34 1pma h LYS 163 Ca 0.53 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 59.12 1pma h LYS 163 Cb 0.81 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.10 1pma h LYS 163 CO -0.39 0.10 -0.63 1.96 -0.57 0.00 0.00 179.45 179.92 1pma h GLN 164 N 0.16 0.69 -0.31 3.15 1.08 0.56 -3.32 115.11 117.12 1pma h GLN 164 Ca 0.21 -0.55 0.00 0.00 -1.45 0.00 0.00 58.65 56.86 1pma h GLN 164 Cb 0.62 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 1pma h GLN 164 CO -0.03 1.16 0.00 0.54 -0.95 0.00 0.00 178.83 179.55 1pma n ARG 165 N -4.07 2.45 -3.70 1.46 3.00 -0.89 -4.86 116.66 110.05 1pma n ARG 165 Ca -0.07 -2.17 -0.29 0.00 -0.01 0.00 0.00 57.85 55.30 1pma n ARG 165 Cb 0.67 -1.50 -0.16 0.00 0.00 0.00 0.00 32.46 31.47 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 -1.61 3.49 0.66 0.55 2.15 -0.06 -4.99 116.67 116.86 1pma s ASP 166 Ca 0.36 -1.24 0.42 0.00 0.43 0.00 0.00 52.55 52.52 1pma s ASP 166 Cb 0.22 -0.66 2.31 0.00 -0.30 0.00 0.00 42.92 44.49 1pma s ASP 166 CO 0.31 -0.37 2.34 0.77 -0.17 0.00 0.00 175.17 178.04 1pma h SER 167 N 8.21 0.00 0.75 -0.34 4.64 -1.87 0.13 113.55 125.07 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 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1pma h SER 167 CO 0.41 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.37 1pma n ALA 168 N -2.10 2.37 -2.58 5.18 0.00 -1.26 -4.82 120.51 117.30 1pma n ALA 168 Ca -0.03 -0.12 -0.25 0.00 0.00 0.00 0.00 53.44 53.04 1pma n ALA 168 Cb 0.09 -1.47 -0.09 0.00 0.00 0.00 0.00 19.45 17.99 1pma n ALA 168 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1pma s SER 169 N -2.78 4.25 0.00 0.00 0.01 0.03 0.14 113.70 115.36 1pma s SER 169 Ca 0.21 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.83 1pma s SER 169 Cb 0.19 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.72 1pma s SER 169 CO 0.48 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.81 1pma n GLY 170 N -0.27 -1.27 0.46 3.44 0.00 -1.26 -4.87 105.19 101.40 1pma n GLY 170 Ca -0.09 -1.04 0.06 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 -1.67 3.67 -0.02 0.00 -1.26 -0.98 105.19 104.93 1pma n GLY 171 Ca 0.00 -1.41 -0.48 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.34 2.09 -3.02 1.61 0.00 -1.26 -4.42 117.12 109.78 1pma n MET 172 Ca -0.00 0.76 -0.40 0.00 -0.00 0.00 0.00 57.70 58.06 1pma n MET 172 Cb 0.21 -2.55 -0.05 0.00 0.00 0.00 0.00 33.22 30.83 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 2.30 5.02 -0.02 1.12 -1.16 -1.26 -3.57 121.20 123.62 1pma s ILE 173 Ca 0.85 1.47 0.05 0.00 -0.51 0.00 0.00 60.65 62.52 1pma s ILE 173 Cb -0.71 -4.06 -0.01 0.00 0.61 0.00 0.00 42.46 38.29 1pma s ILE 173 CO 0.45 0.21 -0.18 1.51 -2.81 0.00 0.00 174.94 174.12 1pma s ASP 174 N 0.89 2.12 0.19 4.50 1.47 -0.30 -4.88 116.67 120.65 1pma s ASP 174 Ca 0.38 -0.33 0.11 0.00 1.18 0.00 0.00 52.55 53.89 1pma s ASP 174 Cb -0.18 -0.31 -0.04 0.00 -0.34 0.00 0.00 42.92 42.05 1pma s ASP 174 CO 0.17 0.21 -0.24 0.54 0.68 0.00 0.00 175.17 176.53 1pma s VAL 175 N -0.32 2.36 -0.02 2.11 0.11 -1.26 -2.27 120.40 121.11 1pma s VAL 175 Ca 0.05 -2.01 0.00 0.00 -2.93 0.00 0.00 61.98 57.09 1pma s VAL 175 Cb -0.08 -2.13 0.02 0.00 -1.53 0.00 0.00 36.38 32.67 1pma s VAL 175 CO -0.00 -0.10 0.01 0.00 -3.33 0.00 0.00 175.10 171.67 1pma s ALA 176 N -1.63 0.20 -0.09 1.54 0.00 -0.40 -1.13 121.76 120.25 1pma s ALA 176 Ca 0.20 0.16 0.04 0.00 0.00 0.00 0.00 51.96 52.36 1pma s ALA 176 Cb -0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1pma s ALA 176 CO 0.10 -0.06 -0.21 0.54 0.00 0.00 0.00 175.76 176.13 1pma s VAL 177 N 0.78 2.35 -0.15 0.00 0.11 0.14 -0.85 120.40 122.78 1pma s VAL 177 Ca -0.07 -0.93 0.02 0.00 -2.93 0.00 0.00 61.98 58.06 1pma s VAL 177 Cb -0.10 -1.91 0.02 0.00 -1.53 0.00 0.00 36.38 32.85 1pma s VAL 177 CO -0.02 0.56 -0.19 -0.51 -3.33 0.00 0.00 175.10 171.61 1pma s ILE 178 N 0.13 1.89 0.10 7.04 2.07 -0.39 -1.19 121.20 130.85 1pma s ILE 178 Ca -0.11 -0.86 0.04 0.00 -1.41 0.00 0.00 60.65 58.32 1pma s ILE 178 Cb -0.16 -1.70 -0.04 0.00 0.13 0.00 0.00 42.46 40.69 1pma s ILE 178 CO 0.06 0.52 -0.12 0.28 -1.91 0.00 0.00 174.94 173.77 1pma s THR 179 N 1.08 1.07 0.25 4.00 -1.32 -0.75 -2.23 115.64 117.72 1pma s THR 179 Ca -0.02 -1.63 -0.05 0.00 -1.21 0.00 0.00 61.69 58.78 1pma s THR 179 Cb -0.14 -1.38 0.20 0.00 -1.51 0.00 0.00 72.50 69.67 1pma s THR 179 CO -0.06 -0.48 1.85 -0.09 -2.21 0.00 0.00 174.62 173.62 1pma h ARG 180 N 3.62 1.16 0.70 7.08 9.65 -1.85 1.41 114.38 136.15 1pma h ARG 180 Ca -0.38 -0.16 -0.03 0.00 -1.10 0.00 0.00 59.98 58.31 1pma h ARG 180 Cb 1.19 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 29.55 1pma h ARG 180 CO 0.51 0.88 -0.49 -0.22 2.80 0.00 0.00 179.97 183.45 1pma h LYS 181 N 1.15 -1.09 0.00 0.20 1.63 -1.97 -3.31 116.57 113.18 1pma h LYS 181 Ca 0.28 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.16 1pma h LYS 181 Cb 0.09 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1pma h LYS 181 CO -0.04 -0.73 -1.13 -0.25 -3.45 0.00 0.00 179.45 173.86 1pma n ASP 182 N -5.60 0.84 0.00 4.20 8.00 -1.20 -5.09 116.55 117.70 1pma n ASP 182 Ca -0.14 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.54 1pma n ASP 182 Cb 0.48 1.11 0.00 0.00 -0.02 0.00 0.00 41.12 42.70 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 1.46 -1.10 3.63 0.44 0.00 0.48 -4.71 105.19 105.40 1pma n GLY 183 Ca 0.03 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 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 3.22 -0.07 1.61 6.14 -1.06 -1.82 117.35 125.38 1pma s TYR 184 Ca 0.00 1.05 0.03 0.00 0.64 0.00 0.00 57.07 58.79 1pma s TYR 184 Cb 0.00 -3.33 0.01 0.00 0.42 0.00 0.00 41.96 39.05 1pma s TYR 184 CO 0.00 -0.59 -0.16 0.54 0.64 0.00 0.00 175.55 175.98 1pma s VAL 185 N 3.17 1.44 -0.25 3.14 0.11 -0.33 -4.99 120.40 122.69 1pma s VAL 185 Ca 0.38 -0.67 -0.10 0.00 -2.93 0.00 0.00 61.98 58.65 1pma s VAL 185 Cb -0.14 -1.27 -0.05 0.00 -1.53 0.00 0.00 36.38 33.39 1pma s VAL 185 CO 0.12 0.42 0.16 -1.58 -3.33 0.00 0.00 175.10 170.89 1pma s GLN 186 N 0.43 4.03 0.50 1.54 0.74 -1.26 0.25 119.66 125.89 1pma s GLN 186 Ca -0.13 -0.29 -0.22 0.00 0.05 0.00 0.00 55.36 54.77 1pma s GLN 186 Cb -0.15 -3.55 -0.06 0.00 1.10 0.00 0.00 33.01 30.35 1pma s GLN 186 CO 0.05 0.01 1.27 -0.51 -0.55 0.00 0.00 175.29 175.57 1pma s LEU 187 N 1.19 3.94 0.28 3.68 1.02 -0.28 -4.96 118.68 123.55 1pma s LEU 187 Ca 0.07 2.57 -0.29 0.00 0.02 0.00 0.00 54.13 56.50 1pma s LEU 187 Cb -0.14 -4.23 -0.10 0.00 0.02 0.00 0.00 46.19 41.74 1pma s LEU 187 CO 0.06 -1.25 1.37 -2.84 0.02 0.00 0.00 176.35 173.70 1pma s PRO 188 N -2.78 4.32 0.24 1.29 0.02 -1.26 -4.73 135.00 132.10 1pma s PRO 188 Ca 0.67 2.24 -0.07 0.00 0.02 0.00 0.00 61.00 63.86 1pma s PRO 188 Cb -0.35 -3.10 0.43 0.00 0.02 0.00 0.00 34.50 31.49 1pma s PRO 188 CO 0.42 -0.30 1.64 0.00 -0.33 0.00 0.00 177.00 178.43 1pma h THR 189 N 3.35 0.37 -0.24 0.99 1.03 -1.97 -1.61 112.91 114.82 1pma h THR 189 Ca -0.47 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 65.89 1pma h THR 189 Cb 1.22 0.24 -0.01 0.00 -1.07 0.00 0.00 68.15 68.53 1pma h THR 189 CO 0.72 0.02 0.15 -2.24 -0.01 0.00 0.00 175.52 174.17 1pma h ASP 190 N 0.11 0.26 -0.93 0.00 3.04 -1.99 -0.75 116.42 116.17 1pma h ASP 190 Ca 0.40 -0.01 0.05 0.00 -3.24 0.00 0.00 57.03 54.24 1pma h ASP 190 Cb 0.71 -0.06 -0.06 0.00 -1.04 0.00 0.00 39.33 38.88 1pma h ASP 190 CO -0.64 0.19 0.61 -0.61 -2.04 0.00 0.00 179.24 176.75 1pma h GLN 191 N 0.32 1.08 0.86 4.15 4.15 -1.71 0.21 115.11 124.16 1pma h GLN 191 Ca 0.09 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 1pma h GLN 191 Cb -0.03 -0.24 0.01 0.00 0.21 0.00 0.00 27.48 27.43 1pma h GLN 191 CO -0.02 0.71 -0.41 0.82 -1.93 0.00 0.00 178.83 178.00 1pma h ILE 192 N 1.11 0.00 -0.06 2.39 2.04 -0.65 -1.05 117.51 121.28 1pma h ILE 192 Ca 0.39 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 66.13 1pma h ILE 192 Cb 0.12 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.19 1pma h ILE 192 CO -0.14 0.00 0.09 1.05 0.00 0.00 0.00 178.15 179.15 1pma h GLU 193 N -1.29 0.00 0.16 2.37 4.11 -0.81 0.10 114.58 119.22 1pma h GLU 193 Ca -0.12 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.30 1pma h GLU 193 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1pma h GLU 193 CO 0.19 0.00 -0.08 1.03 0.07 0.00 0.00 179.01 180.23 1pma h SER 194 N 0.00 -0.18 -0.83 3.06 0.87 -0.30 -2.08 113.55 114.09 1pma h SER 194 Ca 0.03 -0.27 0.07 0.00 -1.23 0.00 0.00 61.79 60.39 1pma h SER 194 Cb 0.20 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.15 1pma h SER 194 CO -0.00 0.19 0.54 0.03 -0.53 0.00 0.00 176.83 177.06 1pma h ARG 195 N -0.57 0.87 0.39 2.24 3.08 0.50 -0.43 114.38 120.46 1pma h ARG 195 Ca -0.02 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1pma h ARG 195 Cb 0.43 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1pma h ARG 195 CO 0.04 0.58 -0.43 0.82 -1.07 0.00 0.00 179.97 179.90 1pma h ILE 196 N 0.90 0.14 -0.23 2.04 2.04 -1.09 0.12 117.51 121.43 1pma h ILE 196 Ca 0.36 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.28 1pma h ILE 196 Cb 0.25 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.42 1pma h ILE 196 CO -0.13 0.00 -0.11 -0.09 0.00 0.00 0.00 178.15 177.81 1pma h ARG 197 N -0.84 -0.08 -0.85 2.37 2.43 -0.94 -1.56 114.38 114.90 1pma h ARG 197 Ca -0.03 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.24 1pma h ARG 197 Cb 0.76 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.25 1pma h ARG 197 CO -0.09 -0.06 0.50 -0.22 -1.51 0.00 0.00 179.97 178.59 1pma h LYS 198 N -0.09 0.80 0.00 0.20 3.64 -0.84 -1.40 116.57 118.87 1pma h LYS 198 Ca 0.13 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1pma h LYS 198 Cb 0.27 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1pma h LYS 198 CO -0.29 0.53 0.00 1.28 -2.27 0.00 0.00 179.45 178.70 1pma n LEU 199 N -4.72 0.00 -0.14 5.20 4.77 0.39 -4.88 117.00 117.62 1pma n LEU 199 Ca 0.14 0.35 -0.02 0.00 -0.03 0.00 0.00 56.01 56.45 1pma n LEU 199 Cb 0.29 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1pma n LEU 199 CO 0.27 -0.07 -0.02 0.61 -1.33 0.00 0.00 177.39 176.85 1pma n GLY 200 N 0.80 0.48 2.90 -0.72 0.00 -0.53 -5.05 105.19 103.07 1pma n GLY 200 Ca 0.10 -0.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.20 0.00 -4.12 0.99 4.32 -0.68 -5.03 117.00 112.28 1pma n LEU 201 Ca -0.02 -1.50 -0.10 0.00 -0.02 0.00 0.00 56.01 54.37 1pma n LEU 201 Cb 0.12 -0.52 -0.10 0.00 -1.62 0.00 0.00 43.42 41.29 1pma n LEU 201 CO 0.03 -0.92 -0.38 -0.51 -1.22 0.00 0.00 177.39 174.39 1pma s ILE 202 N -2.38 0.54 0.00 -0.08 2.07 -1.26 -4.57 121.20 115.52 1pma s ILE 202 Ca 0.50 -1.70 0.00 0.00 -1.41 0.00 0.00 60.65 58.05 1pma s ILE 202 Cb -0.03 -1.38 0.00 0.00 0.13 0.00 0.00 42.46 41.19 1pma s ILE 202 CO 0.34 -0.79 0.00 -0.11 -1.91 0.00 0.00 174.94 172.47