#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 -0.02 0.16 1.09 -1.32 -1.26 0.13 115.64 114.42 1pma s THR 2 Ca 0.00 0.08 0.04 0.00 -1.21 0.00 0.00 61.69 60.60 1pma s THR 2 Cb 0.00 -0.21 -0.05 0.00 -1.51 0.00 0.00 72.50 70.74 1pma s THR 2 CO 0.00 0.03 -0.07 0.42 -2.21 0.00 0.00 174.62 172.79 1pma s THR 3 N 0.57 1.07 -0.22 5.08 -4.23 0.44 -2.73 115.64 115.61 1pma s THR 3 Ca -0.04 -2.04 -0.19 0.00 -1.18 0.00 0.00 61.69 58.24 1pma s THR 3 Cb -0.06 -1.97 0.06 0.00 1.34 0.00 0.00 72.50 71.87 1pma s THR 3 CO -0.03 -0.64 0.59 0.54 -0.54 0.00 0.00 174.62 174.54 1pma s VAL 4 N -3.40 -0.00 -0.04 2.29 0.11 0.17 -0.48 120.40 119.04 1pma s VAL 4 Ca 0.20 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.30 1pma s VAL 4 Cb 0.04 -0.82 -0.00 0.00 -1.53 0.00 0.00 36.38 34.06 1pma s VAL 4 CO 0.02 0.00 -0.18 -0.83 -3.33 0.00 0.00 175.10 170.79 1pma s GLY 5 N 0.57 0.96 0.01 6.54 0.00 -0.84 -0.75 107.32 113.81 1pma s GLY 5 Ca -0.02 -0.73 0.03 0.00 0.00 0.00 0.00 44.72 44.00 1pma s GLY 5 CO -0.03 -0.38 -0.08 -1.50 0.00 0.00 0.00 173.10 171.11 1pma s ILE 6 N 0.02 0.65 0.05 0.90 2.07 0.89 -1.73 121.20 124.05 1pma s ILE 6 Ca -0.04 -0.57 0.02 0.00 -1.41 0.00 0.00 60.65 58.65 1pma s ILE 6 Cb -0.12 -0.59 -0.04 0.00 0.13 0.00 0.00 42.46 41.85 1pma s ILE 6 CO 0.02 0.03 0.07 -0.89 -1.91 0.00 0.00 174.94 172.26 1pma s THR 7 N -0.52 4.55 -0.28 4.00 2.01 0.12 -1.48 115.64 124.04 1pma s THR 7 Ca 0.00 -0.66 -0.23 0.00 0.31 0.00 0.00 61.69 61.11 1pma s THR 7 Cb -0.05 -3.15 0.13 0.00 0.01 0.00 0.00 72.50 69.44 1pma s THR 7 CO 0.00 0.20 1.02 -1.48 -0.69 0.00 0.00 174.62 173.68 1pma s LEU 8 N -2.15 -0.46 0.00 4.42 0.05 -1.10 -4.89 118.68 114.54 1pma s LEU 8 Ca 0.27 0.86 0.00 0.00 0.05 0.00 0.00 54.13 55.31 1pma s LEU 8 Cb -0.12 1.85 0.00 0.00 -2.05 0.00 0.00 46.19 45.87 1pma s LEU 8 CO 0.19 -0.15 0.00 1.17 -0.55 0.00 0.00 176.35 177.01 1pma n LYS 9 N 2.54 0.00 -1.50 1.48 3.00 -1.26 -1.05 118.16 121.37 1pma n LYS 9 Ca -0.14 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.03 1pma n LYS 9 Cb 0.56 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.68 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 1.01 3.89 -3.36 3.14 8.00 -1.26 -4.73 116.55 123.23 1pma n ASP 10 Ca 0.00 -3.80 -0.05 0.00 0.71 0.00 0.00 54.79 51.65 1pma n ASP 10 Cb 0.00 -0.43 0.01 0.00 -0.02 0.00 0.00 41.12 40.68 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 -3.48 -1.33 -0.08 2.24 0.00 -0.22 -4.42 121.76 114.47 1pma s ALA 11 Ca 0.47 -0.36 -0.07 0.00 0.00 0.00 0.00 51.96 52.01 1pma s ALA 11 Cb 0.40 0.72 0.03 0.00 0.00 0.00 0.00 23.12 24.27 1pma s ALA 11 CO 0.00 -1.04 0.21 0.54 0.00 0.00 0.00 175.76 175.48 1pma s VAL 12 N -2.58 -0.01 -0.00 0.00 0.11 -0.69 -2.72 120.40 114.51 1pma s VAL 12 Ca 0.17 0.04 0.07 0.00 -2.93 0.00 0.00 61.98 59.33 1pma s VAL 12 Cb -0.03 -0.31 -0.03 0.00 -1.53 0.00 0.00 36.38 34.48 1pma s VAL 12 CO 0.07 0.02 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.01 1pma s ILE 13 N 0.44 2.52 0.01 7.04 1.01 -0.55 -0.60 121.20 131.07 1pma s ILE 13 Ca -0.03 -1.06 0.02 0.00 0.00 0.00 0.00 60.65 59.57 1pma s ILE 13 Cb -0.04 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 1pma s ILE 13 CO -0.02 0.49 -0.05 -0.04 0.00 0.00 0.00 174.94 175.32 1pma s MET 14 N -0.94 0.41 0.14 2.79 -1.94 -0.50 -0.08 119.30 119.19 1pma s MET 14 Ca 0.12 -0.41 -0.21 0.00 -1.71 0.00 0.00 55.69 53.48 1pma s MET 14 Cb -0.10 -0.29 0.06 0.00 2.01 0.00 0.00 34.83 36.51 1pma s MET 14 CO 0.01 0.07 0.53 0.00 -0.01 0.00 0.00 175.02 175.62 1pma s ALA 15 N -0.67 -1.35 0.26 3.03 0.00 0.07 -1.29 121.76 121.81 1pma s ALA 15 Ca -0.04 0.33 -0.14 0.00 0.00 0.00 0.00 51.96 52.11 1pma s ALA 15 Cb -0.05 0.77 -0.00 0.00 0.00 0.00 0.00 23.12 23.84 1pma s ALA 15 CO -0.00 -0.70 0.52 0.95 0.00 0.00 0.00 175.76 176.53 1pma s THR 16 N -3.63 0.00 0.00 0.00 -4.23 -0.82 -0.66 115.64 106.31 1pma s THR 16 Ca 0.01 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 1pma s THR 16 Cb 0.00 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.64 1pma s THR 16 CO -0.11 0.00 0.00 -1.84 -0.54 0.00 0.00 174.62 172.13 1pma n GLU 17 N -0.40 2.37 -2.72 3.99 -0.00 -1.10 -0.79 120.64 121.99 1pma n GLU 17 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 57.16 57.12 1pma n GLU 17 Cb 0.61 0.00 0.11 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 -0.33 1.45 -3.30 3.44 1.85 -0.76 -4.64 116.66 114.36 1pma n ARG 18 Ca 0.00 -1.91 -0.40 0.00 -1.00 0.00 0.00 57.85 54.54 1pma n ARG 18 Cb 0.00 -0.18 -0.08 0.00 -1.05 0.00 0.00 32.46 31.14 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 -1.00 4.05 -0.22 2.89 3.52 -0.83 0.10 118.95 127.46 1pma s ARG 19 Ca 0.15 0.20 -0.05 0.00 -0.13 0.00 0.00 55.73 55.90 1pma s ARG 19 Cb 0.41 -3.65 -0.02 0.00 -1.56 0.00 0.00 34.95 30.13 1pma s ARG 19 CO -0.10 -0.31 -0.00 0.54 -0.81 0.00 0.00 175.30 174.62 1pma s VAL 20 N 2.18 3.79 0.36 7.11 0.11 0.21 -4.62 120.40 129.53 1pma s VAL 20 Ca 0.19 -0.36 0.05 0.00 -2.93 0.00 0.00 61.98 58.92 1pma s VAL 20 Cb -0.16 -2.73 -0.07 0.00 -1.53 0.00 0.00 36.38 31.89 1pma s VAL 20 CO 0.09 0.40 0.05 0.28 -3.33 0.00 0.00 175.10 172.59 1pma s THR 21 N 1.37 1.39 -0.44 5.04 -1.32 -1.26 -1.02 115.64 119.39 1pma s THR 21 Ca 0.05 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.55 1pma s THR 21 Cb -0.15 -2.82 0.14 0.00 -1.51 0.00 0.00 72.50 68.17 1pma s THR 21 CO 0.00 0.00 0.26 -0.32 -2.21 0.00 0.00 174.62 172.36 1pma s MET 22 N -3.83 1.23 6.68 7.08 -2.45 -0.30 -4.84 119.30 122.87 1pma s MET 22 Ca 0.35 -2.02 0.00 0.00 -1.25 0.00 0.00 55.69 52.77 1pma s MET 22 Cb 0.09 -2.18 0.00 0.00 1.25 0.00 0.00 34.83 33.99 1pma s MET 22 CO 0.16 -1.20 0.00 0.39 1.05 0.00 0.00 175.02 175.42 1pma n GLU 23 N 3.43 0.00 -0.00 4.11 1.02 -1.26 -2.21 120.64 125.73 1pma n GLU 23 Ca 0.12 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.37 1pma n GLU 23 Cb 0.36 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.65 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 10.03 0.39 -4.56 1.62 6.94 -1.26 -4.76 115.26 123.65 1pma n ASN 24 Ca 0.00 -0.32 -0.36 0.00 -0.02 0.00 0.00 54.58 53.88 1pma n ASN 24 Cb 0.00 1.54 -0.04 0.00 -2.36 0.00 0.00 39.78 38.92 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 -3.33 2.28 -0.71 -2.53 5.36 -0.94 -4.90 117.98 113.22 1pma s PHE 25 Ca -0.02 -0.33 -0.26 0.00 -0.96 0.00 0.00 56.93 55.37 1pma s PHE 25 Cb 0.15 -4.48 -0.02 0.00 -0.34 0.00 0.00 43.02 38.33 1pma s PHE 25 CO 0.88 -1.89 1.78 -1.50 -1.46 0.00 0.00 175.22 173.04 1pma s ILE 26 N 6.69 3.45 -0.04 3.12 -1.16 -1.26 -1.15 121.20 130.84 1pma s ILE 26 Ca 0.54 0.07 0.12 0.00 -0.51 0.00 0.00 60.65 60.88 1pma s ILE 26 Cb -0.03 -4.14 -0.12 0.00 0.61 0.00 0.00 42.46 38.78 1pma s ILE 26 CO -0.06 -1.09 1.10 -0.03 -2.81 0.00 0.00 174.94 172.04 1pma h MET 27 N 13.34 0.00 -3.67 3.50 1.85 -1.85 -3.46 114.93 124.64 1pma h MET 27 Ca -0.17 0.00 -0.42 0.00 -0.61 0.00 0.00 59.70 58.49 1pma h MET 27 Cb 1.11 0.00 -0.38 0.00 0.43 0.00 0.00 31.60 32.76 1pma h MET 27 CO 1.23 0.60 -0.76 -1.01 -0.40 0.00 0.00 176.91 176.58 1pma s HIS 28 N -2.80 0.58 -0.47 1.39 3.76 -0.19 -5.02 115.29 112.53 1pma s HIS 28 Ca -0.00 -0.11 0.24 0.00 -0.15 0.00 0.00 55.06 55.03 1pma s HIS 28 Cb 0.09 -0.74 0.33 0.00 1.11 0.00 0.00 32.58 33.37 1pma s HIS 28 CO 0.80 -0.30 1.44 0.87 -0.85 0.00 0.00 174.74 176.70 1pma h LYS 29 N 8.25 0.00 -2.73 1.40 1.57 -1.84 0.62 116.57 123.85 1pma h LYS 29 Ca -0.20 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.97 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 0.26 0.00 -0.69 0.09 -0.57 0.00 0.00 179.45 178.54 1pma n ASN 30 N -2.67 2.26 -4.97 0.86 4.13 -1.25 -4.33 115.26 109.30 1pma n ASN 30 Ca 0.03 -3.05 -0.22 0.00 1.68 0.00 0.00 54.58 53.03 1pma n ASN 30 Cb 0.50 -0.70 0.03 0.00 -1.54 0.00 0.00 39.78 38.08 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 -1.30 1.78 -0.14 7.41 0.00 0.11 -5.04 107.32 110.14 1pma s GLY 31 Ca 0.30 -1.26 0.02 0.00 0.00 0.00 0.00 44.72 43.78 1pma s GLY 31 CO -0.15 -0.99 -0.21 1.25 0.00 0.00 0.00 173.10 173.00 1pma s LYS 32 N -4.75 3.05 -0.00 2.90 2.20 -1.26 -4.70 119.74 117.18 1pma s LYS 32 Ca 0.56 -0.84 0.01 0.00 -0.36 0.00 0.00 55.97 55.34 1pma s LYS 32 Cb -0.10 -2.45 -0.01 0.00 -1.51 0.00 0.00 37.83 33.76 1pma s LYS 32 CO 0.39 0.01 0.05 1.63 -0.36 0.00 0.00 175.35 177.06 1pma n LYS 33 N 4.00 5.93 -4.16 4.03 5.02 -1.26 -4.97 118.16 126.75 1pma n LYS 33 Ca -0.20 -0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.75 1pma n LYS 33 Cb 0.52 -0.60 -0.12 0.00 -0.02 0.00 0.00 35.03 34.81 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 -2.16 3.43 -0.02 -0.35 2.96 -1.26 -2.28 118.68 118.99 1pma s LEU 34 Ca 0.00 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 1pma s LEU 34 Cb 0.01 -1.86 0.02 0.00 0.50 0.00 0.00 46.19 44.86 1pma s LEU 34 CO 0.05 0.13 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.82 1pma s PHE 35 N 0.62 0.48 0.40 5.38 0.08 -0.81 -5.02 117.98 119.11 1pma s PHE 35 Ca 0.00 -0.09 -0.23 0.00 0.12 0.00 0.00 56.93 56.74 1pma s PHE 35 Cb -0.14 -0.44 -0.10 0.00 -0.57 0.00 0.00 43.02 41.77 1pma s PHE 35 CO 0.02 -0.11 0.96 -1.14 -0.10 0.00 0.00 175.22 174.86 1pma s GLN 36 N 0.61 4.31 0.00 0.44 0.74 -1.26 -0.52 119.66 123.98 1pma s GLN 36 Ca -0.07 1.24 0.00 0.00 0.05 0.00 0.00 55.36 56.58 1pma s GLN 36 Cb -0.10 -2.41 0.00 0.00 1.10 0.00 0.00 33.01 31.60 1pma s GLN 36 CO -0.01 0.04 0.05 1.51 -0.55 0.00 0.00 175.29 176.33 1pma n ILE 37 N -0.22 0.00 -3.61 -2.34 3.06 -0.06 -4.86 119.36 111.33 1pma n ILE 37 Ca 0.05 -0.25 -0.05 0.00 -2.50 0.00 0.00 62.75 60.00 1pma n ILE 37 Cb 0.52 1.10 -0.04 0.00 0.54 0.00 0.00 39.64 41.76 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 -0.40 -0.18 0.24 9.51 2.15 -1.02 -4.70 116.67 122.27 1pma s ASP 38 Ca 0.00 0.15 0.08 0.00 0.43 0.00 0.00 52.55 53.21 1pma s ASP 38 Cb 0.00 0.15 0.73 0.00 -0.30 0.00 0.00 42.92 43.50 1pma s ASP 38 CO 0.00 -0.20 1.10 0.35 -0.17 0.00 0.00 175.17 176.26 1pma n THR 39 N 0.43 -0.29 -1.83 1.71 -2.24 -1.26 -0.47 114.28 110.32 1pma n THR 39 Ca -0.04 1.49 -0.12 0.00 -2.27 0.00 0.00 64.05 63.11 1pma n THR 39 Cb 0.58 -2.28 0.10 0.00 -2.10 0.00 0.00 70.33 66.63 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 -4.78 1.63 -3.54 4.78 4.01 -1.26 -2.76 117.16 115.24 1pma n TYR 40 Ca 0.21 -1.93 -0.17 0.00 -0.16 0.00 0.00 57.90 55.85 1pma n TYR 40 Cb 0.71 -0.32 -0.06 0.00 -0.31 0.00 0.00 39.34 39.36 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 -4.03 0.00 0.34 -0.72 -1.32 0.38 -2.10 115.64 108.18 1pma s THR 41 Ca 0.46 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.97 1pma s THR 41 Cb 0.40 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 70.34 1pma s THR 41 CO -0.01 0.00 0.12 -0.83 -2.21 0.00 0.00 174.62 171.69 1pma s GLY 42 N -0.92 2.20 -0.05 6.08 0.00 -0.23 -0.88 107.32 113.51 1pma s GLY 42 Ca -0.09 -1.67 -0.14 0.00 0.00 0.00 0.00 44.72 42.82 1pma s GLY 42 CO 0.08 -1.72 0.32 -0.29 0.00 0.00 0.00 173.10 171.50 1pma s MET 43 N -3.83 0.59 -0.11 2.90 1.75 0.32 -2.22 119.30 118.71 1pma s MET 43 Ca 0.32 0.01 0.03 0.00 -1.25 0.00 0.00 55.69 54.80 1pma s MET 43 Cb 0.05 0.27 0.01 0.00 2.84 0.00 0.00 34.83 38.00 1pma s MET 43 CO 0.16 -0.14 -0.22 0.95 -0.65 0.00 0.00 175.02 175.11 1pma s THR 44 N -0.88 1.95 0.14 10.11 -4.23 0.13 -1.92 115.64 120.94 1pma s THR 44 Ca -0.10 -0.94 -0.09 0.00 -1.18 0.00 0.00 61.69 59.39 1pma s THR 44 Cb -0.04 -1.71 -0.06 0.00 1.34 0.00 0.00 72.50 72.02 1pma s THR 44 CO 0.03 0.53 0.45 -0.63 -0.54 0.00 0.00 174.62 174.46 1pma s ILE 45 N 0.60 5.04 -0.29 2.99 1.01 -0.96 -2.25 121.20 127.34 1pma s ILE 45 Ca -0.13 0.39 -0.14 0.00 0.00 0.00 0.00 60.65 60.77 1pma s ILE 45 Cb -0.17 -3.64 0.10 0.00 0.01 0.00 0.00 42.46 38.77 1pma s ILE 45 CO 0.04 0.13 0.72 0.00 0.00 0.00 0.00 174.94 175.83 1pma s ALA 46 N -1.57 -2.01 0.00 9.38 0.00 -1.11 -4.90 121.76 121.54 1pma s ALA 46 Ca 0.39 2.37 0.00 0.00 0.00 0.00 0.00 51.96 54.72 1pma s ALA 46 Cb -0.13 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.40 1pma s ALA 46 CO 0.21 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.82 1pma n GLY 47 N 4.60 0.33 3.65 0.00 0.00 -1.26 -0.04 105.19 112.47 1pma n GLY 47 Ca -0.17 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 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 4.09 0.16 0.99 2.96 -0.92 -4.94 118.68 121.02 1pma s LEU 48 Ca 0.00 1.57 -0.27 0.00 -0.22 0.00 0.00 54.13 55.21 1pma s LEU 48 Cb 0.00 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.16 1pma s LEU 48 CO 0.00 -0.87 1.56 -0.37 -1.32 0.00 0.00 176.35 175.35 1pma h VAL 49 N 5.65 0.07 -0.55 1.68 -1.51 -1.96 -1.20 116.25 118.44 1pma h VAL 49 Ca -0.27 0.00 0.06 0.00 -1.23 0.00 0.00 66.70 65.26 1pma h VAL 49 Cb 1.11 0.07 -0.09 0.00 -2.13 0.00 0.00 31.29 30.25 1pma h VAL 49 CO 0.99 0.00 -0.53 1.23 -1.23 0.00 0.00 177.57 178.03 1pma h GLY 50 N -0.26 -1.04 0.43 5.19 0.00 -1.97 0.01 103.07 105.43 1pma h GLY 50 Ca 0.16 0.76 0.05 0.00 0.00 0.00 0.00 47.33 48.30 1pma h GLY 50 CO -0.67 -0.12 -0.11 -0.55 0.00 0.00 0.00 176.54 175.09 1pma h ASP 51 N -0.26 -0.36 -0.28 0.19 3.32 -1.82 -2.49 116.42 114.72 1pma h ASP 51 Ca 0.09 0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.30 1pma h ASP 51 Cb 0.51 0.20 -0.07 0.00 0.22 0.00 0.00 39.33 40.19 1pma h ASP 51 CO -0.65 -0.14 -0.24 0.00 -1.72 0.00 0.00 179.24 176.48 1pma h ALA 52 N 1.11 -0.10 0.91 3.45 0.00 -0.36 -2.06 119.26 122.21 1pma h ALA 52 Ca 0.12 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1pma h ALA 52 Cb 0.26 0.52 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1pma h ALA 52 CO -0.28 -0.66 -0.44 1.96 0.00 0.00 0.00 179.25 179.84 1pma h GLN 53 N -0.23 -1.17 -0.88 0.00 4.20 -0.63 -1.73 115.11 114.65 1pma h GLN 53 Ca 0.15 0.08 0.17 0.00 0.06 0.00 0.00 58.65 59.11 1pma h GLN 53 Cb 0.46 0.27 -0.07 0.00 0.30 0.00 0.00 27.48 28.44 1pma h GLN 53 CO -0.41 -0.78 0.57 -0.24 -0.67 0.00 0.00 178.83 177.30 1pma h VAL 54 N -1.24 0.77 -0.45 -0.54 3.04 -1.38 0.81 116.25 117.25 1pma h VAL 54 Ca -0.12 -0.19 -0.02 0.00 -1.01 0.00 0.00 66.70 65.35 1pma h VAL 54 Cb 0.94 0.15 -0.02 0.00 -2.01 0.00 0.00 31.29 30.35 1pma h VAL 54 CO 0.20 0.10 0.22 0.25 -1.01 0.00 0.00 177.57 177.34 1pma h LEU 55 N 0.57 0.59 -0.50 3.16 5.85 -1.15 -0.95 115.31 122.87 1pma h LEU 55 Ca 0.45 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 1pma h LEU 55 Cb 0.90 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1pma h LEU 55 CO -0.20 0.55 0.28 1.62 -0.34 0.00 0.00 178.44 180.35 1pma h VAL 56 N 0.59 1.17 0.12 1.05 3.04 0.05 -0.16 116.25 122.10 1pma h VAL 56 Ca 0.16 -0.43 0.02 0.00 -1.01 0.00 0.00 66.70 65.44 1pma h VAL 56 Cb 0.11 0.54 -0.04 0.00 -2.01 0.00 0.00 31.29 29.89 1pma h VAL 56 CO -0.02 0.18 -0.30 0.03 -1.01 0.00 0.00 177.57 176.45 1pma h ARG 57 N 0.67 -0.49 0.26 4.17 3.08 -0.70 0.22 114.38 121.58 1pma h ARG 57 Ca 0.18 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1pma h ARG 57 Cb 0.04 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 1pma h ARG 57 CO -0.03 -0.33 -0.52 1.88 -1.07 0.00 0.00 179.97 179.91 1pma h TYR 58 N -0.51 -1.47 -0.82 3.04 -1.99 -0.96 -1.45 116.97 112.81 1pma h TYR 58 Ca 0.03 0.03 0.17 0.00 2.00 0.00 0.00 58.73 60.96 1pma h TYR 58 Cb 0.54 0.61 -0.15 0.00 2.00 0.00 0.00 36.73 39.73 1pma h TYR 58 CO -0.27 -0.62 -0.15 1.98 -0.00 0.00 0.00 178.16 179.10 1pma h MET 59 N -0.84 0.02 0.68 4.88 4.05 -0.44 0.11 114.93 123.39 1pma h MET 59 Ca -0.02 -0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.37 1pma h MET 59 Cb 0.80 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.59 1pma h MET 59 CO -0.21 0.01 -0.44 -0.22 0.23 0.00 0.00 176.91 176.28 1pma h LYS 60 N 0.02 -1.02 -0.46 0.39 3.64 0.10 -1.28 116.57 117.96 1pma h LYS 60 Ca 0.41 0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.88 1pma h LYS 60 Cb 0.67 0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 1pma h LYS 60 CO -0.82 -0.68 0.28 0.00 -2.27 0.00 0.00 179.45 175.96 1pma h ALA 61 N -1.23 0.58 -0.98 5.00 0.00 -0.24 -1.11 119.26 121.29 1pma h ALA 61 Ca -0.09 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.92 1pma h ALA 61 Cb 0.86 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 1pma h ALA 61 CO 0.08 -0.03 0.61 1.49 0.00 0.00 0.00 179.25 181.40 1pma h GLU 62 N 0.56 0.95 -0.28 0.00 4.57 -0.78 -0.02 114.58 119.58 1pma h GLU 62 Ca 0.18 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1pma h GLU 62 Cb -0.01 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.36 1pma h GLU 62 CO -0.07 0.63 -0.05 -0.07 -1.18 0.00 0.00 179.01 178.26 1pma h LEU 63 N 0.98 0.53 -0.65 1.64 4.07 -0.28 -2.45 115.31 119.16 1pma h LEU 63 Ca 0.48 -0.35 -0.09 0.00 0.08 0.00 0.00 57.88 57.99 1pma h LEU 63 Cb 0.45 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.02 1pma h LEU 63 CO -0.26 0.76 0.02 -0.08 -1.08 0.00 0.00 178.44 177.81 1pma h GLU 64 N 0.29 1.08 0.42 1.13 4.81 -0.41 -1.99 114.58 119.91 1pma h GLU 64 Ca 0.07 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 1pma h GLU 64 Cb 0.52 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1pma h GLU 64 CO 0.02 1.03 -0.22 1.25 -0.73 0.00 0.00 179.01 180.37 1pma h LEU 65 N 0.99 -0.54 -0.75 1.64 5.85 -1.03 -2.58 115.31 118.90 1pma h LEU 65 Ca 0.18 0.02 0.13 0.00 0.84 0.00 0.00 57.88 59.06 1pma h LEU 65 Cb 0.53 0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.62 1pma h LEU 65 CO 0.03 -0.37 0.31 0.22 -0.34 0.00 0.00 178.44 178.29 1pma h TYR 66 N -0.59 0.53 -0.72 1.25 5.03 -1.31 -0.65 116.97 120.50 1pma h TYR 66 Ca -0.05 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.33 1pma h TYR 66 Cb 0.47 -0.12 -0.05 0.00 1.55 0.00 0.00 36.73 38.58 1pma h TYR 66 CO -0.06 0.09 0.45 -0.09 -1.32 0.00 0.00 178.16 177.22 1pma h ARG 67 N 0.47 0.83 0.13 1.82 2.43 -1.18 0.13 114.38 119.01 1pma h ARG 67 Ca 0.40 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.52 1pma h ARG 67 Cb 0.59 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1pma h ARG 67 CO -0.38 0.55 -0.06 -0.07 -1.51 0.00 0.00 179.97 178.50 1pma h LEU 68 N 0.86 -0.14 -1.54 3.80 4.07 -0.77 0.11 115.31 121.70 1pma h LEU 68 Ca 0.30 -0.19 -0.04 0.00 0.08 0.00 0.00 57.88 58.03 1pma h LEU 68 Cb 0.06 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 1pma h LEU 68 CO -0.13 0.11 -0.16 1.56 -1.08 0.00 0.00 178.44 178.74 1pma h GLN 69 N -0.40 0.10 -0.01 1.13 4.20 -1.00 -3.09 115.11 116.04 1pma h GLN 69 Ca -0.02 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1pma h GLN 69 Cb 0.32 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1pma h GLN 69 CO 0.03 0.26 -0.22 0.54 -0.67 0.00 0.00 178.83 178.77 1pma n ARG 70 N -4.30 1.59 -1.38 1.46 1.74 0.45 -4.99 116.66 111.23 1pma n ARG 70 Ca -0.02 -0.97 -0.14 0.00 -0.77 0.00 0.00 57.85 55.95 1pma n ARG 70 Cb 0.25 -1.26 -0.06 0.00 -1.02 0.00 0.00 32.46 30.37 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 0.16 -1.53 -3.72 5.56 3.00 0.39 -4.90 116.66 115.63 1pma n ARG 71 Ca 0.07 0.92 -0.11 0.00 -0.00 0.00 0.00 57.85 58.73 1pma n ARG 71 Cb 0.34 -5.23 -0.06 0.00 0.00 0.00 0.00 32.46 27.51 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 -2.16 0.08 0.34 5.15 0.11 -1.21 -5.05 120.40 117.66 1pma s VAL 72 Ca 0.00 -0.69 -0.26 0.00 -2.93 0.00 0.00 61.98 58.11 1pma s VAL 72 Cb 0.00 -1.07 -0.10 0.00 -1.53 0.00 0.00 36.38 33.68 1pma s VAL 72 CO 0.00 -0.38 0.96 0.20 -3.33 0.00 0.00 175.10 172.55 1pma s ASN 73 N -2.38 7.23 0.18 3.54 -0.87 -1.26 -4.28 114.94 117.09 1pma s ASN 73 Ca -0.01 1.86 -0.30 0.00 -1.57 0.00 0.00 52.86 52.84 1pma s ASN 73 Cb 0.01 -2.58 -0.09 0.00 -0.02 0.00 0.00 41.25 38.57 1pma s ASN 73 CO -0.07 -0.15 1.36 -0.32 -2.57 0.00 0.00 177.10 175.35 1pma s MET 74 N -2.18 4.35 0.57 -0.60 -2.45 -1.26 -4.99 119.30 112.74 1pma s MET 74 Ca 0.52 2.09 -0.20 0.00 -1.25 0.00 0.00 55.69 56.85 1pma s MET 74 Cb -0.19 -3.20 -0.04 0.00 1.25 0.00 0.00 34.83 32.65 1pma s MET 74 CO 0.24 -0.34 1.24 -2.14 1.05 0.00 0.00 175.02 175.07 1pma s PRO 75 N 0.29 3.10 0.12 4.11 0.02 -1.26 -4.80 135.00 136.57 1pma s PRO 75 Ca 0.60 1.92 -0.22 0.00 0.02 0.00 0.00 61.00 63.32 1pma s PRO 75 Cb -0.37 -2.06 -0.07 0.00 0.02 0.00 0.00 34.50 32.02 1pma s PRO 75 CO 0.36 -1.13 1.71 0.82 -0.33 0.00 0.00 177.00 178.43 1pma h ILE 76 N 1.12 0.82 -0.35 2.83 1.08 -1.95 0.10 117.51 121.17 1pma h ILE 76 Ca -0.50 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.01 1pma h ILE 76 Cb 1.29 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 35.85 1pma h ILE 76 CO 0.56 0.00 0.24 -0.08 -0.69 0.00 0.00 178.15 178.18 1pma h GLU 77 N -0.05 0.30 0.52 2.37 4.81 -1.99 -0.85 114.58 119.69 1pma h GLU 77 Ca 0.06 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1pma h GLU 77 Cb 0.14 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.46 1pma h GLU 77 CO -0.14 0.20 -0.25 0.00 -0.73 0.00 0.00 179.01 178.09 1pma h ALA 78 N 1.80 -0.70 -0.79 2.92 0.00 -1.27 0.01 119.26 121.24 1pma h ALA 78 Ca 0.15 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1pma h ALA 78 Cb 0.21 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1pma h ALA 78 CO -0.03 -0.79 0.47 -0.24 0.00 0.00 0.00 179.25 178.65 1pma h VAL 79 N -0.90 0.99 -0.11 0.00 3.04 -0.09 0.51 116.25 119.69 1pma h VAL 79 Ca -0.07 -0.29 0.04 0.00 -1.01 0.00 0.00 66.70 65.37 1pma h VAL 79 Cb 0.61 0.08 -0.04 0.00 -2.01 0.00 0.00 31.29 29.92 1pma h VAL 79 CO 0.12 0.15 -0.12 0.00 -1.01 0.00 0.00 177.57 176.71 1pma h ALA 80 N 1.39 -0.05 -0.32 3.17 0.00 -1.06 0.49 119.26 122.88 1pma h ALA 80 Ca 0.35 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.36 1pma h ALA 80 Cb 0.21 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1pma h ALA 80 CO -0.19 -0.58 -0.01 1.15 0.00 0.00 0.00 179.25 179.62 1pma h THR 81 N -0.16 0.76 -0.02 0.00 2.02 0.34 0.60 112.91 116.45 1pma h THR 81 Ca 0.08 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.26 1pma h THR 81 Cb 0.28 0.67 -0.06 0.00 -1.74 0.00 0.00 68.15 67.30 1pma h THR 81 CO -0.20 0.02 -0.52 0.25 0.37 0.00 0.00 175.52 175.43 1pma h LEU 82 N 0.08 -1.62 -0.74 2.58 5.85 0.21 -0.03 115.31 121.65 1pma h LEU 82 Ca 0.15 0.18 0.14 0.00 0.84 0.00 0.00 57.88 59.20 1pma h LEU 82 Cb 0.21 0.62 -0.10 0.00 0.37 0.00 0.00 40.66 41.76 1pma h LEU 82 CO -0.26 -0.51 0.28 0.25 -0.34 0.00 0.00 178.44 177.85 1pma h LEU 83 N -0.65 0.24 -0.20 2.25 5.85 -0.45 -0.66 115.31 121.69 1pma h LEU 83 Ca 0.02 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1pma h LEU 83 Cb 0.71 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 1pma h LEU 83 CO -0.36 0.08 -0.12 -1.28 -0.34 0.00 0.00 178.44 176.42 1pma h SER 84 N 0.41 -0.38 -0.90 1.25 0.87 0.26 -0.86 113.55 114.20 1pma h SER 84 Ca 0.41 0.09 0.02 0.00 -1.23 0.00 0.00 61.79 61.08 1pma h SER 84 Cb 0.63 0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.74 1pma h SER 84 CO -0.41 -0.15 0.59 0.78 -0.53 0.00 0.00 176.83 177.10 1pma h ASN 85 N -0.11 0.99 0.63 6.23 4.21 0.41 -1.14 115.58 126.82 1pma h ASN 85 Ca 0.11 -0.02 -0.03 0.00 1.21 0.00 0.00 56.30 57.58 1pma h ASN 85 Cb 0.27 -0.23 0.01 0.00 -1.12 0.00 0.00 38.32 37.24 1pma h ASN 85 CO -0.26 0.70 -0.31 0.24 -1.29 0.00 0.00 177.43 176.50 1pma h MET 86 N 1.17 -0.83 -0.66 0.81 2.86 -0.35 -2.24 114.93 115.69 1pma h MET 86 Ca 0.35 0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 58.04 1pma h MET 86 Cb -0.06 0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 1pma h MET 86 CO -0.10 -0.55 0.39 -0.07 1.06 0.00 0.00 176.91 177.64 1pma h LEU 87 N -0.86 0.80 -0.78 1.22 4.07 -1.03 -2.90 115.31 115.83 1pma h LEU 87 Ca -0.09 -0.07 -0.12 0.00 0.08 0.00 0.00 57.88 57.68 1pma h LEU 87 Cb 0.66 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.19 1pma h LEU 87 CO 0.14 0.63 -0.38 -1.13 -1.08 0.00 0.00 178.44 176.62 1pma h ASN 88 N 0.90 0.49 0.00 -0.43 -0.73 -1.26 -2.96 115.58 111.58 1pma h ASN 88 Ca 0.24 -0.21 0.00 0.00 1.87 0.00 0.00 56.30 58.20 1pma h ASN 88 Cb -0.01 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.44 1pma h ASN 88 CO -0.04 0.83 0.02 1.67 -0.37 0.00 0.00 177.43 179.54 1pma n GLN 89 N -4.04 0.11 -1.21 6.67 7.27 -0.84 -1.92 117.38 123.42 1pma n GLN 89 Ca -0.01 0.61 0.04 0.00 0.07 0.00 0.00 57.00 57.71 1pma n GLN 89 Cb 0.49 -1.90 0.07 0.00 2.41 0.00 0.00 30.24 31.31 1pma n GLN 89 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 1pma n VAL 90 N -2.12 0.61 -0.04 1.69 3.14 -1.13 -4.89 118.33 115.59 1pma n VAL 90 Ca -0.01 -1.58 0.24 0.00 -2.96 0.00 0.00 64.34 60.02 1pma n VAL 90 Cb 0.05 0.64 0.72 0.00 -1.06 0.00 0.00 33.84 34.19 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 0.96 0.00 -0.00 1.45 2.10 -1.23 0.31 116.57 120.15 1pma h LYS 91 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 1pma h LYS 91 Cb 1.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.96 1pma h LYS 91 CO 0.07 0.00 -0.04 0.66 -2.00 0.00 0.00 179.45 178.14 1pma n TYR 92 N -4.02 0.00 -2.81 0.07 4.01 -1.26 -3.67 117.16 109.48 1pma n TYR 92 Ca 0.13 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.76 1pma n TYR 92 Cb 0.78 -0.16 0.07 0.00 -0.31 0.00 0.00 39.34 39.71 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 -1.02 1.05 -1.25 -0.72 2.81 -0.02 -5.15 117.12 112.82 1pma n MET 93 Ca 0.17 -2.28 -0.35 0.00 -1.81 0.00 0.00 57.70 53.43 1pma n MET 93 Cb 0.23 -1.02 0.11 0.00 -0.71 0.00 0.00 33.22 31.83 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 0.17 0.39 -2.86 0.03 -0.04 -0.51 -4.94 135.00 127.24 1pma n PRO 94 Ca 0.09 0.20 -0.43 0.00 -0.04 0.00 0.00 63.50 63.32 1pma n PRO 94 Cb 0.72 -2.39 -0.04 0.00 -0.04 0.00 0.00 33.50 31.75 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 -1.94 2.72 -0.77 0.54 2.02 -1.26 -4.93 117.35 113.72 1pma s TYR 95 Ca 0.75 -0.65 -0.26 0.00 -0.37 0.00 0.00 57.07 56.54 1pma s TYR 95 Cb -0.32 -4.31 -0.09 0.00 -0.40 0.00 0.00 41.96 36.85 1pma s TYR 95 CO 0.49 -1.64 2.23 -1.64 -1.57 0.00 0.00 175.55 173.42 1pma s MET 96 N 3.94 2.02 0.26 -0.62 -1.94 -1.26 -4.71 119.30 116.98 1pma s MET 96 Ca 0.24 0.40 -0.15 0.00 -1.71 0.00 0.00 55.69 54.47 1pma s MET 96 Cb -0.15 -4.81 0.00 0.00 2.01 0.00 0.00 34.83 31.88 1pma s MET 96 CO 0.07 -3.86 0.53 0.54 -0.01 0.00 0.00 175.02 172.30 1pma s VAL 97 N 12.67 0.00 -0.22 -6.03 0.11 -1.26 -2.17 120.40 123.49 1pma s VAL 97 Ca 0.85 -1.32 -0.04 0.00 -2.93 0.00 0.00 61.98 58.54 1pma s VAL 97 Cb -0.12 -2.16 0.09 0.00 -1.53 0.00 0.00 36.38 32.66 1pma s VAL 97 CO 0.09 0.00 0.19 -1.58 -3.33 0.00 0.00 175.10 170.47 1pma s GLN 98 N -3.98 0.18 0.07 1.54 0.74 0.95 -3.25 119.66 115.90 1pma s GLN 98 Ca 0.20 0.01 0.01 0.00 0.05 0.00 0.00 55.36 55.63 1pma s GLN 98 Cb -0.02 -1.26 -0.04 0.00 1.10 0.00 0.00 33.01 32.79 1pma s GLN 98 CO 0.09 -0.75 0.15 -0.51 -0.55 0.00 0.00 175.29 173.71 1pma s LEU 99 N 2.26 4.09 -0.15 3.68 1.43 -0.85 -2.74 118.68 126.41 1pma s LEU 99 Ca 0.06 0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1pma s LEU 99 Cb -0.16 -2.73 0.04 0.00 0.03 0.00 0.00 46.19 43.38 1pma s LEU 99 CO -0.17 0.17 -0.00 -0.22 0.23 0.00 0.00 176.35 176.36 1pma s LEU 100 N -2.44 1.13 -0.13 1.79 2.96 -0.95 -0.41 118.68 120.62 1pma s LEU 100 Ca 0.32 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 1pma s LEU 100 Cb -0.13 -0.64 0.01 0.00 0.50 0.00 0.00 46.19 45.93 1pma s LEU 100 CO 0.25 -0.23 -0.22 0.54 -1.32 0.00 0.00 176.35 175.37 1pma s VAL 101 N 1.83 2.00 0.13 1.68 0.11 -0.43 0.20 120.40 125.91 1pma s VAL 101 Ca 0.01 -0.95 0.04 0.00 -2.93 0.00 0.00 61.98 58.15 1pma s VAL 101 Cb -0.15 -1.76 -0.04 0.00 -1.53 0.00 0.00 36.38 32.90 1pma s VAL 101 CO -0.07 0.54 -0.09 -0.83 -3.33 0.00 0.00 175.10 171.32 1pma s GLY 102 N 0.70 0.97 -0.01 6.54 0.00 -0.94 0.18 107.32 114.76 1pma s GLY 102 Ca -0.10 -1.42 -0.02 0.00 0.00 0.00 0.00 44.72 43.17 1pma s GLY 102 CO 0.01 -1.52 0.11 0.61 0.00 0.00 0.00 173.10 172.32 1pma n GLY 103 N -0.06 0.47 2.77 0.20 0.00 -0.17 -1.07 105.19 107.33 1pma n GLY 103 Ca -0.11 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.07 -0.26 0.00 -0.61 2.07 -0.89 -0.58 121.20 118.86 1pma s ILE 104 Ca 0.03 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.36 1pma s ILE 104 Cb -0.00 -0.49 0.00 0.00 0.13 0.00 0.00 42.46 42.10 1pma s ILE 104 CO -0.00 -0.06 0.00 -0.90 -1.91 0.00 0.00 174.94 172.07 1pma n ASP 105 N 5.32 0.00 0.08 4.50 5.68 -1.26 -4.85 116.55 126.02 1pma n ASP 105 Ca -0.05 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.36 1pma n ASP 105 Cb 0.50 0.00 0.46 0.00 -1.14 0.00 0.00 41.12 40.93 1pma n ASP 105 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1pma n THR 106 N 0.00 0.56 -3.64 2.12 5.66 -1.26 -4.87 114.28 112.85 1pma n THR 106 Ca 0.00 -0.10 -0.07 0.00 -3.05 0.00 0.00 64.05 60.83 1pma n THR 106 Cb 0.00 -0.71 -0.02 0.00 -1.55 0.00 0.00 70.33 68.05 1pma n THR 106 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pma s ALA 107 N -3.12 -1.65 0.72 1.79 0.00 -1.26 -5.16 121.76 113.08 1pma s ALA 107 Ca 0.10 0.41 -0.13 0.00 0.00 0.00 0.00 51.96 52.34 1pma s ALA 107 Cb 0.13 0.63 0.03 0.00 0.00 0.00 0.00 23.12 23.91 1pma s ALA 107 CO 0.52 -0.89 1.10 -2.14 0.00 0.00 0.00 175.76 174.36 1pma s PRO 108 N -3.38 2.51 -0.00 0.00 0.02 -1.26 -4.38 135.00 128.50 1pma s PRO 108 Ca 0.08 1.28 -0.25 0.00 0.02 0.00 0.00 61.00 62.13 1pma s PRO 108 Cb -0.02 -1.92 0.06 0.00 0.02 0.00 0.00 34.50 32.64 1pma s PRO 108 CO -0.03 -1.46 0.57 -1.01 -0.33 0.00 0.00 177.00 174.74 1pma s HIS 109 N -2.62 -0.50 -0.22 6.54 3.76 0.25 -4.93 115.29 117.57 1pma s HIS 109 Ca 0.64 0.74 -0.05 0.00 -0.15 0.00 0.00 55.06 56.24 1pma s HIS 109 Cb -0.19 0.35 0.11 0.00 1.11 0.00 0.00 32.58 33.96 1pma s HIS 109 CO 0.49 -0.60 0.40 0.54 -0.85 0.00 0.00 174.74 174.72 1pma s VAL 110 N -1.75 -0.63 -0.09 -0.90 0.11 -1.26 -1.00 120.40 114.88 1pma s VAL 110 Ca -0.09 0.07 0.02 0.00 -2.93 0.00 0.00 61.98 59.05 1pma s VAL 110 Cb -0.01 -0.73 -0.02 0.00 -1.53 0.00 0.00 36.38 34.09 1pma s VAL 110 CO 0.04 -0.01 -0.15 -0.36 -3.33 0.00 0.00 175.10 171.29 1pma s PHE 111 N 2.58 2.72 -0.16 1.54 0.40 0.13 -2.57 117.98 122.62 1pma s PHE 111 Ca 0.05 -0.50 -0.15 0.00 -0.60 0.00 0.00 56.93 55.73 1pma s PHE 111 Cb -0.14 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.61 1pma s PHE 111 CO -0.14 -0.08 0.34 0.45 0.70 0.00 0.00 175.22 176.48 1pma s SER 112 N -0.09 6.47 -0.04 1.36 0.15 -0.29 -1.31 113.70 119.95 1pma s SER 112 Ca -0.03 0.55 0.04 0.00 0.70 0.00 0.00 55.95 57.22 1pma s SER 112 Cb -0.14 -2.20 -0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1pma s SER 112 CO 0.04 0.06 -0.18 -0.63 1.20 0.00 0.00 173.24 173.73 1pma s ILE 113 N 0.63 1.47 0.29 6.45 -1.09 0.45 -1.50 121.20 127.91 1pma s ILE 113 Ca 0.18 -0.74 0.08 0.00 -2.23 0.00 0.00 60.65 57.94 1pma s ILE 113 Cb -0.14 -1.26 -0.04 0.00 -1.58 0.00 0.00 42.46 39.45 1pma s ILE 113 CO 0.05 0.42 0.17 1.51 -1.23 0.00 0.00 174.94 175.87 1pma s ASP 114 N 0.04 5.09 0.63 3.58 1.47 -0.44 -2.01 116.67 125.03 1pma s ASP 114 Ca -0.04 -0.50 0.22 0.00 1.18 0.00 0.00 52.55 53.41 1pma s ASP 114 Cb -0.12 -1.04 1.22 0.00 -0.34 0.00 0.00 42.92 42.64 1pma s ASP 114 CO 0.02 -0.16 1.67 0.00 0.68 0.00 0.00 175.17 177.38 1pma h ALA 115 N 1.52 1.45 -0.60 2.11 0.00 -1.83 0.26 119.26 122.17 1pma h ALA 115 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1pma h ALA 115 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1pma h ALA 115 CO 0.61 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.40 1pma n ALA 116 N -1.78 2.93 -1.00 0.00 0.00 -1.26 -4.47 120.51 114.93 1pma n ALA 116 Ca -0.01 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.06 1pma n ALA 116 Cb 0.50 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 1.15 0.74 3.65 0.00 0.00 0.91 -4.10 105.19 107.54 1pma n GLY 117 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 1.52 -0.09 -0.02 0.00 -1.24 -4.66 107.32 100.83 1pma s GLY 118 Ca 0.00 0.68 0.04 0.00 0.00 0.00 0.00 44.72 45.45 1pma s GLY 118 CO 0.00 2.83 -0.24 -0.45 0.00 0.00 0.00 173.10 175.24 1pma s SER 119 N 2.98 3.09 -0.11 1.64 0.15 -1.26 -1.33 113.70 118.86 1pma s SER 119 Ca 0.66 -0.55 -0.09 0.00 0.70 0.00 0.00 55.95 56.67 1pma s SER 119 Cb -0.28 -1.28 0.03 0.00 -1.71 0.00 0.00 66.02 62.78 1pma s SER 119 CO 0.24 0.18 0.28 0.54 1.20 0.00 0.00 173.24 175.68 1pma s VAL 120 N 0.23 -0.01 -0.09 4.45 0.11 -0.56 -4.98 120.40 119.54 1pma s VAL 120 Ca -0.16 0.03 -0.14 0.00 -2.93 0.00 0.00 61.98 58.78 1pma s VAL 120 Cb -0.17 -0.40 -0.05 0.00 -1.53 0.00 0.00 36.38 34.23 1pma s VAL 120 CO 0.08 0.01 0.35 -0.70 -3.33 0.00 0.00 175.10 171.51 1pma s GLU 121 N 0.38 4.07 0.32 1.54 2.12 -1.26 -1.14 118.70 124.74 1pma s GLU 121 Ca -0.02 0.25 0.04 0.00 0.36 0.00 0.00 54.97 55.60 1pma s GLU 121 Cb -0.04 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 31.01 1pma s GLU 121 CO -0.02 0.44 0.15 -3.47 -0.54 0.00 0.00 175.26 171.83 1pma n ASP 122 N 2.81 0.67 0.11 -1.70 2.03 -1.06 -5.02 116.55 114.38 1pma n ASP 122 Ca -0.13 -2.82 0.12 0.00 0.52 0.00 0.00 54.79 52.48 1pma n ASP 122 Cb 0.52 1.02 0.04 0.00 -0.72 0.00 0.00 41.12 41.98 1pma n ASP 122 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1pma h ILE 123 N 1.66 0.00 -2.05 5.18 -2.65 -1.95 -3.39 117.51 114.31 1pma h ILE 123 Ca -0.25 -0.93 0.12 0.00 1.03 0.00 0.00 64.86 64.83 1pma h ILE 123 Cb 1.01 1.49 -0.17 0.00 -2.05 0.00 0.00 36.82 37.10 1pma h ILE 123 CO 0.38 0.00 0.54 -0.72 0.03 0.00 0.00 178.15 178.38 1pma s TYR 124 N -3.32 -0.32 -0.25 0.16 1.13 -1.26 0.14 117.35 113.62 1pma s TYR 124 Ca 0.01 0.27 -0.26 0.00 -1.41 0.00 0.00 57.07 55.68 1pma s TYR 124 Cb 0.10 0.52 0.13 0.00 -1.10 0.00 0.00 41.96 41.61 1pma s TYR 124 CO 0.77 -0.47 1.08 0.00 -2.51 0.00 0.00 175.55 174.42 1pma s ALA 125 N -2.67 -2.00 0.39 9.51 0.00 -0.70 -5.01 121.76 121.29 1pma s ALA 125 Ca 0.04 1.78 0.08 0.00 0.00 0.00 0.00 51.96 53.86 1pma s ALA 125 Cb -0.01 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 1pma s ALA 125 CO -0.06 -0.24 0.26 0.45 0.00 0.00 0.00 175.76 176.17 1pma s SER 126 N -0.15 4.78 -0.01 0.00 0.15 -1.26 -1.98 113.70 115.23 1pma s SER 126 Ca 0.03 -0.85 -0.19 0.00 0.70 0.00 0.00 55.95 55.63 1pma s SER 126 Cb -0.04 -0.60 0.04 0.00 -1.71 0.00 0.00 66.02 63.71 1pma s SER 126 CO -0.05 -0.53 0.42 0.28 1.20 0.00 0.00 173.24 174.56 1pma s THR 127 N -2.50 0.04 0.00 6.45 -1.32 0.37 -4.96 115.64 113.72 1pma s THR 127 Ca 0.43 -0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 1pma s THR 127 Cb -0.01 -0.80 0.00 0.00 -1.51 0.00 0.00 72.50 70.18 1pma s THR 127 CO 0.25 -0.20 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 1pma n GLY 128 N 0.98 -2.81 0.35 6.08 0.00 -1.26 -0.42 105.19 108.10 1pma n GLY 128 Ca -0.20 -2.11 0.09 0.00 0.00 0.00 0.00 46.02 43.79 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 0.85 -0.44 1.61 0.87 0.68 -2.26 113.55 114.86 1pma h SER 129 Ca 0.00 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1pma h SER 129 Cb 0.00 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1pma h SER 129 CO 0.00 0.41 0.00 0.61 -0.53 0.00 0.00 176.83 177.32 1pma n GLY 130 N -1.34 1.34 0.30 5.77 0.00 -1.02 -4.65 105.19 105.59 1pma n GLY 130 Ca 0.20 -0.50 -0.05 0.00 0.00 0.00 0.00 46.02 45.67 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 2.62 -0.93 -0.74 1.61 0.02 -1.63 -2.87 113.55 111.64 1pma h SER 131 Ca 0.00 0.20 0.16 0.00 -0.84 0.00 0.00 61.79 61.31 1pma h SER 131 Cb 0.74 0.48 -0.11 0.00 0.14 0.00 0.00 62.40 63.64 1pma h SER 131 CO 0.05 -0.28 0.14 -0.65 -1.14 0.00 0.00 176.83 174.95 1pma h PRO 132 N -0.15 0.22 -0.21 3.45 0.11 -1.85 0.33 132.00 133.89 1pma h PRO 132 Ca 0.23 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.30 1pma h PRO 132 Cb 0.51 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 1pma h PRO 132 CO -0.60 0.14 0.05 0.74 -0.21 0.00 0.00 178.00 178.13 1pma h PHE 133 N 0.22 0.35 -0.38 0.65 0.04 -1.88 -1.71 116.94 114.24 1pma h PHE 133 Ca 0.42 -0.04 -0.04 0.00 2.80 0.00 0.00 57.97 61.10 1pma h PHE 133 Cb 0.72 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.76 1pma h PHE 133 CO -0.30 0.45 0.07 -0.24 -0.60 0.00 0.00 178.31 177.69 1pma h VAL 134 N 0.16 1.24 -0.70 -0.55 3.04 -1.18 -1.71 116.25 116.54 1pma h VAL 134 Ca 0.07 -0.83 0.20 0.00 -1.01 0.00 0.00 66.70 65.13 1pma h VAL 134 Cb 0.27 1.05 -0.03 0.00 -2.01 0.00 0.00 31.29 30.57 1pma h VAL 134 CO 0.00 0.28 0.51 1.88 -1.01 0.00 0.00 177.57 179.23 1pma h TYR 135 N 0.47 0.00 0.34 3.17 0.05 -0.28 0.51 116.97 121.24 1pma h TYR 135 Ca 0.12 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.88 1pma h TYR 135 Cb 0.35 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.09 1pma h TYR 135 CO 0.02 0.00 -0.16 0.78 -1.05 0.00 0.00 178.16 177.75 1pma h GLY 136 N 0.00 -0.47 1.50 3.88 0.00 -0.39 -1.40 103.07 106.19 1pma h GLY 136 Ca 0.33 0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.88 1pma h GLY 136 CO -0.00 -0.17 0.23 -0.39 0.00 0.00 0.00 176.54 176.21 1pma h VAL 137 N -0.67 0.97 0.02 4.60 -1.51 -1.01 -1.25 116.25 117.40 1pma h VAL 137 Ca -0.05 -0.09 -0.00 0.00 -1.23 0.00 0.00 66.70 65.33 1pma h VAL 137 Cb 0.35 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 30.18 1pma h VAL 137 CO 0.08 0.05 -0.01 -0.07 -1.23 0.00 0.00 177.57 176.39 1pma h LEU 138 N 0.27 -0.02 -2.53 4.19 4.07 -0.96 0.23 115.31 120.56 1pma h LEU 138 Ca 0.15 -0.33 0.01 0.00 0.08 0.00 0.00 57.88 57.79 1pma h LEU 138 Cb 0.24 0.01 -0.00 0.00 1.08 0.00 0.00 40.66 41.99 1pma h LEU 138 CO -0.03 0.32 0.08 -0.08 -1.08 0.00 0.00 178.44 177.65 1pma h GLU 139 N -0.36 0.00 0.09 1.13 4.57 -0.16 0.15 114.58 120.00 1pma h GLU 139 Ca -0.00 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.85 1pma h GLU 139 Cb 0.35 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 1pma h GLU 139 CO 0.00 0.00 -1.81 0.45 -1.18 0.00 0.00 179.01 176.48 1pma n SER 140 N -3.50 2.05 -0.17 1.04 2.88 -0.59 -4.71 113.62 110.63 1pma n SER 140 Ca -0.02 0.27 0.03 0.00 -1.33 0.00 0.00 58.87 57.82 1pma n SER 140 Cb 0.17 -0.89 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 1pma n SER 140 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pma n GLN 141 N -3.75 1.89 -2.58 -1.46 6.02 0.77 -5.03 117.38 113.24 1pma n GLN 141 Ca -0.32 -0.56 -0.40 0.00 -0.01 0.00 0.00 57.00 55.71 1pma n GLN 141 Cb 0.95 -1.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.16 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 -0.94 3.71 -0.10 1.08 5.04 0.50 -5.03 117.35 121.61 1pma s TYR 142 Ca 0.06 1.74 -0.04 0.00 -2.44 0.00 0.00 57.07 56.39 1pma s TYR 142 Cb 0.05 -3.18 0.05 0.00 0.35 0.00 0.00 41.96 39.23 1pma s TYR 142 CO 0.15 -0.24 0.21 0.45 -1.34 0.00 0.00 175.55 174.78 1pma s SER 143 N -0.73 0.15 0.00 4.32 0.15 -1.26 -4.97 113.70 111.36 1pma s SER 143 Ca 0.45 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.54 1pma s SER 143 Cb -0.29 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1pma s SER 143 CO 0.36 -0.20 0.90 -1.84 1.20 0.00 0.00 173.24 173.66 1pma n GLU 144 N 4.74 0.00 -0.52 5.44 -0.00 -1.26 -1.26 120.64 127.78 1pma n GLU 144 Ca -0.16 0.40 0.07 0.00 -0.00 0.00 0.00 57.16 57.47 1pma n GLU 144 Cb 0.51 -1.53 0.28 0.00 -0.00 0.00 0.00 31.44 30.70 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 -1.40 3.28 -2.22 3.44 5.02 -1.26 -4.18 118.16 120.83 1pma n LYS 145 Ca 0.00 -2.23 -0.29 0.00 -2.02 0.00 0.00 58.31 53.78 1pma n LYS 145 Cb 0.03 -1.82 0.01 0.00 -0.02 0.00 0.00 35.03 33.24 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 -1.90 3.38 0.48 1.97 -1.94 -0.39 -5.08 119.30 115.82 1pma s MET 146 Ca 0.40 0.40 0.03 0.00 -1.71 0.00 0.00 55.69 54.80 1pma s MET 146 Cb 0.27 -2.21 0.02 0.00 2.01 0.00 0.00 34.83 34.92 1pma s MET 146 CO 0.17 -0.52 0.69 0.95 -0.01 0.00 0.00 175.02 176.30 1pma s THR 147 N -3.02 3.17 0.54 2.05 -4.23 -1.26 -4.73 115.64 108.16 1pma s THR 147 Ca 0.53 -0.71 0.22 0.00 -1.18 0.00 0.00 61.69 60.54 1pma s THR 147 Cb -0.11 -3.15 0.30 0.00 1.34 0.00 0.00 72.50 70.88 1pma s THR 147 CO 0.49 -0.10 2.18 1.62 -0.54 0.00 0.00 174.62 178.27 1pma h VAL 148 N 0.32 0.81 0.05 2.29 3.04 -1.98 -0.89 116.25 119.89 1pma h VAL 148 Ca -0.43 -0.07 -0.16 0.00 -1.01 0.00 0.00 66.70 65.04 1pma h VAL 148 Cb 1.28 1.04 0.02 0.00 -2.01 0.00 0.00 31.29 31.61 1pma h VAL 148 CO 0.52 0.02 -0.64 -0.78 -1.01 0.00 0.00 177.57 175.68 1pma h ASP 149 N 0.00 0.47 -0.63 3.17 1.82 -2.00 -2.32 116.42 116.94 1pma h ASP 149 Ca -0.00 -0.84 -0.01 0.00 -0.39 0.00 0.00 57.03 55.79 1pma h ASP 149 Cb 0.04 -0.15 -0.03 0.00 0.68 0.00 0.00 39.33 39.87 1pma h ASP 149 CO 0.00 1.26 0.36 -0.33 -1.61 0.00 0.00 179.24 178.92 1pma h GLU 150 N -0.25 0.86 0.25 0.28 5.08 -1.84 -3.01 114.58 115.94 1pma h GLU 150 Ca -0.09 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1pma h GLU 150 Cb 1.41 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 1pma h GLU 150 CO 0.12 0.64 -0.44 0.78 -1.00 0.00 0.00 179.01 179.11 1pma h GLY 151 N 0.85 -0.97 -0.18 -3.84 0.00 -1.18 -0.56 103.07 97.19 1pma h GLY 151 Ca 0.22 0.52 0.27 0.00 0.00 0.00 0.00 47.33 48.34 1pma h GLY 151 CO -0.04 -0.30 0.67 -0.24 0.00 0.00 0.00 176.54 176.63 1pma h VAL 152 N -0.76 0.51 0.07 4.60 3.04 -1.34 0.18 116.25 122.56 1pma h VAL 152 Ca -0.01 -0.14 -0.00 0.00 -1.01 0.00 0.00 66.70 65.54 1pma h VAL 152 Cb 0.73 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.09 1pma h VAL 152 CO -0.18 0.07 -0.04 0.44 -1.01 0.00 0.00 177.57 176.86 1pma h ASP 153 N 0.40 -0.08 -0.61 3.17 5.19 -1.25 -2.08 116.42 121.15 1pma h ASP 153 Ca 0.61 -0.44 0.12 0.00 -0.62 0.00 0.00 57.03 56.69 1pma h ASP 153 Cb 1.52 0.02 -0.12 0.00 0.18 0.00 0.00 39.33 40.93 1pma h ASP 153 CO -0.32 0.43 -0.23 0.25 -3.12 0.00 0.00 179.24 176.25 1pma h LEU 154 N -0.63 -0.82 -0.45 1.55 5.85 0.81 0.33 115.31 121.96 1pma h LEU 154 Ca -0.01 0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.96 1pma h LEU 154 Cb 0.52 0.47 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 1pma h LEU 154 CO 0.02 -0.26 0.20 0.58 -0.34 0.00 0.00 178.44 178.64 1pma h VAL 155 N -0.08 0.92 -0.33 1.05 2.07 -0.85 0.75 116.25 119.78 1pma h VAL 155 Ca 0.28 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.69 1pma h VAL 155 Cb 0.51 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1pma h VAL 155 CO -0.66 0.07 0.14 0.40 0.02 0.00 0.00 177.57 177.54 1pma h ILE 156 N 0.39 0.95 0.61 4.57 2.04 0.21 -1.66 117.51 124.63 1pma h ILE 156 Ca 0.20 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 1pma h ILE 156 Cb 0.15 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1pma h ILE 156 CO -0.17 0.06 -0.39 0.03 0.00 0.00 0.00 178.15 177.68 1pma h ARG 157 N 0.30 -0.91 -0.59 2.37 3.08 0.27 -0.22 114.38 118.67 1pma h ARG 157 Ca 0.14 0.06 0.09 0.00 0.07 0.00 0.00 59.98 60.34 1pma h ARG 157 Cb 0.08 0.21 -0.11 0.00 0.08 0.00 0.00 29.97 30.24 1pma h ARG 157 CO -0.12 -0.61 -0.46 0.00 -1.07 0.00 0.00 179.97 177.71 1pma h ALA 158 N -0.66 -0.37 -0.88 0.04 0.00 -0.68 0.18 119.26 116.88 1pma h ALA 158 Ca -0.07 0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1pma h ALA 158 Cb 0.78 1.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.51 1pma h ALA 158 CO 0.07 -0.85 0.56 0.82 0.00 0.00 0.00 179.25 179.85 1pma h ILE 159 N -0.23 1.13 -0.69 0.00 2.04 -1.18 -0.90 117.51 117.69 1pma h ILE 159 Ca 0.17 -0.37 0.04 0.00 1.00 0.00 0.00 64.86 65.70 1pma h ILE 159 Cb 0.56 -0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.54 1pma h ILE 159 CO -0.70 0.20 0.42 0.28 0.00 0.00 0.00 178.15 178.34 1pma h SER 160 N 1.09 0.66 0.09 1.72 0.02 0.11 -0.23 113.55 117.01 1pma h SER 160 Ca 0.35 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.33 1pma h SER 160 Cb 0.02 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1pma h SER 160 CO -0.12 0.44 -0.14 0.00 -1.14 0.00 0.00 176.83 175.87 1pma h ALA 161 N 1.32 -0.24 -0.87 3.77 0.00 0.51 -1.24 119.26 122.51 1pma h ALA 161 Ca 0.29 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.31 1pma h ALA 161 Cb 0.09 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1pma h ALA 161 CO -0.14 -0.66 0.57 0.00 0.00 0.00 0.00 179.25 179.02 1pma h ALA 162 N 0.59 1.81 -0.03 0.00 0.00 -0.69 0.27 119.26 121.20 1pma h ALA 162 Ca 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1pma h ALA 162 Cb 0.29 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1pma h ALA 162 CO -0.07 -0.03 -0.09 0.87 0.00 0.00 0.00 179.25 179.93 1pma h LYS 163 N 0.71 0.05 -0.10 0.00 1.57 0.15 -0.92 116.57 118.03 1pma h LYS 163 Ca 0.43 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 59.14 1pma h LYS 163 Cb 0.65 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1pma h LYS 163 CO -0.19 0.14 -0.21 1.96 -0.57 0.00 0.00 179.45 180.58 1pma h GLN 164 N 0.05 0.31 -0.29 3.15 1.08 -0.07 -3.33 115.11 116.01 1pma h GLN 164 Ca 0.01 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 1pma h GLN 164 Cb 0.19 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1pma h GLN 164 CO 0.01 0.80 0.00 0.54 -0.95 0.00 0.00 178.83 179.24 1pma n ARG 165 N -4.52 2.19 -3.70 1.46 3.00 -1.09 -4.82 116.66 109.18 1pma n ARG 165 Ca -0.07 -1.79 -0.28 0.00 -0.01 0.00 0.00 57.85 55.70 1pma n ARG 165 Cb 0.42 -1.46 -0.16 0.00 0.00 0.00 0.00 32.46 31.25 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 -1.53 2.99 0.56 0.55 2.15 -0.37 -4.99 116.67 116.02 1pma s ASP 166 Ca 0.36 -0.91 0.37 0.00 0.43 0.00 0.00 52.55 52.79 1pma s ASP 166 Cb 0.20 -0.54 1.81 0.00 -0.30 0.00 0.00 42.92 44.09 1pma s ASP 166 CO 0.29 -0.34 2.11 0.77 -0.17 0.00 0.00 175.17 177.84 1pma h SER 167 N 8.27 0.00 0.78 -0.34 4.64 -1.86 -1.64 113.55 123.40 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 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1pma h SER 167 CO 0.35 0.00 -0.14 0.00 -0.87 0.00 0.00 176.83 176.17 1pma n ALA 168 N -2.03 2.70 -2.56 5.18 0.00 -1.26 -4.84 120.51 117.70 1pma n ALA 168 Ca -0.01 -0.18 -0.29 0.00 0.00 0.00 0.00 53.44 52.95 1pma n ALA 168 Cb 0.16 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.92 4.27 0.00 0.00 0.01 -0.62 -0.64 113.70 113.80 1pma s SER 169 Ca 0.16 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1pma s SER 169 Cb 0.19 -0.76 0.00 0.00 0.21 0.00 0.00 66.02 65.66 1pma s SER 169 CO 0.56 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.99 1pma n GLY 170 N 0.60 -1.75 5.39 3.44 0.00 -1.26 -4.79 105.19 106.82 1pma n GLY 170 Ca -0.13 -1.11 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 -0.31 -1.98 3.73 -0.02 0.00 -1.26 -1.84 105.19 103.51 1pma n GLY 171 Ca 0.00 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 1pma n GLY 171 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pma s MET 172 N 0.00 4.21 -0.13 1.61 -2.45 -1.26 -4.69 119.30 116.58 1pma s MET 172 Ca 0.00 2.40 -0.16 0.00 -1.25 0.00 0.00 55.69 56.67 1pma s MET 172 Cb 0.00 -3.12 -0.04 0.00 1.25 0.00 0.00 34.83 32.91 1pma s MET 172 CO 0.00 -0.58 0.41 -1.50 1.05 0.00 0.00 175.02 174.39 1pma s ILE 173 N 0.77 5.23 0.04 10.11 -1.16 -1.26 -3.55 121.20 131.38 1pma s ILE 173 Ca 0.67 0.80 0.07 0.00 -0.51 0.00 0.00 60.65 61.69 1pma s ILE 173 Cb -0.44 -3.75 -0.02 0.00 0.61 0.00 0.00 42.46 38.85 1pma s ILE 173 CO 0.36 0.36 -0.20 1.51 -2.81 0.00 0.00 174.94 174.16 1pma s ASP 174 N 0.51 2.37 0.11 4.50 1.47 0.03 -4.89 116.67 120.77 1pma s ASP 174 Ca 0.22 -0.51 0.06 0.00 1.18 0.00 0.00 52.55 53.51 1pma s ASP 174 Cb -0.14 -0.20 -0.04 0.00 -0.34 0.00 0.00 42.92 42.21 1pma s ASP 174 CO 0.08 0.15 -0.15 0.54 0.68 0.00 0.00 175.17 176.47 1pma s VAL 175 N -0.79 1.33 -0.03 2.11 0.11 -1.26 -1.94 120.40 119.92 1pma s VAL 175 Ca 0.07 -1.61 0.02 0.00 -2.93 0.00 0.00 61.98 57.52 1pma s VAL 175 Cb -0.09 -1.44 0.01 0.00 -1.53 0.00 0.00 36.38 33.34 1pma s VAL 175 CO 0.02 -0.33 -0.06 0.00 -3.33 0.00 0.00 175.10 171.39 1pma s ALA 176 N -1.84 0.74 -0.11 1.54 0.00 -0.41 -1.16 121.76 120.51 1pma s ALA 176 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1pma s ALA 176 Cb -0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 1pma s ALA 176 CO 0.03 0.06 -0.12 0.54 0.00 0.00 0.00 175.76 176.28 1pma s VAL 177 N 0.54 3.20 -0.11 0.00 0.11 0.72 -1.41 120.40 123.46 1pma s VAL 177 Ca -0.08 -0.63 0.03 0.00 -2.93 0.00 0.00 61.98 58.38 1pma s VAL 177 Cb -0.11 -2.33 0.00 0.00 -1.53 0.00 0.00 36.38 32.41 1pma s VAL 177 CO 0.01 0.54 -0.22 -0.51 -3.33 0.00 0.00 175.10 171.59 1pma s ILE 178 N 0.02 1.93 0.05 7.04 2.07 0.23 -1.69 121.20 130.86 1pma s ILE 178 Ca -0.04 -0.93 -0.00 0.00 -1.41 0.00 0.00 60.65 58.27 1pma s ILE 178 Cb -0.14 -1.69 -0.04 0.00 0.13 0.00 0.00 42.46 40.72 1pma s ILE 178 CO 0.04 0.53 -0.04 0.28 -1.91 0.00 0.00 174.94 173.84 1pma s THR 179 N 0.54 0.25 0.15 4.00 -1.32 -0.80 -1.71 115.64 116.76 1pma s THR 179 Ca -0.15 -1.60 -0.15 0.00 -1.21 0.00 0.00 61.69 58.59 1pma s THR 179 Cb -0.17 -1.23 0.03 0.00 -1.51 0.00 0.00 72.50 69.62 1pma s THR 179 CO 0.05 -0.86 1.72 -0.09 -2.21 0.00 0.00 174.62 173.24 1pma h ARG 180 N 3.51 0.68 0.10 7.08 9.65 -1.85 1.21 114.38 134.76 1pma h ARG 180 Ca -0.34 -0.11 0.02 0.00 -1.10 0.00 0.00 59.98 58.46 1pma h ARG 180 Cb 1.16 -0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 29.57 1pma h ARG 180 CO 0.59 0.58 -0.47 -0.22 2.80 0.00 0.00 179.97 183.26 1pma h LYS 181 N 0.61 -0.67 0.00 0.20 1.63 -1.97 -3.22 116.57 113.16 1pma h LYS 181 Ca 0.16 0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.99 1pma h LYS 181 Cb 0.14 0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1pma h LYS 181 CO -0.02 -0.45 -1.83 -0.25 -3.45 0.00 0.00 179.45 173.46 1pma n ASP 182 N -5.48 0.17 0.00 4.20 8.00 -1.22 -5.09 116.55 117.13 1pma n ASP 182 Ca -0.08 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1pma n ASP 182 Cb 0.40 1.66 0.00 0.00 -0.02 0.00 0.00 41.12 43.15 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 1.27 -1.01 3.62 0.44 0.00 0.42 -4.81 105.19 105.12 1pma n GLY 183 Ca -0.04 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 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 3.06 -0.07 1.61 6.14 -1.11 -1.91 117.35 125.07 1pma s TYR 184 Ca 0.00 0.96 0.03 0.00 0.64 0.00 0.00 57.07 58.69 1pma s TYR 184 Cb 0.00 -3.83 0.01 0.00 0.42 0.00 0.00 41.96 38.56 1pma s TYR 184 CO 0.00 -0.89 -0.14 0.54 0.64 0.00 0.00 175.55 175.71 1pma s VAL 185 N 3.75 1.24 -0.28 3.14 0.11 -0.68 -5.02 120.40 122.67 1pma s VAL 185 Ca 0.43 -0.54 -0.11 0.00 -2.93 0.00 0.00 61.98 58.83 1pma s VAL 185 Cb -0.11 -1.12 -0.05 0.00 -1.53 0.00 0.00 36.38 33.57 1pma s VAL 185 CO 0.20 0.38 0.21 -1.58 -3.33 0.00 0.00 175.10 170.97 1pma s GLN 186 N 0.59 3.97 0.49 1.54 0.74 -1.26 -0.20 119.66 125.53 1pma s GLN 186 Ca -0.14 -0.27 -0.24 0.00 0.05 0.00 0.00 55.36 54.75 1pma s GLN 186 Cb -0.16 -3.65 -0.07 0.00 1.10 0.00 0.00 33.01 30.23 1pma s GLN 186 CO 0.04 -0.17 1.41 1.28 -0.55 0.00 0.00 175.29 177.30 1pma n LEU 187 N 5.03 5.33 -4.74 3.68 4.32 -0.31 -4.94 117.00 125.37 1pma n LEU 187 Ca -0.13 1.06 -0.41 0.00 -0.02 0.00 0.00 56.01 56.50 1pma n LEU 187 Cb 0.52 -1.60 -0.02 0.00 -1.62 0.00 0.00 43.42 40.70 1pma n LEU 187 CO 0.34 -0.31 1.14 -2.84 -1.22 0.00 0.00 177.39 174.49 1pma s PRO 188 N -2.64 4.24 0.20 3.23 0.02 -1.26 -4.76 135.00 134.03 1pma s PRO 188 Ca 0.66 2.34 -0.20 0.00 0.02 0.00 0.00 61.00 63.81 1pma s PRO 188 Cb -0.43 -3.10 0.15 0.00 0.02 0.00 0.00 34.50 31.14 1pma s PRO 188 CO 0.54 -0.47 1.57 0.00 -0.33 0.00 0.00 177.00 178.31 1pma h THR 189 N 3.57 0.08 -0.45 0.99 1.03 -1.98 -0.02 112.91 116.14 1pma h THR 189 Ca -0.46 0.00 0.07 0.00 -0.01 0.00 0.00 66.41 66.01 1pma h THR 189 Cb 1.22 0.08 -0.06 0.00 -1.07 0.00 0.00 68.15 68.32 1pma h THR 189 CO 0.79 0.00 0.12 -2.24 -0.01 0.00 0.00 175.52 174.18 1pma h ASP 190 N -0.10 0.07 -0.89 0.00 3.04 -1.99 0.12 116.42 116.68 1pma h ASP 190 Ca 0.27 0.07 0.05 0.00 -3.24 0.00 0.00 57.03 54.18 1pma h ASP 190 Cb 0.57 0.08 -0.06 0.00 -1.04 0.00 0.00 39.33 38.88 1pma h ASP 190 CO -0.82 0.07 0.56 -0.61 -2.04 0.00 0.00 179.24 176.41 1pma h GLN 191 N 0.27 1.03 0.76 4.15 4.15 -1.43 0.14 115.11 124.18 1pma h GLN 191 Ca 0.22 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.54 1pma h GLN 191 Cb 0.25 -0.23 0.01 0.00 0.21 0.00 0.00 27.48 27.72 1pma h GLN 191 CO -0.26 0.68 -0.37 0.82 -1.93 0.00 0.00 178.83 177.77 1pma h ILE 192 N 1.06 0.14 -0.27 2.39 2.04 0.15 -1.98 117.51 121.04 1pma h ILE 192 Ca 0.37 -0.17 0.08 0.00 1.00 0.00 0.00 64.86 66.14 1pma h ILE 192 Cb 0.09 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 1pma h ILE 192 CO -0.15 0.01 0.21 1.05 0.00 0.00 0.00 178.15 179.28 1pma h GLU 193 N -1.17 0.00 -0.23 2.37 4.11 -0.67 0.31 114.58 119.30 1pma h GLU 193 Ca -0.10 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.30 1pma h GLU 193 Cb 0.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1pma h GLU 193 CO 0.17 0.00 0.06 1.03 0.07 0.00 0.00 179.01 180.35 1pma h SER 194 N 0.00 0.35 -0.63 3.06 0.87 -0.40 -1.02 113.55 115.78 1pma h SER 194 Ca 0.13 -0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1pma h SER 194 Cb 0.55 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 1pma h SER 194 CO -0.00 0.47 0.39 0.03 -0.53 0.00 0.00 176.83 177.19 1pma h ARG 195 N 0.20 0.87 0.73 2.24 3.08 -0.20 0.34 114.38 121.64 1pma h ARG 195 Ca 0.07 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1pma h ARG 195 Cb 0.26 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1pma h ARG 195 CO -0.00 0.61 -0.50 0.82 -1.07 0.00 0.00 179.97 179.83 1pma h ILE 196 N 0.88 0.01 -0.16 2.04 2.04 -0.81 0.26 117.51 121.76 1pma h ILE 196 Ca 0.23 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.14 1pma h ILE 196 Cb -0.03 0.01 -0.07 0.00 -0.74 0.00 0.00 36.82 35.98 1pma h ILE 196 CO -0.04 0.00 -0.43 -0.09 0.00 0.00 0.00 178.15 177.59 1pma h ARG 197 N -1.17 -0.46 -0.83 2.37 2.43 -0.99 -1.42 114.38 114.31 1pma h ARG 197 Ca -0.10 0.03 0.19 0.00 -0.81 0.00 0.00 59.98 59.29 1pma h ARG 197 Cb 0.95 0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 30.50 1pma h ARG 197 CO 0.06 -0.31 0.33 -0.22 -1.51 0.00 0.00 179.97 178.33 1pma h LYS 198 N -0.48 0.39 0.00 0.20 3.64 -0.67 0.13 116.57 119.77 1pma h LYS 198 Ca 0.08 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1pma h LYS 198 Cb 0.62 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1pma h LYS 198 CO -0.42 0.26 0.00 1.28 -2.27 0.00 0.00 179.45 178.29 1pma n LEU 199 N -5.05 0.00 -0.22 5.20 4.77 0.88 -4.88 117.00 117.70 1pma n LEU 199 Ca 0.18 0.40 -0.03 0.00 -0.03 0.00 0.00 56.01 56.54 1pma n LEU 199 Cb 0.55 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1pma n LEU 199 CO 0.14 -0.07 -0.03 0.61 -1.33 0.00 0.00 177.39 176.72 1pma n GLY 200 N 0.92 0.52 0.28 -0.72 0.00 0.45 -5.04 105.19 101.60 1pma n GLY 200 Ca 0.09 -0.93 -0.02 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.31 0.00 -3.85 0.99 4.32 -0.72 -5.03 117.00 112.40 1pma n LEU 201 Ca -0.03 -0.15 -0.11 0.00 -0.02 0.00 0.00 56.01 55.70 1pma n LEU 201 Cb 0.17 -0.05 -0.09 0.00 -1.62 0.00 0.00 43.42 41.83 1pma n LEU 201 CO 0.04 -0.54 -0.13 -0.51 -1.22 0.00 0.00 177.39 175.03 1pma s ILE 202 N -0.16 0.09 0.00 -0.08 2.07 -1.26 -4.62 121.20 117.25 1pma s ILE 202 Ca 0.05 -0.76 0.00 0.00 -1.41 0.00 0.00 60.65 58.53 1pma s ILE 202 Cb -0.00 -0.64 0.00 0.00 0.13 0.00 0.00 42.46 41.94 1pma s ILE 202 CO 0.03 -0.42 0.00 -0.11 -1.91 0.00 0.00 174.94 172.53