#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 0.15 1.09 -1.32 -1.26 0.87 115.64 115.16 1pma s THR 2 Ca 0.00 0.06 0.05 0.00 -1.21 0.00 0.00 61.69 60.59 1pma s THR 2 Cb 0.00 -0.42 -0.04 0.00 -1.51 0.00 0.00 72.50 70.53 1pma s THR 2 CO 0.00 0.02 -0.12 0.42 -2.21 0.00 0.00 174.62 172.74 1pma s THR 3 N 0.65 1.30 -0.20 5.08 -4.23 0.11 -2.56 115.64 115.79 1pma s THR 3 Ca -0.04 -2.03 -0.12 0.00 -1.18 0.00 0.00 61.69 58.33 1pma s THR 3 Cb -0.05 -1.82 0.06 0.00 1.34 0.00 0.00 72.50 72.03 1pma s THR 3 CO -0.04 -0.66 0.50 0.54 -0.54 0.00 0.00 174.62 174.42 1pma s VAL 4 N -3.04 -0.02 -0.07 2.29 0.11 0.60 -0.31 120.40 119.97 1pma s VAL 4 Ca 0.16 0.06 0.02 0.00 -2.93 0.00 0.00 61.98 59.29 1pma s VAL 4 Cb 0.01 -0.73 -0.02 0.00 -1.53 0.00 0.00 36.38 34.10 1pma s VAL 4 CO 0.02 0.03 -0.12 -0.83 -3.33 0.00 0.00 175.10 170.87 1pma s GLY 5 N 1.43 1.58 -0.04 6.54 0.00 0.56 -1.73 107.32 115.66 1pma s GLY 5 Ca -0.09 -0.94 -0.02 0.00 0.00 0.00 0.00 44.72 43.67 1pma s GLY 5 CO -0.14 -0.61 0.09 -1.50 0.00 0.00 0.00 173.10 170.93 1pma s ILE 6 N -0.51 -0.03 0.03 0.90 2.07 -0.61 -0.53 121.20 122.52 1pma s ILE 6 Ca 0.07 0.12 -0.03 0.00 -1.41 0.00 0.00 60.65 59.40 1pma s ILE 6 Cb -0.12 -0.15 -0.04 0.00 0.13 0.00 0.00 42.46 42.28 1pma s ILE 6 CO 0.02 0.05 0.24 -0.89 -1.91 0.00 0.00 174.94 172.44 1pma s THR 7 N 0.71 5.36 -0.23 4.00 2.01 0.42 -1.95 115.64 125.96 1pma s THR 7 Ca -0.06 -0.11 -0.27 0.00 0.31 0.00 0.00 61.69 61.57 1pma s THR 7 Cb -0.08 -3.58 0.11 0.00 0.01 0.00 0.00 72.50 68.97 1pma s THR 7 CO -0.03 0.25 0.96 -1.48 -0.69 0.00 0.00 174.62 173.63 1pma s LEU 8 N -2.13 -0.48 0.00 4.42 0.05 -0.97 -4.88 118.68 114.69 1pma s LEU 8 Ca 0.31 0.81 0.00 0.00 0.05 0.00 0.00 54.13 55.30 1pma s LEU 8 Cb -0.13 1.99 0.00 0.00 -2.05 0.00 0.00 46.19 46.00 1pma s LEU 8 CO 0.21 -0.24 0.00 1.17 -0.55 0.00 0.00 176.35 176.94 1pma n LYS 9 N 1.81 0.00 -2.19 1.48 3.00 -1.26 -1.05 118.16 119.95 1pma n LYS 9 Ca -0.13 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 57.96 1pma n LYS 9 Cb 0.56 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.61 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 0.58 4.57 -3.60 3.14 8.00 -1.26 -4.78 116.55 123.21 1pma n ASP 10 Ca 0.00 -3.60 -0.07 0.00 0.71 0.00 0.00 54.79 51.84 1pma n ASP 10 Cb 0.00 -0.38 -0.02 0.00 -0.02 0.00 0.00 41.12 40.70 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 -3.59 -1.76 -0.01 2.24 0.00 -0.22 -4.43 121.76 113.99 1pma s ALA 11 Ca 0.48 0.67 0.02 0.00 0.00 0.00 0.00 51.96 53.14 1pma s ALA 11 Cb 0.40 0.51 -0.00 0.00 0.00 0.00 0.00 23.12 24.03 1pma s ALA 11 CO -0.02 -0.82 -0.08 0.54 0.00 0.00 0.00 175.76 175.38 1pma s VAL 12 N -3.18 0.69 -0.04 0.00 0.11 -0.70 -2.28 120.40 115.00 1pma s VAL 12 Ca 0.08 -0.35 0.06 0.00 -2.93 0.00 0.00 61.98 58.84 1pma s VAL 12 Cb -0.01 -0.60 -0.01 0.00 -1.53 0.00 0.00 36.38 34.23 1pma s VAL 12 CO -0.05 0.21 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.08 1pma s ILE 13 N -0.03 1.74 0.02 7.04 1.01 -0.82 -0.18 121.20 129.98 1pma s ILE 13 Ca 0.01 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.77 1pma s ILE 13 Cb -0.05 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 1pma s ILE 13 CO -0.00 0.49 -0.08 -0.04 0.00 0.00 0.00 174.94 175.31 1pma s MET 14 N -0.25 0.58 0.06 2.79 -1.94 0.09 -1.57 119.30 119.06 1pma s MET 14 Ca 0.01 -0.55 -0.22 0.00 -1.71 0.00 0.00 55.69 53.22 1pma s MET 14 Cb -0.11 -0.47 0.05 0.00 2.01 0.00 0.00 34.83 36.31 1pma s MET 14 CO 0.01 0.11 0.52 0.00 -0.01 0.00 0.00 175.02 175.66 1pma s ALA 15 N -0.81 -1.33 0.10 3.03 0.00 -0.71 -0.68 121.76 121.36 1pma s ALA 15 Ca -0.03 0.56 -0.14 0.00 0.00 0.00 0.00 51.96 52.35 1pma s ALA 15 Cb -0.07 0.44 0.02 0.00 0.00 0.00 0.00 23.12 23.51 1pma s ALA 15 CO 0.00 -0.53 0.33 0.95 0.00 0.00 0.00 175.76 176.51 1pma s THR 16 N -2.62 0.09 0.00 0.00 -4.23 -0.95 -0.29 115.64 107.64 1pma s THR 16 Ca -0.04 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 1pma s THR 16 Cb -0.00 -1.16 0.00 0.00 1.34 0.00 0.00 72.50 72.68 1pma s THR 16 CO -0.03 -0.40 0.00 -1.84 -0.54 0.00 0.00 174.62 171.81 1pma n GLU 17 N -0.00 1.63 -2.13 3.99 -0.00 -1.06 -1.34 120.64 121.73 1pma n GLU 17 Ca -0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 57.16 56.98 1pma n GLU 17 Cb 0.62 0.00 0.04 0.00 -0.00 0.00 0.00 31.44 32.11 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 -0.35 0.91 -3.24 3.44 1.85 -0.65 -4.65 116.66 113.97 1pma n ARG 18 Ca 0.00 -1.92 -0.38 0.00 -1.00 0.00 0.00 57.85 54.55 1pma n ARG 18 Cb 0.00 -0.17 -0.06 0.00 -1.05 0.00 0.00 32.46 31.18 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 -0.97 4.35 -0.17 2.89 3.52 -0.78 -0.70 118.95 127.10 1pma s ARG 19 Ca 0.16 0.59 -0.01 0.00 -0.13 0.00 0.00 55.73 56.35 1pma s ARG 19 Cb 0.30 -3.42 -0.00 0.00 -1.56 0.00 0.00 34.95 30.27 1pma s ARG 19 CO -0.08 0.17 -0.13 0.54 -0.81 0.00 0.00 175.30 174.99 1pma s VAL 20 N 0.53 2.84 0.19 7.11 0.11 0.53 -4.64 120.40 127.08 1pma s VAL 20 Ca 0.29 -0.71 0.06 0.00 -2.93 0.00 0.00 61.98 58.70 1pma s VAL 20 Cb -0.16 -2.22 -0.05 0.00 -1.53 0.00 0.00 36.38 32.42 1pma s VAL 20 CO 0.13 0.50 -0.12 0.28 -3.33 0.00 0.00 175.10 172.56 1pma s THR 21 N 0.90 1.53 -0.47 5.04 -1.32 -1.26 -0.82 115.64 119.24 1pma s THR 21 Ca -0.03 -2.15 0.03 0.00 -1.21 0.00 0.00 61.69 58.33 1pma s THR 21 Cb -0.15 -2.03 0.13 0.00 -1.51 0.00 0.00 72.50 68.94 1pma s THR 21 CO -0.01 -0.61 0.22 -0.32 -2.21 0.00 0.00 174.62 171.69 1pma s MET 22 N -3.69 1.71 7.04 7.08 -2.45 0.13 -4.86 119.30 124.27 1pma s MET 22 Ca 0.21 -2.33 0.00 0.00 -1.25 0.00 0.00 55.69 52.33 1pma s MET 22 Cb 0.01 -3.05 0.00 0.00 1.25 0.00 0.00 34.83 33.03 1pma s MET 22 CO 0.05 -1.09 0.00 0.39 1.05 0.00 0.00 175.02 175.42 1pma n GLU 23 N 3.44 0.00 0.03 4.11 1.02 -1.26 -1.54 120.64 126.43 1pma n GLU 23 Ca 0.05 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.30 1pma n GLU 23 Cb 0.34 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.66 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 9.94 0.34 -4.55 1.62 6.94 -1.26 -4.76 115.26 123.54 1pma n ASN 24 Ca 0.00 0.03 -0.38 0.00 -0.02 0.00 0.00 54.58 54.22 1pma n ASN 24 Cb 0.00 1.39 -0.03 0.00 -2.36 0.00 0.00 39.78 38.78 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 -3.42 1.86 -0.76 -2.53 5.36 -0.59 -4.90 117.98 113.00 1pma s PHE 25 Ca -0.04 0.49 -0.26 0.00 -0.96 0.00 0.00 56.93 56.16 1pma s PHE 25 Cb 0.13 -4.24 0.03 0.00 -0.34 0.00 0.00 43.02 38.60 1pma s PHE 25 CO 0.86 -2.17 1.36 -1.50 -1.46 0.00 0.00 175.22 172.32 1pma s ILE 26 N 8.23 3.71 0.04 3.12 -1.16 -1.26 0.21 121.20 134.08 1pma s ILE 26 Ca 0.59 0.25 0.00 0.00 -0.51 0.00 0.00 60.65 60.98 1pma s ILE 26 Cb -0.10 -4.83 -0.26 0.00 0.61 0.00 0.00 42.46 37.87 1pma s ILE 26 CO 0.15 -1.77 0.99 -0.03 -2.81 0.00 0.00 174.94 171.48 1pma h MET 27 N 10.47 0.18 -3.96 3.50 1.85 -1.86 -3.46 114.93 121.65 1pma h MET 27 Ca -0.22 -0.31 -0.48 0.00 -0.61 0.00 0.00 59.70 58.08 1pma h MET 27 Cb 1.06 0.11 -0.37 0.00 0.43 0.00 0.00 31.60 32.83 1pma h MET 27 CO 1.29 1.06 -0.78 -1.01 -0.40 0.00 0.00 176.91 177.06 1pma s HIS 28 N -2.64 1.05 -0.23 1.39 3.76 0.00 -5.00 115.29 113.61 1pma s HIS 28 Ca -0.05 -0.43 0.19 0.00 -0.15 0.00 0.00 55.06 54.62 1pma s HIS 28 Cb 0.08 -1.00 0.28 0.00 1.11 0.00 0.00 32.58 33.05 1pma s HIS 28 CO 0.85 -0.41 1.56 0.87 -0.85 0.00 0.00 174.74 176.76 1pma h LYS 29 N 8.21 0.00 -2.73 1.40 1.57 -1.85 0.15 116.57 123.32 1pma h LYS 29 Ca -0.25 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.93 1pma h LYS 29 Cb 1.13 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.04 1pma h LYS 29 CO 0.34 0.27 -0.78 -0.80 -0.57 0.00 0.00 179.45 177.91 1pma s ASN 30 N -6.32 3.12 0.61 0.86 -0.87 -1.25 -4.25 114.94 106.84 1pma s ASN 30 Ca 0.05 -3.38 0.03 0.00 -1.57 0.00 0.00 52.86 47.99 1pma s ASN 30 Cb 0.07 -1.02 0.08 0.00 -0.02 0.00 0.00 41.25 40.36 1pma s ASN 30 CO 0.70 -0.14 0.84 -0.83 -2.57 0.00 0.00 177.10 175.10 1pma s GLY 31 N -0.59 1.79 -0.06 0.66 0.00 0.12 -5.03 107.32 104.21 1pma s GLY 31 Ca 0.28 -1.73 0.05 0.00 0.00 0.00 0.00 44.72 43.33 1pma s GLY 31 CO -0.17 -1.30 -0.22 1.25 0.00 0.00 0.00 173.10 172.66 1pma s LYS 32 N -4.84 2.36 0.00 2.90 2.20 -1.26 -4.75 119.74 116.35 1pma s LYS 32 Ca 0.62 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 1pma s LYS 32 Cb -0.07 -1.98 0.00 0.00 -1.51 0.00 0.00 37.83 34.27 1pma s LYS 32 CO 0.40 0.31 0.43 1.63 -0.36 0.00 0.00 175.35 177.77 1pma n LYS 33 N 3.08 -0.22 -4.66 4.03 5.02 -1.26 -4.98 118.16 119.18 1pma n LYS 33 Ca -0.18 -0.49 -0.33 0.00 -2.02 0.00 0.00 58.31 55.29 1pma n LYS 33 Cb 0.52 -0.85 -0.15 0.00 -0.02 0.00 0.00 35.03 34.53 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 -0.12 2.46 -0.01 -0.35 2.96 -1.26 -2.19 118.68 120.16 1pma s LEU 34 Ca 0.00 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 1pma s LEU 34 Cb 0.00 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 45.14 1pma s LEU 34 CO 0.00 0.11 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.72 1pma s PHE 35 N 0.67 0.57 0.50 5.38 0.08 -0.74 -5.01 117.98 119.44 1pma s PHE 35 Ca -0.08 -0.12 -0.19 0.00 0.12 0.00 0.00 56.93 56.66 1pma s PHE 35 Cb -0.16 -0.41 -0.08 0.00 -0.57 0.00 0.00 43.02 41.80 1pma s PHE 35 CO 0.02 -0.05 1.02 -1.14 -0.10 0.00 0.00 175.22 174.98 1pma s GLN 36 N 0.11 3.77 0.00 0.44 0.74 -1.26 -0.74 119.66 122.72 1pma s GLN 36 Ca -0.01 1.26 0.00 0.00 0.05 0.00 0.00 55.36 56.66 1pma s GLN 36 Cb -0.05 -2.10 0.00 0.00 1.10 0.00 0.00 33.01 31.96 1pma s GLN 36 CO -0.00 -0.44 0.05 1.51 -0.55 0.00 0.00 175.29 175.86 1pma n ILE 37 N -1.20 0.00 -3.61 -2.34 3.06 0.11 -4.81 119.36 110.57 1pma n ILE 37 Ca 0.09 -0.22 -0.04 0.00 -2.50 0.00 0.00 62.75 60.08 1pma n ILE 37 Cb 0.53 1.14 -0.02 0.00 0.54 0.00 0.00 39.64 41.83 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 -0.33 -0.11 0.32 9.51 2.15 -1.03 -4.71 116.67 122.48 1pma s ASP 38 Ca 0.00 0.02 0.15 0.00 0.43 0.00 0.00 52.55 53.15 1pma s ASP 38 Cb 0.00 0.11 1.09 0.00 -0.30 0.00 0.00 42.92 43.82 1pma s ASP 38 CO 0.00 -0.17 1.39 0.35 -0.17 0.00 0.00 175.17 176.57 1pma n THR 39 N 0.04 -0.37 -2.09 1.71 -2.24 -1.26 -1.13 114.28 108.94 1pma n THR 39 Ca 0.01 1.82 -0.10 0.00 -2.27 0.00 0.00 64.05 63.51 1pma n THR 39 Cb 0.58 -2.89 0.07 0.00 -2.10 0.00 0.00 70.33 65.99 1pma n THR 39 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1pma n TYR 40 N -5.05 1.55 -3.63 4.78 4.01 -1.26 -3.26 117.16 114.30 1pma n TYR 40 Ca 0.31 -1.87 -0.15 0.00 -0.16 0.00 0.00 57.90 56.03 1pma n TYR 40 Cb 1.05 -0.28 -0.07 0.00 -0.31 0.00 0.00 39.34 39.72 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 -3.71 0.01 0.27 -0.72 -1.32 -0.28 -2.07 115.64 107.82 1pma s THR 41 Ca 0.42 -0.06 0.03 0.00 -1.21 0.00 0.00 61.69 60.88 1pma s THR 41 Cb 0.38 -0.87 -0.06 0.00 -1.51 0.00 0.00 72.50 70.44 1pma s THR 41 CO -0.02 -0.03 0.04 -0.83 -2.21 0.00 0.00 174.62 171.56 1pma s GLY 42 N -0.38 1.81 -0.06 6.08 0.00 0.09 -0.71 107.32 114.15 1pma s GLY 42 Ca -0.05 -1.91 -0.05 0.00 0.00 0.00 0.00 44.72 42.71 1pma s GLY 42 CO 0.04 -1.72 0.15 -0.29 0.00 0.00 0.00 173.10 171.28 1pma s MET 43 N -3.90 0.16 -0.15 2.90 1.75 0.08 -2.09 119.30 118.05 1pma s MET 43 Ca 0.34 0.22 0.00 0.00 -1.25 0.00 0.00 55.69 54.99 1pma s MET 43 Cb 0.07 0.06 -0.01 0.00 2.84 0.00 0.00 34.83 37.80 1pma s MET 43 CO 0.12 -0.03 -0.14 0.95 -0.65 0.00 0.00 175.02 175.27 1pma s THR 44 N 0.16 2.84 0.26 10.11 -4.23 0.05 -1.78 115.64 123.05 1pma s THR 44 Ca -0.01 -0.72 -0.09 0.00 -1.18 0.00 0.00 61.69 59.69 1pma s THR 44 Cb -0.02 -2.20 -0.07 0.00 1.34 0.00 0.00 72.50 71.56 1pma s THR 44 CO -0.00 0.52 0.58 -0.63 -0.54 0.00 0.00 174.62 174.54 1pma s ILE 45 N 0.64 4.93 -0.30 2.99 1.01 -0.93 -2.65 121.20 126.89 1pma s ILE 45 Ca -0.08 0.41 -0.14 0.00 0.00 0.00 0.00 60.65 60.84 1pma s ILE 45 Cb -0.16 -3.65 0.16 0.00 0.01 0.00 0.00 42.46 38.82 1pma s ILE 45 CO 0.03 -0.17 0.92 0.00 0.00 0.00 0.00 174.94 175.71 1pma s ALA 46 N -1.93 -2.54 0.00 9.38 0.00 -1.21 -4.91 121.76 120.55 1pma s ALA 46 Ca 0.47 2.13 0.00 0.00 0.00 0.00 0.00 51.96 54.56 1pma s ALA 46 Cb -0.11 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.05 1pma s ALA 46 CO 0.24 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.52 1pma n GLY 47 N 4.95 0.50 3.61 0.00 0.00 -1.26 -1.25 105.19 111.75 1pma n GLY 47 Ca -0.11 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 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 3.68 0.17 0.99 2.96 -0.65 -4.90 118.68 120.93 1pma s LEU 48 Ca 0.00 1.42 -0.28 0.00 -0.22 0.00 0.00 54.13 55.05 1pma s LEU 48 Cb 0.00 -3.53 -0.00 0.00 0.50 0.00 0.00 46.19 43.16 1pma s LEU 48 CO 0.00 -1.49 1.55 -0.37 -1.32 0.00 0.00 176.35 174.73 1pma h VAL 49 N 6.49 0.03 -0.59 1.68 -1.51 -1.95 -1.03 116.25 119.36 1pma h VAL 49 Ca -0.33 0.00 0.06 0.00 -1.23 0.00 0.00 66.70 65.19 1pma h VAL 49 Cb 1.16 0.03 -0.09 0.00 -2.13 0.00 0.00 31.29 30.26 1pma h VAL 49 CO 1.02 0.00 -0.49 1.23 -1.23 0.00 0.00 177.57 178.11 1pma h GLY 50 N -0.16 -1.15 0.59 5.19 0.00 -1.98 0.68 103.07 106.24 1pma h GLY 50 Ca 0.17 0.80 0.06 0.00 0.00 0.00 0.00 47.33 48.36 1pma h GLY 50 CO -0.80 -0.17 0.15 -0.55 0.00 0.00 0.00 176.54 175.18 1pma h ASP 51 N -0.17 0.16 -0.36 0.19 3.32 -1.76 -2.45 116.42 115.36 1pma h ASP 51 Ca 0.10 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.24 1pma h ASP 51 Cb 0.42 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 1pma h ASP 51 CO -0.65 0.12 0.15 0.00 -1.72 0.00 0.00 179.24 177.14 1pma h ALA 52 N 1.30 0.43 0.79 3.45 0.00 -0.54 -1.81 119.26 122.87 1pma h ALA 52 Ca 0.21 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1pma h ALA 52 Cb 0.21 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1pma h ALA 52 CO -0.22 -0.24 -0.38 1.96 0.00 0.00 0.00 179.25 180.38 1pma h GLN 53 N 0.31 -1.02 -0.84 0.00 4.20 -0.44 -1.29 115.11 116.04 1pma h GLN 53 Ca 0.16 0.07 0.16 0.00 0.06 0.00 0.00 58.65 59.10 1pma h GLN 53 Cb 0.10 0.23 -0.06 0.00 0.30 0.00 0.00 27.48 28.06 1pma h GLN 53 CO -0.14 -0.67 0.55 -0.24 -0.67 0.00 0.00 178.83 177.66 1pma h VAL 54 N -1.11 0.77 -0.48 -0.54 3.04 -1.45 -0.22 116.25 116.26 1pma h VAL 54 Ca -0.11 -0.17 -0.05 0.00 -1.01 0.00 0.00 66.70 65.37 1pma h VAL 54 Cb 0.82 0.24 -0.02 0.00 -2.01 0.00 0.00 31.29 30.32 1pma h VAL 54 CO 0.18 0.09 0.11 0.25 -1.01 0.00 0.00 177.57 177.19 1pma h LEU 55 N 0.48 0.74 -1.18 3.16 5.85 -1.06 -1.88 115.31 121.42 1pma h LEU 55 Ca 0.42 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 1pma h LEU 55 Cb 0.92 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1pma h LEU 55 CO -0.16 0.79 -0.09 1.62 -0.34 0.00 0.00 178.44 180.26 1pma h VAL 56 N 0.66 1.21 0.16 1.05 3.04 0.13 -1.79 116.25 120.71 1pma h VAL 56 Ca 0.15 -0.91 -0.01 0.00 -1.01 0.00 0.00 66.70 64.92 1pma h VAL 56 Cb 0.34 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 1pma h VAL 56 CO 0.00 0.30 -0.08 0.03 -1.01 0.00 0.00 177.57 176.82 1pma h ARG 57 N 0.44 -0.21 -0.14 4.17 3.08 -0.87 -0.83 114.38 120.02 1pma h ARG 57 Ca 0.09 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.19 1pma h ARG 57 Cb 0.43 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.48 1pma h ARG 57 CO 0.02 0.09 -0.13 1.88 -1.07 0.00 0.00 179.97 180.76 1pma h TYR 58 N -0.51 -0.33 -0.61 3.04 -1.99 -1.26 -1.37 116.97 113.94 1pma h TYR 58 Ca -0.02 0.02 0.11 0.00 2.00 0.00 0.00 58.73 60.84 1pma h TYR 58 Cb 0.39 0.17 -0.09 0.00 2.00 0.00 0.00 36.73 39.21 1pma h TYR 58 CO 0.02 -0.20 0.15 1.98 -0.00 0.00 0.00 178.16 180.11 1pma h MET 59 N -0.15 0.28 0.12 4.88 4.05 -1.30 0.96 114.93 123.77 1pma h MET 59 Ca 0.10 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.52 1pma h MET 59 Cb 0.29 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.00 1pma h MET 59 CO -0.24 0.18 -0.26 -0.22 0.23 0.00 0.00 176.91 176.60 1pma h LYS 60 N 0.28 -0.46 -0.10 0.39 3.64 -0.33 -1.93 116.57 118.07 1pma h LYS 60 Ca 0.32 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.72 1pma h LYS 60 Cb 0.47 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1pma h LYS 60 CO -0.40 -0.31 0.02 0.00 -2.27 0.00 0.00 179.45 176.50 1pma h ALA 61 N 0.25 0.14 -0.54 5.00 0.00 -0.71 -2.29 119.26 121.11 1pma h ALA 61 Ca 0.03 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.89 1pma h ALA 61 Cb 0.50 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 1pma h ALA 61 CO -0.15 -0.21 0.11 1.49 0.00 0.00 0.00 179.25 180.49 1pma h GLU 62 N -0.05 0.24 0.51 0.00 4.57 -0.77 0.11 114.58 119.19 1pma h GLU 62 Ca 0.03 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 1pma h GLU 62 Cb 0.28 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1pma h GLU 62 CO 0.00 0.16 -0.25 -0.07 -1.18 0.00 0.00 179.01 177.67 1pma h LEU 63 N 0.24 -0.58 -0.58 1.64 4.07 -1.35 -1.35 115.31 117.40 1pma h LEU 63 Ca 0.28 -0.02 0.12 0.00 0.08 0.00 0.00 57.88 58.33 1pma h LEU 63 Cb 0.39 0.15 -0.09 0.00 1.08 0.00 0.00 40.66 42.19 1pma h LEU 63 CO -0.36 -0.35 0.06 -0.08 -1.08 0.00 0.00 178.44 176.63 1pma h GLU 64 N -0.78 0.17 0.26 1.13 4.81 -0.96 0.50 114.58 119.71 1pma h GLU 64 Ca -0.07 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1pma h GLU 64 Cb 0.57 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1pma h GLU 64 CO 0.12 0.11 -0.35 1.25 -0.73 0.00 0.00 179.01 179.41 1pma h LEU 65 N 0.18 -0.97 -0.42 1.64 5.85 -0.70 -2.43 115.31 118.45 1pma h LEU 65 Ca 0.31 0.10 0.09 0.00 0.84 0.00 0.00 57.88 59.21 1pma h LEU 65 Cb 0.47 0.35 -0.08 0.00 0.37 0.00 0.00 40.66 41.77 1pma h LEU 65 CO -0.45 -0.47 -0.12 0.22 -0.34 0.00 0.00 178.44 177.28 1pma h TYR 66 N -0.66 -0.27 -0.67 1.25 5.03 -0.13 -1.90 116.97 119.61 1pma h TYR 66 Ca -0.00 0.04 0.13 0.00 2.58 0.00 0.00 58.73 61.47 1pma h TYR 66 Cb 0.63 0.19 -0.09 0.00 1.55 0.00 0.00 36.73 39.01 1pma h TYR 66 CO -0.25 -0.20 0.20 -0.09 -1.32 0.00 0.00 178.16 176.50 1pma h ARG 67 N -0.02 0.32 -0.09 1.82 2.43 -0.54 0.13 114.38 118.42 1pma h ARG 67 Ca 0.20 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1pma h ARG 67 Cb 0.33 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1pma h ARG 67 CO -0.45 0.21 0.03 -0.07 -1.51 0.00 0.00 179.97 178.19 1pma h LEU 68 N 0.33 0.13 -0.75 3.80 4.07 -0.91 0.67 115.31 122.65 1pma h LEU 68 Ca 0.36 -0.20 -0.12 0.00 0.08 0.00 0.00 57.88 58.00 1pma h LEU 68 Cb 0.54 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 1pma h LEU 68 CO -0.41 0.30 -0.33 1.56 -1.08 0.00 0.00 178.44 178.48 1pma h GLN 69 N -0.03 0.57 -0.03 1.13 4.20 -0.77 -3.21 115.11 116.98 1pma h GLN 69 Ca 0.03 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1pma h GLN 69 Cb 0.21 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1pma h GLN 69 CO -0.00 0.83 -0.12 0.54 -0.67 0.00 0.00 178.83 179.41 1pma n ARG 70 N -4.07 1.98 -1.15 1.46 1.74 0.39 -4.96 116.66 112.05 1pma n ARG 70 Ca -0.01 -1.61 -0.08 0.00 -0.77 0.00 0.00 57.85 55.38 1pma n ARG 70 Cb 0.47 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.41 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 0.90 -1.70 -3.82 5.56 3.00 0.22 -4.89 116.66 115.93 1pma n ARG 71 Ca 0.13 0.71 -0.10 0.00 -0.00 0.00 0.00 57.85 58.59 1pma n ARG 71 Cb 0.55 -4.94 -0.07 0.00 0.00 0.00 0.00 32.46 27.99 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 -1.62 0.12 0.17 5.15 0.11 -1.16 -5.02 120.40 118.15 1pma s VAL 72 Ca 0.00 -0.99 -0.30 0.00 -2.93 0.00 0.00 61.98 57.76 1pma s VAL 72 Cb 0.00 -1.18 -0.07 0.00 -1.53 0.00 0.00 36.38 33.59 1pma s VAL 72 CO 0.00 -0.55 1.03 0.20 -3.33 0.00 0.00 175.10 172.45 1pma s ASN 73 N -2.60 7.40 0.11 3.54 -0.87 -1.26 -4.20 114.94 117.06 1pma s ASN 73 Ca 0.01 1.98 -0.31 0.00 -1.57 0.00 0.00 52.86 52.98 1pma s ASN 73 Cb 0.03 -2.60 -0.09 0.00 -0.02 0.00 0.00 41.25 38.57 1pma s ASN 73 CO -0.09 -0.11 1.51 -0.32 -2.57 0.00 0.00 177.10 175.52 1pma s MET 74 N -0.42 4.25 0.55 -0.60 -2.45 -1.26 -4.97 119.30 114.41 1pma s MET 74 Ca 0.47 2.22 -0.21 0.00 -1.25 0.00 0.00 55.69 56.92 1pma s MET 74 Cb -0.27 -3.31 -0.05 0.00 1.25 0.00 0.00 34.83 32.45 1pma s MET 74 CO 0.33 -0.57 1.31 -2.14 1.05 0.00 0.00 175.02 175.00 1pma s PRO 75 N 1.53 3.15 0.15 4.11 0.02 -1.26 -4.77 135.00 137.92 1pma s PRO 75 Ca 0.68 2.12 -0.18 0.00 0.02 0.00 0.00 61.00 63.64 1pma s PRO 75 Cb -0.39 -2.20 0.03 0.00 0.02 0.00 0.00 34.50 31.95 1pma s PRO 75 CO 0.31 -1.15 1.72 0.82 -0.33 0.00 0.00 177.00 178.37 1pma h ILE 76 N 1.36 0.81 -0.02 2.83 1.08 -1.95 0.29 117.51 121.91 1pma h ILE 76 Ca -0.51 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 1pma h ILE 76 Cb 1.30 0.69 -0.00 0.00 -3.07 0.00 0.00 36.82 35.74 1pma h ILE 76 CO 0.57 0.02 0.01 -0.08 -0.69 0.00 0.00 178.15 177.98 1pma h GLU 77 N 0.11 0.00 0.21 2.37 4.81 -1.98 0.22 114.58 120.32 1pma h GLU 77 Ca 0.14 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1pma h GLU 77 Cb 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1pma h GLU 77 CO -0.22 0.00 -0.10 0.00 -0.73 0.00 0.00 179.01 177.96 1pma h ALA 78 N 1.99 -0.29 -0.82 2.92 0.00 -0.86 0.23 119.26 122.44 1pma h ALA 78 Ca 0.01 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1pma h ALA 78 Cb 0.03 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1pma h ALA 78 CO -0.00 -0.49 0.54 -0.24 0.00 0.00 0.00 179.25 179.06 1pma h VAL 79 N -0.63 1.18 0.06 0.00 3.04 -0.44 -0.60 116.25 118.86 1pma h VAL 79 Ca -0.03 -0.37 0.01 0.00 -1.01 0.00 0.00 66.70 65.30 1pma h VAL 79 Cb 0.45 0.01 -0.02 0.00 -2.01 0.00 0.00 31.29 29.72 1pma h VAL 79 CO 0.05 0.20 -0.14 0.00 -1.01 0.00 0.00 177.57 176.67 1pma h ALA 80 N 1.32 -0.21 -0.25 3.17 0.00 -0.82 -0.88 119.26 121.59 1pma h ALA 80 Ca 0.31 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.26 1pma h ALA 80 Cb -0.07 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1pma h ALA 80 CO -0.08 -0.65 -0.07 1.15 0.00 0.00 0.00 179.25 179.59 1pma h THR 81 N -0.26 0.72 -0.43 0.00 2.02 0.01 0.19 112.91 115.16 1pma h THR 81 Ca 0.03 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.29 1pma h THR 81 Cb 0.29 0.72 -0.08 0.00 -1.74 0.00 0.00 68.15 67.33 1pma h THR 81 CO -0.09 0.00 -0.13 0.25 0.37 0.00 0.00 175.52 175.92 1pma h LEU 82 N -0.02 -0.46 -1.05 2.58 5.85 -0.61 0.24 115.31 121.84 1pma h LEU 82 Ca 0.12 0.14 0.02 0.00 0.84 0.00 0.00 57.88 59.00 1pma h LEU 82 Cb 0.21 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 1pma h LEU 82 CO -0.27 -0.16 0.64 0.25 -0.34 0.00 0.00 178.44 178.56 1pma h LEU 83 N -0.03 1.10 -0.32 2.25 5.85 -0.40 -0.38 115.31 123.39 1pma h LEU 83 Ca 0.21 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1pma h LEU 83 Cb 0.35 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1pma h LEU 83 CO -0.46 0.79 0.21 -1.28 -0.34 0.00 0.00 178.44 177.36 1pma h SER 84 N 1.30 0.35 -0.12 1.25 0.87 0.20 -1.70 113.55 115.70 1pma h SER 84 Ca 0.36 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.91 1pma h SER 84 Cb -0.12 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 1pma h SER 84 CO -0.09 0.26 0.05 0.78 -0.53 0.00 0.00 176.83 177.30 1pma h ASN 85 N 0.42 0.17 -0.15 6.23 4.21 0.09 -2.31 115.58 124.24 1pma h ASN 85 Ca 0.12 -0.16 0.05 0.00 1.21 0.00 0.00 56.30 57.52 1pma h ASN 85 Cb -0.04 -0.04 -0.06 0.00 -1.12 0.00 0.00 38.32 37.05 1pma h ASN 85 CO -0.03 0.29 -0.30 0.24 -1.29 0.00 0.00 177.43 176.33 1pma h MET 86 N 0.05 -0.35 -0.17 0.81 2.86 -0.85 -1.19 114.93 116.08 1pma h MET 86 Ca 0.04 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1pma h MET 86 Cb 0.17 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1pma h MET 86 CO -0.00 -0.23 0.02 -0.07 1.06 0.00 0.00 176.91 177.69 1pma h LEU 87 N -0.36 0.27 -0.81 1.22 4.07 -1.33 -3.22 115.31 115.14 1pma h LEU 87 Ca 0.10 -0.27 -0.04 0.00 0.08 0.00 0.00 57.88 57.76 1pma h LEU 87 Cb 0.53 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 42.16 1pma h LEU 87 CO -0.36 0.47 0.35 -1.13 -1.08 0.00 0.00 178.44 176.68 1pma h ASN 88 N 0.06 1.11 0.00 -0.43 -0.73 -1.34 -2.27 115.58 111.98 1pma h ASN 88 Ca 0.05 -0.16 0.00 0.00 1.87 0.00 0.00 56.30 58.06 1pma h ASN 88 Cb 0.31 -0.29 0.00 0.00 0.27 0.00 0.00 38.32 38.62 1pma h ASN 88 CO 0.00 0.96 0.34 -0.61 -0.37 0.00 0.00 177.43 177.76 1pma h GLN 89 N 1.18 0.00 0.00 6.67 4.15 -1.22 0.10 115.11 125.99 1pma h GLN 89 Ca 0.27 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.63 1pma h GLN 89 Cb 0.19 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 27.73 1pma h GLN 89 CO -0.03 0.00 -0.65 1.55 -1.93 0.00 0.00 178.83 177.77 1pma n VAL 90 N -2.77 1.20 0.02 2.39 3.14 -0.88 -4.85 118.33 116.58 1pma n VAL 90 Ca -0.02 -2.09 0.22 0.00 -2.96 0.00 0.00 64.34 59.49 1pma n VAL 90 Cb 0.38 0.27 0.73 0.00 -1.06 0.00 0.00 33.84 34.16 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 0.83 0.00 -0.00 1.45 2.10 -0.67 0.60 116.57 120.88 1pma h LYS 91 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1pma h LYS 91 Cb 1.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.69 1pma h LYS 91 CO 0.04 0.00 -0.10 0.66 -2.00 0.00 0.00 179.45 178.05 1pma n TYR 92 N -3.87 0.00 -2.98 0.07 4.01 -1.26 -3.68 117.16 109.45 1pma n TYR 92 Ca 0.10 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.70 1pma n TYR 92 Cb 0.71 -0.28 0.02 0.00 -0.31 0.00 0.00 39.34 39.49 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 -1.20 0.97 -1.40 -0.72 2.81 0.10 -5.14 117.12 112.54 1pma n MET 93 Ca 0.12 -2.70 -0.33 0.00 -1.81 0.00 0.00 57.70 52.97 1pma n MET 93 Cb 0.28 -1.39 0.09 0.00 -0.71 0.00 0.00 33.22 31.49 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 -1.13 2.14 -0.60 0.03 0.04 -0.60 -4.91 135.00 129.98 1pma s PRO 94 Ca 0.32 1.63 -0.25 0.00 0.04 0.00 0.00 61.00 62.74 1pma s PRO 94 Cb 0.31 -1.85 0.04 0.00 0.04 0.00 0.00 34.50 33.05 1pma s PRO 94 CO -0.07 -1.80 1.03 0.71 0.04 0.00 0.00 177.00 176.90 1pma s TYR 95 N -2.18 2.68 -1.17 0.56 2.02 -1.26 -4.90 117.35 113.10 1pma s TYR 95 Ca 0.71 -0.03 -0.23 0.00 -0.37 0.00 0.00 57.07 57.15 1pma s TYR 95 Cb -0.26 -4.26 -0.12 0.00 -0.40 0.00 0.00 41.96 36.92 1pma s TYR 95 CO 0.47 -1.53 1.97 -1.33 -1.57 0.00 0.00 175.55 173.55 1pma n MET 96 N 7.92 1.31 -3.90 -0.62 2.81 -1.26 -4.65 117.12 118.73 1pma n MET 96 Ca 0.02 -2.33 -0.09 0.00 -1.81 0.00 0.00 57.70 53.49 1pma n MET 96 Cb 0.48 -3.78 -0.07 0.00 -0.71 0.00 0.00 33.22 29.14 1pma n MET 96 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1pma s VAL 97 N 12.31 0.09 -0.18 2.03 0.11 -1.26 -1.64 120.40 131.86 1pma s VAL 97 Ca 0.71 -1.26 -0.04 0.00 -2.93 0.00 0.00 61.98 58.46 1pma s VAL 97 Cb -0.01 -1.62 0.06 0.00 -1.53 0.00 0.00 36.38 33.27 1pma s VAL 97 CO 0.15 -0.42 0.07 -1.58 -3.33 0.00 0.00 175.10 169.99 1pma s GLN 98 N -3.92 0.27 0.23 1.54 0.74 -0.38 -3.13 119.66 115.01 1pma s GLN 98 Ca 0.12 -0.19 0.05 0.00 0.05 0.00 0.00 55.36 55.39 1pma s GLN 98 Cb 0.04 -1.90 -0.03 0.00 1.10 0.00 0.00 33.01 32.21 1pma s GLN 98 CO -0.05 -0.65 0.31 -0.51 -0.55 0.00 0.00 175.29 173.84 1pma s LEU 99 N 2.04 4.19 -0.05 3.68 1.43 -0.84 -3.36 118.68 125.78 1pma s LEU 99 Ca 0.01 -0.00 -0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1pma s LEU 99 Cb -0.16 -2.73 0.04 0.00 0.03 0.00 0.00 46.19 43.36 1pma s LEU 99 CO -0.08 -0.05 0.09 -0.22 0.23 0.00 0.00 176.35 176.32 1pma s LEU 100 N -3.87 0.47 -0.13 1.79 2.96 -1.09 -1.57 118.68 117.24 1pma s LEU 100 Ca 0.34 0.17 -0.00 0.00 -0.22 0.00 0.00 54.13 54.41 1pma s LEU 100 Cb -0.09 0.07 0.03 0.00 0.50 0.00 0.00 46.19 46.70 1pma s LEU 100 CO 0.28 -0.19 -0.07 0.54 -1.32 0.00 0.00 176.35 175.58 1pma s VAL 101 N 1.69 1.09 0.31 1.68 0.11 -0.40 -0.77 120.40 124.11 1pma s VAL 101 Ca -0.02 -0.43 0.10 0.00 -2.93 0.00 0.00 61.98 58.70 1pma s VAL 101 Cb -0.12 -1.15 -0.06 0.00 -1.53 0.00 0.00 36.38 33.51 1pma s VAL 101 CO -0.04 0.29 -0.13 -0.83 -3.33 0.00 0.00 175.10 171.06 1pma s GLY 102 N 1.67 2.05 0.00 6.54 0.00 -0.89 -0.58 107.32 116.10 1pma s GLY 102 Ca 0.04 -2.00 0.00 0.00 0.00 0.00 0.00 44.72 42.76 1pma s GLY 102 CO -0.08 -1.99 0.00 0.61 0.00 0.00 0.00 173.10 171.64 1pma n GLY 103 N -0.71 -1.13 3.11 0.20 0.00 -0.34 -0.73 105.19 105.59 1pma n GLY 103 Ca -0.05 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.00 -0.57 0.00 -0.61 2.07 -0.88 -0.93 121.20 117.29 1pma s ILE 104 Ca 0.00 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.38 1pma s ILE 104 Cb 0.00 -0.64 0.00 0.00 0.13 0.00 0.00 42.46 41.95 1pma s ILE 104 CO 0.00 0.03 0.00 -0.90 -1.91 0.00 0.00 174.94 172.16 1pma n ASP 105 N 5.37 0.00 0.13 4.50 5.68 -1.26 -4.86 116.55 126.10 1pma n ASP 105 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 1pma n ASP 105 Cb 0.50 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.54 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 1.16 -2.98 2.12 1.03 -2.01 -3.46 112.91 108.77 1pma h THR 106 Ca 0.00 -2.40 -0.07 0.00 -0.01 0.00 0.00 66.41 63.94 1pma h THR 106 Cb 0.00 2.41 -0.16 0.00 -1.07 0.00 0.00 68.15 69.33 1pma h THR 106 CO 0.00 0.61 -0.05 0.00 -0.01 0.00 0.00 175.52 176.07 1pma s ALA 107 N -3.09 -1.11 0.79 0.00 0.00 -1.26 -5.16 121.76 111.93 1pma s ALA 107 Ca 0.02 0.37 -0.14 0.00 0.00 0.00 0.00 51.96 52.21 1pma s ALA 107 Cb 0.09 0.40 0.07 0.00 0.00 0.00 0.00 23.12 23.68 1pma s ALA 107 CO 0.75 -0.49 1.19 -2.30 0.00 0.00 0.00 175.76 174.91 1pma n PRO 108 N 0.40 0.27 -3.58 0.00 -0.02 -1.26 -4.61 135.00 126.20 1pma n PRO 108 Ca -0.18 0.17 -0.14 0.00 -2.02 0.00 0.00 63.50 61.33 1pma n PRO 108 Cb 0.60 -2.43 -0.05 0.00 -0.02 0.00 0.00 33.50 31.60 1pma n PRO 108 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1pma s HIS 109 N -2.05 -0.41 -0.22 6.00 3.76 -0.10 -4.95 115.29 117.33 1pma s HIS 109 Ca 0.74 0.45 -0.08 0.00 -0.15 0.00 0.00 55.06 56.02 1pma s HIS 109 Cb -0.30 0.33 0.10 0.00 1.11 0.00 0.00 32.58 33.81 1pma s HIS 109 CO 0.50 -0.63 0.47 0.54 -0.85 0.00 0.00 174.74 174.76 1pma s VAL 110 N -2.43 -0.68 -0.05 -0.90 0.11 -1.26 -1.20 120.40 113.99 1pma s VAL 110 Ca -0.05 0.13 0.05 0.00 -2.93 0.00 0.00 61.98 59.18 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 -0.02 0.05 -0.20 -0.36 -3.33 0.00 0.00 175.10 171.25 1pma s PHE 111 N 2.60 2.55 -0.25 1.54 0.40 0.25 -2.95 117.98 122.12 1pma s PHE 111 Ca -0.03 -0.40 -0.11 0.00 -0.60 0.00 0.00 56.93 55.79 1pma s PHE 111 Cb -0.12 -1.61 -0.05 0.00 0.51 0.00 0.00 43.02 41.76 1pma s PHE 111 CO -0.14 0.00 0.17 0.45 0.70 0.00 0.00 175.22 176.40 1pma s SER 112 N -0.48 6.06 -0.01 1.36 0.15 -0.06 -1.28 113.70 119.44 1pma s SER 112 Ca 0.06 0.06 0.07 0.00 0.70 0.00 0.00 55.95 56.84 1pma s SER 112 Cb -0.12 -2.10 -0.02 0.00 -1.71 0.00 0.00 66.02 62.07 1pma s SER 112 CO 0.01 0.03 -0.23 -0.63 1.20 0.00 0.00 173.24 173.61 1pma s ILE 113 N 1.30 1.85 0.34 6.45 -1.09 -0.61 -1.69 121.20 127.75 1pma s ILE 113 Ca 0.07 -1.02 0.08 0.00 -2.23 0.00 0.00 60.65 57.55 1pma s ILE 113 Cb -0.14 -1.54 -0.04 0.00 -1.58 0.00 0.00 42.46 39.16 1pma s ILE 113 CO 0.07 0.51 0.18 1.51 -1.23 0.00 0.00 174.94 175.97 1pma s ASP 114 N -0.59 4.85 0.00 3.58 1.47 -0.38 -1.98 116.67 123.62 1pma s ASP 114 Ca 0.09 -0.69 0.00 0.00 1.18 0.00 0.00 52.55 53.13 1pma s ASP 114 Cb -0.09 -0.81 0.00 0.00 -0.34 0.00 0.00 42.92 41.68 1pma s ASP 114 CO -0.01 -0.30 0.83 0.00 0.68 0.00 0.00 175.17 176.37 1pma n ALA 115 N -1.20 0.78 0.43 2.11 0.00 -1.18 -0.37 120.51 121.07 1pma n ALA 115 Ca -0.03 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.50 1pma n ALA 115 Cb 0.61 -0.75 0.12 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.33 2.41 -0.59 0.00 0.00 -1.26 -4.44 120.51 115.30 1pma n ALA 116 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.62 1pma n ALA 116 Cb 0.12 -0.62 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 1.02 0.68 3.68 0.00 0.00 0.50 -3.60 105.19 107.48 1pma n GLY 117 Ca 0.13 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.21 2.06 -0.07 -0.02 0.00 -1.24 -4.67 107.32 101.16 1pma s GLY 118 Ca 0.00 0.33 0.04 0.00 0.00 0.00 0.00 44.72 45.10 1pma s GLY 118 CO 0.00 2.08 -0.20 -0.45 0.00 0.00 0.00 173.10 174.53 1pma s SER 119 N 1.22 2.57 -0.15 1.64 0.15 -1.26 -1.25 113.70 116.63 1pma s SER 119 Ca 0.48 -0.44 -0.12 0.00 0.70 0.00 0.00 55.95 56.57 1pma s SER 119 Cb -0.18 -0.99 0.04 0.00 -1.71 0.00 0.00 66.02 63.18 1pma s SER 119 CO 0.14 0.14 0.38 0.54 1.20 0.00 0.00 173.24 175.64 1pma s VAL 120 N 0.26 -0.01 0.17 4.45 0.11 -0.68 -4.99 120.40 119.71 1pma s VAL 120 Ca -0.12 0.03 -0.05 0.00 -2.93 0.00 0.00 61.98 58.91 1pma s VAL 120 Cb -0.15 -0.54 -0.06 0.00 -1.53 0.00 0.00 36.38 34.11 1pma s VAL 120 CO 0.05 0.01 0.41 -0.70 -3.33 0.00 0.00 175.10 171.54 1pma s GLU 121 N 0.53 3.63 0.04 1.54 2.12 -1.26 -0.88 118.70 124.42 1pma s GLU 121 Ca -0.03 -0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.23 1pma s GLU 121 Cb -0.04 -2.81 -0.00 0.00 0.26 0.00 0.00 34.13 31.53 1pma s GLU 121 CO -0.03 0.43 0.04 -3.47 -0.54 0.00 0.00 175.26 171.69 1pma n ASP 122 N -0.09 -0.12 -0.09 -1.70 -0.08 -1.15 -4.98 116.55 108.34 1pma n ASP 122 Ca -0.02 -1.25 0.11 0.00 -1.51 0.00 0.00 54.79 52.11 1pma n ASP 122 Cb 0.52 0.24 -0.01 0.00 2.34 0.00 0.00 41.12 44.21 1pma n ASP 122 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1pma n ILE 123 N -0.07 0.00 -3.62 5.18 -0.00 -1.26 -4.50 119.36 115.08 1pma n ILE 123 Ca 0.01 -0.04 -0.03 0.00 -0.00 0.00 0.00 62.75 62.68 1pma n ILE 123 Cb 0.07 0.87 -0.03 0.00 -0.00 0.00 0.00 39.64 40.56 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 -2.90 -0.08 -0.16 4.28 1.13 -1.26 -0.44 117.35 117.92 1pma s TYR 124 Ca 0.11 0.09 -0.29 0.00 -1.41 0.00 0.00 57.07 55.57 1pma s TYR 124 Cb 0.17 0.50 0.11 0.00 -1.10 0.00 0.00 41.96 41.64 1pma s TYR 124 CO 0.78 -0.10 0.93 0.00 -2.51 0.00 0.00 175.55 174.64 1pma s ALA 125 N -1.71 -1.90 0.23 9.51 0.00 0.31 -4.98 121.76 123.22 1pma s ALA 125 Ca 0.09 1.61 0.11 0.00 0.00 0.00 0.00 51.96 53.77 1pma s ALA 125 Cb -0.01 -0.72 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 1pma s ALA 125 CO -0.05 -0.31 -0.20 0.45 0.00 0.00 0.00 175.76 175.65 1pma s SER 126 N -0.81 3.31 0.02 0.00 0.15 -1.26 -0.32 113.70 114.77 1pma s SER 126 Ca -0.03 -0.96 -0.03 0.00 0.70 0.00 0.00 55.95 55.64 1pma s SER 126 Cb -0.01 -0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 64.04 1pma s SER 126 CO 0.02 0.03 0.04 0.28 1.20 0.00 0.00 173.24 174.81 1pma s THR 127 N -2.23 0.10 0.00 6.45 -1.32 0.58 -4.93 115.64 114.29 1pma s THR 127 Ca 0.24 -0.86 0.00 0.00 -1.21 0.00 0.00 61.69 59.87 1pma s THR 127 Cb -0.06 -0.39 0.00 0.00 -1.51 0.00 0.00 72.50 70.54 1pma s THR 127 CO 0.11 -0.47 0.00 0.61 -2.21 0.00 0.00 174.62 172.66 1pma n GLY 128 N 1.46 1.28 0.33 6.08 0.00 -1.26 0.09 105.19 113.16 1pma n GLY 128 Ca -0.23 -2.11 0.22 0.00 0.00 0.00 0.00 46.02 43.90 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 0.23 -0.55 1.61 0.87 0.08 0.20 113.55 115.99 1pma h SER 129 Ca 0.00 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1pma h SER 129 Cb 0.00 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1pma h SER 129 CO 0.00 -0.24 0.00 0.61 -0.53 0.00 0.00 176.83 176.67 1pma n GLY 130 N -1.33 2.91 0.26 5.77 0.00 -1.11 -4.70 105.19 107.00 1pma n GLY 130 Ca 0.30 -0.88 0.02 0.00 0.00 0.00 0.00 46.02 45.46 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 3.82 -0.52 0.05 1.61 0.02 -0.84 -2.98 113.55 114.70 1pma h SER 131 Ca 0.00 0.20 0.03 0.00 -0.84 0.00 0.00 61.79 61.17 1pma h SER 131 Cb 1.91 0.38 -0.05 0.00 0.14 0.00 0.00 62.40 64.78 1pma h SER 131 CO 0.47 -0.20 -0.36 -0.65 -1.14 0.00 0.00 176.83 174.95 1pma h PRO 132 N 0.04 -0.52 -0.70 3.45 0.11 -1.84 0.48 132.00 133.02 1pma h PRO 132 Ca 0.35 0.04 0.13 0.00 0.11 0.00 0.00 66.00 66.62 1pma h PRO 132 Cb 0.56 0.12 -0.09 0.00 0.11 0.00 0.00 31.00 31.70 1pma h PRO 132 CO -0.67 -0.35 0.25 0.74 -0.21 0.00 0.00 178.00 177.76 1pma h PHE 133 N -0.54 0.42 -0.32 0.65 0.04 -1.90 0.27 116.94 115.56 1pma h PHE 133 Ca 0.05 0.04 -0.13 0.00 2.80 0.00 0.00 57.97 60.72 1pma h PHE 133 Cb 0.60 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 1pma h PHE 133 CO -0.35 0.04 -0.34 -0.24 -0.60 0.00 0.00 178.31 176.82 1pma h VAL 134 N 0.39 1.28 -0.28 -0.55 3.04 -1.43 -2.74 116.25 115.97 1pma h VAL 134 Ca 0.38 -1.50 0.00 0.00 -1.01 0.00 0.00 66.70 64.58 1pma h VAL 134 Cb 0.56 1.40 -0.01 0.00 -2.01 0.00 0.00 31.29 31.23 1pma h VAL 134 CO -0.39 0.49 0.19 1.88 -1.01 0.00 0.00 177.57 178.72 1pma h TYR 135 N 0.61 0.35 0.59 3.17 0.05 0.17 0.18 116.97 122.09 1pma h TYR 135 Ca 0.06 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.82 1pma h TYR 135 Cb 0.87 -0.12 0.01 0.00 1.01 0.00 0.00 36.73 38.50 1pma h TYR 135 CO 0.04 0.22 -0.29 0.78 -1.05 0.00 0.00 178.16 177.87 1pma h GLY 136 N 0.38 -0.83 1.85 3.88 0.00 -0.33 -0.27 103.07 107.74 1pma h GLY 136 Ca 0.10 0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.74 1pma h GLY 136 CO -0.02 -0.30 0.08 -0.39 0.00 0.00 0.00 176.54 175.90 1pma h VAL 137 N -0.92 1.05 -0.18 4.60 -1.51 -1.34 0.18 116.25 118.13 1pma h VAL 137 Ca -0.08 -0.15 -0.04 0.00 -1.23 0.00 0.00 66.70 65.20 1pma h VAL 137 Cb 0.61 0.86 -0.01 0.00 -2.13 0.00 0.00 31.29 30.62 1pma h VAL 137 CO 0.13 0.06 -0.03 0.25 -1.23 0.00 0.00 177.57 176.75 1pma h LEU 138 N 0.21 0.34 -1.34 4.19 5.85 -0.95 0.89 115.31 124.50 1pma h LEU 138 Ca 0.06 -0.36 -0.06 0.00 0.84 0.00 0.00 57.88 58.36 1pma h LEU 138 Cb 0.02 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1pma h LEU 138 CO -0.01 0.62 -0.20 -0.08 -0.34 0.00 0.00 178.44 178.43 1pma h GLU 139 N 0.06 0.19 0.12 1.25 4.57 -0.10 0.15 114.58 120.82 1pma h GLU 139 Ca 0.05 -0.05 -0.29 0.00 -1.18 0.00 0.00 59.36 57.89 1pma h GLU 139 Cb 0.46 -0.02 0.02 0.00 -0.16 0.00 0.00 28.75 29.05 1pma h GLU 139 CO 0.02 0.39 -1.23 1.03 -1.18 0.00 0.00 179.01 178.04 1pma h SER 140 N 0.18 0.68 0.00 1.04 0.87 -0.46 -3.41 113.55 112.46 1pma h SER 140 Ca 0.03 -0.66 0.00 0.00 -1.23 0.00 0.00 61.79 59.94 1pma h SER 140 Cb 0.46 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1pma h SER 140 CO 0.03 1.48 0.00 0.00 -0.53 0.00 0.00 176.83 177.82 1pma n GLN 141 N -3.70 0.06 -2.50 2.24 6.02 0.29 -5.06 117.38 114.73 1pma n GLN 141 Ca -0.11 -0.61 -0.41 0.00 -0.01 0.00 0.00 57.00 55.86 1pma n GLN 141 Cb 0.99 -0.87 -0.04 0.00 1.02 0.00 0.00 30.24 31.34 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 -0.20 3.59 -0.06 1.08 5.04 0.51 -5.03 117.35 122.28 1pma s TYR 142 Ca 0.00 1.61 -0.02 0.00 -2.44 0.00 0.00 57.07 56.21 1pma s TYR 142 Cb 0.00 -3.28 0.04 0.00 0.35 0.00 0.00 41.96 39.07 1pma s TYR 142 CO 0.00 -0.63 0.12 0.45 -1.34 0.00 0.00 175.55 174.16 1pma s SER 143 N -0.22 0.23 0.51 4.32 0.15 -1.26 -4.98 113.70 112.45 1pma s SER 143 Ca 0.49 0.25 0.30 0.00 0.70 0.00 0.00 55.95 57.69 1pma s SER 143 Cb -0.30 0.14 1.65 0.00 -1.71 0.00 0.00 66.02 65.80 1pma s SER 143 CO 0.36 -0.18 1.91 1.05 1.20 0.00 0.00 173.24 177.58 1pma h GLU 144 N 7.63 0.00 -0.76 5.44 -0.00 -1.96 -0.56 114.58 124.37 1pma h GLU 144 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.02 1pma h GLU 144 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.88 1pma h GLU 144 CO 0.34 0.00 0.00 1.63 -0.00 0.00 0.00 179.01 180.98 1pma n LYS 145 N -2.64 2.48 -2.92 1.06 5.02 -1.26 -4.18 118.16 115.72 1pma n LYS 145 Ca -0.02 -1.26 -0.31 0.00 -2.02 0.00 0.00 58.31 54.70 1pma n LYS 145 Cb 0.16 -1.74 -0.04 0.00 -0.02 0.00 0.00 35.03 33.38 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 -1.70 3.83 0.46 1.97 -1.94 -0.22 -5.07 119.30 116.62 1pma s MET 146 Ca 0.22 0.52 -0.04 0.00 -1.71 0.00 0.00 55.69 54.67 1pma s MET 146 Cb 0.16 -2.40 -0.04 0.00 2.01 0.00 0.00 34.83 34.57 1pma s MET 146 CO 0.07 0.01 0.75 0.95 -0.01 0.00 0.00 175.02 176.80 1pma s THR 147 N -2.28 4.94 0.55 2.05 -4.23 -1.26 -4.71 115.64 110.70 1pma s THR 147 Ca 0.52 0.11 0.25 0.00 -1.18 0.00 0.00 61.69 61.39 1pma s THR 147 Cb -0.10 -3.87 0.36 0.00 1.34 0.00 0.00 72.50 70.23 1pma s THR 147 CO 0.28 -0.81 2.06 1.62 -0.54 0.00 0.00 174.62 177.23 1pma h VAL 148 N 0.29 0.67 0.23 2.29 3.04 -1.97 0.12 116.25 120.93 1pma h VAL 148 Ca -0.47 0.00 -0.32 0.00 -1.01 0.00 0.00 66.70 64.90 1pma h VAL 148 Cb 1.21 0.82 0.04 0.00 -2.01 0.00 0.00 31.29 31.34 1pma h VAL 148 CO 0.62 0.00 -1.38 -0.78 -1.01 0.00 0.00 177.57 175.01 1pma h ASP 149 N 0.00 0.81 -0.70 3.17 1.82 -2.01 -2.85 116.42 116.66 1pma h ASP 149 Ca 0.14 -0.92 0.01 0.00 -0.39 0.00 0.00 57.03 55.87 1pma h ASP 149 Cb 0.63 -0.26 -0.04 0.00 0.68 0.00 0.00 39.33 40.35 1pma h ASP 149 CO -0.00 1.67 0.46 -0.33 -1.61 0.00 0.00 179.24 179.43 1pma h GLU 150 N 0.09 0.92 0.16 0.28 5.08 -1.35 -2.87 114.58 116.89 1pma h GLU 150 Ca -0.24 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.08 1pma h GLU 150 Cb 2.09 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 31.09 1pma h GLU 150 CO 0.26 0.61 -0.42 0.78 -1.00 0.00 0.00 179.01 179.24 1pma h GLY 151 N 0.94 -0.88 -0.22 -3.84 0.00 -0.88 -1.26 103.07 96.94 1pma h GLY 151 Ca 0.26 0.50 0.27 0.00 0.00 0.00 0.00 47.33 48.36 1pma h GLY 151 CO -0.06 -0.28 0.61 -0.24 0.00 0.00 0.00 176.54 176.58 1pma h VAL 152 N -0.68 0.49 0.53 4.60 3.04 -1.29 0.13 116.25 123.07 1pma h VAL 152 Ca 0.01 -0.17 -0.03 0.00 -1.01 0.00 0.00 66.70 65.50 1pma h VAL 152 Cb 0.69 -0.05 0.01 0.00 -2.01 0.00 0.00 31.29 29.93 1pma h VAL 152 CO -0.22 0.09 -0.26 0.44 -1.01 0.00 0.00 177.57 176.62 1pma h ASP 153 N 0.50 -0.60 -0.82 3.17 5.19 -1.17 -1.88 116.42 120.80 1pma h ASP 153 Ca 0.65 -0.05 0.16 0.00 -0.62 0.00 0.00 57.03 57.17 1pma h ASP 153 Cb 1.38 0.16 -0.15 0.00 0.18 0.00 0.00 39.33 40.89 1pma h ASP 153 CO -0.46 -0.23 -0.24 0.25 -3.12 0.00 0.00 179.24 175.43 1pma h LEU 154 N -1.03 -0.90 -0.19 1.55 5.85 0.08 0.39 115.31 121.05 1pma h LEU 154 Ca -0.07 0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1pma h LEU 154 Cb 0.62 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 1pma h LEU 154 CO 0.12 -0.28 0.01 0.58 -0.34 0.00 0.00 178.44 178.53 1pma h VAL 155 N -0.02 0.87 -0.65 1.05 2.07 -1.10 0.40 116.25 118.87 1pma h VAL 155 Ca 0.38 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.94 1pma h VAL 155 Cb 0.60 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 1pma h VAL 155 CO -0.85 0.01 0.34 0.40 0.02 0.00 0.00 177.57 177.49 1pma h ILE 156 N 0.07 0.92 0.83 4.57 2.04 0.48 -0.98 117.51 125.43 1pma h ILE 156 Ca 0.09 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1pma h ILE 156 Cb 0.11 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1pma h ILE 156 CO -0.15 0.11 -0.43 0.03 0.00 0.00 0.00 178.15 177.72 1pma h ARG 157 N 0.61 -1.11 -0.75 2.37 3.08 0.34 0.00 114.38 118.91 1pma h ARG 157 Ca 0.30 0.08 0.10 0.00 0.07 0.00 0.00 59.98 60.53 1pma h ARG 157 Cb 0.25 0.25 -0.12 0.00 0.08 0.00 0.00 29.97 30.43 1pma h ARG 157 CO -0.21 -0.74 -0.45 0.00 -1.07 0.00 0.00 179.97 177.49 1pma h ALA 158 N -1.01 -0.25 -0.55 0.04 0.00 0.25 0.15 119.26 117.89 1pma h ALA 158 Ca -0.11 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1pma h ALA 158 Cb 0.90 1.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.71 1pma h ALA 158 CO 0.16 -0.80 0.29 0.82 0.00 0.00 0.00 179.25 179.72 1pma h ILE 159 N -0.13 1.19 -0.63 0.00 2.04 -1.10 -1.43 117.51 117.45 1pma h ILE 159 Ca 0.22 -0.51 0.08 0.00 1.00 0.00 0.00 64.86 65.65 1pma h ILE 159 Cb 0.54 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 1pma h ILE 159 CO -0.81 0.21 0.29 0.28 0.00 0.00 0.00 178.15 178.13 1pma h SER 160 N 0.74 0.37 0.42 1.72 0.02 0.10 0.15 113.55 117.08 1pma h SER 160 Ca 0.19 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1pma h SER 160 Cb 0.08 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1pma h SER 160 CO -0.03 0.23 -0.26 0.00 -1.14 0.00 0.00 176.83 175.63 1pma h ALA 161 N 1.38 -0.66 -0.49 3.77 0.00 -0.08 -1.04 119.26 122.15 1pma h ALA 161 Ca 0.30 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.18 1pma h ALA 161 Cb 0.30 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1pma h ALA 161 CO -0.25 -0.88 0.33 0.00 0.00 0.00 0.00 179.25 178.45 1pma h ALA 162 N -0.12 2.12 -0.56 0.00 0.00 -0.77 -0.09 119.26 119.85 1pma h ALA 162 Ca -0.05 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1pma h ALA 162 Cb 0.54 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1pma h ALA 162 CO 0.05 -0.23 0.37 0.87 0.00 0.00 0.00 179.25 180.30 1pma h LYS 163 N 0.26 0.71 -0.35 0.00 1.57 0.61 0.64 116.57 120.01 1pma h LYS 163 Ca 0.23 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.80 1pma h LYS 163 Cb 0.55 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1pma h LYS 163 CO -0.05 0.47 -0.42 1.96 -0.57 0.00 0.00 179.45 180.84 1pma h GLN 164 N 0.73 0.89 -0.33 3.15 1.08 -0.51 -3.28 115.11 116.83 1pma h GLN 164 Ca 0.21 -0.49 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 1pma h GLN 164 Cb -0.05 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1pma h GLN 164 CO -0.05 1.13 0.00 0.54 -0.95 0.00 0.00 178.83 179.50 1pma n ARG 165 N -4.04 2.44 -3.64 1.46 3.00 -1.03 -4.85 116.66 109.99 1pma n ARG 165 Ca -0.03 -2.21 -0.29 0.00 -0.01 0.00 0.00 57.85 55.31 1pma n ARG 165 Cb 0.56 -1.49 -0.15 0.00 0.00 0.00 0.00 32.46 31.38 1pma n ARG 165 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1pma s ASP 166 N -1.51 3.63 0.64 0.55 2.15 0.19 -4.98 116.67 117.34 1pma s ASP 166 Ca 0.36 -1.36 0.39 0.00 0.43 0.00 0.00 52.55 52.37 1pma s ASP 166 Cb 0.22 -0.58 2.12 0.00 -0.30 0.00 0.00 42.92 44.38 1pma s ASP 166 CO 0.30 -0.41 2.19 0.77 -0.17 0.00 0.00 175.17 177.85 1pma h SER 167 N 8.26 0.00 1.00 -0.34 4.64 -1.86 0.14 113.55 125.39 1pma h SER 167 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1pma h SER 167 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1pma h SER 167 CO 0.44 0.00 -0.12 0.00 -0.87 0.00 0.00 176.83 176.28 1pma n ALA 168 N -2.00 2.56 -2.67 5.18 0.00 -1.26 -4.82 120.51 117.50 1pma n ALA 168 Ca -0.03 -0.14 -0.28 0.00 0.00 0.00 0.00 53.44 53.00 1pma n ALA 168 Cb 0.15 -1.39 -0.08 0.00 0.00 0.00 0.00 19.45 18.13 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 -3.37 4.85 0.00 0.00 0.01 0.47 -0.26 113.70 115.41 1pma s SER 169 Ca 0.12 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.08 1pma s SER 169 Cb 0.17 -1.08 0.00 0.00 0.21 0.00 0.00 66.02 65.32 1pma s SER 169 CO 0.58 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.97 1pma n GLY 170 N 0.20 -1.76 5.64 3.44 0.00 -1.26 -4.87 105.19 106.58 1pma n GLY 170 Ca -0.10 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.95 3.70 -0.02 0.00 -1.26 -1.64 105.19 103.71 1pma n GLY 171 Ca 0.00 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 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 4.32 -0.05 1.61 -2.45 -1.26 -4.69 119.30 116.78 1pma s MET 172 Ca 0.00 1.96 -0.24 0.00 -1.25 0.00 0.00 55.69 56.16 1pma s MET 172 Cb 0.00 -3.42 -0.04 0.00 1.25 0.00 0.00 34.83 32.63 1pma s MET 172 CO 0.00 -0.47 0.73 -1.50 1.05 0.00 0.00 175.02 174.83 1pma s ILE 173 N 1.69 5.02 -0.03 10.11 -1.16 -1.26 -3.65 121.20 131.92 1pma s ILE 173 Ca 0.63 1.51 0.05 0.00 -0.51 0.00 0.00 60.65 62.33 1pma s ILE 173 Cb -0.33 -4.07 -0.01 0.00 0.61 0.00 0.00 42.46 38.66 1pma s ILE 173 CO 0.28 0.25 -0.17 1.51 -2.81 0.00 0.00 174.94 174.00 1pma s ASP 174 N 0.77 2.12 0.21 4.50 1.47 -0.45 -4.89 116.67 120.40 1pma s ASP 174 Ca 0.39 -0.34 0.11 0.00 1.18 0.00 0.00 52.55 53.89 1pma s ASP 174 Cb -0.18 -0.43 -0.05 0.00 -0.34 0.00 0.00 42.92 41.92 1pma s ASP 174 CO 0.19 0.18 -0.21 0.54 0.68 0.00 0.00 175.17 176.55 1pma s VAL 175 N -0.16 2.22 -0.01 2.11 0.11 -1.26 -2.24 120.40 121.17 1pma s VAL 175 Ca 0.01 -2.12 0.01 0.00 -2.93 0.00 0.00 61.98 56.95 1pma s VAL 175 Cb -0.09 -2.10 0.01 0.00 -1.53 0.00 0.00 36.38 32.66 1pma s VAL 175 CO 0.01 -0.27 -0.02 0.00 -3.33 0.00 0.00 175.10 171.50 1pma s ALA 176 N -2.06 0.23 0.03 1.54 0.00 0.15 -1.85 121.76 119.79 1pma s ALA 176 Ca 0.22 -0.02 0.08 0.00 0.00 0.00 0.00 51.96 52.24 1pma s ALA 176 Cb -0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1pma s ALA 176 CO 0.10 0.01 -0.22 0.54 0.00 0.00 0.00 175.76 176.19 1pma s VAL 177 N 0.26 2.46 -0.07 0.00 0.11 -0.31 -0.73 120.40 122.12 1pma s VAL 177 Ca -0.02 -1.23 0.01 0.00 -2.93 0.00 0.00 61.98 57.80 1pma s VAL 177 Cb -0.05 -1.98 0.02 0.00 -1.53 0.00 0.00 36.38 32.84 1pma s VAL 177 CO -0.01 0.39 -0.08 -0.51 -3.33 0.00 0.00 175.10 171.56 1pma s ILE 178 N -0.83 0.91 0.10 7.04 2.07 0.74 -1.09 121.20 130.15 1pma s ILE 178 Ca 0.13 -0.30 0.02 0.00 -1.41 0.00 0.00 60.65 59.08 1pma s ILE 178 Cb -0.10 -0.89 -0.04 0.00 0.13 0.00 0.00 42.46 41.56 1pma s ILE 178 CO 0.03 0.32 -0.07 0.28 -1.91 0.00 0.00 174.94 173.59 1pma s THR 179 N 1.07 0.71 0.24 4.00 -1.32 -0.99 -1.73 115.64 117.63 1pma s THR 179 Ca -0.07 -1.87 -0.03 0.00 -1.21 0.00 0.00 61.69 58.51 1pma s THR 179 Cb -0.14 -1.60 0.10 0.00 -1.51 0.00 0.00 72.50 69.35 1pma s THR 179 CO -0.01 -0.82 1.72 -0.09 -2.21 0.00 0.00 174.62 173.21 1pma h ARG 180 N 3.09 0.83 0.24 7.08 9.65 -1.87 0.40 114.38 133.81 1pma h ARG 180 Ca -0.35 -0.24 -0.01 0.00 -1.10 0.00 0.00 59.98 58.27 1pma h ARG 180 Cb 1.17 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.66 1pma h ARG 180 CO 0.62 0.85 -0.15 -0.22 2.80 0.00 0.00 179.97 183.87 1pma h LYS 181 N 0.77 -0.36 0.00 0.20 1.63 -1.97 -3.32 116.57 113.52 1pma h LYS 181 Ca 0.14 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1pma h LYS 181 Cb 0.51 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 1pma h LYS 181 CO 0.03 -0.24 -0.67 -0.25 -3.45 0.00 0.00 179.45 174.87 1pma n ASP 182 N -3.18 0.60 0.00 4.20 8.00 -1.24 -5.07 116.55 119.86 1pma n ASP 182 Ca -0.05 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.21 1pma n ASP 182 Cb 0.16 0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 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 1.45 -1.75 3.65 0.44 0.00 0.14 -4.74 105.19 104.38 1pma n GLY 183 Ca 0.04 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 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 2.92 -0.10 1.61 6.14 -1.20 -2.35 117.35 124.37 1pma s TYR 184 Ca 0.00 1.07 0.01 0.00 0.64 0.00 0.00 57.07 58.78 1pma s TYR 184 Cb 0.00 -3.61 0.02 0.00 0.42 0.00 0.00 41.96 38.79 1pma s TYR 184 CO 0.00 -1.39 -0.10 0.54 0.64 0.00 0.00 175.55 175.24 1pma s VAL 185 N 3.73 1.14 -0.23 3.14 0.11 -0.25 -5.00 120.40 123.03 1pma s VAL 185 Ca 0.52 -0.41 -0.17 0.00 -2.93 0.00 0.00 61.98 58.99 1pma s VAL 185 Cb -0.18 -1.09 -0.03 0.00 -1.53 0.00 0.00 36.38 33.55 1pma s VAL 185 CO 0.16 0.37 0.47 -1.58 -3.33 0.00 0.00 175.10 171.19 1pma s GLN 186 N 1.24 4.11 0.50 1.54 0.74 -1.26 -1.16 119.66 125.37 1pma s GLN 186 Ca -0.03 0.28 -0.23 0.00 0.05 0.00 0.00 55.36 55.42 1pma s GLN 186 Cb -0.14 -3.60 -0.06 0.00 1.10 0.00 0.00 33.01 30.30 1pma s GLN 186 CO -0.03 -0.22 1.37 -0.51 -0.55 0.00 0.00 175.29 175.34 1pma s LEU 187 N 1.89 3.97 0.11 3.68 1.02 -0.77 -4.94 118.68 123.63 1pma s LEU 187 Ca 0.21 2.79 -0.31 0.00 0.02 0.00 0.00 54.13 56.84 1pma s LEU 187 Cb -0.15 -4.14 -0.09 0.00 0.02 0.00 0.00 46.19 41.83 1pma s LEU 187 CO 0.09 -1.37 1.55 -2.84 0.02 0.00 0.00 176.35 173.80 1pma s PRO 188 N -2.71 4.23 0.23 1.29 0.02 -1.26 -4.79 135.00 132.01 1pma s PRO 188 Ca 0.67 2.27 -0.13 0.00 0.02 0.00 0.00 61.00 63.83 1pma s PRO 188 Cb -0.41 -3.35 0.28 0.00 0.02 0.00 0.00 34.50 31.05 1pma s PRO 188 CO 0.50 -0.62 1.43 -2.37 -0.33 0.00 0.00 177.00 175.61 1pma n THR 189 N 4.27 -0.45 -0.09 0.99 5.66 -1.26 -0.36 114.28 123.04 1pma n THR 189 Ca 0.14 2.14 -0.07 0.00 -3.05 0.00 0.00 64.05 63.22 1pma n THR 189 Cb 0.40 -2.87 0.00 0.00 -1.55 0.00 0.00 70.33 66.32 1pma n THR 189 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 1pma h ASP 190 N 0.00 -0.01 -0.99 1.09 3.04 -1.99 -1.39 116.42 116.17 1pma h ASP 190 Ca 0.36 0.05 0.14 0.00 -3.24 0.00 0.00 57.03 54.34 1pma h ASP 190 Cb 0.59 0.08 -0.09 0.00 -1.04 0.00 0.00 39.33 38.87 1pma h ASP 190 CO -0.92 0.03 0.61 -0.61 -2.04 0.00 0.00 179.24 176.31 1pma h GLN 191 N 0.16 0.89 0.38 4.15 4.15 -1.08 0.49 115.11 124.24 1pma h GLN 191 Ca 0.15 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 1pma h GLN 191 Cb 0.17 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.66 1pma h GLN 191 CO -0.20 0.59 -0.18 0.82 -1.93 0.00 0.00 178.83 177.93 1pma h ILE 192 N 0.92 0.58 -0.03 2.39 2.04 -0.94 -2.10 117.51 120.37 1pma h ILE 192 Ca 0.51 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1pma h ILE 192 Cb 0.58 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1pma h ILE 192 CO -0.30 0.09 0.03 1.05 0.00 0.00 0.00 178.15 179.02 1pma h GLU 193 N -0.82 0.00 0.56 2.37 4.11 -0.17 -0.78 114.58 119.84 1pma h GLU 193 Ca -0.05 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.35 1pma h GLU 193 Cb 0.53 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.79 1pma h GLU 193 CO 0.08 0.00 -0.27 1.03 0.07 0.00 0.00 179.01 179.92 1pma h SER 194 N 0.00 -0.64 -0.93 3.06 0.87 0.16 -2.18 113.55 113.89 1pma h SER 194 Ca 0.01 -0.03 0.16 0.00 -1.23 0.00 0.00 61.79 60.70 1pma h SER 194 Cb 0.07 0.17 -0.08 0.00 -0.44 0.00 0.00 62.40 62.11 1pma h SER 194 CO -0.00 -0.35 0.59 0.03 -0.53 0.00 0.00 176.83 176.57 1pma h ARG 195 N -0.91 0.69 0.57 2.24 3.08 -0.48 -0.61 114.38 118.97 1pma h ARG 195 Ca -0.08 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1pma h ARG 195 Cb 0.63 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1pma h ARG 195 CO 0.13 0.46 -0.49 0.82 -1.07 0.00 0.00 179.97 179.81 1pma h ILE 196 N 0.71 0.03 -0.28 2.04 2.04 -1.09 0.21 117.51 121.17 1pma h ILE 196 Ca 0.48 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.41 1pma h ILE 196 Cb 0.79 0.03 -0.08 0.00 -0.74 0.00 0.00 36.82 36.82 1pma h ILE 196 CO -0.24 0.00 -0.26 -0.09 0.00 0.00 0.00 178.15 177.55 1pma h ARG 197 N -1.05 -0.24 -0.64 2.37 2.43 -0.67 -0.75 114.38 115.83 1pma h ARG 197 Ca -0.07 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.22 1pma h ARG 197 Cb 0.89 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 30.42 1pma h ARG 197 CO -0.02 -0.16 0.23 -0.22 -1.51 0.00 0.00 179.97 178.29 1pma h LYS 198 N -0.25 0.38 0.00 0.20 3.64 -0.97 0.14 116.57 119.72 1pma h LYS 198 Ca 0.15 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1pma h LYS 198 Cb 0.48 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1pma h LYS 198 CO -0.43 0.25 0.00 1.28 -2.27 0.00 0.00 179.45 178.29 1pma n LEU 199 N -5.02 0.00 -0.64 5.20 4.77 0.71 -4.85 117.00 117.18 1pma n LEU 199 Ca 0.10 0.50 -0.07 0.00 -0.03 0.00 0.00 56.01 56.51 1pma n LEU 199 Cb 0.31 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 1pma n LEU 199 CO 0.20 -0.22 -0.08 0.61 -1.33 0.00 0.00 177.39 176.58 1pma n GLY 200 N 0.15 0.57 0.00 -0.72 0.00 0.49 -5.03 105.19 100.65 1pma n GLY 200 Ca 0.04 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.87 0.00 -3.74 0.99 4.32 -0.63 -5.02 117.00 112.04 1pma n LEU 201 Ca -0.07 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.78 1pma n LEU 201 Cb 0.37 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.08 1pma n LEU 201 CO 0.10 -0.31 0.05 -0.51 -1.22 0.00 0.00 177.39 175.50 1pma s ILE 202 N 0.00 0.05 0.00 -0.08 2.07 -1.26 -4.69 121.20 117.29 1pma s ILE 202 Ca 0.00 -0.39 0.00 0.00 -1.41 0.00 0.00 60.65 58.85 1pma s ILE 202 Cb 0.00 -0.63 0.00 0.00 0.13 0.00 0.00 42.46 41.96 1pma s ILE 202 CO 0.00 -0.21 0.00 -0.11 -1.91 0.00 0.00 174.94 172.71