#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pma s THR 2 N 0.00 -0.08 0.22 1.09 -1.32 -1.26 0.71 115.64 114.99 1pma s THR 2 Ca 0.00 0.15 0.09 0.00 -1.21 0.00 0.00 61.69 60.72 1pma s THR 2 Cb 0.00 -0.45 -0.05 0.00 -1.51 0.00 0.00 72.50 70.49 1pma s THR 2 CO 0.00 0.06 -0.16 0.42 -2.21 0.00 0.00 174.62 172.73 1pma s THR 3 N 1.43 1.94 -0.28 5.08 -4.23 0.77 -2.61 115.64 117.74 1pma s THR 3 Ca -0.08 -2.21 -0.20 0.00 -1.18 0.00 0.00 61.69 58.01 1pma s THR 3 Cb -0.10 -2.08 0.08 0.00 1.34 0.00 0.00 72.50 71.74 1pma s THR 3 CO -0.10 -0.50 0.72 0.54 -0.54 0.00 0.00 174.62 174.74 1pma s VAL 4 N -2.71 0.00 0.01 2.29 0.11 -0.18 -0.63 120.40 119.29 1pma s VAL 4 Ca 0.23 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.36 1pma s VAL 4 Cb -0.03 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.80 1pma s VAL 4 CO 0.09 0.00 -0.22 -0.83 -3.33 0.00 0.00 175.10 170.81 1pma s GLY 5 N 1.03 1.43 -0.02 6.54 0.00 0.49 -1.63 107.32 115.15 1pma s GLY 5 Ca -0.05 -1.16 -0.01 0.00 0.00 0.00 0.00 44.72 43.51 1pma s GLY 5 CO -0.10 -1.00 0.05 -1.50 0.00 0.00 0.00 173.10 170.54 1pma s ILE 6 N -0.77 -0.03 -0.13 0.90 2.07 -0.36 -0.66 121.20 122.22 1pma s ILE 6 Ca 0.12 0.12 -0.08 0.00 -1.41 0.00 0.00 60.65 59.40 1pma s ILE 6 Cb -0.10 -0.09 -0.04 0.00 0.13 0.00 0.00 42.46 42.35 1pma s ILE 6 CO 0.02 0.05 0.15 -0.89 -1.91 0.00 0.00 174.94 172.36 1pma s THR 7 N 0.66 5.47 -0.22 4.00 2.01 0.17 -1.96 115.64 125.77 1pma s THR 7 Ca -0.05 0.24 -0.19 0.00 0.31 0.00 0.00 61.69 61.99 1pma s THR 7 Cb -0.08 -3.43 0.06 0.00 0.01 0.00 0.00 72.50 69.06 1pma s THR 7 CO -0.02 0.58 0.57 -1.48 -0.69 0.00 0.00 174.62 173.58 1pma s LEU 8 N -0.73 -0.21 0.00 4.42 0.05 -0.81 -4.86 118.68 116.54 1pma s LEU 8 Ca 0.14 1.16 0.00 0.00 0.05 0.00 0.00 54.13 55.48 1pma s LEU 8 Cb -0.12 1.96 0.00 0.00 -2.05 0.00 0.00 46.19 45.98 1pma s LEU 8 CO 0.03 -0.20 0.00 1.17 -0.55 0.00 0.00 176.35 176.80 1pma n LYS 9 N 2.88 0.00 -2.29 1.48 3.00 -1.26 -0.51 118.16 121.46 1pma n LYS 9 Ca -0.14 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 57.99 1pma n LYS 9 Cb 0.56 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.62 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 0.42 3.95 -3.61 3.14 8.00 -1.26 -4.78 116.55 122.41 1pma n ASP 10 Ca 0.00 -3.28 -0.06 0.00 0.71 0.00 0.00 54.79 52.16 1pma n ASP 10 Cb 0.00 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 40.69 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 -3.63 -1.81 -0.03 2.24 0.00 0.34 -4.47 121.76 114.41 1pma s ALA 11 Ca 0.44 0.71 0.03 0.00 0.00 0.00 0.00 51.96 53.13 1pma s ALA 11 Cb 0.39 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.97 1pma s ALA 11 CO -0.00 -0.83 -0.09 0.54 0.00 0.00 0.00 175.76 175.37 1pma s VAL 12 N -3.09 0.79 -0.09 0.00 0.11 -0.58 -1.92 120.40 115.63 1pma s VAL 12 Ca 0.08 -0.37 0.04 0.00 -2.93 0.00 0.00 61.98 58.80 1pma s VAL 12 Cb -0.01 -0.71 0.00 0.00 -1.53 0.00 0.00 36.38 34.14 1pma s VAL 12 CO -0.04 0.25 -0.22 -0.63 -3.33 0.00 0.00 175.10 171.13 1pma s ILE 13 N 0.17 1.86 -0.02 7.04 1.01 -0.83 -0.33 121.20 130.09 1pma s ILE 13 Ca -0.03 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.75 1pma s ILE 13 Cb -0.08 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 1pma s ILE 13 CO 0.00 0.52 -0.15 -0.04 0.00 0.00 0.00 174.94 175.27 1pma s MET 14 N 0.32 1.39 0.04 2.79 -1.94 -0.15 -1.22 119.30 120.53 1pma s MET 14 Ca -0.16 -0.55 -0.19 0.00 -1.71 0.00 0.00 55.69 53.09 1pma s MET 14 Cb -0.17 -1.29 0.04 0.00 2.01 0.00 0.00 34.83 35.42 1pma s MET 14 CO 0.07 0.28 0.43 0.00 -0.01 0.00 0.00 175.02 175.79 1pma s ALA 15 N -0.17 -1.06 0.21 3.03 0.00 -0.65 -0.74 121.76 122.38 1pma s ALA 15 Ca 0.02 0.36 -0.09 0.00 0.00 0.00 0.00 51.96 52.26 1pma s ALA 15 Cb -0.08 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.37 1pma s ALA 15 CO 0.00 -0.46 0.33 0.95 0.00 0.00 0.00 175.76 176.59 1pma s THR 16 N -2.44 0.02 0.14 0.00 -4.23 -0.81 -1.01 115.64 107.31 1pma s THR 16 Ca -0.05 -1.57 0.02 0.00 -1.18 0.00 0.00 61.69 58.91 1pma s THR 16 Cb -0.01 -2.19 0.02 0.00 1.34 0.00 0.00 72.50 71.66 1pma s THR 16 CO -0.02 -0.08 0.16 -1.84 -0.54 0.00 0.00 174.62 172.30 1pma n GLU 17 N -0.31 1.07 -2.78 3.99 -0.00 -1.07 -0.80 120.64 120.73 1pma n GLU 17 Ca -0.02 -0.82 -0.01 0.00 -0.00 0.00 0.00 57.16 56.31 1pma n GLU 17 Cb 0.63 0.00 0.07 0.00 -0.00 0.00 0.00 31.44 32.15 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 -1.11 1.58 -3.31 3.44 1.85 -0.65 -4.69 116.66 113.77 1pma n ARG 18 Ca 0.02 -2.81 -0.38 0.00 -1.00 0.00 0.00 57.85 53.68 1pma n ARG 18 Cb 0.15 -0.98 -0.07 0.00 -1.05 0.00 0.00 32.46 30.52 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 -2.57 4.24 -0.18 2.89 3.52 -0.73 -1.38 118.95 124.74 1pma s ARG 19 Ca 0.22 0.37 -0.02 0.00 -0.13 0.00 0.00 55.73 56.17 1pma s ARG 19 Cb 0.37 -3.51 -0.01 0.00 -1.56 0.00 0.00 34.95 30.23 1pma s ARG 19 CO -0.06 -0.01 -0.08 0.54 -0.81 0.00 0.00 175.30 174.88 1pma s VAL 20 N 1.19 3.29 0.28 7.11 0.11 0.19 -4.64 120.40 127.94 1pma s VAL 20 Ca 0.23 -0.55 0.07 0.00 -2.93 0.00 0.00 61.98 58.81 1pma s VAL 20 Cb -0.15 -2.45 -0.06 0.00 -1.53 0.00 0.00 36.38 32.19 1pma s VAL 20 CO 0.09 0.47 -0.08 0.28 -3.33 0.00 0.00 175.10 172.53 1pma s THR 21 N 0.92 1.78 -0.59 5.04 -1.32 -1.26 -1.82 115.64 118.39 1pma s THR 21 Ca -0.01 -2.16 0.04 0.00 -1.21 0.00 0.00 61.69 58.34 1pma s THR 21 Cb -0.15 -2.41 0.15 0.00 -1.51 0.00 0.00 72.50 68.58 1pma s THR 21 CO 0.00 -0.33 0.38 -0.32 -2.21 0.00 0.00 174.62 172.14 1pma s MET 22 N -3.69 2.04 5.65 7.08 -2.45 0.45 -4.88 119.30 123.49 1pma s MET 22 Ca 0.29 -2.85 0.00 0.00 -1.25 0.00 0.00 55.69 51.88 1pma s MET 22 Cb 0.02 -3.09 0.00 0.00 1.25 0.00 0.00 34.83 33.02 1pma s MET 22 CO 0.12 -1.22 0.00 0.39 1.05 0.00 0.00 175.02 175.36 1pma n GLU 23 N 2.59 0.00 -0.00 4.11 1.02 -1.26 -1.70 120.64 125.40 1pma n GLU 23 Ca 0.15 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.38 1pma n GLU 23 Cb 0.35 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.63 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 9.93 0.62 -4.55 1.62 6.94 -1.26 -4.80 115.26 123.76 1pma n ASN 24 Ca 0.00 -0.47 -0.41 0.00 -0.02 0.00 0.00 54.58 53.68 1pma n ASN 24 Cb 0.00 1.48 -0.03 0.00 -2.36 0.00 0.00 39.78 38.87 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 -3.15 2.46 -0.67 -2.53 5.36 -0.69 -4.94 117.98 113.82 1pma s PHE 25 Ca -0.00 -0.58 -0.27 0.00 -0.96 0.00 0.00 56.93 55.13 1pma s PHE 25 Cb 0.14 -4.65 0.00 0.00 -0.34 0.00 0.00 43.02 38.17 1pma s PHE 25 CO 0.83 -1.97 1.59 -1.50 -1.46 0.00 0.00 175.22 172.72 1pma s ILE 26 N 5.15 3.52 -0.08 3.12 -1.16 -1.26 -0.41 121.20 130.08 1pma s ILE 26 Ca 0.41 0.30 0.15 0.00 -0.51 0.00 0.00 60.65 61.00 1pma s ILE 26 Cb -0.03 -4.40 -0.17 0.00 0.61 0.00 0.00 42.46 38.47 1pma s ILE 26 CO -0.01 -1.35 0.80 -0.03 -2.81 0.00 0.00 174.94 171.54 1pma h MET 27 N 12.66 0.00 -3.84 3.50 1.85 -1.88 -3.46 114.93 123.76 1pma h MET 27 Ca -0.27 0.00 -0.51 0.00 -0.61 0.00 0.00 59.70 58.31 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 1.25 0.40 -0.78 -1.01 -0.40 0.00 0.00 176.91 176.37 1pma s HIS 28 N -2.79 1.20 -0.00 1.39 3.76 -0.75 -5.01 115.29 113.08 1pma s HIS 28 Ca -0.03 -0.75 0.15 0.00 -0.15 0.00 0.00 55.06 54.28 1pma s HIS 28 Cb 0.08 -1.08 0.21 0.00 1.11 0.00 0.00 32.58 32.90 1pma s HIS 28 CO 0.81 -0.53 1.51 0.87 -0.85 0.00 0.00 174.74 176.55 1pma h LYS 29 N 8.22 0.00 -2.98 1.40 1.57 -1.83 0.58 116.57 123.53 1pma h LYS 29 Ca -0.21 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.96 1pma h LYS 29 Cb 1.12 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.03 1pma h LYS 29 CO 0.34 0.55 -0.74 -0.80 -0.57 0.00 0.00 179.45 178.23 1pma s ASN 30 N -6.51 3.62 0.00 0.86 -0.87 -1.24 -4.10 114.94 106.70 1pma s ASN 30 Ca 0.02 -2.58 0.00 0.00 -1.57 0.00 0.00 52.86 48.74 1pma s ASN 30 Cb 0.09 -1.00 0.00 0.00 -0.02 0.00 0.00 41.25 40.33 1pma s ASN 30 CO 0.74 -0.27 0.00 0.61 -2.57 0.00 0.00 177.10 175.61 1pma n GLY 31 N 3.61 2.18 2.87 0.66 0.00 -0.48 -5.04 105.19 108.99 1pma n GLY 31 Ca 0.08 -2.12 -0.18 0.00 0.00 0.00 0.00 46.02 43.81 1pma n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pma s LYS 32 N -1.25 0.49 0.00 1.61 2.20 -1.26 -4.84 119.74 116.69 1pma s LYS 32 Ca 0.00 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.58 1pma s LYS 32 Cb 0.00 -0.58 0.00 0.00 -1.51 0.00 0.00 37.83 35.74 1pma s LYS 32 CO 0.00 -0.08 0.26 1.63 -0.36 0.00 0.00 175.35 176.80 1pma n LYS 33 N 3.90 1.85 -4.08 4.03 5.02 -1.26 -4.97 118.16 122.64 1pma n LYS 33 Ca -0.24 -0.26 -0.35 0.00 -2.02 0.00 0.00 58.31 55.45 1pma n LYS 33 Cb 0.52 -0.72 -0.13 0.00 -0.02 0.00 0.00 35.03 34.67 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 -0.67 3.00 0.02 -0.35 2.96 -1.26 -0.95 118.68 121.43 1pma s LEU 34 Ca 0.00 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 1pma s LEU 34 Cb 0.00 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 1pma s LEU 34 CO 0.00 0.04 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.61 1pma s PHE 35 N 1.15 0.85 0.35 5.38 0.08 -0.28 -5.00 117.98 120.52 1pma s PHE 35 Ca 0.02 -0.28 -0.20 0.00 0.12 0.00 0.00 56.93 56.59 1pma s PHE 35 Cb -0.15 -0.52 -0.10 0.00 -0.57 0.00 0.00 43.02 41.69 1pma s PHE 35 CO -0.00 -0.01 0.86 -1.14 -0.10 0.00 0.00 175.22 174.83 1pma s GLN 36 N -0.77 4.25 0.00 0.44 0.74 -1.26 -0.79 119.66 122.27 1pma s GLN 36 Ca -0.00 1.01 0.00 0.00 0.05 0.00 0.00 55.36 56.42 1pma s GLN 36 Cb -0.06 -2.46 0.00 0.00 1.10 0.00 0.00 33.01 31.59 1pma s GLN 36 CO 0.00 0.13 0.08 1.51 -0.55 0.00 0.00 175.29 176.46 1pma n ILE 37 N -0.15 0.00 -3.64 -2.34 3.06 -0.18 -4.87 119.36 111.23 1pma n ILE 37 Ca 0.04 -0.17 -0.02 0.00 -2.50 0.00 0.00 62.75 60.10 1pma n ILE 37 Cb 0.53 1.30 -0.03 0.00 0.54 0.00 0.00 39.64 41.98 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 -0.18 -0.03 0.25 9.51 2.15 -1.10 -4.71 116.67 122.54 1pma s ASP 38 Ca 0.00 0.01 0.12 0.00 0.43 0.00 0.00 52.55 53.12 1pma s ASP 38 Cb 0.00 0.02 0.86 0.00 -0.30 0.00 0.00 42.92 43.50 1pma s ASP 38 CO 0.00 -0.03 1.07 0.35 -0.17 0.00 0.00 175.17 176.39 1pma n THR 39 N 0.24 -0.29 -2.24 1.71 -2.24 -1.26 -0.51 114.28 109.70 1pma n THR 39 Ca 0.03 1.40 -0.11 0.00 -2.27 0.00 0.00 64.05 63.10 1pma n THR 39 Cb 0.58 -2.23 0.05 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 -4.59 1.73 -3.67 4.78 4.01 -1.26 -2.79 117.16 115.37 1pma n TYR 40 Ca 0.24 -1.96 -0.14 0.00 -0.16 0.00 0.00 57.90 55.88 1pma n TYR 40 Cb 0.82 -0.28 -0.08 0.00 -0.31 0.00 0.00 39.34 39.49 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 -3.82 0.01 0.17 -0.72 -1.32 0.33 -2.33 115.64 107.96 1pma s THR 41 Ca 0.41 -0.08 0.03 0.00 -1.21 0.00 0.00 61.69 60.84 1pma s THR 41 Cb 0.38 -0.78 -0.05 0.00 -1.51 0.00 0.00 72.50 70.54 1pma s THR 41 CO -0.01 -0.04 -0.04 -0.83 -2.21 0.00 0.00 174.62 171.49 1pma s GLY 42 N -0.24 1.23 -0.01 6.08 0.00 -0.39 -1.01 107.32 112.97 1pma s GLY 42 Ca -0.04 -1.59 -0.04 0.00 0.00 0.00 0.00 44.72 43.05 1pma s GLY 42 CO 0.03 -1.58 0.08 -0.29 0.00 0.00 0.00 173.10 171.34 1pma s MET 43 N -3.84 0.25 -0.11 2.90 1.75 0.03 -1.38 119.30 118.91 1pma s MET 43 Ca 0.22 -0.17 0.01 0.00 -1.25 0.00 0.00 55.69 54.50 1pma s MET 43 Cb 0.05 0.11 -0.02 0.00 2.84 0.00 0.00 34.83 37.81 1pma s MET 43 CO 0.03 -0.05 -0.14 0.95 -0.65 0.00 0.00 175.02 175.16 1pma s THR 44 N -0.65 2.97 0.09 10.11 -4.23 0.27 -1.12 115.64 123.08 1pma s THR 44 Ca -0.07 -0.71 -0.07 0.00 -1.18 0.00 0.00 61.69 59.66 1pma s THR 44 Cb -0.04 -2.22 -0.05 0.00 1.34 0.00 0.00 72.50 71.52 1pma s THR 44 CO 0.00 0.54 0.36 -0.63 -0.54 0.00 0.00 174.62 174.36 1pma s ILE 45 N 0.07 5.17 -0.29 2.99 1.01 -0.13 -2.77 121.20 127.26 1pma s ILE 45 Ca -0.06 0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.68 1pma s ILE 45 Cb -0.15 -3.62 0.12 0.00 0.01 0.00 0.00 42.46 38.82 1pma s ILE 45 CO 0.05 0.22 0.80 0.00 0.00 0.00 0.00 174.94 176.00 1pma s ALA 46 N -1.47 -2.12 0.00 9.38 0.00 -1.11 -4.89 121.76 121.56 1pma s ALA 46 Ca 0.35 2.31 0.00 0.00 0.00 0.00 0.00 51.96 54.62 1pma s ALA 46 Cb -0.13 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.35 1pma s ALA 46 CO 0.20 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1pma n GLY 47 N 4.42 0.65 3.62 0.00 0.00 -1.26 0.42 105.19 113.05 1pma n GLY 47 Ca -0.17 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 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 3.73 0.17 0.99 2.96 -0.55 -4.88 118.68 121.09 1pma s LEU 48 Ca 0.00 1.80 -0.25 0.00 -0.22 0.00 0.00 54.13 55.46 1pma s LEU 48 Cb 0.00 -3.52 0.02 0.00 0.50 0.00 0.00 46.19 43.19 1pma s LEU 48 CO 0.00 -1.57 1.41 1.33 -1.32 0.00 0.00 176.35 176.20 1pma n VAL 49 N 6.97 -0.58 -0.07 1.68 0.24 -1.26 -1.37 118.33 123.94 1pma n VAL 49 Ca 0.24 2.19 -0.02 0.00 -2.04 0.00 0.00 64.34 64.71 1pma n VAL 49 Cb 0.45 -2.77 -0.02 0.00 -1.47 0.00 0.00 33.84 30.03 1pma n VAL 49 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1pma h GLY 50 N 0.00 -2.23 0.34 7.63 0.00 -1.96 -0.01 103.07 106.83 1pma h GLY 50 Ca 0.20 1.03 0.09 0.00 0.00 0.00 0.00 47.33 48.65 1pma h GLY 50 CO -0.88 -0.79 0.09 -0.55 0.00 0.00 0.00 176.54 174.42 1pma h ASP 51 N -0.02 -0.01 0.03 0.19 3.32 -1.67 -2.58 116.42 115.67 1pma h ASP 51 Ca 0.03 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.19 1pma h ASP 51 Cb 0.09 0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 1pma h ASP 51 CO -0.16 0.02 -0.45 0.00 -1.72 0.00 0.00 179.24 176.93 1pma h ALA 52 N 1.39 -0.75 0.12 3.45 0.00 -0.36 -1.39 119.26 121.72 1pma h ALA 52 Ca 0.25 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1pma h ALA 52 Cb 0.34 0.78 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1pma h ALA 52 CO -0.33 -1.00 -0.34 1.96 0.00 0.00 0.00 179.25 179.54 1pma h GLN 53 N -0.62 -0.55 -0.71 0.00 4.20 -0.65 -0.23 115.11 116.55 1pma h GLN 53 Ca 0.03 0.04 0.13 0.00 0.06 0.00 0.00 58.65 58.91 1pma h GLN 53 Cb 0.68 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.54 1pma h GLN 53 CO -0.31 -0.37 0.48 -0.24 -0.67 0.00 0.00 178.83 177.72 1pma h VAL 54 N -0.57 0.84 -0.52 -0.54 3.04 -1.35 0.03 116.25 117.18 1pma h VAL 54 Ca 0.03 -0.15 -0.11 0.00 -1.01 0.00 0.00 66.70 65.46 1pma h VAL 54 Cb 0.60 0.36 -0.02 0.00 -2.01 0.00 0.00 31.29 30.22 1pma h VAL 54 CO -0.20 0.08 -0.09 0.25 -1.01 0.00 0.00 177.57 176.60 1pma h LEU 55 N 0.44 0.95 -0.63 3.16 5.85 0.05 -2.02 115.31 123.11 1pma h LEU 55 Ca 0.34 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1pma h LEU 55 Cb 0.73 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1pma h LEU 55 CO -0.11 1.06 0.11 1.62 -0.34 0.00 0.00 178.44 180.78 1pma h VAL 56 N 0.86 1.26 -0.06 1.05 3.04 0.54 -2.18 116.25 120.74 1pma h VAL 56 Ca 0.14 -1.00 0.02 0.00 -1.01 0.00 0.00 66.70 64.85 1pma h VAL 56 Cb 0.63 0.69 -0.02 0.00 -2.01 0.00 0.00 31.29 30.58 1pma h VAL 56 CO 0.04 0.37 -0.05 0.03 -1.01 0.00 0.00 177.57 176.95 1pma h ARG 57 N 0.95 -0.06 0.64 4.17 3.08 -1.00 -0.28 114.38 121.88 1pma h ARG 57 Ca 0.19 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 1pma h ARG 57 Cb 0.42 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1pma h ARG 57 CO 0.01 -0.04 -0.48 1.88 -1.07 0.00 0.00 179.97 180.27 1pma h TYR 58 N -0.06 -1.30 -0.75 3.04 -1.99 -1.28 -1.02 116.97 113.61 1pma h TYR 58 Ca 0.04 -0.00 0.17 0.00 2.00 0.00 0.00 58.73 60.94 1pma h TYR 58 Cb 0.12 0.49 -0.13 0.00 2.00 0.00 0.00 36.73 39.21 1pma h TYR 58 CO -0.15 -0.68 0.02 1.98 -0.00 0.00 0.00 178.16 179.32 1pma h MET 59 N -1.08 0.11 0.27 4.88 4.05 -1.25 0.31 114.93 122.23 1pma h MET 59 Ca -0.08 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.32 1pma h MET 59 Cb 0.90 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.66 1pma h MET 59 CO 0.02 0.07 -0.26 -0.22 0.23 0.00 0.00 176.91 176.75 1pma h LYS 60 N 0.11 -0.51 -0.47 0.39 3.64 -0.84 -0.25 116.57 118.65 1pma h LYS 60 Ca 0.41 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.90 1pma h LYS 60 Cb 0.72 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.60 1pma h LYS 60 CO -0.65 -0.34 0.10 0.00 -2.27 0.00 0.00 179.45 176.28 1pma h ALA 61 N -1.33 0.52 -0.78 5.00 0.00 -0.04 -2.07 119.26 120.57 1pma h ALA 61 Ca -0.03 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1pma h ALA 61 Cb 0.46 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1pma h ALA 61 CO -0.03 -0.31 0.45 1.49 0.00 0.00 0.00 179.25 180.86 1pma h GLU 62 N 0.23 0.78 -0.21 0.00 4.57 -0.30 -0.01 114.58 119.64 1pma h GLU 62 Ca 0.23 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.33 1pma h GLU 62 Cb 0.30 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1pma h GLU 62 CO -0.30 0.52 0.02 -0.07 -1.18 0.00 0.00 179.01 177.99 1pma h LEU 63 N 0.81 0.36 -0.26 1.64 4.07 -0.39 -2.20 115.31 119.34 1pma h LEU 63 Ca 0.35 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1pma h LEU 63 Cb 0.24 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 1pma h LEU 63 CO -0.20 0.56 0.17 -0.08 -1.08 0.00 0.00 178.44 177.81 1pma h GLU 64 N 0.15 0.35 -0.26 1.13 4.81 -0.81 -0.79 114.58 119.15 1pma h GLU 64 Ca 0.06 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1pma h GLU 64 Cb 0.36 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 1pma h GLU 64 CO 0.01 0.23 -0.05 1.25 -0.73 0.00 0.00 179.01 179.72 1pma h LEU 65 N 0.35 -0.20 -0.08 1.64 5.85 -0.99 -1.63 115.31 120.25 1pma h LEU 65 Ca 0.10 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1pma h LEU 65 Cb -0.04 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1pma h LEU 65 CO -0.02 -0.07 -0.21 0.22 -0.34 0.00 0.00 178.44 178.02 1pma h TYR 66 N 0.02 -0.56 -0.57 1.25 5.03 -0.98 -1.62 116.97 119.54 1pma h TYR 66 Ca 0.12 0.02 0.12 0.00 2.58 0.00 0.00 58.73 61.57 1pma h TYR 66 Cb 0.18 0.26 -0.09 0.00 1.55 0.00 0.00 36.73 38.63 1pma h TYR 66 CO -0.24 -0.30 0.02 -0.09 -1.32 0.00 0.00 178.16 176.23 1pma h ARG 67 N -0.30 0.13 -0.43 1.82 2.43 -0.46 0.34 114.38 117.92 1pma h ARG 67 Ca 0.09 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1pma h ARG 67 Cb 0.42 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1pma h ARG 67 CO -0.25 0.09 0.18 -0.07 -1.51 0.00 0.00 179.97 178.40 1pma h LEU 68 N 0.14 0.59 -0.35 3.80 4.07 -0.77 0.10 115.31 122.89 1pma h LEU 68 Ca 0.30 -0.16 -0.11 0.00 0.08 0.00 0.00 57.88 57.99 1pma h LEU 68 Cb 0.47 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 1pma h LEU 68 CO -0.47 0.59 -0.51 1.56 -1.08 0.00 0.00 178.44 178.53 1pma h GLN 69 N 0.55 0.00 -0.02 1.13 4.20 -0.40 -3.30 115.11 117.27 1pma h GLN 69 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1pma h GLN 69 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1pma h GLN 69 CO -0.01 0.51 -0.00 0.54 -0.67 0.00 0.00 178.83 179.19 1pma n ARG 70 N -3.35 1.36 -1.09 1.46 1.74 0.11 -4.99 116.66 111.90 1pma n ARG 70 Ca 0.01 -1.51 -0.07 0.00 -0.77 0.00 0.00 57.85 55.51 1pma n ARG 70 Cb 0.67 -1.33 -0.03 0.00 -1.02 0.00 0.00 32.46 30.76 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 0.95 -1.76 -3.75 5.56 3.00 0.35 -4.89 116.66 116.11 1pma n ARG 71 Ca 0.10 0.65 -0.10 0.00 -0.00 0.00 0.00 57.85 58.50 1pma n ARG 71 Cb 0.42 -4.88 -0.06 0.00 0.00 0.00 0.00 32.46 27.94 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 -1.47 0.10 0.34 5.15 0.11 -1.22 -5.04 120.40 118.37 1pma s VAL 72 Ca 0.00 -0.81 -0.27 0.00 -2.93 0.00 0.00 61.98 57.97 1pma s VAL 72 Cb 0.00 -1.13 -0.09 0.00 -1.53 0.00 0.00 36.38 33.62 1pma s VAL 72 CO 0.00 -0.45 1.04 0.20 -3.33 0.00 0.00 175.10 172.56 1pma s ASN 73 N -2.54 7.09 0.01 3.54 -0.87 -1.26 -4.21 114.94 116.70 1pma s ASN 73 Ca 0.01 2.06 -0.30 0.00 -1.57 0.00 0.00 52.86 53.06 1pma s ASN 73 Cb 0.02 -2.60 -0.06 0.00 -0.02 0.00 0.00 41.25 38.59 1pma s ASN 73 CO -0.08 -0.26 1.43 -0.32 -2.57 0.00 0.00 177.10 175.30 1pma s MET 74 N -1.99 4.27 0.60 -0.60 -2.45 -1.26 -4.97 119.30 112.90 1pma s MET 74 Ca 0.51 2.01 -0.20 0.00 -1.25 0.00 0.00 55.69 56.76 1pma s MET 74 Cb -0.25 -3.57 -0.03 0.00 1.25 0.00 0.00 34.83 32.24 1pma s MET 74 CO 0.31 -0.59 1.31 -2.30 1.05 0.00 0.00 175.02 174.80 1pma n PRO 75 N 5.35 1.39 -0.12 4.11 -0.02 -1.26 -4.74 135.00 139.71 1pma n PRO 75 Ca 0.13 0.52 -0.05 0.00 -2.02 0.00 0.00 63.50 62.09 1pma n PRO 75 Cb 0.43 -2.53 0.03 0.00 -0.02 0.00 0.00 33.50 31.41 1pma n PRO 75 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1pma h ILE 76 N 0.97 0.81 0.00 4.25 1.08 -1.94 0.17 117.51 122.85 1pma h ILE 76 Ca -0.51 -0.08 -0.03 0.00 -0.39 0.00 0.00 64.86 63.85 1pma h ILE 76 Cb 1.32 0.56 -0.00 0.00 -3.07 0.00 0.00 36.82 35.63 1pma h ILE 76 CO 0.55 0.04 -0.15 -0.08 -0.69 0.00 0.00 178.15 177.82 1pma h GLU 77 N 0.22 0.00 0.30 2.37 4.81 -1.99 -0.90 114.58 119.39 1pma h GLU 77 Ca 0.19 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1pma h GLU 77 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1pma h GLU 77 CO -0.24 0.15 -0.14 0.00 -0.73 0.00 0.00 179.01 178.04 1pma h ALA 78 N 1.85 -0.40 -0.63 2.92 0.00 -1.08 -1.04 119.26 120.88 1pma h ALA 78 Ca -0.00 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1pma h ALA 78 Cb 0.31 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1pma h ALA 78 CO 0.02 -0.59 0.35 -0.24 0.00 0.00 0.00 179.25 178.79 1pma h VAL 79 N -0.68 0.98 -0.03 0.00 3.04 -0.61 0.39 116.25 119.35 1pma h VAL 79 Ca -0.04 -0.23 0.02 0.00 -1.01 0.00 0.00 66.70 65.44 1pma h VAL 79 Cb 0.47 0.26 -0.02 0.00 -2.01 0.00 0.00 31.29 29.99 1pma h VAL 79 CO 0.07 0.12 -0.07 0.00 -1.01 0.00 0.00 177.57 176.68 1pma h ALA 80 N 1.32 -0.05 -0.30 3.17 0.00 -1.13 -0.80 119.26 121.48 1pma h ALA 80 Ca 0.28 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.26 1pma h ALA 80 Cb 0.15 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1pma h ALA 80 CO -0.17 -0.56 0.02 1.15 0.00 0.00 0.00 179.25 179.70 1pma h THR 81 N -0.11 0.80 -0.05 0.00 2.02 -0.54 0.31 112.91 115.34 1pma h THR 81 Ca 0.04 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1pma h THR 81 Cb 0.17 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1pma h THR 81 CO -0.10 0.02 -0.13 0.25 0.37 0.00 0.00 175.52 175.94 1pma h LEU 82 N 0.11 -0.38 -0.38 2.58 5.85 -0.63 -0.15 115.31 122.31 1pma h LEU 82 Ca 0.14 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.97 1pma h LEU 82 Cb 0.18 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1pma h LEU 82 CO -0.22 -0.17 0.15 0.25 -0.34 0.00 0.00 178.44 178.10 1pma h LEU 83 N -0.19 0.17 -0.29 2.25 5.85 -0.48 -0.51 115.31 122.11 1pma h LEU 83 Ca 0.06 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.88 1pma h LEU 83 Cb 0.27 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 1pma h LEU 83 CO -0.16 0.14 -0.15 -1.28 -0.34 0.00 0.00 178.44 176.64 1pma h SER 84 N 0.31 -0.51 -0.67 1.25 0.87 0.05 -1.17 113.55 113.68 1pma h SER 84 Ca 0.17 0.12 0.06 0.00 -1.23 0.00 0.00 61.79 60.92 1pma h SER 84 Cb 0.14 0.28 -0.06 0.00 -0.44 0.00 0.00 62.40 62.32 1pma h SER 84 CO -0.17 -0.19 0.37 0.78 -0.53 0.00 0.00 176.83 177.09 1pma h ASN 85 N -0.12 0.54 -0.08 6.23 4.21 -0.30 -0.35 115.58 125.72 1pma h ASN 85 Ca 0.15 0.03 0.02 0.00 1.21 0.00 0.00 56.30 57.72 1pma h ASN 85 Cb 0.35 -0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 37.45 1pma h ASN 85 CO -0.36 0.34 -0.06 0.24 -1.29 0.00 0.00 177.43 176.30 1pma h MET 86 N 0.68 -0.07 -0.05 0.81 2.86 -0.20 -2.17 114.93 116.79 1pma h MET 86 Ca 0.31 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.94 1pma h MET 86 Cb 0.21 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 1pma h MET 86 CO -0.19 -0.04 0.01 -0.07 1.06 0.00 0.00 176.91 177.67 1pma h LEU 87 N -0.07 0.08 -0.52 1.22 4.07 -0.77 -3.23 115.31 116.09 1pma h LEU 87 Ca 0.05 -0.26 -0.04 0.00 0.08 0.00 0.00 57.88 57.71 1pma h LEU 87 Cb 0.14 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 1pma h LEU 87 CO -0.12 0.32 0.16 -1.13 -1.08 0.00 0.00 178.44 176.59 1pma h ASN 88 N -0.15 0.76 0.00 -0.43 -0.73 -1.13 -2.02 115.58 111.87 1pma h ASN 88 Ca 0.02 -0.21 0.00 0.00 1.87 0.00 0.00 56.30 57.98 1pma h ASN 88 Cb 0.27 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.66 1pma h ASN 88 CO 0.00 0.77 0.32 -0.61 -0.37 0.00 0.00 177.43 177.54 1pma h GLN 89 N 0.71 0.00 0.00 6.67 4.15 -1.41 0.60 115.11 125.82 1pma h GLN 89 Ca 0.17 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.50 1pma h GLN 89 Cb 0.28 0.00 -0.18 0.00 0.21 0.00 0.00 27.48 27.79 1pma h GLN 89 CO -0.00 0.00 -0.75 1.55 -1.93 0.00 0.00 178.83 177.70 1pma n VAL 90 N -2.30 1.19 -0.00 2.39 3.14 -0.79 -4.86 118.33 117.10 1pma n VAL 90 Ca -0.01 -2.21 0.21 0.00 -2.96 0.00 0.00 64.34 59.37 1pma n VAL 90 Cb 0.35 0.33 0.71 0.00 -1.06 0.00 0.00 33.84 34.17 1pma n VAL 90 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 1pma h LYS 91 N 1.00 0.00 -0.00 1.45 2.10 -0.58 -0.52 116.57 120.02 1pma h LYS 91 Ca -0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 1pma h LYS 91 Cb 1.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.74 1pma h LYS 91 CO 0.05 0.00 -0.06 0.66 -2.00 0.00 0.00 179.45 178.10 1pma n TYR 92 N -4.23 0.00 -2.82 0.07 4.01 -1.26 -3.69 117.16 109.24 1pma n TYR 92 Ca 0.10 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.73 1pma n TYR 92 Cb 0.65 -0.33 0.05 0.00 -0.31 0.00 0.00 39.34 39.40 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 -1.31 1.09 -1.05 -0.72 2.81 -0.31 -5.14 117.12 112.49 1pma n MET 93 Ca 0.11 -2.69 -0.34 0.00 -1.81 0.00 0.00 57.70 52.97 1pma n MET 93 Cb 0.29 -1.04 0.11 0.00 -0.71 0.00 0.00 33.22 31.86 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 -0.02 0.06 -2.88 0.03 -0.04 -0.57 -4.96 135.00 126.63 1pma n PRO 94 Ca 0.10 0.08 -0.43 0.00 -0.04 0.00 0.00 63.50 63.21 1pma n PRO 94 Cb 0.76 -2.04 -0.04 0.00 -0.04 0.00 0.00 33.50 32.14 1pma n PRO 94 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1pma s TYR 95 N -2.14 2.81 -0.87 0.54 1.51 -1.26 -4.91 117.35 113.03 1pma s TYR 95 Ca 0.65 -0.14 -0.25 0.00 -1.01 0.00 0.00 57.07 56.32 1pma s TYR 95 Cb -0.29 -4.03 -0.06 0.00 -0.11 0.00 0.00 41.96 37.48 1pma s TYR 95 CO 0.59 -1.34 2.02 -1.64 -1.11 0.00 0.00 175.55 174.06 1pma s MET 96 N 3.79 2.41 0.25 -0.62 -1.94 -1.26 -4.66 119.30 117.26 1pma s MET 96 Ca 0.27 -0.11 -0.18 0.00 -1.71 0.00 0.00 55.69 53.97 1pma s MET 96 Cb -0.14 -4.98 0.02 0.00 2.01 0.00 0.00 34.83 31.74 1pma s MET 96 CO 0.17 -3.51 0.61 0.54 -0.01 0.00 0.00 175.02 172.82 1pma s VAL 97 N 10.78 0.01 -0.08 -6.03 0.11 -1.26 -1.49 120.40 122.44 1pma s VAL 97 Ca 0.74 -1.01 -0.03 0.00 -2.93 0.00 0.00 61.98 58.75 1pma s VAL 97 Cb -0.08 -1.92 0.04 0.00 -1.53 0.00 0.00 36.38 32.89 1pma s VAL 97 CO 0.02 -0.02 0.06 -1.58 -3.33 0.00 0.00 175.10 170.24 1pma s GLN 98 N -3.93 0.07 -0.01 1.54 0.74 0.17 -3.23 119.66 115.01 1pma s GLN 98 Ca 0.13 0.22 0.04 0.00 0.05 0.00 0.00 55.36 55.80 1pma s GLN 98 Cb -0.03 -0.89 -0.03 0.00 1.10 0.00 0.00 33.01 33.16 1pma s GLN 98 CO 0.04 -0.40 -0.10 -0.51 -0.55 0.00 0.00 175.29 173.77 1pma s LEU 99 N 2.12 2.99 -0.16 3.68 1.43 -0.55 -2.76 118.68 125.44 1pma s LEU 99 Ca 0.04 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1pma s LEU 99 Cb -0.13 -1.70 0.03 0.00 0.03 0.00 0.00 46.19 44.42 1pma s LEU 99 CO -0.05 0.30 -0.10 -0.22 0.23 0.00 0.00 176.35 176.51 1pma s LEU 100 N -1.23 1.71 -0.18 1.79 2.96 -1.11 -0.34 118.68 122.28 1pma s LEU 100 Ca 0.15 -0.59 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 1pma s LEU 100 Cb -0.11 -1.07 0.03 0.00 0.50 0.00 0.00 46.19 45.54 1pma s LEU 100 CO 0.05 -0.12 -0.16 0.54 -1.32 0.00 0.00 176.35 175.35 1pma s VAL 101 N 1.54 1.82 0.27 1.68 0.11 -0.47 -0.56 120.40 124.79 1pma s VAL 101 Ca 0.03 -0.90 0.11 0.00 -2.93 0.00 0.00 61.98 58.28 1pma s VAL 101 Cb -0.14 -1.73 -0.05 0.00 -1.53 0.00 0.00 36.38 32.93 1pma s VAL 101 CO -0.09 0.40 -0.10 -0.83 -3.33 0.00 0.00 175.10 171.15 1pma s GLY 102 N 1.36 1.76 0.00 6.54 0.00 -0.48 -0.58 107.32 115.93 1pma s GLY 102 Ca 0.03 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 43.00 1pma s GLY 102 CO -0.11 -1.82 0.00 0.61 0.00 0.00 0.00 173.10 171.79 1pma n GLY 103 N -0.71 -0.18 2.70 0.20 0.00 -0.12 -1.26 105.19 105.82 1pma n GLY 103 Ca -0.06 -1.02 -0.21 0.00 0.00 0.00 0.00 46.02 44.73 1pma n GLY 103 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pma s ILE 104 N -2.00 -0.17 0.00 -0.61 2.07 -0.98 0.30 121.20 119.80 1pma s ILE 104 Ca 0.00 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 1pma s ILE 104 Cb 0.00 -0.43 0.00 0.00 0.13 0.00 0.00 42.46 42.16 1pma s ILE 104 CO 0.00 -0.07 0.00 -0.90 -1.91 0.00 0.00 174.94 172.06 1pma n ASP 105 N 5.30 0.00 0.21 4.50 5.68 -1.26 -4.81 116.55 126.17 1pma n ASP 105 Ca -0.05 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.39 1pma n ASP 105 Cb 0.50 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.08 1pma n ASP 105 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pma h THR 106 N 0.00 0.00 -2.65 2.12 1.03 -2.02 -3.46 112.91 107.93 1pma h THR 106 Ca 0.00 -0.35 0.11 0.00 -0.01 0.00 0.00 66.41 66.16 1pma h THR 106 Cb 0.00 1.22 -0.05 0.00 -1.07 0.00 0.00 68.15 68.25 1pma h THR 106 CO 0.00 0.00 0.42 0.00 -0.01 0.00 0.00 175.52 175.93 1pma s ALA 107 N -3.51 -1.36 0.61 0.00 0.00 -1.26 -5.17 121.76 111.06 1pma s ALA 107 Ca 0.02 -0.26 -0.15 0.00 0.00 0.00 0.00 51.96 51.57 1pma s ALA 107 Cb 0.09 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.90 1pma s ALA 107 CO 0.46 -1.04 1.07 -2.14 0.00 0.00 0.00 175.76 174.11 1pma s PRO 108 N -2.93 3.21 0.04 0.00 0.02 -1.26 -4.26 135.00 129.82 1pma s PRO 108 Ca 0.15 1.23 -0.20 0.00 0.02 0.00 0.00 61.00 62.21 1pma s PRO 108 Cb -0.03 -2.02 0.04 0.00 0.02 0.00 0.00 34.50 32.51 1pma s PRO 108 CO 0.06 -0.90 0.45 -1.01 -0.33 0.00 0.00 177.00 175.27 1pma s HIS 109 N -2.45 -0.32 -0.28 6.54 3.76 0.15 -4.93 115.29 117.76 1pma s HIS 109 Ca 0.64 0.34 -0.04 0.00 -0.15 0.00 0.00 55.06 55.86 1pma s HIS 109 Cb -0.17 0.26 0.16 0.00 1.11 0.00 0.00 32.58 33.93 1pma s HIS 109 CO 0.38 -0.58 0.54 0.54 -0.85 0.00 0.00 174.74 174.77 1pma s VAL 110 N -2.33 -0.87 0.05 -0.90 0.11 -1.26 -0.94 120.40 114.26 1pma s VAL 110 Ca -0.06 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.04 1pma s VAL 110 Cb -0.01 -0.92 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 1pma s VAL 110 CO -0.01 -0.02 -0.10 -0.36 -3.33 0.00 0.00 175.10 171.28 1pma s PHE 111 N 2.77 2.77 -0.20 1.54 0.40 0.26 -2.45 117.98 123.07 1pma s PHE 111 Ca 0.12 -0.12 -0.06 0.00 -0.60 0.00 0.00 56.93 56.27 1pma s PHE 111 Cb -0.14 -1.51 -0.03 0.00 0.51 0.00 0.00 43.02 41.84 1pma s PHE 111 CO -0.19 0.37 0.02 0.45 0.70 0.00 0.00 175.22 176.57 1pma s SER 112 N -1.74 5.04 -0.09 1.36 0.15 -0.55 -1.37 113.70 116.49 1pma s SER 112 Ca 0.19 -0.13 0.03 0.00 0.70 0.00 0.00 55.95 56.73 1pma s SER 112 Cb -0.11 -1.86 0.01 0.00 -1.71 0.00 0.00 66.02 62.35 1pma s SER 112 CO 0.10 0.09 -0.17 -0.63 1.20 0.00 0.00 173.24 173.83 1pma s ILE 113 N 0.84 1.53 0.34 6.45 -1.09 0.54 -1.46 121.20 128.35 1pma s ILE 113 Ca 0.01 -0.69 0.06 0.00 -2.23 0.00 0.00 60.65 57.81 1pma s ILE 113 Cb -0.14 -1.37 -0.01 0.00 -1.58 0.00 0.00 42.46 39.36 1pma s ILE 113 CO 0.02 0.44 0.48 1.51 -1.23 0.00 0.00 174.94 176.16 1pma s ASP 114 N 0.69 5.96 0.00 3.58 1.47 -0.33 -1.48 116.67 126.57 1pma s ASP 114 Ca -0.13 -0.18 0.00 0.00 1.18 0.00 0.00 52.55 53.42 1pma s ASP 114 Cb -0.16 -1.22 0.00 0.00 -0.34 0.00 0.00 42.92 41.20 1pma s ASP 114 CO 0.03 -0.44 0.57 0.00 0.68 0.00 0.00 175.17 176.00 1pma n ALA 115 N -1.65 1.42 0.01 2.11 0.00 -1.20 0.50 120.51 121.70 1pma n ALA 115 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1pma n ALA 115 Cb 0.58 -0.99 0.14 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.07 2.28 -1.28 0.00 0.00 -1.26 -4.57 120.51 114.61 1pma n ALA 116 Ca 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 53.44 52.40 1pma n ALA 116 Cb 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 1pma n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pma n GLY 117 N 0.66 0.65 3.73 0.00 0.00 0.18 -3.87 105.19 106.54 1pma n GLY 117 Ca 0.11 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.93 2.93 -0.05 -0.02 0.00 -1.25 -4.75 107.32 101.26 1pma s GLY 118 Ca 0.00 0.49 0.03 0.00 0.00 0.00 0.00 44.72 45.23 1pma s GLY 118 CO 0.00 1.38 -0.12 -0.45 0.00 0.00 0.00 173.10 173.91 1pma s SER 119 N 0.10 1.69 -0.16 1.64 0.15 -1.26 -1.19 113.70 114.68 1pma s SER 119 Ca 0.45 -0.28 -0.07 0.00 0.70 0.00 0.00 55.95 56.75 1pma s SER 119 Cb -0.22 -0.63 0.06 0.00 -1.71 0.00 0.00 66.02 63.52 1pma s SER 119 CO 0.28 0.07 0.36 0.54 1.20 0.00 0.00 173.24 175.68 1pma s VAL 120 N 0.41 -0.23 0.14 4.45 0.11 -0.53 -4.97 120.40 119.77 1pma s VAL 120 Ca -0.09 0.15 -0.21 0.00 -2.93 0.00 0.00 61.98 58.90 1pma s VAL 120 Cb -0.13 -0.55 -0.07 0.00 -1.53 0.00 0.00 36.38 34.10 1pma s VAL 120 CO 0.02 0.06 0.67 -0.70 -3.33 0.00 0.00 175.10 171.82 1pma s GLU 121 N 1.81 4.32 0.33 1.54 2.12 -1.26 -1.49 118.70 126.07 1pma s GLU 121 Ca -0.06 0.89 0.06 0.00 0.36 0.00 0.00 54.97 56.22 1pma s GLU 121 Cb -0.10 -3.16 -0.03 0.00 0.26 0.00 0.00 34.13 31.10 1pma s GLU 121 CO -0.11 0.56 0.25 0.34 -0.54 0.00 0.00 175.26 175.76 1pma s ASP 122 N -1.26 1.72 0.00 -1.70 2.15 -1.03 -5.01 116.67 111.54 1pma s ASP 122 Ca 0.34 -1.73 0.25 0.00 0.43 0.00 0.00 52.55 51.84 1pma s ASP 122 Cb -0.20 0.54 0.52 0.00 -0.30 0.00 0.00 42.92 43.49 1pma s ASP 122 CO 0.22 -1.04 1.42 2.30 -0.17 0.00 0.00 175.17 177.90 1pma n ILE 123 N -0.64 0.00 0.00 4.11 -0.00 -1.26 -4.40 119.36 117.18 1pma n ILE 123 Ca 0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 62.75 62.79 1pma n ILE 123 Cb 0.63 0.30 0.00 0.00 -0.00 0.00 0.00 39.64 40.57 1pma n ILE 123 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1pma n TYR 124 N -1.36 0.00 -3.55 4.28 4.11 -1.26 -0.66 117.16 118.72 1pma n TYR 124 Ca 0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.88 1pma n TYR 124 Cb 0.34 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.64 1pma n TYR 124 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1pma s ALA 125 N -2.00 -1.91 0.29 -3.48 0.00 0.17 -4.99 121.76 109.84 1pma s ALA 125 Ca 0.00 1.37 0.11 0.00 0.00 0.00 0.00 51.96 53.44 1pma s ALA 125 Cb 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 1pma s ALA 125 CO 0.00 -0.49 -0.16 0.45 0.00 0.00 0.00 175.76 175.56 1pma s SER 126 N -1.77 3.75 -0.00 0.00 0.15 -1.26 -0.38 113.70 114.19 1pma s SER 126 Ca 0.02 -0.99 -0.01 0.00 0.70 0.00 0.00 55.95 55.67 1pma s SER 126 Cb -0.01 -0.39 -0.00 0.00 -1.71 0.00 0.00 66.02 63.91 1pma s SER 126 CO -0.03 0.00 0.02 0.28 1.20 0.00 0.00 173.24 174.71 1pma s THR 127 N -2.49 0.04 0.00 6.45 -1.32 0.20 -4.95 115.64 113.57 1pma s THR 127 Ca 0.31 -0.37 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 1pma s THR 127 Cb -0.04 -0.16 0.00 0.00 -1.51 0.00 0.00 72.50 70.79 1pma s THR 127 CO 0.16 -0.20 0.00 0.61 -2.21 0.00 0.00 174.62 172.98 1pma n GLY 128 N 2.43 0.92 0.37 6.08 0.00 -1.26 -0.17 105.19 113.56 1pma n GLY 128 Ca -0.17 -2.24 0.07 0.00 0.00 0.00 0.00 46.02 43.68 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 0.88 -0.53 1.61 0.87 -0.12 -2.52 113.55 113.75 1pma h SER 129 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1pma h SER 129 Cb 0.00 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1pma h SER 129 CO 0.00 0.49 0.00 0.61 -0.53 0.00 0.00 176.83 177.40 1pma n GLY 130 N -1.37 2.28 0.25 5.77 0.00 -1.10 -4.65 105.19 106.37 1pma n GLY 130 Ca 0.18 -0.70 -0.03 0.00 0.00 0.00 0.00 46.02 45.47 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 3.34 -0.68 -0.39 1.61 0.02 -1.70 -2.33 113.55 113.43 1pma h SER 131 Ca 0.00 0.18 0.07 0.00 -0.84 0.00 0.00 61.79 61.20 1pma h SER 131 Cb 1.28 0.39 -0.06 0.00 0.14 0.00 0.00 62.40 64.15 1pma h SER 131 CO 0.21 -0.22 -0.01 -0.65 -1.14 0.00 0.00 176.83 175.02 1pma h PRO 132 N -0.07 0.09 -0.61 3.45 0.11 -1.85 0.36 132.00 133.49 1pma h PRO 132 Ca 0.25 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.45 1pma h PRO 132 Cb 0.45 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 31.46 1pma h PRO 132 CO -0.57 0.06 0.21 0.74 -0.21 0.00 0.00 178.00 178.23 1pma h PHE 133 N 0.10 0.36 -0.23 0.65 0.04 -1.78 0.07 116.94 116.14 1pma h PHE 133 Ca 0.19 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.90 1pma h PHE 133 Cb 0.27 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.35 1pma h PHE 133 CO -0.27 0.07 -0.22 -0.24 -0.60 0.00 0.00 178.31 177.06 1pma h VAL 134 N 0.37 1.32 -0.23 -0.55 3.04 -1.01 -2.40 116.25 116.79 1pma h VAL 134 Ca 0.31 -1.37 0.07 0.00 -1.01 0.00 0.00 66.70 64.69 1pma h VAL 134 Cb 0.40 1.68 -0.01 0.00 -2.01 0.00 0.00 31.29 31.35 1pma h VAL 134 CO -0.33 0.43 0.40 1.88 -1.01 0.00 0.00 177.57 178.94 1pma h TYR 135 N 0.26 0.00 0.05 3.17 0.05 0.11 0.31 116.97 120.93 1pma h TYR 135 Ca 0.04 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 1pma h TYR 135 Cb 0.76 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.51 1pma h TYR 135 CO 0.08 0.00 -0.03 0.78 -1.05 0.00 0.00 178.16 177.94 1pma h GLY 136 N 0.00 -0.07 0.47 3.88 0.00 -0.53 -2.30 103.07 104.53 1pma h GLY 136 Ca 0.11 0.03 0.18 0.00 0.00 0.00 0.00 47.33 47.64 1pma h GLY 136 CO -0.00 -0.03 0.56 -0.39 0.00 0.00 0.00 176.54 176.68 1pma h VAL 137 N -0.17 0.73 0.11 4.60 -1.51 -1.25 0.15 116.25 118.92 1pma h VAL 137 Ca -0.01 -0.14 -0.01 0.00 -1.23 0.00 0.00 66.70 65.31 1pma h VAL 137 Cb 0.05 0.28 0.00 0.00 -2.13 0.00 0.00 31.29 29.49 1pma h VAL 137 CO 0.01 0.08 -0.06 -0.07 -1.23 0.00 0.00 177.57 176.30 1pma h LEU 138 N 0.42 -0.13 -2.54 4.19 4.07 -1.08 0.51 115.31 120.75 1pma h LEU 138 Ca 0.43 -0.26 0.01 0.00 0.08 0.00 0.00 57.88 58.14 1pma h LEU 138 Cb 1.02 0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.79 1pma h LEU 138 CO -0.15 0.20 0.05 -0.08 -1.08 0.00 0.00 178.44 177.37 1pma h GLU 139 N -0.47 0.00 0.12 1.13 4.57 -0.35 0.27 114.58 119.85 1pma h GLU 139 Ca -0.02 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.83 1pma h GLU 139 Cb 0.38 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1pma h GLU 139 CO 0.03 0.00 -1.77 1.03 -1.18 0.00 0.00 179.01 177.12 1pma h SER 140 N 0.00 0.41 0.00 1.04 0.87 0.00 -3.43 113.55 112.44 1pma h SER 140 Ca 0.01 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 59.86 1pma h SER 140 Cb 0.11 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1pma h SER 140 CO -0.00 1.62 0.00 0.00 -0.53 0.00 0.00 176.83 177.92 1pma n GLN 141 N -3.44 0.10 -2.65 2.24 6.02 0.17 -5.05 117.38 114.76 1pma n GLN 141 Ca -0.24 -0.56 -0.41 0.00 -0.01 0.00 0.00 57.00 55.78 1pma n GLN 141 Cb 1.05 -0.82 -0.04 0.00 1.02 0.00 0.00 30.24 31.45 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 -0.19 3.74 -0.02 1.08 5.04 0.88 -5.02 117.35 122.86 1pma s TYR 142 Ca 0.00 1.73 0.00 0.00 -2.44 0.00 0.00 57.07 56.36 1pma s TYR 142 Cb 0.00 -3.13 0.03 0.00 0.35 0.00 0.00 41.96 39.20 1pma s TYR 142 CO 0.00 -0.09 0.02 0.45 -1.34 0.00 0.00 175.55 174.59 1pma s SER 143 N -0.16 0.24 0.04 4.32 0.15 -1.26 -4.97 113.70 112.05 1pma s SER 143 Ca 0.47 0.01 0.09 0.00 0.70 0.00 0.00 55.95 57.22 1pma s SER 143 Cb -0.26 -0.14 0.40 0.00 -1.71 0.00 0.00 66.02 64.31 1pma s SER 143 CO 0.32 -0.12 1.28 -1.84 1.20 0.00 0.00 173.24 174.09 1pma n GLU 144 N 4.18 0.02 -0.74 5.44 -0.00 -1.26 -2.06 120.64 126.22 1pma n GLU 144 Ca -0.27 0.40 -0.01 0.00 -0.00 0.00 0.00 57.16 57.28 1pma n GLU 144 Cb 0.50 -1.56 0.26 0.00 -0.00 0.00 0.00 31.44 30.65 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 -1.60 3.43 -2.63 3.44 5.02 -1.26 -4.24 118.16 120.32 1pma n LYS 145 Ca 0.01 -2.34 -0.25 0.00 -2.02 0.00 0.00 58.31 53.71 1pma n LYS 145 Cb 0.09 -2.03 0.02 0.00 -0.02 0.00 0.00 35.03 33.09 1pma n LYS 145 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1pma s MET 146 N -2.36 2.98 0.17 1.97 -1.94 -0.88 -5.08 119.30 114.17 1pma s MET 146 Ca 0.41 -0.20 -0.01 0.00 -1.71 0.00 0.00 55.69 54.19 1pma s MET 146 Cb 0.32 -2.39 -0.04 0.00 2.01 0.00 0.00 34.83 34.74 1pma s MET 146 CO 0.11 -0.53 0.36 0.95 -0.01 0.00 0.00 175.02 175.90 1pma s THR 147 N -2.82 5.23 0.59 2.05 -4.23 -1.26 -4.79 115.64 110.41 1pma s THR 147 Ca 0.52 -0.33 0.29 0.00 -1.18 0.00 0.00 61.69 60.99 1pma s THR 147 Cb -0.10 -3.71 0.37 0.00 1.34 0.00 0.00 72.50 70.41 1pma s THR 147 CO 0.42 -0.10 1.92 1.62 -0.54 0.00 0.00 174.62 177.95 1pma h VAL 148 N 1.69 0.36 -0.01 2.29 3.04 -1.98 0.33 116.25 121.97 1pma h VAL 148 Ca -0.47 0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 65.10 1pma h VAL 148 Cb 1.18 0.65 0.01 0.00 -2.01 0.00 0.00 31.29 31.12 1pma h VAL 148 CO 0.70 0.00 -0.45 -0.78 -1.01 0.00 0.00 177.57 176.03 1pma h ASP 149 N 0.00 0.41 -0.83 3.17 1.82 -2.00 -2.17 116.42 116.81 1pma h ASP 149 Ca 0.19 -0.76 0.08 0.00 -0.39 0.00 0.00 57.03 56.15 1pma h ASP 149 Cb 1.06 -0.12 -0.07 0.00 0.68 0.00 0.00 39.33 40.87 1pma h ASP 149 CO -0.00 1.11 0.49 -0.33 -1.61 0.00 0.00 179.24 178.90 1pma h GLU 150 N -0.25 0.82 0.45 0.28 5.08 -0.82 -2.64 114.58 117.49 1pma h GLU 150 Ca -0.05 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1pma h GLU 150 Cb 1.17 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1pma h GLU 150 CO 0.09 0.55 -0.46 0.78 -1.00 0.00 0.00 179.01 178.96 1pma h GLY 151 N 0.85 -1.22 -0.52 -3.84 0.00 -0.89 -0.97 103.07 96.48 1pma h GLY 151 Ca 0.39 0.57 0.33 0.00 0.00 0.00 0.00 47.33 48.62 1pma h GLY 151 CO -0.22 -0.36 0.69 -0.24 0.00 0.00 0.00 176.54 176.41 1pma h VAL 152 N -0.91 0.35 0.46 4.60 3.04 -1.04 0.40 116.25 123.16 1pma h VAL 152 Ca -0.06 -0.10 -0.02 0.00 -1.01 0.00 0.00 66.70 65.51 1pma h VAL 152 Cb 0.79 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.10 1pma h VAL 152 CO -0.07 0.05 -0.22 0.44 -1.01 0.00 0.00 177.57 176.77 1pma h ASP 153 N 0.30 -0.53 -0.92 3.17 5.19 -1.14 -2.26 116.42 120.23 1pma h ASP 153 Ca 0.70 -0.06 0.21 0.00 -0.62 0.00 0.00 57.03 57.26 1pma h ASP 153 Cb 1.84 0.14 -0.17 0.00 0.18 0.00 0.00 39.33 41.32 1pma h ASP 153 CO -0.43 -0.12 -0.09 0.25 -3.12 0.00 0.00 179.24 175.74 1pma h LEU 154 N -1.07 -0.62 0.16 1.55 5.85 0.37 0.49 115.31 122.04 1pma h LEU 154 Ca -0.06 0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1pma h LEU 154 Cb 0.56 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1pma h LEU 154 CO 0.10 -0.30 -0.12 0.58 -0.34 0.00 0.00 178.44 178.36 1pma h VAL 155 N 0.02 0.73 -0.54 1.05 2.07 -1.29 0.23 116.25 118.53 1pma h VAL 155 Ca 0.50 0.00 0.11 0.00 0.82 0.00 0.00 66.70 68.12 1pma h VAL 155 Cb 0.89 0.73 -0.10 0.00 -1.52 0.00 0.00 31.29 31.30 1pma h VAL 155 CO -0.89 0.00 -0.07 0.40 0.02 0.00 0.00 177.57 177.04 1pma h ILE 156 N -0.29 0.51 0.03 4.57 2.04 0.48 0.50 117.51 125.36 1pma h ILE 156 Ca -0.01 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 65.86 1pma h ILE 156 Cb 0.26 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1pma h ILE 156 CO -0.01 0.01 -0.21 0.03 0.00 0.00 0.00 178.15 177.98 1pma h ARG 157 N 0.05 -0.33 0.13 2.37 3.08 -0.09 0.17 114.38 119.75 1pma h ARG 157 Ca 0.27 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.35 1pma h ARG 157 Cb 0.41 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1pma h ARG 157 CO -0.50 -0.22 -0.39 0.00 -1.07 0.00 0.00 179.97 177.79 1pma h ALA 158 N 0.51 -0.91 -0.79 0.04 0.00 0.63 0.13 119.26 118.88 1pma h ALA 158 Ca 0.05 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 54.99 1pma h ALA 158 Cb 0.41 0.76 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 1pma h ALA 158 CO -0.17 -0.99 0.40 0.82 0.00 0.00 0.00 179.25 179.31 1pma h ILE 159 N -0.58 0.79 -0.54 0.00 2.04 -0.74 0.92 117.51 119.39 1pma h ILE 159 Ca -0.01 -0.21 0.06 0.00 1.00 0.00 0.00 64.86 65.70 1pma h ILE 159 Cb 0.57 0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 1pma h ILE 159 CO -0.19 0.11 0.24 0.28 0.00 0.00 0.00 178.15 178.60 1pma h SER 160 N 0.62 0.31 -0.16 1.72 0.02 0.05 0.94 113.55 117.06 1pma h SER 160 Ca 0.41 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.43 1pma h SER 160 Cb 0.51 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 1pma h SER 160 CO -0.32 0.21 -0.01 0.00 -1.14 0.00 0.00 176.83 175.57 1pma h ALA 161 N 1.33 0.13 -0.12 3.77 0.00 0.17 -1.56 119.26 122.97 1pma h ALA 161 Ca 0.25 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1pma h ALA 161 Cb 0.23 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1pma h ALA 161 CO -0.21 -0.46 0.02 0.00 0.00 0.00 0.00 179.25 178.60 1pma h ALA 162 N 1.14 1.81 0.00 0.00 0.00 -0.46 -0.32 119.26 121.43 1pma h ALA 162 Ca 0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1pma h ALA 162 Cb 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1pma h ALA 162 CO -0.14 0.15 -0.17 0.87 0.00 0.00 0.00 179.25 179.97 1pma h LYS 163 N 0.17 0.00 0.03 0.00 1.57 0.19 -1.52 116.57 117.01 1pma h LYS 163 Ca 0.04 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 1pma h LYS 163 Cb 0.09 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.40 1pma h LYS 163 CO -0.00 0.17 -0.39 1.96 -0.57 0.00 0.00 179.45 180.61 1pma h GLN 164 N 0.00 0.21 -0.22 3.15 1.08 -0.81 -3.36 115.11 115.17 1pma h GLN 164 Ca -0.00 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 1pma h GLN 164 Cb 0.38 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1pma h GLN 164 CO 0.02 1.03 0.00 0.54 -0.95 0.00 0.00 178.83 179.47 1pma n ARG 165 N -4.39 1.94 -3.60 1.46 3.00 -1.09 -4.78 116.66 109.19 1pma n ARG 165 Ca -0.11 -1.41 -0.28 0.00 -0.01 0.00 0.00 57.85 56.04 1pma n ARG 165 Cb 0.60 -1.42 -0.16 0.00 0.00 0.00 0.00 32.46 31.48 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 -1.56 3.23 0.58 0.55 2.15 -0.58 -5.00 116.67 116.04 1pma s ASP 166 Ca 0.34 -1.11 0.36 0.00 0.43 0.00 0.00 52.55 52.56 1pma s ASP 166 Cb 0.19 -0.41 1.95 0.00 -0.30 0.00 0.00 42.92 44.36 1pma s ASP 166 CO 0.28 -0.40 2.10 0.77 -0.17 0.00 0.00 175.17 177.74 1pma h SER 167 N 8.36 0.00 0.79 -0.34 4.64 -1.86 -0.52 113.55 124.62 1pma h SER 167 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1pma h SER 167 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1pma h SER 167 CO 0.39 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 176.33 1pma n ALA 168 N -1.96 2.46 -2.54 5.18 0.00 -1.26 -4.82 120.51 117.57 1pma n ALA 168 Ca -0.02 -0.13 -0.28 0.00 0.00 0.00 0.00 53.44 53.01 1pma n ALA 168 Cb 0.13 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.02 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 -2.82 4.12 0.00 0.00 0.01 -0.21 0.40 113.70 115.20 1pma s SER 169 Ca 0.20 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.88 1pma s SER 169 Cb 0.19 -0.65 0.00 0.00 0.21 0.00 0.00 66.02 65.77 1pma s SER 169 CO 0.51 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.90 1pma n GLY 170 N 0.30 -2.21 4.31 3.44 0.00 -1.26 -4.83 105.19 104.94 1pma n GLY 170 Ca -0.12 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.55 -1.93 3.71 -0.02 0.00 -1.26 -1.64 105.19 103.50 1pma n GLY 171 Ca 0.00 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 4.30 0.12 1.61 -2.45 -1.26 -4.70 119.30 116.92 1pma s MET 172 Ca 0.00 2.08 -0.20 0.00 -1.25 0.00 0.00 55.69 56.33 1pma s MET 172 Cb 0.00 -3.36 -0.07 0.00 1.25 0.00 0.00 34.83 32.65 1pma s MET 172 CO 0.00 -0.51 0.63 -1.50 1.05 0.00 0.00 175.02 174.69 1pma s ILE 173 N 1.57 4.66 -0.01 10.11 -1.16 -1.26 -3.66 121.20 131.44 1pma s ILE 173 Ca 0.65 1.26 0.02 0.00 -0.51 0.00 0.00 60.65 62.08 1pma s ILE 173 Cb -0.36 -3.91 -0.00 0.00 0.61 0.00 0.00 42.46 38.79 1pma s ILE 173 CO 0.30 0.45 -0.08 1.51 -2.81 0.00 0.00 174.94 174.31 1pma s ASP 174 N -1.29 0.96 0.12 4.50 1.47 0.02 -4.91 116.67 117.54 1pma s ASP 174 Ca 0.34 -0.15 0.09 0.00 1.18 0.00 0.00 52.55 54.01 1pma s ASP 174 Cb -0.19 -0.16 -0.04 0.00 -0.34 0.00 0.00 42.92 42.19 1pma s ASP 174 CO 0.21 0.08 -0.22 0.54 0.68 0.00 0.00 175.17 176.46 1pma s VAL 175 N -0.04 1.85 -0.03 2.11 0.11 -1.26 -1.93 120.40 121.21 1pma s VAL 175 Ca 0.01 -1.64 0.02 0.00 -2.93 0.00 0.00 61.98 57.44 1pma s VAL 175 Cb -0.05 -1.69 0.01 0.00 -1.53 0.00 0.00 36.38 33.12 1pma s VAL 175 CO -0.00 -0.06 -0.06 0.00 -3.33 0.00 0.00 175.10 171.65 1pma s ALA 176 N -1.25 0.73 -0.09 1.54 0.00 0.08 -1.24 121.76 121.53 1pma s ALA 176 Ca 0.09 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 51.91 1pma s ALA 176 Cb -0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1pma s ALA 176 CO 0.05 0.06 -0.18 0.54 0.00 0.00 0.00 175.76 176.23 1pma s VAL 177 N 0.55 2.68 -0.12 0.00 0.11 -0.16 -0.98 120.40 122.48 1pma s VAL 177 Ca -0.08 -0.82 0.03 0.00 -2.93 0.00 0.00 61.98 58.18 1pma s VAL 177 Cb -0.11 -2.07 0.01 0.00 -1.53 0.00 0.00 36.38 32.68 1pma s VAL 177 CO 0.01 0.55 -0.21 -0.51 -3.33 0.00 0.00 175.10 171.61 1pma s ILE 178 N 0.03 1.92 0.06 7.04 2.07 0.55 -1.37 121.20 131.50 1pma s ILE 178 Ca -0.06 -0.91 0.03 0.00 -1.41 0.00 0.00 60.65 58.29 1pma s ILE 178 Cb -0.15 -1.69 -0.03 0.00 0.13 0.00 0.00 42.46 40.72 1pma s ILE 178 CO 0.05 0.53 -0.09 0.28 -1.91 0.00 0.00 174.94 173.79 1pma s THR 179 N 0.68 0.74 0.40 4.00 -1.32 -0.69 -1.53 115.64 117.92 1pma s THR 179 Ca -0.11 -1.28 0.08 0.00 -1.21 0.00 0.00 61.69 59.16 1pma s THR 179 Cb -0.16 -0.91 0.23 0.00 -1.51 0.00 0.00 72.50 70.15 1pma s THR 179 CO 0.02 -0.41 2.01 -0.09 -2.21 0.00 0.00 174.62 173.94 1pma h ARG 180 N 4.19 0.44 0.38 7.08 9.65 -1.86 0.87 114.38 135.14 1pma h ARG 180 Ca -0.37 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.44 1pma h ARG 180 Cb 1.19 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 1pma h ARG 180 CO 0.44 0.37 -0.18 -0.22 2.80 0.00 0.00 179.97 183.17 1pma h LYS 181 N 0.44 -0.49 0.00 0.20 1.63 -1.96 -3.36 116.57 113.02 1pma h LYS 181 Ca 0.11 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1pma h LYS 181 Cb 0.09 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1pma h LYS 181 CO -0.01 -0.24 -1.85 -0.25 -3.45 0.00 0.00 179.45 173.65 1pma n ASP 182 N -5.25 0.58 0.00 4.20 8.00 -1.16 -5.11 116.55 117.81 1pma n ASP 182 Ca -0.11 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1pma n ASP 182 Cb 0.26 1.85 0.00 0.00 -0.02 0.00 0.00 41.12 43.21 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 1.40 -1.66 3.62 0.44 0.00 0.30 -4.81 105.19 104.48 1pma n GLY 183 Ca -0.03 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 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 3.04 -0.10 1.61 6.14 -1.12 -1.71 117.35 125.21 1pma s TYR 184 Ca 0.00 0.92 0.02 0.00 0.64 0.00 0.00 57.07 58.65 1pma s TYR 184 Cb 0.00 -3.85 0.02 0.00 0.42 0.00 0.00 41.96 38.54 1pma s TYR 184 CO 0.00 -0.91 -0.14 0.54 0.64 0.00 0.00 175.55 175.68 1pma s VAL 185 N 3.77 1.40 -0.13 3.14 0.11 -0.47 -4.99 120.40 123.22 1pma s VAL 185 Ca 0.43 -0.59 -0.17 0.00 -2.93 0.00 0.00 61.98 58.72 1pma s VAL 185 Cb -0.11 -1.29 -0.04 0.00 -1.53 0.00 0.00 36.38 33.41 1pma s VAL 185 CO 0.20 0.42 0.45 -1.58 -3.33 0.00 0.00 175.10 171.26 1pma s GLN 186 N 0.99 4.31 0.45 1.54 0.74 -1.26 -0.99 119.66 125.44 1pma s GLN 186 Ca -0.07 0.38 -0.24 0.00 0.05 0.00 0.00 55.36 55.48 1pma s GLN 186 Cb -0.15 -3.45 -0.08 0.00 1.10 0.00 0.00 33.01 30.44 1pma s GLN 186 CO -0.01 0.15 1.28 -0.51 -0.55 0.00 0.00 175.29 175.64 1pma s LEU 187 N 0.68 4.08 0.09 3.68 1.02 -0.37 -4.96 118.68 122.89 1pma s LEU 187 Ca 0.24 2.59 -0.31 0.00 0.02 0.00 0.00 54.13 56.67 1pma s LEU 187 Cb -0.15 -4.07 -0.09 0.00 0.02 0.00 0.00 46.19 41.90 1pma s LEU 187 CO 0.09 -1.02 1.74 -2.84 0.02 0.00 0.00 176.35 174.33 1pma s PRO 188 N -2.50 4.17 0.20 1.29 0.02 -1.26 -4.82 135.00 132.10 1pma s PRO 188 Ca 0.62 2.44 -0.13 0.00 0.02 0.00 0.00 61.00 63.95 1pma s PRO 188 Cb -0.36 -3.63 0.23 0.00 0.02 0.00 0.00 34.50 30.76 1pma s PRO 188 CO 0.45 -0.79 1.30 -2.37 -0.33 0.00 0.00 177.00 175.26 1pma n THR 189 N 4.79 -0.43 -0.02 0.99 5.66 -1.26 -0.29 114.28 123.72 1pma n THR 189 Ca 0.17 1.95 -0.09 0.00 -3.05 0.00 0.00 64.05 63.03 1pma n THR 189 Cb 0.40 -2.60 -0.03 0.00 -1.55 0.00 0.00 70.33 66.55 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 -0.20 -0.92 1.09 3.04 -1.99 -1.53 116.42 115.90 1pma h ASP 190 Ca 0.31 0.06 0.12 0.00 -3.24 0.00 0.00 57.03 54.27 1pma h ASP 190 Cb 0.52 0.12 -0.08 0.00 -1.04 0.00 0.00 39.33 38.85 1pma h ASP 190 CO -0.83 -0.08 0.55 -0.61 -2.04 0.00 0.00 179.24 176.23 1pma h GLN 191 N -0.03 0.85 0.81 4.15 4.15 -1.03 0.42 115.11 124.43 1pma h GLN 191 Ca 0.08 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 1pma h GLN 191 Cb 0.16 -0.19 0.01 0.00 0.21 0.00 0.00 27.48 27.66 1pma h GLN 191 CO -0.19 0.56 -0.39 0.82 -1.93 0.00 0.00 178.83 177.70 1pma h ILE 192 N 0.87 0.12 -0.25 2.39 2.04 -0.74 -1.85 117.51 120.09 1pma h ILE 192 Ca 0.46 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 66.28 1pma h ILE 192 Cb 0.48 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1pma h ILE 192 CO -0.27 0.01 0.20 1.05 0.00 0.00 0.00 178.15 179.14 1pma h GLU 193 N -1.19 0.00 0.53 2.37 4.11 -0.36 0.41 114.58 120.46 1pma h GLU 193 Ca -0.11 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.29 1pma h GLU 193 Cb 0.85 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.10 1pma h GLU 193 CO 0.18 0.00 -0.26 1.03 0.07 0.00 0.00 179.01 180.04 1pma h SER 194 N 0.00 -0.61 -1.00 3.06 0.87 0.12 -1.82 113.55 114.17 1pma h SER 194 Ca 0.12 0.02 0.15 0.00 -1.23 0.00 0.00 61.79 60.84 1pma h SER 194 Cb 0.53 0.16 -0.09 0.00 -0.44 0.00 0.00 62.40 62.55 1pma h SER 194 CO -0.00 -0.43 0.63 0.03 -0.53 0.00 0.00 176.83 176.53 1pma h ARG 195 N -0.73 0.88 0.26 2.24 3.08 -0.10 -1.06 114.38 118.95 1pma h ARG 195 Ca -0.07 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 59.93 1pma h ARG 195 Cb 0.55 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1pma h ARG 195 CO 0.12 0.58 -0.32 0.82 -1.07 0.00 0.00 179.97 180.10 1pma h ILE 196 N 0.91 0.33 0.01 2.04 2.04 -0.82 0.20 117.51 122.22 1pma h ILE 196 Ca 0.53 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.42 1pma h ILE 196 Cb 0.64 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 1pma h ILE 196 CO -0.30 0.00 -0.25 -0.09 0.00 0.00 0.00 178.15 177.51 1pma h ARG 197 N -0.63 -0.38 -0.62 2.37 2.43 -0.72 -0.63 114.38 116.21 1pma h ARG 197 Ca -0.00 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.30 1pma h ARG 197 Cb 0.60 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 30.15 1pma h ARG 197 CO -0.10 -0.25 0.17 -0.22 -1.51 0.00 0.00 179.97 178.06 1pma h LYS 198 N -0.39 0.31 0.00 0.20 3.64 -0.94 0.16 116.57 119.55 1pma h LYS 198 Ca 0.06 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1pma h LYS 198 Cb 0.47 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1pma h LYS 198 CO -0.21 0.20 0.00 1.28 -2.27 0.00 0.00 179.45 178.45 1pma n LEU 199 N -5.08 0.00 -0.35 5.20 4.77 0.68 -4.86 117.00 117.35 1pma n LEU 199 Ca 0.09 0.49 -0.05 0.00 -0.03 0.00 0.00 56.01 56.52 1pma n LEU 199 Cb 0.32 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.90 1pma n LEU 199 CO 0.19 -0.23 -0.04 0.61 -1.33 0.00 0.00 177.39 176.58 1pma n GLY 200 N 0.06 0.74 0.00 -0.72 0.00 0.58 -5.03 105.19 100.81 1pma n GLY 200 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.52 0.00 -3.82 0.99 4.32 -0.37 -5.01 117.00 112.58 1pma n LEU 201 Ca -0.05 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.82 1pma n LEU 201 Cb 0.16 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 41.87 1pma n LEU 201 CO 0.07 -0.37 -0.09 -0.51 -1.22 0.00 0.00 177.39 175.27 1pma s ILE 202 N -0.30 0.07 0.00 -0.08 2.07 -1.26 -4.68 121.20 117.02 1pma s ILE 202 Ca 0.00 -0.61 0.00 0.00 -1.41 0.00 0.00 60.65 58.63 1pma s ILE 202 Cb 0.00 -0.52 0.00 0.00 0.13 0.00 0.00 42.46 42.07 1pma s ILE 202 CO 0.00 -0.33 0.00 -0.11 -1.91 0.00 0.00 174.94 172.59