#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uo6 s VAL 2 N 0.00 5.16 -0.93 2.52 1.01 0.22 -4.13 120.40 124.25 1uo6 s VAL 2 Ca 0.00 0.74 -0.00 0.00 0.00 0.00 0.00 61.98 62.72 1uo6 s VAL 2 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1uo6 s VAL 2 CO 0.00 0.49 0.02 0.61 0.00 0.00 0.00 175.10 176.23 1uo6 n GLY 3 N 2.45 -0.08 4.01 4.51 0.00 -1.25 -1.74 105.19 113.09 1uo6 n GLY 3 Ca -0.13 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 1uo6 n GLY 3 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uo6 s GLY 4 N -2.53 1.74 0.16 -0.02 0.00 -1.26 -4.80 107.32 100.62 1uo6 s GLY 4 Ca 0.01 -1.93 0.08 0.00 0.00 0.00 0.00 44.72 42.88 1uo6 s GLY 4 CO 0.01 -1.36 -0.17 -0.51 0.00 0.00 0.00 173.10 171.07 1uo6 s THR 5 N -3.03 1.74 0.10 0.90 -4.23 0.29 -4.90 115.64 106.51 1uo6 s THR 5 Ca 0.66 -1.93 -0.31 0.00 -1.18 0.00 0.00 61.69 58.93 1uo6 s THR 5 Cb -0.05 -1.83 -0.08 0.00 1.34 0.00 0.00 72.50 71.89 1uo6 s THR 5 CO 0.43 -0.37 1.40 -0.70 -0.54 0.00 0.00 174.62 174.84 1uo6 s GLU 6 N -2.90 4.31 0.44 3.99 2.12 -1.26 -0.65 118.70 124.75 1uo6 s GLU 6 Ca 0.16 2.07 -0.23 0.00 0.36 0.00 0.00 54.97 57.33 1uo6 s GLU 6 Cb -0.05 -3.29 -0.08 0.00 0.26 0.00 0.00 34.13 30.97 1uo6 s GLU 6 CO 0.06 -0.46 1.11 0.00 -0.54 0.00 0.00 175.26 175.43 1uo6 s ALA 7 N 1.27 3.00 0.62 6.30 0.00 -0.14 -4.84 121.76 127.97 1uo6 s ALA 7 Ca 0.65 0.81 -0.18 0.00 0.00 0.00 0.00 51.96 53.24 1uo6 s ALA 7 Cb -0.36 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 1uo6 s ALA 7 CO 0.30 -0.45 1.18 -0.65 0.00 0.00 0.00 175.76 176.14 1uo6 s GLN 8 N -2.68 2.87 0.55 0.00 -1.52 -1.26 -4.87 119.66 112.76 1uo6 s GLN 8 Ca 0.62 1.73 0.26 0.00 -1.95 0.00 0.00 55.36 56.02 1uo6 s GLN 8 Cb -0.25 -1.93 1.47 0.00 -0.22 0.00 0.00 33.01 32.08 1uo6 s GLN 8 CO 0.30 -1.26 2.02 -0.09 -0.25 0.00 0.00 175.29 176.01 1uo6 h ARG 9 N 0.63 0.00 -0.06 2.91 2.43 -1.98 -2.65 114.38 115.66 1uo6 h ARG 9 Ca -0.49 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 1uo6 h ARG 9 Cb 1.29 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1uo6 h ARG 9 CO 0.54 0.00 -0.08 0.27 -1.51 0.00 0.00 179.97 179.20 1uo6 n ASN 10 N -4.14 2.50 0.10 -3.80 0.23 -1.26 -4.74 115.26 104.15 1uo6 n ASN 10 Ca 0.07 -3.24 -0.21 0.00 -0.53 0.00 0.00 54.58 50.67 1uo6 n ASN 10 Cb 0.51 -0.47 -0.13 0.00 -2.08 0.00 0.00 39.78 37.61 1uo6 n ASN 10 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1uo6 h SER 11 N 0.48 0.80 -2.16 0.53 0.02 -1.81 -3.40 113.55 108.00 1uo6 h SER 11 Ca 0.01 -0.77 -0.59 0.00 -0.84 0.00 0.00 61.79 59.61 1uo6 h SER 11 Cb 1.10 -0.25 -0.41 0.00 0.14 0.00 0.00 62.40 62.98 1uo6 h SER 11 CO 0.05 1.58 -0.78 0.79 -1.14 0.00 0.00 176.83 177.33 1uo6 n TRP 12 N -3.74 2.13 0.74 3.45 7.02 -1.26 -4.95 117.44 120.81 1uo6 n TRP 12 Ca -0.13 -3.94 0.08 0.00 -1.02 0.00 0.00 57.50 52.50 1uo6 n TRP 12 Cb 1.01 -0.47 0.41 0.00 -2.42 0.00 0.00 31.31 29.84 1uo6 n TRP 12 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 1uo6 n PRO 13 N 1.13 0.16 0.00 -0.99 -0.04 -1.26 -1.81 135.00 132.19 1uo6 n PRO 13 Ca 0.26 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 1uo6 n PRO 13 Cb 0.45 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.63 1uo6 n PRO 13 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1uo6 n SER 14 N -1.36 0.56 -4.74 3.54 3.41 -1.22 -1.90 113.62 111.91 1uo6 n SER 14 Ca 0.07 -0.33 -0.41 0.00 -0.26 0.00 0.00 58.87 57.93 1uo6 n SER 14 Cb 0.16 0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 1uo6 n SER 14 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1uo6 s GLN 15 N -2.99 4.36 0.27 4.33 2.00 -0.75 -0.73 119.66 126.16 1uo6 s GLN 15 Ca 0.11 2.09 0.10 0.00 -2.00 0.00 0.00 55.36 55.66 1uo6 s GLN 15 Cb 0.17 -3.19 -0.05 0.00 0.80 0.00 0.00 33.01 30.74 1uo6 s GLN 15 CO 0.71 -0.30 -0.15 0.96 -0.50 0.00 0.00 175.29 176.01 1uo6 s ILE 16 N 0.24 2.12 -0.22 -2.34 -5.25 -0.66 -4.55 121.20 110.54 1uo6 s ILE 16 Ca 0.58 -2.28 -0.06 0.00 -0.99 0.00 0.00 60.65 57.90 1uo6 s ILE 16 Cb -0.37 -2.32 -0.03 0.00 2.95 0.00 0.00 42.46 42.69 1uo6 s ILE 16 CO 0.38 -0.40 0.04 -0.55 -1.79 0.00 0.00 174.94 172.62 1uo6 s SER 17 N -3.47 5.09 -0.28 4.36 0.15 -0.76 -2.76 113.70 116.03 1uo6 s SER 17 Ca 0.28 -0.16 -0.13 0.00 0.70 0.00 0.00 55.95 56.64 1uo6 s SER 17 Cb -0.01 -1.89 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 1uo6 s SER 17 CO 0.13 0.03 0.28 -0.22 1.20 0.00 0.00 173.24 174.65 1uo6 s LEU 18 N 1.21 4.05 0.21 3.45 2.96 0.44 -1.08 118.68 129.92 1uo6 s LEU 18 Ca 0.04 0.10 0.09 0.00 -0.22 0.00 0.00 54.13 54.15 1uo6 s LEU 18 Cb -0.14 -2.26 -0.05 0.00 0.50 0.00 0.00 46.19 44.24 1uo6 s LEU 18 CO 0.03 -0.12 -0.18 -1.10 -1.32 0.00 0.00 176.35 173.65 1uo6 s GLN 19 N 1.90 1.41 0.13 1.98 -0.21 -0.15 -0.87 119.66 123.84 1uo6 s GLN 19 Ca 0.11 -1.56 0.08 0.00 0.02 0.00 0.00 55.36 54.01 1uo6 s GLN 19 Cb -0.16 -1.41 -0.04 0.00 1.00 0.00 0.00 33.01 32.40 1uo6 s GLN 19 CO 0.11 0.27 -0.20 1.52 -2.12 0.00 0.00 175.29 174.86 1uo6 s TYR 20 N -2.42 1.82 0.11 0.91 1.13 -0.10 -1.08 117.35 117.72 1uo6 s TYR 20 Ca 0.22 -0.44 -0.31 0.00 -1.41 0.00 0.00 57.07 55.13 1uo6 s TYR 20 Cb -0.04 -0.96 -0.07 0.00 -1.10 0.00 0.00 41.96 39.79 1uo6 s TYR 20 CO 0.09 0.26 1.33 0.50 -2.51 0.00 0.00 175.55 175.22 1uo6 s ARG 21 N -2.26 4.36 -0.27 -3.49 6.06 -0.50 -0.91 118.95 121.94 1uo6 s ARG 21 Ca 0.10 1.99 -0.03 0.00 -2.50 0.00 0.00 55.73 55.29 1uo6 s ARG 21 Cb -0.08 -3.27 0.09 0.00 0.06 0.00 0.00 34.95 31.75 1uo6 s ARG 21 CO 0.05 -0.37 0.11 0.45 -2.50 0.00 0.00 175.30 173.04 1uo6 s SER 22 N 1.03 3.45 1.74 -2.12 0.15 0.08 -4.79 113.70 113.24 1uo6 s SER 22 Ca 0.62 -1.24 0.00 0.00 0.70 0.00 0.00 55.95 56.03 1uo6 s SER 22 Cb -0.35 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.49 1uo6 s SER 22 CO 0.30 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1uo6 n GLY 23 N 5.14 3.70 1.04 9.45 0.00 -1.26 -1.10 105.19 122.17 1uo6 n GLY 23 Ca -0.05 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.02 1uo6 n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uo6 n SER 24 N 8.49 3.41 -3.38 1.61 3.41 -1.26 -4.98 113.62 120.93 1uo6 n SER 24 Ca 0.00 -1.96 -0.18 0.00 -0.26 0.00 0.00 58.87 56.46 1uo6 n SER 24 Cb 0.00 -0.33 -0.04 0.00 -0.26 0.00 0.00 64.21 63.58 1uo6 n SER 24 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1uo6 n SER 25 N 1.22 2.19 -4.25 4.04 3.41 -0.26 -5.15 113.62 114.83 1uo6 n SER 25 Ca 0.18 -2.36 -0.28 0.00 -0.26 0.00 0.00 58.87 56.15 1uo6 n SER 25 Cb 0.54 0.38 -0.16 0.00 -0.26 0.00 0.00 64.21 64.71 1uo6 n SER 25 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1uo6 s TRP 26 N -2.27 1.99 -0.08 7.33 0.52 -1.26 -0.74 118.94 124.42 1uo6 s TRP 26 Ca 0.05 -0.38 0.04 0.00 0.02 0.00 0.00 56.10 55.84 1uo6 s TRP 26 Cb 0.00 -1.28 -0.00 0.00 -1.15 0.00 0.00 33.47 31.04 1uo6 s TRP 26 CO 0.03 -0.04 -0.23 0.00 0.02 0.00 0.00 176.95 176.73 1uo6 s ALA 27 N -0.51 2.10 0.28 0.98 0.00 -0.08 -4.91 121.76 119.60 1uo6 s ALA 27 Ca 0.08 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.80 1uo6 s ALA 27 Cb -0.09 -0.75 -0.10 0.00 0.00 0.00 0.00 23.12 22.18 1uo6 s ALA 27 CO -0.01 0.31 1.41 -1.58 0.00 0.00 0.00 175.76 175.89 1uo6 s HIS 28 N 0.21 3.00 0.00 0.00 2.46 -1.26 -0.93 115.29 118.77 1uo6 s HIS 28 Ca -0.14 1.13 0.00 0.00 0.47 0.00 0.00 55.06 56.52 1uo6 s HIS 28 Cb -0.16 -3.80 0.00 0.00 -0.13 0.00 0.00 32.58 28.49 1uo6 s HIS 28 CO 0.07 -2.48 0.00 -2.37 -2.47 0.00 0.00 174.74 167.49 1uo6 n THR 29 N 1.85 0.00 -3.77 0.89 5.66 -0.05 -4.92 114.28 113.93 1uo6 n THR 29 Ca 0.05 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.96 1uo6 n THR 29 Cb 0.41 -0.45 -0.02 0.00 -1.55 0.00 0.00 70.33 68.71 1uo6 n THR 29 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1uo6 n GLY 31 N -0.43 1.49 3.66 0.00 0.00 0.10 -0.42 105.19 109.60 1uo6 n GLY 31 Ca -0.07 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1uo6 n GLY 31 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uo6 s GLY 32 N -2.99 -0.36 -0.12 -0.02 0.00 -1.11 -3.47 107.32 99.25 1uo6 s GLY 32 Ca 0.20 0.52 0.02 0.00 0.00 0.00 0.00 44.72 45.46 1uo6 s GLY 32 CO 0.13 0.13 -0.20 -1.59 0.00 0.00 0.00 173.10 171.57 1uo6 s THR 33 N -2.67 1.85 -0.05 0.90 2.01 0.46 -1.66 115.64 116.48 1uo6 s THR 33 Ca 0.14 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 60.98 1uo6 s THR 33 Cb 0.03 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 1uo6 s THR 33 CO -0.02 0.51 1.42 -0.22 -0.69 0.00 0.00 174.62 175.62 1uo6 s LEU 34 N 0.82 4.28 -0.00 4.42 2.96 0.09 -0.66 118.68 130.59 1uo6 s LEU 34 Ca -0.08 2.03 0.03 0.00 -0.22 0.00 0.00 54.13 55.89 1uo6 s LEU 34 Cb -0.16 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 1uo6 s LEU 34 CO -0.01 -0.77 0.08 2.30 -1.32 0.00 0.00 176.35 176.63 1uo6 n ILE 35 N 5.00 0.00 -4.13 6.68 -5.35 -0.28 -0.10 119.36 121.18 1uo6 n ILE 35 Ca 0.14 -0.12 -0.09 0.00 -0.27 0.00 0.00 62.75 62.40 1uo6 n ILE 35 Cb 0.44 0.51 -0.10 0.00 -1.74 0.00 0.00 39.64 38.75 1uo6 n ILE 35 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1uo6 s ARG 36 N -2.08 0.91 0.62 6.28 1.81 -0.99 -4.73 118.95 120.77 1uo6 s ARG 36 Ca -0.01 -1.40 0.38 0.00 -1.72 0.00 0.00 55.73 52.98 1uo6 s ARG 36 Cb 0.02 0.25 2.08 0.00 -0.45 0.00 0.00 34.95 36.85 1uo6 s ARG 36 CO 0.13 -0.25 2.28 1.96 -0.68 0.00 0.00 175.30 178.74 1uo6 h GLN 37 N 2.88 0.00 0.00 3.54 4.20 -1.96 -2.36 115.11 121.41 1uo6 h GLN 37 Ca -0.35 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.36 1uo6 h GLN 37 Cb 1.19 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.96 1uo6 h GLN 37 CO 0.59 0.01 -0.18 0.27 -0.67 0.00 0.00 178.83 178.85 1uo6 n ASN 38 N -3.37 1.89 -3.88 1.46 6.94 -1.26 -1.52 115.26 115.52 1uo6 n ASN 38 Ca -0.03 -3.04 -0.14 0.00 -0.02 0.00 0.00 54.58 51.35 1uo6 n ASN 38 Cb 0.11 -0.41 -0.14 0.00 -2.36 0.00 0.00 39.78 36.97 1uo6 n ASN 38 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 1uo6 s TRP 39 N -2.46 0.17 -0.02 -2.53 0.52 -0.89 -0.77 118.94 112.96 1uo6 s TRP 39 Ca 0.29 -0.02 0.07 0.00 0.02 0.00 0.00 56.10 56.46 1uo6 s TRP 39 Cb 0.26 -0.15 -0.02 0.00 -1.15 0.00 0.00 33.47 32.42 1uo6 s TRP 39 CO 0.00 -0.02 -0.22 0.08 0.02 0.00 0.00 176.95 176.81 1uo6 s VAL 40 N 0.15 1.76 -0.22 4.03 1.01 -0.08 -1.12 120.40 125.93 1uo6 s VAL 40 Ca -0.01 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 1uo6 s VAL 40 Cb -0.03 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 1uo6 s VAL 40 CO -0.00 0.50 0.20 -0.32 0.00 0.00 0.00 175.10 175.47 1uo6 s MET 41 N -0.48 4.11 0.06 2.72 1.75 0.17 -0.23 119.30 127.40 1uo6 s MET 41 Ca 0.07 -0.17 0.01 0.00 -1.25 0.00 0.00 55.69 54.35 1uo6 s MET 41 Cb -0.09 -3.52 -0.00 0.00 2.84 0.00 0.00 34.83 34.06 1uo6 s MET 41 CO -0.00 0.08 0.06 -2.37 -0.65 0.00 0.00 175.02 172.14 1uo6 n THR 42 N 4.16 0.00 -3.28 10.11 5.66 -0.23 -0.40 114.28 130.30 1uo6 n THR 42 Ca -0.14 -0.41 -0.38 0.00 -3.05 0.00 0.00 64.05 60.07 1uo6 n THR 42 Cb 0.52 0.22 -0.06 0.00 -1.55 0.00 0.00 70.33 69.45 1uo6 n THR 42 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1uo6 s ALA 43 N -2.11 3.58 0.32 1.79 0.00 -1.26 -1.24 121.76 122.84 1uo6 s ALA 43 Ca 0.07 0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.06 1uo6 s ALA 43 Cb 0.00 -2.62 0.58 0.00 0.00 0.00 0.00 23.12 21.08 1uo6 s ALA 43 CO 0.05 0.41 1.93 0.00 0.00 0.00 0.00 175.76 178.14 1uo6 h ALA 44 N 4.37 1.56 0.00 0.00 0.00 -1.68 -2.32 119.26 121.19 1uo6 h ALA 44 Ca -0.49 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1uo6 h ALA 44 Cb 1.21 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1uo6 h ALA 44 CO 0.64 0.32 -0.05 1.12 0.00 0.00 0.00 179.25 181.28 1uo6 h HIS 45 N 0.96 0.00 0.00 0.00 2.07 -1.92 -1.46 115.15 114.80 1uo6 h HIS 45 Ca 0.36 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.83 1uo6 h HIS 45 Cb 0.19 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.16 1uo6 h HIS 45 CO -0.00 0.05 -0.25 0.00 -3.07 0.00 0.00 177.93 174.66 1uo6 n VAL 47 N -3.62 2.49 -0.11 0.00 0.24 -0.55 -4.58 118.33 112.20 1uo6 n VAL 47 Ca -0.01 -2.73 -0.13 0.00 -2.04 0.00 0.00 64.34 59.43 1uo6 n VAL 47 Cb 0.38 -0.31 -0.03 0.00 -1.47 0.00 0.00 33.84 32.41 1uo6 n VAL 47 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1uo6 h ASP 48 N 1.03 0.82 -4.02 -1.34 3.32 -1.50 -3.44 116.42 111.29 1uo6 h ASP 48 Ca 0.18 -0.45 -0.49 0.00 0.02 0.00 0.00 57.03 56.29 1uo6 h ASP 48 Cb 1.57 -0.23 0.05 0.00 0.22 0.00 0.00 39.33 40.94 1uo6 h ASP 48 CO 0.33 1.10 0.44 -0.13 -1.72 0.00 0.00 179.24 179.26 1uo6 s ARG 49 N -4.44 3.80 -0.44 3.56 0.52 -1.26 -4.91 118.95 115.78 1uo6 s ARG 49 Ca -0.12 1.60 -0.07 0.00 -0.52 0.00 0.00 55.73 56.62 1uo6 s ARG 49 Cb 0.10 -2.31 -0.21 0.00 0.52 0.00 0.00 34.95 33.05 1uo6 s ARG 49 CO 0.84 -0.47 3.30 -1.91 0.02 0.00 0.00 175.30 177.08 1uo6 n GLU 50 N -0.62 2.36 -2.82 3.54 4.07 -1.26 -4.91 120.64 121.00 1uo6 n GLU 50 Ca 0.08 -1.28 -0.19 0.00 -0.06 0.00 0.00 57.16 55.71 1uo6 n GLU 50 Cb 0.50 -2.20 0.02 0.00 -0.06 0.00 0.00 31.44 29.71 1uo6 n GLU 50 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1uo6 s LEU 51 N 0.05 3.46 -0.25 4.31 1.43 -1.26 -5.07 118.68 121.34 1uo6 s LEU 51 Ca 0.64 -0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 53.38 1uo6 s LEU 51 Cb 0.27 -2.78 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 1uo6 s LEU 51 CO -0.02 -0.96 0.50 -0.89 0.23 0.00 0.00 176.35 175.21 1uo6 s THR 52 N -2.57 5.09 0.11 5.49 2.01 -1.26 -5.02 115.64 119.49 1uo6 s THR 52 Ca 0.56 0.85 0.07 0.00 0.31 0.00 0.00 61.69 63.49 1uo6 s THR 52 Cb -0.10 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1uo6 s THR 52 CO 0.36 0.11 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.94 1uo6 s PHE 53 N 2.15 2.72 0.10 4.92 0.08 -1.26 -1.41 117.98 125.28 1uo6 s PHE 53 Ca 0.21 -0.17 0.02 0.00 0.12 0.00 0.00 56.93 57.11 1uo6 s PHE 53 Cb -0.16 -1.42 -0.04 0.00 -0.57 0.00 0.00 43.02 40.84 1uo6 s PHE 53 CO 0.09 0.43 -0.07 -0.98 -0.10 0.00 0.00 175.22 174.59 1uo6 s ARG 54 N -2.25 0.83 -0.04 0.44 1.70 -0.24 -2.65 118.95 116.73 1uo6 s ARG 54 Ca 0.21 -1.27 0.05 0.00 -0.47 0.00 0.00 55.73 54.25 1uo6 s ARG 54 Cb -0.11 -0.28 -0.02 0.00 -0.57 0.00 0.00 34.95 33.97 1uo6 s ARG 54 CO 0.14 0.01 -0.17 0.08 -1.08 0.00 0.00 175.30 174.27 1uo6 s VAL 55 N -3.28 2.80 -0.19 4.99 1.01 0.50 -0.98 120.40 125.25 1uo6 s VAL 55 Ca 0.10 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 1uo6 s VAL 55 Cb 0.03 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.35 1uo6 s VAL 55 CO -0.03 0.59 -0.16 -0.69 0.00 0.00 0.00 175.10 174.80 1uo6 s VAL 56 N -0.68 2.40 0.16 2.92 1.01 -0.24 -1.28 120.40 124.68 1uo6 s VAL 56 Ca 0.11 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.30 1uo6 s VAL 56 Cb -0.11 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1uo6 s VAL 56 CO 0.00 0.51 0.16 0.68 0.00 0.00 0.00 175.10 176.46 1uo6 s VAL 57 N 1.31 4.65 -0.97 2.92 -7.23 -0.70 -1.83 120.40 118.55 1uo6 s VAL 57 Ca 0.05 -1.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 1uo6 s VAL 57 Cb -0.13 -3.37 0.00 0.00 0.56 0.00 0.00 36.38 33.43 1uo6 s VAL 57 CO -0.10 -0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.20 1uo6 n GLY 58 N -0.36 0.14 3.74 2.32 0.00 -1.25 -1.52 105.19 108.26 1uo6 n GLY 58 Ca -0.08 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 1uo6 n GLY 58 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1uo6 s GLU 59 N -4.27 4.21 0.00 1.61 2.56 -1.26 -3.18 118.70 118.37 1uo6 s GLU 59 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.97 55.13 1uo6 s GLU 59 Cb 0.00 -3.40 0.00 0.00 2.00 0.00 0.00 34.13 32.73 1uo6 s GLU 59 CO 0.00 0.28 0.00 1.58 -0.56 0.00 0.00 175.26 176.56 1uo6 n HIS 60 N 3.40 0.00 -3.91 5.30 -0.00 -1.26 -4.93 115.22 113.82 1uo6 n HIS 60 Ca -0.12 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.25 1uo6 n HIS 60 Cb 0.52 0.03 -0.14 0.00 -0.00 0.00 0.00 29.99 30.40 1uo6 n HIS 60 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1uo6 s ASN 61 N -4.87 4.44 0.55 0.26 3.84 -1.26 -1.31 114.94 116.60 1uo6 s ASN 61 Ca 0.00 -0.71 0.22 0.00 0.21 0.00 0.00 52.86 52.58 1uo6 s ASN 61 Cb 0.00 -1.72 1.51 0.00 -0.55 0.00 0.00 41.25 40.49 1uo6 s ASN 61 CO 0.00 -0.11 2.19 -0.07 -2.79 0.00 0.00 177.10 176.32 1uo6 h LEU 62 N 8.08 0.00 -2.07 3.21 3.38 -1.32 -3.14 115.31 123.45 1uo6 h LEU 62 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1uo6 h LEU 62 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1uo6 h LEU 62 CO 0.59 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.71 1uo6 n ASN 63 N -4.23 2.69 -4.07 -0.43 4.13 -1.26 -5.01 115.26 107.08 1uo6 n ASN 63 Ca -0.03 -1.78 -0.12 0.00 1.68 0.00 0.00 54.58 54.33 1uo6 n ASN 63 Cb 0.11 -0.12 -0.11 0.00 -1.54 0.00 0.00 39.78 38.11 1uo6 n ASN 63 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1uo6 s GLN 64 N -1.20 0.55 -0.10 3.52 -0.21 -1.19 -5.11 119.66 115.91 1uo6 s GLN 64 Ca 0.24 -0.84 -0.29 0.00 0.02 0.00 0.00 55.36 54.49 1uo6 s GLN 64 Cb 0.15 -0.21 -0.03 0.00 1.00 0.00 0.00 33.01 33.91 1uo6 s GLN 64 CO 0.21 0.02 1.44 1.21 -2.12 0.00 0.00 175.29 176.05 1uo6 s ASN 65 N -1.82 6.82 0.23 5.90 2.47 -1.26 -4.64 114.94 122.64 1uo6 s ASN 65 Ca -0.07 1.96 0.23 0.00 0.42 0.00 0.00 52.86 55.40 1uo6 s ASN 65 Cb -0.07 -2.54 0.14 0.00 -1.45 0.00 0.00 41.25 37.33 1uo6 s ASN 65 CO -0.01 -0.83 1.21 0.44 -3.72 0.00 0.00 177.10 174.19 1uo6 h ASP 66 N 8.76 0.00 0.00 -4.21 3.32 -1.92 -3.48 116.42 118.89 1uo6 h ASP 66 Ca -0.33 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1uo6 h ASP 66 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1uo6 h ASP 66 CO 0.96 0.02 0.00 0.61 -1.72 0.00 0.00 179.24 179.11 1uo6 n GLY 67 N 1.19 0.54 0.00 2.75 0.00 -1.26 -4.84 105.19 103.57 1uo6 n GLY 67 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1uo6 n GLY 67 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1uo6 n THR 68 N -2.92 0.00 -2.47 2.61 -2.24 -1.26 -5.10 114.28 102.90 1uo6 n THR 68 Ca 0.00 -0.26 -0.34 0.00 -2.27 0.00 0.00 64.05 61.18 1uo6 n THR 68 Cb 0.00 1.30 -0.03 0.00 -2.10 0.00 0.00 70.33 69.50 1uo6 n THR 68 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1uo6 s GLU 69 N -0.20 3.70 -0.07 -0.78 8.01 -1.19 -4.47 118.70 123.69 1uo6 s GLU 69 Ca 0.00 1.39 0.01 0.00 0.01 0.00 0.00 54.97 56.39 1uo6 s GLU 69 Cb 0.00 -2.08 0.02 0.00 -4.31 0.00 0.00 34.13 27.76 1uo6 s GLU 69 CO 0.00 -0.52 -0.09 -0.65 0.01 0.00 0.00 175.26 174.00 1uo6 s GLN 70 N -3.29 1.46 -0.20 1.61 -0.21 -0.57 -5.00 119.66 113.46 1uo6 s GLN 70 Ca 0.68 -0.30 -0.06 0.00 0.02 0.00 0.00 55.36 55.70 1uo6 s GLN 70 Cb -0.18 -1.34 -0.03 0.00 1.00 0.00 0.00 33.01 32.47 1uo6 s GLN 70 CO 0.22 -0.08 0.02 0.71 -2.12 0.00 0.00 175.29 174.04 1uo6 s TYR 71 N 1.03 3.09 -0.01 0.91 1.51 -1.26 -1.72 117.35 120.89 1uo6 s TYR 71 Ca -0.08 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.67 1uo6 s TYR 71 Cb -0.15 -2.10 0.01 0.00 -0.11 0.00 0.00 41.96 39.62 1uo6 s TYR 71 CO -0.00 -0.15 -0.00 0.08 -1.11 0.00 0.00 175.55 174.36 1uo6 s VAL 72 N 0.92 0.10 0.65 0.71 1.01 -0.40 -5.00 120.40 118.39 1uo6 s VAL 72 Ca 0.02 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 1uo6 s VAL 72 Cb -0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 1uo6 s VAL 72 CO 0.02 0.08 1.09 -0.83 0.00 0.00 0.00 175.10 175.46 1uo6 s GLY 73 N 0.50 2.04 -0.31 4.51 0.00 -1.26 -0.37 107.32 112.44 1uo6 s GLY 73 Ca -0.05 0.42 -0.17 0.00 0.00 0.00 0.00 44.72 44.92 1uo6 s GLY 73 CO -0.01 0.76 0.48 0.14 0.00 0.00 0.00 173.10 174.47 1uo6 s VAL 74 N -2.51 5.07 -0.06 1.40 1.01 -1.08 -0.85 120.40 123.37 1uo6 s VAL 74 Ca 0.64 0.53 0.03 0.00 0.00 0.00 0.00 61.98 63.19 1uo6 s VAL 74 Cb -0.18 -3.87 -0.25 0.00 0.00 0.00 0.00 36.38 32.08 1uo6 s VAL 74 CO 0.43 -0.05 0.58 -0.61 0.00 0.00 0.00 175.10 175.45 1uo6 h GLN 75 N 8.27 0.14 -2.95 2.72 4.15 -1.23 -3.46 115.11 122.74 1uo6 h GLN 75 Ca -0.29 -0.23 -0.15 0.00 0.77 0.00 0.00 58.65 58.75 1uo6 h GLN 75 Cb 1.14 0.09 -0.25 0.00 0.21 0.00 0.00 27.48 28.66 1uo6 h GLN 75 CO 0.73 0.86 -0.36 0.21 -1.93 0.00 0.00 178.83 178.35 1uo6 s LYS 76 N -2.59 0.36 -0.18 1.69 2.20 -1.09 -4.99 119.74 115.14 1uo6 s LYS 76 Ca -0.12 0.47 -0.00 0.00 -0.36 0.00 0.00 55.97 55.96 1uo6 s LYS 76 Cb 0.07 0.14 0.01 0.00 -1.51 0.00 0.00 37.83 36.54 1uo6 s LYS 76 CO 0.81 -0.06 -0.16 0.42 -0.36 0.00 0.00 175.35 176.00 1uo6 s ILE 77 N 0.34 2.48 -0.34 5.43 1.01 -1.26 -0.64 121.20 128.21 1uo6 s ILE 77 Ca -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1uo6 s ILE 77 Cb -0.03 -2.06 0.09 0.00 0.01 0.00 0.00 42.46 40.46 1uo6 s ILE 77 CO -0.01 0.51 0.07 -0.69 0.00 0.00 0.00 174.94 174.82 1uo6 s VAL 78 N 1.20 2.76 0.32 2.92 1.01 0.22 -5.00 120.40 123.84 1uo6 s VAL 78 Ca 0.02 -1.95 -0.12 0.00 0.00 0.00 0.00 61.98 59.93 1uo6 s VAL 78 Cb -0.14 -2.84 -0.08 0.00 0.00 0.00 0.00 36.38 33.33 1uo6 s VAL 78 CO -0.07 -0.45 0.69 -0.69 0.00 0.00 0.00 175.10 174.58 1uo6 s VAL 79 N 1.08 4.78 0.26 2.92 1.01 -1.26 -0.73 120.40 128.46 1uo6 s VAL 79 Ca 0.04 0.71 -0.31 0.00 0.00 0.00 0.00 61.98 62.42 1uo6 s VAL 79 Cb -0.21 -3.65 -0.12 0.00 0.00 0.00 0.00 36.38 32.40 1uo6 s VAL 79 CO -0.05 -0.25 1.59 1.57 0.00 0.00 0.00 175.10 177.96 1uo6 n HIS 80 N -0.58 2.68 0.28 5.22 -0.00 -0.79 -4.85 115.22 117.17 1uo6 n HIS 80 Ca 0.02 0.24 0.14 0.00 0.46 0.00 0.00 57.72 58.58 1uo6 n HIS 80 Cb 0.53 -2.59 0.67 0.00 -0.12 0.00 0.00 29.99 28.49 1uo6 n HIS 80 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1uo6 h PRO 81 N 5.19 0.00 -0.02 1.57 0.13 -1.93 -1.85 132.00 135.09 1uo6 h PRO 81 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1uo6 h PRO 81 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1uo6 h PRO 81 CO 0.83 0.00 -0.12 0.66 -0.23 0.00 0.00 178.00 179.14 1uo6 n TYR 82 N -2.49 0.00 -1.77 1.56 4.01 -1.26 -4.96 117.16 112.25 1uo6 n TYR 82 Ca -0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 1uo6 n TYR 82 Cb 0.14 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.15 1uo6 n TYR 82 CO 0.00 0.00 0.00 1.87 -0.46 0.00 0.00 176.86 178.27 1uo6 n TRP 83 N 0.56 2.98 -3.79 -0.72 -0.00 -0.70 -4.92 117.44 110.85 1uo6 n TRP 83 Ca 0.14 0.37 -0.27 0.00 -0.00 0.00 0.00 57.50 57.74 1uo6 n TRP 83 Cb 0.48 -2.56 -0.17 0.00 -0.00 0.00 0.00 31.31 29.07 1uo6 n TRP 83 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1uo6 s ASN 84 N 0.11 2.71 0.60 5.87 2.47 -1.26 -5.04 114.94 120.40 1uo6 s ASN 84 Ca 0.57 -0.67 0.32 0.00 0.42 0.00 0.00 52.86 53.49 1uo6 s ASN 84 Cb -0.48 -0.68 1.86 0.00 -1.45 0.00 0.00 41.25 40.50 1uo6 s ASN 84 CO 0.58 -0.25 2.22 0.00 -3.72 0.00 0.00 177.10 175.93 1uo6 h THR 85 N 6.46 0.41 -0.53 -5.21 1.03 -1.98 -1.23 112.91 111.86 1uo6 h THR 85 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.21 1uo6 h THR 85 Cb 1.12 0.94 0.00 0.00 -1.07 0.00 0.00 68.15 69.14 1uo6 h THR 85 CO 0.34 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.32 1uo6 n ASP 86 N -3.69 3.44 -3.07 0.00 8.00 -1.26 -4.44 116.55 115.54 1uo6 n ASP 86 Ca -0.02 -2.20 -0.19 0.00 0.71 0.00 0.00 54.79 53.10 1uo6 n ASP 86 Cb 0.16 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.79 1uo6 n ASP 86 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1uo6 n ASP 87 N 0.95 -0.54 0.25 -2.24 -0.08 -0.46 -4.97 116.55 109.46 1uo6 n ASP 87 Ca 0.19 -2.94 0.08 0.00 -1.51 0.00 0.00 54.79 50.62 1uo6 n ASP 87 Cb 0.61 0.06 0.62 0.00 2.34 0.00 0.00 41.12 44.74 1uo6 n ASP 87 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 1uo6 h VAL 88 N 2.12 0.95 0.00 5.18 3.04 -1.78 -1.81 116.25 123.95 1uo6 h VAL 88 Ca 0.02 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 1uo6 h VAL 88 Cb 0.94 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 1uo6 h VAL 88 CO 0.42 0.11 0.00 0.00 -1.01 0.00 0.00 177.57 177.09 1uo6 h ALA 89 N 1.89 1.00 0.00 3.17 0.00 -1.93 -1.98 119.26 121.41 1uo6 h ALA 89 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uo6 h ALA 89 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1uo6 h ALA 89 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1uo6 h ALA 90 N 2.18 1.00 0.00 0.00 0.00 -1.62 -3.43 119.26 117.38 1uo6 h ALA 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uo6 h ALA 90 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1uo6 h ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1uo6 n GLY 91 N 0.67 -1.89 2.37 0.00 0.00 -0.75 -5.00 105.19 100.59 1uo6 n GLY 91 Ca 0.03 -2.01 -0.16 0.00 0.00 0.00 0.00 46.02 43.87 1uo6 n GLY 91 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1uo6 n TYR 92 N 0.00 -0.48 -2.59 1.61 4.01 -1.26 -4.66 117.16 113.79 1uo6 n TYR 92 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 1uo6 n TYR 92 Cb 0.00 -3.11 0.00 0.00 -0.31 0.00 0.00 39.34 35.92 1uo6 n TYR 92 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1uo6 n ASP 93 N -0.90 4.97 -3.64 7.72 2.03 -1.26 -4.39 116.55 121.08 1uo6 n ASP 93 Ca -0.18 -2.97 -0.15 0.00 0.52 0.00 0.00 54.79 52.01 1uo6 n ASP 93 Cb 0.60 -1.61 -0.08 0.00 -0.72 0.00 0.00 41.12 39.31 1uo6 n ASP 93 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1uo6 s ILE 94 N 2.26 0.02 -0.01 5.18 2.07 -1.26 -3.85 121.20 125.61 1uo6 s ILE 94 Ca 0.46 -0.13 -0.21 0.00 -1.41 0.00 0.00 60.65 59.35 1uo6 s ILE 94 Cb 0.03 -0.83 0.04 0.00 0.13 0.00 0.00 42.46 41.84 1uo6 s ILE 94 CO 0.01 -0.07 0.46 0.00 -1.91 0.00 0.00 174.94 173.43 1uo6 s ALA 95 N -0.77 -1.16 -0.08 1.50 0.00 -0.38 -1.89 121.76 118.98 1uo6 s ALA 95 Ca -0.08 0.64 0.03 0.00 0.00 0.00 0.00 51.96 52.54 1uo6 s ALA 95 Cb -0.03 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 1uo6 s ALA 95 CO 0.06 -0.35 -0.15 -0.51 0.00 0.00 0.00 175.76 174.81 1uo6 s LEU 96 N -1.47 2.67 -0.20 0.00 1.43 0.09 -1.06 118.68 120.13 1uo6 s LEU 96 Ca -0.11 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 1uo6 s LEU 96 Cb -0.02 -1.56 -0.00 0.00 0.03 0.00 0.00 46.19 44.64 1uo6 s LEU 96 CO 0.04 0.27 -0.09 -0.76 0.23 0.00 0.00 176.35 176.05 1uo6 s LEU 97 N -0.30 2.70 -0.15 1.79 1.43 0.68 -0.61 118.68 124.23 1uo6 s LEU 97 Ca 0.02 -0.45 -0.23 0.00 -1.03 0.00 0.00 54.13 52.45 1uo6 s LEU 97 Cb -0.13 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 1uo6 s LEU 97 CO 0.03 -0.00 0.70 -0.60 0.23 0.00 0.00 176.35 176.71 1uo6 s ARG 98 N 1.36 4.31 0.44 1.70 3.52 0.18 -0.90 118.95 129.57 1uo6 s ARG 98 Ca 0.04 0.80 -0.16 0.00 -0.13 0.00 0.00 55.73 56.29 1uo6 s ARG 98 Cb -0.14 -3.53 -0.08 0.00 -1.56 0.00 0.00 34.95 29.64 1uo6 s ARG 98 CO -0.05 -0.15 0.89 -0.51 -0.81 0.00 0.00 175.30 174.67 1uo6 s LEU 99 N 1.58 3.80 0.34 -0.88 1.43 0.05 -0.80 118.68 124.20 1uo6 s LEU 99 Ca 0.34 1.45 0.12 0.00 -1.03 0.00 0.00 54.13 55.01 1uo6 s LEU 99 Cb -0.17 -4.34 0.60 0.00 0.03 0.00 0.00 46.19 42.32 1uo6 s LEU 99 CO 0.13 -0.44 1.76 0.00 0.23 0.00 0.00 176.35 178.03 1uo6 h ALA 100 N 1.40 1.26 -2.49 4.21 0.00 -1.32 -3.43 119.26 118.88 1uo6 h ALA 100 Ca -0.47 -0.40 -0.39 0.00 0.00 0.00 0.00 54.91 53.64 1uo6 h ALA 100 Cb 1.18 -0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.74 1uo6 h ALA 100 CO 0.62 0.56 -0.74 -0.65 0.00 0.00 0.00 179.25 179.04 1uo6 s GLN 101 N -4.03 1.12 -0.19 0.00 1.11 -1.26 -5.04 119.66 111.35 1uo6 s GLN 101 Ca -0.02 -1.40 -0.21 0.00 0.01 0.00 0.00 55.36 53.73 1uo6 s GLN 101 Cb 0.14 -0.87 -0.03 0.00 -1.01 0.00 0.00 33.01 31.25 1uo6 s GLN 101 CO 0.74 0.14 0.63 -1.12 0.01 0.00 0.00 175.29 175.69 1uo6 s SER 102 N -2.92 6.70 0.69 5.90 0.01 -1.26 -4.67 113.70 118.14 1uo6 s SER 102 Ca 0.15 0.84 -0.11 0.00 1.31 0.00 0.00 55.95 58.14 1uo6 s SER 102 Cb -0.01 -2.35 0.01 0.00 0.21 0.00 0.00 66.02 63.87 1uo6 s SER 102 CO 0.03 -0.27 1.06 0.68 0.41 0.00 0.00 173.24 175.15 1uo6 s VAL 103 N 1.88 3.96 -0.13 3.43 -7.23 -0.57 -4.98 120.40 116.76 1uo6 s VAL 103 Ca 0.29 0.67 -0.17 0.00 -1.81 0.00 0.00 61.98 60.96 1uo6 s VAL 103 Cb -0.16 -3.37 -0.04 0.00 0.56 0.00 0.00 36.38 33.37 1uo6 s VAL 103 CO 0.10 -0.80 0.42 -0.89 -0.31 0.00 0.00 175.10 173.63 1uo6 s THR 104 N -2.96 5.22 0.30 5.32 2.01 -1.26 -4.87 115.64 119.39 1uo6 s THR 104 Ca 0.59 0.83 -0.17 0.00 0.31 0.00 0.00 61.69 63.25 1uo6 s THR 104 Cb -0.14 -3.76 -0.09 0.00 0.01 0.00 0.00 72.50 68.52 1uo6 s THR 104 CO 0.53 0.35 0.75 -0.76 -0.69 0.00 0.00 174.62 174.80 1uo6 s LEU 105 N 0.54 4.15 0.00 4.42 1.43 -1.26 -4.80 118.68 123.15 1uo6 s LEU 105 Ca 0.23 1.36 0.00 0.00 -1.03 0.00 0.00 54.13 54.69 1uo6 s LEU 105 Cb -0.14 -3.96 0.00 0.00 0.03 0.00 0.00 46.19 42.12 1uo6 s LEU 105 CO 0.08 -0.14 0.00 -0.46 0.23 0.00 0.00 176.35 176.06 1uo6 n ASN 106 N -0.03 0.00 0.19 2.29 0.23 -0.50 -4.96 115.26 112.49 1uo6 n ASN 106 Ca 0.02 -0.84 0.14 0.00 -0.53 0.00 0.00 54.58 53.37 1uo6 n ASN 106 Cb 0.52 0.00 0.65 0.00 -2.08 0.00 0.00 39.78 38.87 1uo6 n ASN 106 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1uo6 h SER 107 N 0.00 0.00 -0.00 0.53 4.64 -1.99 -2.48 113.55 114.24 1uo6 h SER 107 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uo6 h SER 107 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1uo6 h SER 107 CO 0.00 0.00 -0.93 -1.22 -0.87 0.00 0.00 176.83 173.81 1uo6 n TYR 108 N -2.52 0.00 -3.66 4.77 4.01 -1.26 -4.74 117.16 113.76 1uo6 n TYR 108 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.46 1uo6 n TYR 108 Cb 0.17 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.05 1uo6 n TYR 108 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1uo6 s VAL 109 N -2.88 0.40 0.08 -0.72 1.01 -0.94 -3.77 120.40 113.59 1uo6 s VAL 109 Ca 0.08 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1uo6 s VAL 109 Cb 0.15 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1uo6 s VAL 109 CO 0.82 -0.52 -0.01 -1.10 0.00 0.00 0.00 175.10 174.29 1uo6 s GLN 110 N 1.88 0.73 0.34 2.72 -1.52 -0.80 -1.40 119.66 121.61 1uo6 s GLN 110 Ca 0.06 -1.30 -0.26 0.00 -1.95 0.00 0.00 55.36 51.91 1uo6 s GLN 110 Cb -0.17 0.18 -0.10 0.00 -0.22 0.00 0.00 33.01 32.70 1uo6 s GLN 110 CO -0.22 -0.15 0.99 -0.51 -0.25 0.00 0.00 175.29 175.15 1uo6 s LEU 111 N -2.97 4.32 0.18 2.90 1.43 -1.26 -3.44 118.68 119.84 1uo6 s LEU 111 Ca 0.13 1.95 -0.30 0.00 -1.03 0.00 0.00 54.13 54.88 1uo6 s LEU 111 Cb 0.08 -4.00 -0.08 0.00 0.03 0.00 0.00 46.19 42.22 1uo6 s LEU 111 CO -0.06 -0.19 0.94 -0.83 0.23 0.00 0.00 176.35 176.45 1uo6 s GLY 112 N -1.50 3.06 -0.02 -3.19 0.00 0.85 -4.83 107.32 101.70 1uo6 s GLY 112 Ca 0.51 0.59 -0.28 0.00 0.00 0.00 0.00 44.72 45.54 1uo6 s GLY 112 CO 0.27 1.29 0.90 0.14 0.00 0.00 0.00 173.10 175.70 1uo6 s VAL 113 N -0.67 4.92 0.09 1.40 1.01 -1.26 -4.81 120.40 121.08 1uo6 s VAL 113 Ca 0.43 1.87 0.03 0.00 0.00 0.00 0.00 61.98 64.31 1uo6 s VAL 113 Cb -0.25 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 1uo6 s VAL 113 CO 0.31 0.18 0.11 -0.76 0.00 0.00 0.00 175.10 174.94 1uo6 s LEU 114 N 0.98 3.88 0.81 3.92 1.43 -1.26 -0.43 118.68 128.01 1uo6 s LEU 114 Ca 0.47 0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.48 1uo6 s LEU 114 Cb -0.20 -2.55 0.08 0.00 0.03 0.00 0.00 46.19 43.56 1uo6 s LEU 114 CO 0.25 0.16 1.09 -2.16 0.23 0.00 0.00 176.35 175.91 1uo6 s PRO 115 N -2.51 1.93 0.51 1.29 0.04 -1.26 -4.91 135.00 130.09 1uo6 s PRO 115 Ca 0.30 1.01 -0.21 0.00 0.04 0.00 0.00 61.00 62.15 1uo6 s PRO 115 Cb -0.12 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 1uo6 s PRO 115 CO 0.23 -1.83 1.13 1.03 0.04 0.00 0.00 177.00 177.61 1uo6 s ARG 116 N -4.93 3.52 0.22 4.56 0.52 -1.26 -4.80 118.95 116.77 1uo6 s ARG 116 Ca 0.62 1.64 -0.31 0.00 -0.52 0.00 0.00 55.73 57.15 1uo6 s ARG 116 Cb -0.17 -2.14 -0.14 0.00 0.52 0.00 0.00 34.95 33.02 1uo6 s ARG 116 CO 0.56 -0.72 1.24 0.00 0.02 0.00 0.00 175.30 176.41 1uo6 n ALA 117 N -1.02 0.13 -0.23 2.13 0.00 -1.26 -2.02 120.51 118.23 1uo6 n ALA 117 Ca 0.10 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1uo6 n ALA 117 Cb 0.50 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1uo6 n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uo6 n GLY 118 N 1.91 1.89 3.71 0.00 0.00 -0.47 -5.01 105.19 107.22 1uo6 n GLY 118 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1uo6 n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uo6 s THR 119 N -3.01 2.60 -0.10 2.61 2.01 -0.86 -5.00 115.64 113.90 1uo6 s THR 119 Ca 0.00 0.37 0.04 0.00 0.31 0.00 0.00 61.69 62.41 1uo6 s THR 119 Cb 0.00 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.27 1uo6 s THR 119 CO 0.00 0.02 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.09 1uo6 s ILE 120 N 1.46 2.03 0.30 1.82 -1.09 -1.26 -4.78 121.20 119.67 1uo6 s ILE 120 Ca 0.72 -1.00 -0.23 0.00 -2.23 0.00 0.00 60.65 57.91 1uo6 s ILE 120 Cb -0.44 -1.75 -0.09 0.00 -1.58 0.00 0.00 42.46 38.59 1uo6 s ILE 120 CO 0.32 0.55 0.85 -0.76 -1.23 0.00 0.00 174.94 174.68 1uo6 s LEU 121 N 0.33 4.29 0.68 2.97 1.43 -1.26 -5.03 118.68 122.10 1uo6 s LEU 121 Ca -0.18 1.65 -0.16 0.00 -1.03 0.00 0.00 54.13 54.40 1uo6 s LEU 121 Cb -0.18 -3.91 0.01 0.00 0.03 0.00 0.00 46.19 42.15 1uo6 s LEU 121 CO 0.09 -0.06 1.18 0.00 0.23 0.00 0.00 176.35 177.79 1uo6 s ALA 122 N -1.65 2.30 0.44 4.21 0.00 -1.26 -4.89 121.76 120.92 1uo6 s ALA 122 Ca 0.49 0.83 -0.23 0.00 0.00 0.00 0.00 51.96 53.04 1uo6 s ALA 122 Cb -0.17 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.42 1uo6 s ALA 122 CO 0.22 -1.57 0.97 -1.71 0.00 0.00 0.00 175.76 173.67 1uo6 n ASN 123 N -2.38 1.06 -2.16 0.00 5.15 -1.26 -2.56 115.26 113.11 1uo6 n ASN 123 Ca 0.13 1.00 -0.18 0.00 -0.60 0.00 0.00 54.58 54.93 1uo6 n ASN 123 Cb 0.50 -1.34 0.00 0.00 -0.53 0.00 0.00 39.78 38.42 1uo6 n ASN 123 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1uo6 n ASN 124 N 0.42 -5.20 -4.77 1.20 5.15 0.35 -4.94 115.26 107.49 1uo6 n ASN 124 Ca 0.10 -0.08 -0.38 0.00 -0.60 0.00 0.00 54.58 53.61 1uo6 n ASN 124 Cb 0.40 -4.21 -0.04 0.00 -0.53 0.00 0.00 39.78 35.40 1uo6 n ASN 124 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1uo6 s SER 125 N -2.38 7.01 -0.09 1.20 0.01 -1.06 -4.58 113.70 113.82 1uo6 s SER 125 Ca 0.08 2.15 -0.30 0.00 1.31 0.00 0.00 55.95 59.19 1uo6 s SER 125 Cb -0.03 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 1uo6 s SER 125 CO 0.09 -0.32 1.48 -2.16 0.41 0.00 0.00 173.24 172.75 1uo6 s PRO 126 N -1.96 4.21 0.07 12.44 0.04 -1.26 -1.35 135.00 147.18 1uo6 s PRO 126 Ca 0.51 1.97 -0.07 0.00 0.04 0.00 0.00 61.00 63.46 1uo6 s PRO 126 Cb -0.27 -3.86 -0.01 0.00 0.04 0.00 0.00 34.50 30.40 1uo6 s PRO 126 CO 0.34 -0.77 0.13 0.00 0.04 0.00 0.00 177.00 176.74 1uo6 s TYR 128 N -3.59 1.82 0.05 0.00 2.02 0.37 -0.71 117.35 117.31 1uo6 s TYR 128 Ca 0.03 -0.53 -0.11 0.00 -0.37 0.00 0.00 57.07 56.09 1uo6 s TYR 128 Cb 0.04 -1.22 -0.06 0.00 -0.40 0.00 0.00 41.96 40.32 1uo6 s TYR 128 CO -0.09 -0.17 0.40 -1.50 -1.57 0.00 0.00 175.55 172.61 1uo6 s ILE 129 N 0.01 5.08 0.07 2.71 2.07 -0.42 -0.87 121.20 129.85 1uo6 s ILE 129 Ca -0.04 0.58 0.06 0.00 -1.41 0.00 0.00 60.65 59.84 1uo6 s ILE 129 Cb -0.12 -3.66 -0.03 0.00 0.13 0.00 0.00 42.46 38.78 1uo6 s ILE 129 CO 0.02 0.39 -0.15 0.42 -1.91 0.00 0.00 174.94 173.71 1uo6 s THR 130 N -1.29 1.22 0.00 4.00 -4.23 -1.20 -1.62 115.64 112.52 1uo6 s THR 130 Ca 0.30 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 1uo6 s THR 130 Cb -0.15 -1.14 0.00 0.00 1.34 0.00 0.00 72.50 72.55 1uo6 s THR 130 CO 0.16 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1uo6 n GLY 131 N 1.38 0.31 1.19 3.99 0.00 -0.34 -4.54 105.19 107.18 1uo6 n GLY 131 Ca -0.20 -1.09 0.08 0.00 0.00 0.00 0.00 46.02 44.81 1uo6 n GLY 131 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1uo6 n TRP 132 N -0.62 1.21 -0.66 1.61 8.01 -1.26 -1.55 117.44 124.18 1uo6 n TRP 132 Ca 0.00 -0.74 -0.30 0.00 -1.31 0.00 0.00 57.50 55.15 1uo6 n TRP 132 Cb 0.00 -0.30 0.26 0.00 -2.01 0.00 0.00 31.31 29.26 1uo6 n TRP 132 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1uo6 s GLY 133 N -1.37 1.49 0.28 6.99 0.00 -1.25 -1.43 107.32 112.04 1uo6 s GLY 133 Ca 0.44 -0.70 -0.28 0.00 0.00 0.00 0.00 44.72 44.18 1uo6 s GLY 133 CO 0.14 0.20 0.96 1.04 0.00 0.00 0.00 173.10 175.44 1uo6 n LEU 134 N -5.17 1.52 -0.13 0.66 4.77 0.45 -2.27 117.00 116.83 1uo6 n LEU 134 Ca 0.10 1.17 0.12 0.00 -0.03 0.00 0.00 56.01 57.38 1uo6 n LEU 134 Cb 0.59 -1.26 0.27 0.00 -2.33 0.00 0.00 43.42 40.69 1uo6 n LEU 134 CO 0.47 -1.55 0.50 0.35 -1.33 0.00 0.00 177.39 175.83 1uo6 n THR 135 N 0.18 0.00 -3.76 -5.08 -2.24 -0.77 -1.14 114.28 101.46 1uo6 n THR 135 Ca 0.10 -0.07 -0.12 0.00 -2.27 0.00 0.00 64.05 61.69 1uo6 n THR 135 Cb 0.32 0.41 -0.08 0.00 -2.10 0.00 0.00 70.33 68.87 1uo6 n THR 135 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1uo6 s ARG 136 N -2.76 0.75 0.09 -0.78 0.52 -1.26 -4.28 118.95 111.23 1uo6 s ARG 136 Ca 0.17 -0.38 -0.35 0.00 -0.52 0.00 0.00 55.73 54.66 1uo6 s ARG 136 Cb 0.18 0.33 -0.14 0.00 0.52 0.00 0.00 34.95 35.83 1uo6 s ARG 136 CO 0.63 -0.23 1.58 2.41 0.02 0.00 0.00 175.30 179.71 1uo6 n THR 137 N 0.88 0.10 -2.40 0.02 -1.04 -1.26 -0.53 114.28 110.05 1uo6 n THR 137 Ca -0.20 -0.02 -0.20 0.00 -2.04 0.00 0.00 64.05 61.59 1uo6 n THR 137 Cb 0.58 -1.42 -0.01 0.00 -1.82 0.00 0.00 70.33 67.65 1uo6 n THR 137 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1uo6 n ASN 138 N 3.80 -5.75 0.00 8.00 3.02 -1.26 -4.96 115.26 118.11 1uo6 n ASN 138 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 1uo6 n ASN 138 Cb 0.26 -4.79 0.00 0.00 -0.61 0.00 0.00 39.78 34.64 1uo6 n ASN 138 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uo6 n GLY 139 N -1.00 1.93 3.27 7.41 0.00 0.31 -5.13 105.19 111.98 1uo6 n GLY 139 Ca -0.24 -1.77 -0.16 0.00 0.00 0.00 0.00 46.02 43.85 1uo6 n GLY 139 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1uo6 s GLN 140 N 4.85 1.12 0.68 1.61 -2.07 -1.26 -4.93 119.66 119.66 1uo6 s GLN 140 Ca 0.00 -1.45 -0.17 0.00 -1.82 0.00 0.00 55.36 51.92 1uo6 s GLN 140 Cb 0.00 -0.79 0.00 0.00 -1.09 0.00 0.00 33.01 31.13 1uo6 s GLN 140 CO 0.00 0.12 1.20 1.28 -1.32 0.00 0.00 175.29 176.57 1uo6 n LEU 141 N -0.12 5.21 -4.81 2.60 4.77 -1.26 -1.86 117.00 121.53 1uo6 n LEU 141 Ca -0.10 0.77 -0.33 0.00 -0.03 0.00 0.00 56.01 56.31 1uo6 n LEU 141 Cb 0.60 -1.51 -0.01 0.00 -2.33 0.00 0.00 43.42 40.16 1uo6 n LEU 141 CO 0.32 -1.34 0.71 0.00 -1.33 0.00 0.00 177.39 175.75 1uo6 s ALA 142 N -1.57 2.85 -0.13 -1.18 0.00 -0.51 -4.83 121.76 116.38 1uo6 s ALA 142 Ca 0.79 0.42 -0.23 0.00 0.00 0.00 0.00 51.96 52.95 1uo6 s ALA 142 Cb -0.36 -3.22 -0.25 0.00 0.00 0.00 0.00 23.12 19.29 1uo6 s ALA 142 CO 0.44 -0.52 0.60 1.96 0.00 0.00 0.00 175.76 178.24 1uo6 h GLN 143 N 0.93 0.11 -5.86 0.00 4.20 -1.94 -3.45 115.11 109.09 1uo6 h GLN 143 Ca -0.48 -0.18 -0.64 0.00 0.06 0.00 0.00 58.65 57.42 1uo6 h GLN 143 Cb 1.21 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 29.01 1uo6 h GLN 143 CO 0.59 1.09 -0.50 0.95 -0.67 0.00 0.00 178.83 180.28 1uo6 s THR 144 N -2.35 5.34 0.21 -0.54 -4.23 -1.26 -0.88 115.64 111.92 1uo6 s THR 144 Ca -0.21 -0.26 -0.32 0.00 -1.18 0.00 0.00 61.69 59.72 1uo6 s THR 144 Cb 0.02 -3.52 -0.13 0.00 1.34 0.00 0.00 72.50 70.20 1uo6 s THR 144 CO 0.71 0.27 1.52 -0.11 -0.54 0.00 0.00 174.62 176.47 1uo6 n LEU 145 N 0.78 3.30 -4.68 4.79 7.94 -0.42 -4.84 117.00 123.87 1uo6 n LEU 145 Ca -0.09 1.11 -0.25 0.00 -1.11 0.00 0.00 56.01 55.67 1uo6 n LEU 145 Cb 0.52 -1.46 -0.07 0.00 0.53 0.00 0.00 43.42 42.94 1uo6 n LEU 145 CO 0.46 -0.29 -0.31 -1.10 -1.11 0.00 0.00 177.39 175.04 1uo6 s GLN 146 N 0.25 2.44 0.05 1.96 -1.52 -0.60 -0.97 119.66 121.27 1uo6 s GLN 146 Ca 0.73 -1.21 0.03 0.00 -1.95 0.00 0.00 55.36 52.95 1uo6 s GLN 146 Cb -0.63 -2.32 -0.02 0.00 -0.22 0.00 0.00 33.01 29.82 1uo6 s GLN 146 CO 0.43 0.41 -0.09 1.14 -0.25 0.00 0.00 175.29 176.93 1uo6 s GLN 147 N -3.34 0.61 -0.02 2.91 -2.07 0.17 -1.20 119.66 116.72 1uo6 s GLN 147 Ca 0.30 -0.77 -0.02 0.00 -1.82 0.00 0.00 55.36 53.05 1uo6 s GLN 147 Cb -0.08 -0.45 0.00 0.00 -1.09 0.00 0.00 33.01 31.39 1uo6 s GLN 147 CO 0.20 0.09 0.06 0.00 -1.32 0.00 0.00 175.29 174.32 1uo6 s ALA 148 N -1.26 -0.14 -0.37 2.60 0.00 -0.64 -0.55 121.76 121.41 1uo6 s ALA 148 Ca -0.07 0.14 -0.28 0.00 0.00 0.00 0.00 51.96 51.75 1uo6 s ALA 148 Cb -0.09 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.96 1uo6 s ALA 148 CO 0.01 -0.03 1.03 -0.47 0.00 0.00 0.00 175.76 176.29 1uo6 s TYR 149 N -0.03 3.06 -0.33 0.00 5.04 -1.26 -1.30 117.35 122.54 1uo6 s TYR 149 Ca -0.01 0.95 0.00 0.00 -2.44 0.00 0.00 57.07 55.57 1uo6 s TYR 149 Cb -0.01 -3.80 0.10 0.00 0.35 0.00 0.00 41.96 38.60 1uo6 s TYR 149 CO 0.00 -0.88 0.10 -0.51 -1.34 0.00 0.00 175.55 172.92 1uo6 s LEU 150 N 3.72 2.76 0.48 6.97 1.43 0.11 -4.95 118.68 129.21 1uo6 s LEU 150 Ca 0.43 -1.82 -0.23 0.00 -1.03 0.00 0.00 54.13 51.49 1uo6 s LEU 150 Cb -0.11 -1.03 -0.07 0.00 0.03 0.00 0.00 46.19 45.02 1uo6 s LEU 150 CO 0.19 -0.40 1.24 -2.16 0.23 0.00 0.00 176.35 175.46 1uo6 s PRO 151 N 1.38 3.57 0.68 1.29 0.04 -1.26 -3.84 135.00 136.85 1uo6 s PRO 151 Ca 0.11 1.95 -0.15 0.00 0.04 0.00 0.00 61.00 62.95 1uo6 s PRO 151 Cb -0.18 -2.38 0.01 0.00 0.04 0.00 0.00 34.50 31.99 1uo6 s PRO 151 CO -0.20 -0.76 1.13 0.95 0.04 0.00 0.00 177.00 178.16 1uo6 s THR 152 N -1.45 3.02 -0.25 1.26 -4.23 -0.46 -0.47 115.64 113.07 1uo6 s THR 152 Ca 0.66 0.48 0.03 0.00 -1.18 0.00 0.00 61.69 61.67 1uo6 s THR 152 Cb -0.33 -3.01 0.06 0.00 1.34 0.00 0.00 72.50 70.56 1uo6 s THR 152 CO 0.40 -0.29 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.40 1uo6 s VAL 153 N -2.25 2.06 1.06 2.29 1.01 -0.53 -0.49 120.40 123.55 1uo6 s VAL 153 Ca 0.69 -1.56 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 1uo6 s VAL 153 Cb -0.22 -2.19 0.23 0.00 0.00 0.00 0.00 36.38 34.19 1uo6 s VAL 153 CO 0.42 -0.03 1.07 1.51 0.00 0.00 0.00 175.10 178.07 1uo6 s ASP 154 N 1.15 1.76 0.17 3.32 1.47 -1.26 -3.99 116.67 119.30 1uo6 s ASP 154 Ca -0.08 1.76 -0.15 0.00 1.18 0.00 0.00 52.55 55.26 1uo6 s ASP 154 Cb -0.20 -2.40 0.12 0.00 -0.34 0.00 0.00 42.92 40.11 1uo6 s ASP 154 CO -0.05 -3.75 1.73 0.22 0.68 0.00 0.00 175.17 173.99 1uo6 h TYR 155 N -2.32 0.17 -0.63 2.11 3.20 -1.94 0.27 116.97 117.84 1uo6 h TYR 155 Ca -0.54 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.44 1uo6 h TYR 155 Cb 1.31 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 39.50 1uo6 h TYR 155 CO 0.36 0.03 0.28 0.00 -1.64 0.00 0.00 178.16 177.19 1uo6 h ALA 156 N 1.31 0.83 -0.02 1.82 0.00 -1.97 -0.16 119.26 121.08 1uo6 h ALA 156 Ca 0.20 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 1uo6 h ALA 156 Cb 0.24 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1uo6 h ALA 156 CO -0.25 -0.12 -0.44 0.82 0.00 0.00 0.00 179.25 179.26 1uo6 h ILE 157 N 0.49 1.46 -0.29 0.00 2.04 -1.79 -3.23 117.51 116.20 1uo6 h ILE 157 Ca 0.31 -1.95 -0.01 0.00 1.00 0.00 0.00 64.86 64.20 1uo6 h ILE 157 Cb 0.33 2.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.96 1uo6 h ILE 157 CO -0.27 0.56 0.12 0.00 0.00 0.00 0.00 178.15 178.56 1uo6 n SER 159 N -4.42 2.47 -4.82 0.00 3.41 -0.09 -0.89 113.62 109.27 1uo6 n SER 159 Ca 0.01 -1.97 -0.30 0.00 -0.26 0.00 0.00 58.87 56.35 1uo6 n SER 159 Cb 0.13 -0.29 0.07 0.00 -0.26 0.00 0.00 64.21 63.85 1uo6 n SER 159 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1uo6 s SER 160 N -1.08 5.03 0.34 4.04 1.04 -0.45 -3.56 113.70 119.07 1uo6 s SER 160 Ca 0.32 1.41 0.03 0.00 0.48 0.00 0.00 55.95 58.18 1uo6 s SER 160 Cb 0.17 -2.22 0.62 0.00 0.10 0.00 0.00 66.02 64.69 1uo6 s SER 160 CO 0.22 -1.64 1.95 0.77 0.98 0.00 0.00 173.24 175.53 1uo6 h SER 161 N -0.86 0.64 1.24 7.02 4.64 -1.91 -0.99 113.55 123.34 1uo6 h SER 161 Ca -0.45 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1uo6 h SER 161 Cb 1.24 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1uo6 h SER 161 CO 0.59 0.55 -0.02 -1.54 -0.87 0.00 0.00 176.83 175.54 1uo6 n SER 162 N -4.38 0.46 0.00 4.97 3.41 -1.26 -4.48 113.62 112.34 1uo6 n SER 162 Ca 0.04 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 1uo6 n SER 162 Cb 0.12 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 1uo6 n SER 162 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1uo6 n TYR 163 N -1.92 0.00 1.06 7.33 4.02 -0.91 -4.81 117.16 121.93 1uo6 n TYR 163 Ca 0.06 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.07 1uo6 n TYR 163 Cb 0.39 0.00 0.09 0.00 -0.02 0.00 0.00 39.34 39.80 1uo6 n TYR 163 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1uo6 n TRP 164 N 0.00 0.00 -4.09 -0.72 7.02 -0.07 -4.86 117.44 114.72 1uo6 n TRP 164 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1uo6 n TRP 164 Cb 0.00 -0.03 0.00 0.00 -2.42 0.00 0.00 31.31 28.86 1uo6 n TRP 164 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1uo6 n GLY 165 N 1.41 2.80 0.05 6.99 0.00 -0.42 -2.26 105.19 113.76 1uo6 n GLY 165 Ca 0.10 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.87 1uo6 n GLY 165 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uo6 n SER 166 N 0.77 0.25 -0.08 1.61 3.41 -1.26 -3.11 113.62 115.21 1uo6 n SER 166 Ca 0.00 0.56 -0.02 0.00 -0.26 0.00 0.00 58.87 59.15 1uo6 n SER 166 Cb 0.00 -0.61 0.24 0.00 -0.26 0.00 0.00 64.21 63.58 1uo6 n SER 166 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1uo6 h THR 167 N 0.00 1.21 -3.25 6.66 2.02 -1.81 -3.42 112.91 114.32 1uo6 h THR 167 Ca 0.00 -0.78 -0.57 0.00 0.77 0.00 0.00 66.41 65.83 1uo6 h THR 167 Cb 0.32 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.46 1uo6 h THR 167 CO 0.00 0.28 -0.04 0.54 0.37 0.00 0.00 175.52 176.68 1uo6 s VAL 168 N -5.13 4.82 0.35 3.16 0.11 -1.18 -4.74 120.40 117.79 1uo6 s VAL 168 Ca -0.09 1.21 0.08 0.00 -2.93 0.00 0.00 61.98 60.25 1uo6 s VAL 168 Cb 0.16 -3.90 -0.05 0.00 -1.53 0.00 0.00 36.38 31.06 1uo6 s VAL 168 CO 0.78 0.50 0.11 -0.54 -3.33 0.00 0.00 175.10 172.63 1uo6 s LYS 169 N -0.75 2.25 0.00 1.54 -0.14 -1.26 -4.87 119.74 116.51 1uo6 s LYS 169 Ca 0.29 -1.66 0.19 0.00 -1.36 0.00 0.00 55.97 53.43 1uo6 s LYS 169 Cb -0.19 -2.06 0.85 0.00 -1.68 0.00 0.00 37.83 34.75 1uo6 s LYS 169 CO 0.18 0.08 1.62 -1.71 -0.76 0.00 0.00 175.35 174.76 1uo6 n ASN 170 N -1.10 0.00 -0.32 2.83 2.85 -1.26 -1.83 115.26 116.43 1uo6 n ASN 170 Ca -0.03 0.45 0.04 0.00 -0.11 0.00 0.00 54.58 54.93 1uo6 n ASN 170 Cb 0.62 -0.48 0.15 0.00 1.24 0.00 0.00 39.78 41.32 1uo6 n ASN 170 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1uo6 n SER 171 N -1.48 0.92 -4.41 1.20 3.41 -1.26 -4.86 113.62 107.14 1uo6 n SER 171 Ca 0.05 -1.91 -0.21 0.00 -0.26 0.00 0.00 58.87 56.53 1uo6 n SER 171 Cb 0.22 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 63.96 1uo6 n SER 171 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1uo6 s MET 172 N -1.79 1.51 -0.09 4.33 -1.94 -0.76 -0.79 119.30 119.77 1uo6 s MET 172 Ca 0.15 -1.70 0.03 0.00 -1.71 0.00 0.00 55.69 52.46 1uo6 s MET 172 Cb 0.08 -1.40 -0.01 0.00 2.01 0.00 0.00 34.83 35.50 1uo6 s MET 172 CO 0.11 0.22 -0.18 0.08 -0.01 0.00 0.00 175.02 175.24 1uo6 s VAL 173 N -2.78 2.66 -0.01 -6.03 1.01 0.57 -4.69 120.40 111.13 1uo6 s VAL 173 Ca 0.27 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 1uo6 s VAL 173 Cb -0.02 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1uo6 s VAL 173 CO 0.11 0.56 0.08 0.00 0.00 0.00 0.00 175.10 175.84 1uo6 s ALA 175 N -1.18 -0.84 0.00 0.00 0.00 -0.19 -1.45 121.76 118.10 1uo6 s ALA 175 Ca 0.22 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1uo6 s ALA 175 Cb -0.12 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.54 1uo6 s ALA 175 CO 0.13 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1uo6 n GLY 176 N 2.62 0.82 1.37 0.00 0.00 0.38 -1.14 105.19 109.24 1uo6 n GLY 176 Ca -0.14 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1uo6 n GLY 176 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uo6 n GLY 177 N 0.00 0.61 0.03 -0.02 0.00 -1.26 -4.67 105.19 99.87 1uo6 n GLY 177 Ca 0.00 -0.46 0.14 0.00 0.00 0.00 0.00 46.02 45.70 1uo6 n GLY 177 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1uo6 n ASP 178 N 0.83 0.16 0.00 1.61 5.75 -1.26 -1.52 116.55 122.12 1uo6 n ASP 178 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 1uo6 n ASP 178 Cb 0.00 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 1uo6 n ASP 178 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1uo6 n GLY 179 N 1.38 0.97 0.54 6.12 0.00 -1.26 -4.78 105.19 108.17 1uo6 n GLY 179 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 1uo6 n GLY 179 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1uo6 n VAL 180 N -2.00 0.15 -4.51 1.61 0.31 -1.26 -4.63 118.33 108.00 1uo6 n VAL 180 Ca 0.00 -0.05 -0.27 0.00 -0.01 0.00 0.00 64.34 64.01 1uo6 n VAL 180 Cb 0.00 -1.15 -0.13 0.00 -0.91 0.00 0.00 33.84 31.65 1uo6 n VAL 180 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1uo6 s ARG 181 N -2.05 1.41 0.02 5.55 1.70 -1.26 -3.80 118.95 120.52 1uo6 s ARG 181 Ca -0.04 -1.20 -0.29 0.00 -0.47 0.00 0.00 55.73 53.74 1uo6 s ARG 181 Cb 0.01 -1.73 0.11 0.00 -0.57 0.00 0.00 34.95 32.77 1uo6 s ARG 181 CO 0.05 0.42 1.23 -1.54 -1.08 0.00 0.00 175.30 174.39 1uo6 s SER 182 N -1.73 -0.05 0.82 -2.89 1.04 -0.71 -4.40 113.70 105.77 1uo6 s SER 182 Ca 0.11 -0.22 -0.12 0.00 0.48 0.00 0.00 55.95 56.20 1uo6 s SER 182 Cb -0.10 0.22 0.08 0.00 0.10 0.00 0.00 66.02 66.33 1uo6 s SER 182 CO 0.04 -0.42 1.17 -0.83 0.98 0.00 0.00 173.24 174.18 1uo6 s GLY 183 N -3.17 1.59 0.29 7.32 0.00 -1.26 -0.61 107.32 111.48 1uo6 s GLY 183 Ca 0.17 -0.62 -0.16 0.00 0.00 0.00 0.00 44.72 44.12 1uo6 s GLY 183 CO -0.02 -0.13 0.62 0.00 0.00 0.00 0.00 173.10 173.58 1uo6 n GLN 185 N -0.45 1.65 0.00 0.00 3.00 -1.26 -1.20 117.38 119.12 1uo6 n GLN 185 Ca -0.03 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 1uo6 n GLN 185 Cb 0.60 -2.18 0.00 0.00 0.00 0.00 0.00 30.24 28.66 1uo6 n GLN 185 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1uo6 n GLY 186 N 2.16 1.50 0.11 1.08 0.00 -1.26 -0.41 105.19 108.36 1uo6 n GLY 186 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 1uo6 n GLY 186 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uo6 n ASP 187 N 0.00 0.84 -4.49 1.61 8.00 -0.34 -3.75 116.55 118.41 1uo6 n ASP 187 Ca 0.00 0.34 -0.45 0.00 0.71 0.00 0.00 54.79 55.39 1uo6 n ASP 187 Cb 0.00 0.39 -0.01 0.00 -0.02 0.00 0.00 41.12 41.48 1uo6 n ASP 187 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1uo6 n SER 188 N -2.73 -0.06 0.00 -2.24 7.64 -1.26 -1.84 113.62 113.13 1uo6 n SER 188 Ca -0.03 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.94 1uo6 n SER 188 Cb 0.63 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1uo6 n SER 188 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uo6 n GLY 189 N 1.61 3.06 3.37 0.23 0.00 0.32 0.02 105.19 113.80 1uo6 n GLY 189 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1uo6 n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uo6 n GLY 190 N -1.14 -2.03 3.88 -0.02 0.00 -0.77 -3.18 105.19 101.93 1uo6 n GLY 190 Ca 0.00 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 1uo6 n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uo6 s PRO 191 N -5.48 3.78 -0.31 1.61 0.04 -1.26 -0.73 135.00 132.65 1uo6 s PRO 191 Ca 0.67 0.41 -0.02 0.00 0.04 0.00 0.00 61.00 62.10 1uo6 s PRO 191 Cb -0.04 -2.44 0.06 0.00 0.04 0.00 0.00 34.50 32.12 1uo6 s PRO 191 CO 0.49 0.03 0.02 -1.17 0.04 0.00 0.00 177.00 176.40 1uo6 s LEU 192 N -3.70 4.02 -0.23 -3.56 2.96 -0.60 -3.24 118.68 114.34 1uo6 s LEU 192 Ca 0.50 -1.35 -0.14 0.00 -0.22 0.00 0.00 54.13 52.92 1uo6 s LEU 192 Cb -0.10 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1uo6 s LEU 192 CO 0.30 -0.28 0.34 -1.00 -1.32 0.00 0.00 176.35 174.38 1uo6 s HIS 193 N 1.24 3.33 -0.07 5.38 3.76 -0.05 -1.08 115.29 127.80 1uo6 s HIS 193 Ca -0.04 0.48 0.04 0.00 -0.15 0.00 0.00 55.06 55.39 1uo6 s HIS 193 Cb -0.20 -2.48 -0.00 0.00 1.11 0.00 0.00 32.58 31.01 1uo6 s HIS 193 CO -0.01 -0.05 -0.20 0.00 -0.85 0.00 0.00 174.74 173.63 1uo6 s LEU 195 N 0.22 3.86 -0.07 0.00 2.96 -1.05 -1.22 118.68 123.38 1uo6 s LEU 195 Ca -0.11 0.63 -0.00 0.00 -0.22 0.00 0.00 54.13 54.43 1uo6 s LEU 195 Cb -0.15 -3.43 0.02 0.00 0.50 0.00 0.00 46.19 43.14 1uo6 s LEU 195 CO 0.05 -1.01 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.33 1uo6 s VAL 196 N 3.87 0.67 -1.50 1.68 1.01 -0.43 -4.78 120.40 120.93 1uo6 s VAL 196 Ca 0.43 -0.12 -0.13 0.00 0.00 0.00 0.00 61.98 62.17 1uo6 s VAL 196 Cb -0.10 -0.73 0.07 0.00 0.00 0.00 0.00 36.38 35.62 1uo6 s VAL 196 CO 0.23 0.29 1.02 0.59 0.00 0.00 0.00 175.10 177.22 1uo6 n ASN 197 N 4.65 -5.02 0.00 3.32 3.02 -1.26 -1.93 115.26 118.04 1uo6 n ASN 197 Ca -0.15 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 1uo6 n ASN 197 Cb 0.50 -4.11 0.00 0.00 -0.61 0.00 0.00 39.78 35.57 1uo6 n ASN 197 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uo6 n GLY 198 N -1.75 1.34 3.23 7.41 0.00 -1.26 -5.01 105.19 109.15 1uo6 n GLY 198 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1uo6 n GLY 198 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uo6 s GLN 199 N -0.04 1.95 0.28 1.61 -1.52 -0.81 -5.10 119.66 116.03 1uo6 s GLN 199 Ca 0.00 -0.78 -0.28 0.00 -1.95 0.00 0.00 55.36 52.34 1uo6 s GLN 199 Cb 0.00 -1.79 -0.09 0.00 -0.22 0.00 0.00 33.01 30.90 1uo6 s GLN 199 CO 0.00 0.41 1.00 0.71 -0.25 0.00 0.00 175.29 177.17 1uo6 s TYR 200 N -0.34 3.73 0.09 0.91 2.02 -1.26 -1.31 117.35 121.18 1uo6 s TYR 200 Ca 0.04 1.80 0.03 0.00 -0.37 0.00 0.00 57.07 58.56 1uo6 s TYR 200 Cb -0.10 -3.09 -0.04 0.00 -0.40 0.00 0.00 41.96 38.34 1uo6 s TYR 200 CO 0.01 -0.03 -0.09 0.00 -1.57 0.00 0.00 175.55 173.86 1uo6 s ALA 201 N -1.30 1.02 -0.64 3.71 0.00 -0.36 -4.70 121.76 119.49 1uo6 s ALA 201 Ca 0.46 -1.16 -0.22 0.00 0.00 0.00 0.00 51.96 51.04 1uo6 s ALA 201 Cb -0.26 0.05 0.07 0.00 0.00 0.00 0.00 23.12 22.98 1uo6 s ALA 201 CO 0.33 -0.06 0.93 0.08 0.00 0.00 0.00 175.76 177.04 1uo6 s VAL 202 N -2.48 4.39 -0.30 0.00 1.01 0.42 -0.69 120.40 122.75 1uo6 s VAL 202 Ca 0.04 -0.34 0.23 0.00 0.00 0.00 0.00 61.98 61.91 1uo6 s VAL 202 Cb -0.03 -4.64 -0.01 0.00 0.00 0.00 0.00 36.38 31.70 1uo6 s VAL 202 CO -0.01 -1.37 1.05 1.41 0.00 0.00 0.00 175.10 176.19 1uo6 n HIS 203 N 7.52 0.85 -4.10 5.22 8.25 -0.24 -4.31 115.22 128.42 1uo6 n HIS 203 Ca -0.04 0.25 -0.11 0.00 -0.26 0.00 0.00 57.72 57.57 1uo6 n HIS 203 Cb 0.45 -0.88 -0.11 0.00 1.12 0.00 0.00 29.99 30.58 1uo6 n HIS 203 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1uo6 s GLY 204 N -4.25 0.56 -0.25 -1.41 0.00 -1.13 -1.62 107.32 99.23 1uo6 s GLY 204 Ca 0.00 -1.04 -0.01 0.00 0.00 0.00 0.00 44.72 43.68 1uo6 s GLY 204 CO 0.79 -1.12 -0.07 0.14 0.00 0.00 0.00 173.10 172.84 1uo6 s VAL 205 N -2.66 2.77 0.05 1.40 1.01 -0.71 -1.55 120.40 120.70 1uo6 s VAL 205 Ca 0.00 -1.08 -0.34 0.00 0.00 0.00 0.00 61.98 60.57 1uo6 s VAL 205 Cb -0.01 -2.41 -0.13 0.00 0.00 0.00 0.00 36.38 33.82 1uo6 s VAL 205 CO -0.04 0.19 1.71 0.41 0.00 0.00 0.00 175.10 177.38 1uo6 n THR 206 N 4.65 0.26 -0.00 3.92 -1.04 0.09 -0.25 114.28 121.91 1uo6 n THR 206 Ca -0.16 -0.05 -0.03 0.00 -2.04 0.00 0.00 64.05 61.77 1uo6 n THR 206 Cb 0.47 -1.68 -0.01 0.00 -1.82 0.00 0.00 70.33 67.28 1uo6 n THR 206 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1uo6 n SER 207 N 4.87 0.46 -3.68 8.00 2.88 0.29 -0.52 113.62 125.92 1uo6 n SER 207 Ca 0.20 0.07 -0.10 0.00 -1.33 0.00 0.00 58.87 57.71 1uo6 n SER 207 Cb 0.29 -0.17 -0.03 0.00 -0.75 0.00 0.00 64.21 63.55 1uo6 n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1uo6 s PHE 208 N -2.07 -0.23 0.35 0.66 -0.71 -0.76 -4.94 117.98 110.28 1uo6 s PHE 208 Ca -0.04 -0.10 0.03 0.00 -1.04 0.00 0.00 56.93 55.78 1uo6 s PHE 208 Cb 0.01 0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 42.27 1uo6 s PHE 208 CO 0.06 -0.96 0.11 0.14 -1.34 0.00 0.00 175.22 173.23 1uo6 s VAL 209 N -3.85 0.72 0.60 -2.49 -7.23 -1.26 -1.31 120.40 105.57 1uo6 s VAL 209 Ca 0.08 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.05 1uo6 s VAL 209 Cb -0.02 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 1uo6 s VAL 209 CO -0.04 0.00 1.32 -0.55 -0.31 0.00 0.00 175.10 175.53 1uo6 s SER 210 N -3.50 4.95 0.57 4.85 0.15 -1.23 -4.91 113.70 114.58 1uo6 s SER 210 Ca 0.31 2.69 0.35 0.00 0.70 0.00 0.00 55.95 60.00 1uo6 s SER 210 Cb 0.05 -2.63 1.52 0.00 -1.71 0.00 0.00 66.02 63.26 1uo6 s SER 210 CO 0.15 -1.78 2.04 0.03 1.20 0.00 0.00 173.24 174.89 1uo6 h ARG 211 N 1.01 0.00 0.00 5.44 3.08 -2.00 -2.65 114.38 119.26 1uo6 h ARG 211 Ca -0.51 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.52 1uo6 h ARG 211 Cb 1.32 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.37 1uo6 h ARG 211 CO 0.55 0.00 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.31 1uo6 h LEU 212 N 0.00 0.00 0.00 3.04 3.38 -2.04 -3.49 115.31 116.20 1uo6 h LEU 212 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1uo6 h LEU 212 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1uo6 h LEU 212 CO 0.00 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.22 1uo6 n GLY 213 N 0.67 2.17 0.18 0.83 0.00 -1.00 -5.05 105.19 103.00 1uo6 n GLY 213 Ca 0.02 -1.07 -0.06 0.00 0.00 0.00 0.00 46.02 44.91 1uo6 n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uo6 s ASN 215 N -5.01 7.07 -0.14 0.00 4.22 -1.26 -4.70 114.94 115.11 1uo6 s ASN 215 Ca -0.05 -3.03 0.00 0.00 -2.14 0.00 0.00 52.86 47.65 1uo6 s ASN 215 Cb 0.01 -2.34 -0.01 0.00 1.28 0.00 0.00 41.25 40.19 1uo6 s ASN 215 CO 0.16 -0.65 -0.15 -0.69 -2.04 0.00 0.00 177.10 173.73 1uo6 s VAL 216 N 0.84 2.72 0.24 3.54 1.01 -1.26 -4.59 120.40 122.90 1uo6 s VAL 216 Ca 0.37 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 61.27 1uo6 s VAL 216 Cb -0.06 -2.14 -0.11 0.00 0.00 0.00 0.00 36.38 34.07 1uo6 s VAL 216 CO -0.04 0.52 1.64 -0.89 0.00 0.00 0.00 175.10 176.33 1uo6 s THR 217 N 0.63 2.14 -0.90 3.92 2.01 -1.26 -1.46 115.64 120.70 1uo6 s THR 217 Ca -0.08 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1uo6 s THR 217 Cb -0.16 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.29 1uo6 s THR 217 CO 0.03 0.01 0.00 0.54 -0.69 0.00 0.00 174.62 174.51 1uo6 n ARG 218 N 3.16 -0.72 -3.41 4.92 1.74 -0.58 -4.93 116.66 116.85 1uo6 n ARG 218 Ca 0.12 0.77 -0.26 0.00 -0.77 0.00 0.00 57.85 57.70 1uo6 n ARG 218 Cb 0.37 -4.65 -0.08 0.00 -1.02 0.00 0.00 32.46 27.07 1uo6 n ARG 218 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1uo6 n LYS 219 N -2.51 1.54 -0.95 5.56 4.76 -0.54 -4.20 118.16 121.82 1uo6 n LYS 219 Ca -0.09 -3.98 -0.32 0.00 -2.87 0.00 0.00 58.31 51.05 1uo6 n LYS 219 Cb 0.31 -1.84 0.14 0.00 -1.84 0.00 0.00 35.03 31.80 1uo6 n LYS 219 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1uo6 s PRO 220 N -1.60 1.39 0.34 1.97 0.04 -1.26 -4.51 135.00 131.37 1uo6 s PRO 220 Ca 0.35 1.68 -0.28 0.00 0.04 0.00 0.00 61.00 62.79 1uo6 s PRO 220 Cb 0.12 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.80 1uo6 s PRO 220 CO -0.09 -2.39 1.29 0.99 0.04 0.00 0.00 177.00 176.85 1uo6 s THR 221 N -2.34 2.74 -0.10 1.26 2.01 -0.29 -4.73 115.64 114.19 1uo6 s THR 221 Ca 0.71 0.73 -0.00 0.00 0.31 0.00 0.00 61.69 63.44 1uo6 s THR 221 Cb -0.26 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 1uo6 s THR 221 CO 0.53 0.16 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.85 1uo6 s VAL 222 N -1.17 3.52 0.09 3.82 1.01 -0.43 -1.02 120.40 126.22 1uo6 s VAL 222 Ca 0.50 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 62.04 1uo6 s VAL 222 Cb -0.39 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1uo6 s VAL 222 CO 0.51 0.55 -0.20 -0.36 0.00 0.00 0.00 175.10 175.61 1uo6 s PHE 223 N -0.23 1.72 0.17 5.22 0.40 0.03 -0.54 117.98 124.75 1uo6 s PHE 223 Ca 0.03 -0.41 -0.31 0.00 -0.60 0.00 0.00 56.93 55.64 1uo6 s PHE 223 Cb -0.13 -0.96 -0.08 0.00 0.51 0.00 0.00 43.02 42.35 1uo6 s PHE 223 CO 0.03 0.17 1.35 0.99 0.70 0.00 0.00 175.22 178.45 1uo6 s THR 224 N -1.09 3.21 -0.57 0.64 2.01 0.65 -0.32 115.64 120.18 1uo6 s THR 224 Ca 0.06 0.95 -0.28 0.00 0.31 0.00 0.00 61.69 62.72 1uo6 s THR 224 Cb -0.10 -3.60 0.03 0.00 0.01 0.00 0.00 72.50 68.84 1uo6 s THR 224 CO 0.03 0.12 1.22 -0.60 -0.69 0.00 0.00 174.62 174.70 1uo6 s ARG 225 N 0.35 3.51 0.30 4.92 3.52 0.03 -1.74 118.95 129.84 1uo6 s ARG 225 Ca 0.60 0.31 0.03 0.00 -0.13 0.00 0.00 55.73 56.54 1uo6 s ARG 225 Cb -0.37 -4.02 0.63 0.00 -1.56 0.00 0.00 34.95 29.63 1uo6 s ARG 225 CO 0.35 -1.69 1.84 0.28 -0.81 0.00 0.00 175.30 175.27 1uo6 h VAL 226 N 6.20 0.88 0.00 7.11 2.07 -1.60 -1.66 116.25 129.25 1uo6 h VAL 226 Ca -0.25 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1uo6 h VAL 226 Cb 1.06 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1uo6 h VAL 226 CO 1.18 0.17 0.00 -1.54 0.02 0.00 0.00 177.57 177.40 1uo6 n SER 227 N -4.62 0.06 0.05 0.57 3.41 -1.26 -0.94 113.62 110.89 1uo6 n SER 227 Ca 0.19 0.52 0.13 0.00 -0.26 0.00 0.00 58.87 59.44 1uo6 n SER 227 Cb 0.40 -0.53 0.34 0.00 -0.26 0.00 0.00 64.21 64.16 1uo6 n SER 227 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uo6 n ALA 228 N -1.52 2.72 -0.31 7.33 0.00 -0.62 -1.37 120.51 126.73 1uo6 n ALA 228 Ca 0.03 -0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.33 1uo6 n ALA 228 Cb 0.14 -1.31 0.07 0.00 0.00 0.00 0.00 19.45 18.35 1uo6 n ALA 228 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1uo6 n TYR 229 N -1.93 0.14 -0.14 0.00 4.01 -0.11 -4.79 117.16 114.33 1uo6 n TYR 229 Ca 0.05 -0.63 -0.05 0.00 -0.16 0.00 0.00 57.90 57.12 1uo6 n TYR 229 Cb 0.40 -0.08 0.04 0.00 -0.31 0.00 0.00 39.34 39.39 1uo6 n TYR 229 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1uo6 h ILE 230 N 0.47 0.89 -0.52 -0.72 1.08 -1.72 0.48 117.51 117.47 1uo6 h ILE 230 Ca 0.00 -0.12 -0.04 0.00 -0.39 0.00 0.00 64.86 64.31 1uo6 h ILE 230 Cb 0.70 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 34.93 1uo6 h ILE 230 CO 0.01 0.06 0.17 0.28 -0.69 0.00 0.00 178.15 177.99 1uo6 h SER 231 N 0.36 0.75 -0.20 1.72 0.02 -1.92 -1.37 113.55 112.91 1uo6 h SER 231 Ca 0.20 -0.20 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1uo6 h SER 231 Cb 0.18 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 1uo6 h SER 231 CO -0.19 0.75 0.04 -0.25 -1.14 0.00 0.00 176.83 176.03 1uo6 h TRP 232 N 0.71 0.06 -0.02 3.45 7.01 -1.76 0.55 115.95 125.96 1uo6 h TRP 232 Ca 0.17 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.21 1uo6 h TRP 232 Cb 0.26 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.28 1uo6 h TRP 232 CO 0.01 0.02 -0.16 0.82 -2.79 0.00 0.00 178.44 176.34 1uo6 h ILE 233 N 0.12 0.60 -0.75 2.65 2.04 -0.73 -0.68 117.51 120.76 1uo6 h ILE 233 Ca 0.09 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.99 1uo6 h ILE 233 Cb 0.09 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 1uo6 h ILE 233 CO -0.12 0.00 0.46 0.78 0.00 0.00 0.00 178.15 179.27 1uo6 h ASN 234 N -0.26 0.75 -0.64 1.72 2.35 -1.06 -1.93 115.58 116.51 1uo6 h ASN 234 Ca 0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1uo6 h ASN 234 Cb 0.34 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 1uo6 h ASN 234 CO -0.17 0.51 0.36 0.78 -1.65 0.00 0.00 177.43 177.26 1uo6 h ASN 235 N 0.89 0.79 -0.23 5.81 2.35 -0.54 -1.32 115.58 123.33 1uo6 h ASN 235 Ca 0.31 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.94 1uo6 h ASN 235 Cb 0.05 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1uo6 h ASN 235 CO -0.13 0.65 0.03 0.58 -1.65 0.00 0.00 177.43 176.91 1uo6 h VAL 236 N 0.87 1.24 -0.63 2.81 2.07 -0.71 -2.60 116.25 119.29 1uo6 h VAL 236 Ca 0.23 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 1uo6 h VAL 236 Cb 0.03 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1uo6 h VAL 236 CO -0.04 0.25 0.18 0.40 0.02 0.00 0.00 177.57 178.38 1uo6 h ILE 237 N 0.18 1.24 0.00 4.57 2.04 -1.28 -2.23 117.51 122.03 1uo6 h ILE 237 Ca 0.07 -0.85 -0.08 0.00 1.00 0.00 0.00 64.86 65.01 1uo6 h ILE 237 Cb 0.35 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1uo6 h ILE 237 CO 0.01 0.32 -0.37 0.00 0.00 0.00 0.00 178.15 178.11 1uo6 h ALA 238 N 1.26 1.14 -0.20 1.87 0.00 -1.22 -3.06 119.26 119.06 1uo6 h ALA 238 Ca 0.20 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1uo6 h ALA 238 Cb 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1uo6 h ALA 238 CO -0.01 0.46 0.00 -1.13 0.00 0.00 0.00 179.25 178.57 1uo6 n SER 239 N -3.74 3.08 0.00 0.00 3.41 -0.98 -5.09 113.62 110.29 1uo6 n SER 239 Ca -0.01 -1.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 1uo6 n SER 239 Cb 0.45 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1uo6 n SER 239 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47