#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dm3 s ILE 5 N 0.00 3.74 0.36 -1.33 1.09 -1.26 -0.29 121.20 123.51 1dm3 s ILE 5 Ca 0.00 -0.41 0.08 0.00 -1.10 0.00 0.00 60.65 59.23 1dm3 s ILE 5 Cb 0.00 -2.64 -0.05 0.00 -1.06 0.00 0.00 42.46 38.71 1dm3 s ILE 5 CO 0.00 0.49 0.07 0.68 -0.10 0.00 0.00 174.94 176.08 1dm3 s VAL 6 N 0.49 2.60 -0.46 2.92 -7.23 0.41 -1.07 120.40 118.06 1dm3 s VAL 6 Ca -0.04 -1.86 -0.17 0.00 -1.81 0.00 0.00 61.98 58.10 1dm3 s VAL 6 Cb -0.14 -2.89 0.05 0.00 0.56 0.00 0.00 36.38 33.96 1dm3 s VAL 6 CO 0.03 -0.14 0.44 -0.63 -0.31 0.00 0.00 175.10 174.49 1dm3 s ILE 7 N -2.53 5.13 0.21 -0.62 1.01 -0.30 -2.57 121.20 121.53 1dm3 s ILE 7 Ca 0.37 -0.77 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 1dm3 s ILE 7 Cb 0.01 -4.13 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 1dm3 s ILE 7 CO 0.21 -0.57 1.56 0.00 0.00 0.00 0.00 174.94 176.14 1dm3 h ALA 8 N 8.79 0.79 -2.66 9.38 0.00 -0.65 0.43 119.26 135.35 1dm3 h ALA 8 Ca -0.28 -0.46 0.09 0.00 0.00 0.00 0.00 54.91 54.26 1dm3 h ALA 8 Cb 1.11 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.69 1dm3 h ALA 8 CO 0.87 0.66 0.35 -1.54 0.00 0.00 0.00 179.25 179.59 1dm3 s SER 9 N -6.87 -0.34 0.13 0.00 1.04 -1.23 -4.01 113.70 102.42 1dm3 s SER 9 Ca -0.08 -0.26 -0.15 0.00 0.48 0.00 0.00 55.95 55.94 1dm3 s SER 9 Cb 0.12 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.82 1dm3 s SER 9 CO 0.83 -0.97 0.39 0.00 0.98 0.00 0.00 173.24 174.48 1dm3 s ALA 10 N -3.52 -0.82 0.08 5.32 0.00 -1.26 0.04 121.76 121.59 1dm3 s ALA 10 Ca 0.07 -0.17 -0.18 0.00 0.00 0.00 0.00 51.96 51.68 1dm3 s ALA 10 Cb -0.02 0.71 0.04 0.00 0.00 0.00 0.00 23.12 23.85 1dm3 s ALA 10 CO -0.03 -0.66 0.44 0.00 0.00 0.00 0.00 175.76 175.51 1dm3 s ALA 11 N -3.83 -1.07 0.06 0.00 0.00 -0.79 -4.81 121.76 111.32 1dm3 s ALA 11 Ca 0.05 0.25 -0.04 0.00 0.00 0.00 0.00 51.96 52.21 1dm3 s ALA 11 Cb 0.02 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 1dm3 s ALA 11 CO -0.10 -0.55 0.07 -0.98 0.00 0.00 0.00 175.76 174.20 1dm3 s ARG 12 N -3.01 0.66 0.62 0.00 1.70 0.22 -0.45 118.95 118.69 1dm3 s ARG 12 Ca -0.02 -0.99 -0.10 0.00 -0.47 0.00 0.00 55.73 54.16 1dm3 s ARG 12 Cb 0.00 0.25 -0.02 0.00 -0.57 0.00 0.00 34.95 34.61 1dm3 s ARG 12 CO -0.06 -0.16 0.99 0.95 -1.08 0.00 0.00 175.30 175.94 1dm3 s THR 13 N -3.43 4.30 0.71 4.99 -4.23 0.11 -0.62 115.64 117.47 1dm3 s THR 13 Ca 0.02 0.56 -0.16 0.00 -1.18 0.00 0.00 61.69 60.93 1dm3 s THR 13 Cb 0.04 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 70.16 1dm3 s THR 13 CO -0.08 -0.88 0.99 0.00 -0.54 0.00 0.00 174.62 174.10 1dm3 n ALA 14 N -2.72 -0.13 -2.67 3.99 0.00 -1.26 -4.73 120.51 112.99 1dm3 n ALA 14 Ca 0.05 -0.16 -0.40 0.00 0.00 0.00 0.00 53.44 52.93 1dm3 n ALA 14 Cb 0.55 -2.13 -0.05 0.00 0.00 0.00 0.00 19.45 17.82 1dm3 n ALA 14 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1dm3 s VAL 15 N -1.77 5.01 0.36 0.00 1.01 -1.26 -4.67 120.40 119.09 1dm3 s VAL 15 Ca 0.74 1.26 -0.07 0.00 0.00 0.00 0.00 61.98 63.92 1dm3 s VAL 15 Cb -0.35 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 1dm3 s VAL 15 CO 0.49 0.13 0.66 -0.83 0.00 0.00 0.00 175.10 175.55 1dm3 s GLY 16 N 1.11 1.82 0.67 4.51 0.00 0.27 -2.61 107.32 113.09 1dm3 s GLY 16 Ca 0.31 -0.44 -0.13 0.00 0.00 0.00 0.00 44.72 44.47 1dm3 s GLY 16 CO 0.11 -0.29 1.06 -0.56 0.00 0.00 0.00 173.10 173.42 1dm3 s SER 17 N -3.31 5.45 0.14 1.64 0.01 -1.26 -2.03 113.70 114.34 1dm3 s SER 17 Ca 0.47 1.71 -0.31 0.00 1.31 0.00 0.00 55.95 59.13 1dm3 s SER 17 Cb -0.10 -2.51 -0.10 0.00 0.21 0.00 0.00 66.02 63.51 1dm3 s SER 17 CO 0.32 -1.40 1.70 0.12 0.41 0.00 0.00 173.24 174.39 1dm3 s PHE 18 N -2.81 2.62 -1.33 2.43 5.36 -1.09 -1.35 117.98 121.80 1dm3 s PHE 18 Ca 0.60 0.31 -0.07 0.00 -0.96 0.00 0.00 56.93 56.81 1dm3 s PHE 18 Cb -0.15 -4.05 0.05 0.00 -0.34 0.00 0.00 43.02 38.53 1dm3 s PHE 18 CO 0.48 -4.13 0.48 0.09 -1.46 0.00 0.00 175.22 170.69 1dm3 n ASN 19 N 4.83 -4.34 0.00 6.13 3.02 -1.26 -4.92 115.26 118.71 1dm3 n ASN 19 Ca 0.16 -0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1dm3 n ASN 19 Cb 0.38 -3.57 0.00 0.00 -0.61 0.00 0.00 39.78 35.98 1dm3 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dm3 n GLY 20 N -1.23 1.31 0.30 7.41 0.00 -0.45 -4.66 105.19 107.86 1dm3 n GLY 20 Ca -0.05 -1.03 0.17 0.00 0.00 0.00 0.00 46.02 45.11 1dm3 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dm3 h ALA 21 N -1.08 1.21 -0.14 4.61 0.00 -1.92 -1.27 119.26 120.66 1dm3 h ALA 21 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1dm3 h ALA 21 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1dm3 h ALA 21 CO 0.00 0.05 -0.20 1.19 0.00 0.00 0.00 179.25 180.28 1dm3 n PHE 22 N -3.44 0.45 -0.32 0.00 3.72 -1.26 -4.79 117.46 111.82 1dm3 n PHE 22 Ca -0.02 -1.36 0.22 0.00 -0.05 0.00 0.00 57.45 56.24 1dm3 n PHE 22 Cb 0.15 -0.31 0.43 0.00 -0.94 0.00 0.00 39.48 38.81 1dm3 n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1dm3 h ALA 23 N 0.89 1.70 -0.41 4.37 0.00 -1.49 -0.34 119.26 123.98 1dm3 h ALA 23 Ca 0.07 0.26 -0.30 0.00 0.00 0.00 0.00 54.91 54.93 1dm3 h ALA 23 Cb 1.26 0.35 -0.28 0.00 0.00 0.00 0.00 17.79 19.12 1dm3 h ALA 23 CO 0.15 -0.67 -0.76 0.09 0.00 0.00 0.00 179.25 178.06 1dm3 n ASN 24 N -5.25 3.20 -4.30 0.00 3.02 -1.26 -4.24 115.26 106.43 1dm3 n ASN 24 Ca 0.30 -3.50 -0.37 0.00 -0.03 0.00 0.00 54.58 50.98 1dm3 n ASN 24 Cb 0.97 -0.42 -0.13 0.00 -0.61 0.00 0.00 39.78 39.59 1dm3 n ASN 24 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1dm3 s THR 25 N -3.72 3.73 0.44 3.41 2.01 -0.14 -5.08 115.64 116.29 1dm3 s THR 25 Ca 0.43 -0.87 -0.25 0.00 0.31 0.00 0.00 61.69 61.31 1dm3 s THR 25 Cb 0.39 -2.97 -0.09 0.00 0.01 0.00 0.00 72.50 69.83 1dm3 s THR 25 CO -0.02 0.03 1.28 -2.65 -0.69 0.00 0.00 174.62 172.56 1dm3 n PRO 26 N 4.82 1.89 -0.29 4.92 -0.02 -1.26 -4.86 135.00 140.19 1dm3 n PRO 26 Ca -0.14 0.68 0.16 0.00 -2.02 0.00 0.00 63.50 62.18 1dm3 n PRO 26 Cb 0.47 -2.41 0.43 0.00 -0.02 0.00 0.00 33.50 31.96 1dm3 n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dm3 h ALA 27 N 1.98 1.98 -0.01 3.55 0.00 -1.91 -1.55 119.26 123.29 1dm3 h ALA 27 Ca -0.48 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1dm3 h ALA 27 Cb 1.30 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1dm3 h ALA 27 CO 0.59 -0.29 -0.15 1.12 0.00 0.00 0.00 179.25 180.52 1dm3 h HIS 28 N 0.57 0.02 -0.22 0.00 2.07 -1.89 0.22 115.15 115.92 1dm3 h HIS 28 Ca 0.51 -0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.92 1dm3 h HIS 28 Cb 1.04 -0.01 -0.01 0.00 2.57 0.00 0.00 27.41 31.00 1dm3 h HIS 28 CO -0.00 0.18 -0.35 0.93 -3.07 0.00 0.00 177.93 175.62 1dm3 h GLU 29 N 0.02 0.47 -0.25 5.12 5.08 -1.62 -0.88 114.58 122.51 1dm3 h GLU 29 Ca 0.00 -0.21 -0.19 0.00 -1.00 0.00 0.00 59.36 57.96 1dm3 h GLU 29 Cb 0.29 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1dm3 h GLU 29 CO 0.02 0.76 -0.59 -0.07 -1.00 0.00 0.00 179.01 178.13 1dm3 h LEU 30 N 0.40 0.92 -0.57 1.33 3.38 -1.41 -2.79 115.31 116.57 1dm3 h LEU 30 Ca 0.04 -0.51 -0.07 0.00 0.09 0.00 0.00 57.88 57.43 1dm3 h LEU 30 Cb 0.80 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1dm3 h LEU 30 CO 0.06 1.30 0.08 1.23 0.09 0.00 0.00 178.44 181.21 1dm3 h GLY 31 N 0.73 1.03 1.37 0.83 0.00 -0.52 -2.29 103.07 104.21 1dm3 h GLY 31 Ca 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.62 1dm3 h GLY 31 CO 0.13 0.64 0.31 0.00 0.00 0.00 0.00 176.54 177.62 1dm3 h ALA 32 N 1.00 1.43 -0.39 3.60 0.00 -1.05 0.83 119.26 124.69 1dm3 h ALA 32 Ca 0.17 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1dm3 h ALA 32 Cb 0.43 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1dm3 h ALA 32 CO 0.01 0.46 -0.24 1.15 0.00 0.00 0.00 179.25 180.64 1dm3 h THR 33 N 0.83 1.27 -0.45 0.00 2.02 -1.22 -0.06 112.91 115.30 1dm3 h THR 33 Ca 0.21 -1.36 -0.13 0.00 0.77 0.00 0.00 66.41 65.91 1dm3 h THR 33 Cb 0.05 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1dm3 h THR 33 CO -0.03 0.45 -0.22 0.58 0.37 0.00 0.00 175.52 176.67 1dm3 h VAL 34 N 0.68 1.27 -0.43 3.16 2.07 -0.82 -0.56 116.25 121.61 1dm3 h VAL 34 Ca 0.09 -1.37 0.01 0.00 0.82 0.00 0.00 66.70 66.25 1dm3 h VAL 34 Cb 0.75 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1dm3 h VAL 34 CO 0.06 0.47 0.28 0.40 0.02 0.00 0.00 177.57 178.80 1dm3 h ILE 35 N 0.79 1.09 -0.45 4.57 2.04 -0.38 -2.26 117.51 122.92 1dm3 h ILE 35 Ca 0.11 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 1dm3 h ILE 35 Cb 0.77 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1dm3 h ILE 35 CO 0.06 0.10 0.07 0.28 0.00 0.00 0.00 178.15 178.67 1dm3 h SER 36 N 0.57 0.64 -0.37 1.72 0.02 -0.79 -2.71 113.55 112.64 1dm3 h SER 36 Ca 0.16 -0.12 -0.15 0.00 -0.84 0.00 0.00 61.79 60.85 1dm3 h SER 36 Cb -0.05 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1dm3 h SER 36 CO -0.05 0.67 -0.32 0.00 -1.14 0.00 0.00 176.83 175.99 1dm3 h ALA 37 N 1.42 0.66 -0.23 3.77 0.00 -0.87 -1.66 119.26 122.34 1dm3 h ALA 37 Ca 0.14 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1dm3 h ALA 37 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1dm3 h ALA 37 CO 0.00 0.67 -0.17 -0.39 0.00 0.00 0.00 179.25 179.36 1dm3 h VAL 38 N 0.76 1.23 0.25 0.00 -1.51 -1.10 0.13 116.25 116.00 1dm3 h VAL 38 Ca 0.08 -1.04 -0.01 0.00 -1.23 0.00 0.00 66.70 64.49 1dm3 h VAL 38 Cb 0.90 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 1dm3 h VAL 38 CO 0.08 0.33 -0.12 -0.07 -1.23 0.00 0.00 177.57 176.56 1dm3 h LEU 39 N 0.36 -0.28 -0.56 4.19 4.07 -1.47 -1.22 115.31 120.40 1dm3 h LEU 39 Ca 0.06 -0.24 0.09 0.00 0.08 0.00 0.00 57.88 57.88 1dm3 h LEU 39 Cb 0.52 0.07 -0.07 0.00 1.08 0.00 0.00 40.66 42.26 1dm3 h LEU 39 CO 0.03 0.15 0.15 -0.33 -1.08 0.00 0.00 178.44 177.36 1dm3 h GLU 40 N -0.78 0.29 -0.20 1.13 5.08 -1.16 0.31 114.58 119.25 1dm3 h GLU 40 Ca -0.03 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1dm3 h GLU 40 Cb 0.51 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1dm3 h GLU 40 CO 0.06 0.19 -0.26 0.00 -1.00 0.00 0.00 179.01 178.00 1dm3 h ARG 41 N 0.30 0.37 -0.00 2.33 3.08 -0.65 -2.58 114.38 117.23 1dm3 h ARG 41 Ca 0.28 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1dm3 h ARG 41 Cb 0.38 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1dm3 h ARG 41 CO -0.33 0.60 -0.37 0.00 -1.07 0.00 0.00 179.97 178.80 1dm3 n ALA 42 N -2.48 3.27 -1.28 0.04 0.00 -0.47 -4.94 120.51 114.66 1dm3 n ALA 42 Ca -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 53.44 53.08 1dm3 n ALA 42 Cb 0.39 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 1dm3 n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dm3 n GLY 43 N 1.45 0.47 3.79 0.00 0.00 -0.41 -4.96 105.19 105.53 1dm3 n GLY 43 Ca 0.08 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 1dm3 n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dm3 s VAL 44 N -2.08 5.12 0.25 1.61 1.01 -0.04 -5.03 120.40 121.26 1dm3 s VAL 44 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 1dm3 s VAL 44 Cb 0.00 -3.23 -0.06 0.00 0.00 0.00 0.00 36.38 33.09 1dm3 s VAL 44 CO 0.00 0.59 0.55 0.00 0.00 0.00 0.00 175.10 176.23 1dm3 s ALA 45 N -0.73 3.60 0.37 5.51 0.00 -1.26 -4.22 121.76 125.02 1dm3 s ALA 45 Ca 0.13 -0.41 0.04 0.00 0.00 0.00 0.00 51.96 51.71 1dm3 s ALA 45 Cb -0.12 -2.37 0.70 0.00 0.00 0.00 0.00 23.12 21.34 1dm3 s ALA 45 CO 0.03 0.39 2.02 0.00 0.00 0.00 0.00 175.76 178.20 1dm3 h ALA 46 N 2.15 1.60 0.00 0.00 0.00 -1.91 -1.69 119.26 119.41 1dm3 h ALA 46 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1dm3 h ALA 46 Cb 1.18 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1dm3 h ALA 46 CO 0.68 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.70 1dm3 n GLY 47 N -1.45 -0.46 0.25 0.00 0.00 -1.26 -1.90 105.19 100.37 1dm3 n GLY 47 Ca 0.06 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.19 1dm3 n GLY 47 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dm3 n GLU 48 N -1.43 0.63 -2.60 1.61 1.02 -0.64 -4.86 120.64 114.37 1dm3 n GLU 48 Ca 0.00 -0.50 -0.41 0.00 -0.02 0.00 0.00 57.16 56.23 1dm3 n GLU 48 Cb 0.01 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 29.90 1dm3 n GLU 48 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1dm3 s VAL 49 N -2.71 4.25 -0.09 2.62 1.01 -0.80 -4.61 120.40 120.08 1dm3 s VAL 49 Ca 0.15 1.81 -0.04 0.00 0.00 0.00 0.00 61.98 63.90 1dm3 s VAL 49 Cb 0.17 -4.16 -0.27 0.00 0.00 0.00 0.00 36.38 32.13 1dm3 s VAL 49 CO 0.68 0.25 0.50 0.78 0.00 0.00 0.00 175.10 177.31 1dm3 h ASN 50 N 5.76 0.39 -4.03 3.32 -0.26 -1.36 -3.43 115.58 115.98 1dm3 h ASN 50 Ca -0.43 -0.79 -0.05 0.00 -0.56 0.00 0.00 56.30 54.47 1dm3 h ASN 50 Cb 1.21 -0.13 -0.21 0.00 -1.06 0.00 0.00 38.32 38.13 1dm3 h ASN 50 CO 0.74 1.70 0.09 -0.70 -1.06 0.00 0.00 177.43 178.20 1dm3 s GLU 51 N -2.57 0.81 -0.21 0.81 2.12 -1.23 -1.87 118.70 116.56 1dm3 s GLU 51 Ca -0.18 0.92 -0.04 0.00 0.36 0.00 0.00 54.97 56.04 1dm3 s GLU 51 Cb 0.07 0.39 -0.01 0.00 0.26 0.00 0.00 34.13 34.84 1dm3 s GLU 51 CO 0.80 -0.10 -0.04 0.08 -0.54 0.00 0.00 175.26 175.45 1dm3 s VAL 52 N 0.30 3.46 -0.27 3.70 1.01 -0.48 -1.38 120.40 126.73 1dm3 s VAL 52 Ca -0.00 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1dm3 s VAL 52 Cb -0.05 -2.56 0.05 0.00 0.00 0.00 0.00 36.38 33.82 1dm3 s VAL 52 CO 0.01 0.43 -0.06 -0.63 0.00 0.00 0.00 175.10 174.85 1dm3 s ILE 53 N 1.29 2.54 -0.20 2.22 1.01 -0.26 -1.14 121.20 126.66 1dm3 s ILE 53 Ca 0.04 -1.48 0.01 0.00 0.00 0.00 0.00 60.65 59.21 1dm3 s ILE 53 Cb -0.14 -2.46 0.04 0.00 0.01 0.00 0.00 42.46 39.91 1dm3 s ILE 53 CO -0.01 -0.03 -0.11 -0.76 0.00 0.00 0.00 174.94 174.02 1dm3 s LEU 54 N 1.18 2.31 0.45 2.97 1.43 -0.36 -1.62 118.68 125.04 1dm3 s LEU 54 Ca -0.07 -0.88 -0.25 0.00 -1.03 0.00 0.00 54.13 51.90 1dm3 s LEU 54 Cb -0.20 -1.26 -0.08 0.00 0.03 0.00 0.00 46.19 44.69 1dm3 s LEU 54 CO -0.04 -0.14 1.35 -0.83 0.23 0.00 0.00 176.35 176.93 1dm3 s GLY 55 N 1.38 2.91 -0.30 -3.19 0.00 0.50 -2.78 107.32 105.83 1dm3 s GLY 55 Ca -0.01 1.32 -0.14 0.00 0.00 0.00 0.00 44.72 45.89 1dm3 s GLY 55 CO -0.08 1.89 0.96 1.62 0.00 0.00 0.00 173.10 177.49 1dm3 s GLN 56 N -2.45 0.31 -0.03 2.90 0.74 -0.37 -1.11 119.66 119.66 1dm3 s GLN 56 Ca 0.61 0.74 0.12 0.00 0.05 0.00 0.00 55.36 56.88 1dm3 s GLN 56 Cb -0.40 0.44 -0.22 0.00 1.10 0.00 0.00 33.01 33.93 1dm3 s GLN 56 CO 0.51 -0.14 0.71 0.28 -0.55 0.00 0.00 175.29 176.09 1dm3 h VAL 57 N 5.53 0.89 -2.57 1.34 2.07 -1.82 -3.42 116.25 118.28 1dm3 h VAL 57 Ca -0.16 -2.72 -0.60 0.00 0.82 0.00 0.00 66.70 64.04 1dm3 h VAL 57 Cb 1.12 2.43 -0.41 0.00 -1.52 0.00 0.00 31.29 32.91 1dm3 h VAL 57 CO 0.07 0.51 -0.70 0.18 0.02 0.00 0.00 177.57 177.65 1dm3 n LEU 58 N -3.06 2.40 -0.49 2.57 4.77 -1.26 -4.87 117.00 117.07 1dm3 n LEU 58 Ca -0.15 -5.10 0.13 0.00 -0.03 0.00 0.00 56.01 50.85 1dm3 n LEU 58 Cb 1.04 -0.37 0.29 0.00 -2.33 0.00 0.00 43.42 42.04 1dm3 n LEU 58 CO 0.45 1.90 0.64 -0.81 -1.33 0.00 0.00 177.39 178.24 1dm3 n PRO 59 N 1.67 1.41 -1.60 3.23 -0.04 -1.26 -4.75 135.00 133.66 1dm3 n PRO 59 Ca 0.25 -0.98 -0.53 0.00 -0.04 0.00 0.00 63.50 62.19 1dm3 n PRO 59 Cb 0.41 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.33 1dm3 n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1dm3 n ALA 60 N 0.06 -1.06 -0.84 0.55 0.00 -1.26 -1.14 120.51 116.81 1dm3 n ALA 60 Ca 0.14 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1dm3 n ALA 60 Cb 0.42 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1dm3 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dm3 n GLY 61 N 2.63 1.30 0.01 0.00 0.00 -1.26 -4.55 105.19 103.33 1dm3 n GLY 61 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.35 1dm3 n GLY 61 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1dm3 n GLU 62 N -2.00 0.04 0.00 1.61 2.13 -0.30 -5.03 120.64 117.09 1dm3 n GLU 62 Ca 0.00 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1dm3 n GLU 62 Cb 0.00 -1.54 0.00 0.00 0.27 0.00 0.00 31.44 30.17 1dm3 n GLU 62 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1dm3 n GLY 63 N 1.47 1.07 3.67 8.31 0.00 -1.26 -4.86 105.19 113.59 1dm3 n GLY 63 Ca 0.06 -2.02 -0.60 0.00 0.00 0.00 0.00 46.02 43.47 1dm3 n GLY 63 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dm3 n GLN 64 N 1.48 0.66 -2.52 1.61 6.02 -1.26 -3.94 117.38 119.43 1dm3 n GLN 64 Ca 0.00 0.24 -0.16 0.00 -0.01 0.00 0.00 57.00 57.07 1dm3 n GLN 64 Cb 0.00 -1.84 0.01 0.00 1.02 0.00 0.00 30.24 29.44 1dm3 n GLN 64 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1dm3 n ASN 65 N 3.87 -2.42 -0.35 1.08 5.15 -1.26 -4.64 115.26 116.69 1dm3 n ASN 65 Ca 0.25 -0.22 0.26 0.00 -0.60 0.00 0.00 54.58 54.27 1dm3 n ASN 65 Cb 0.08 -0.74 0.54 0.00 -0.53 0.00 0.00 39.78 39.13 1dm3 n ASN 65 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1dm3 h PRO 66 N 0.76 0.31 -0.78 1.20 0.11 -1.90 -0.32 132.00 131.39 1dm3 h PRO 66 Ca -0.28 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 65.92 1dm3 h PRO 66 Cb 0.66 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 31.62 1dm3 h PRO 66 CO 0.13 0.20 0.40 0.00 -0.21 0.00 0.00 178.00 178.52 1dm3 h ALA 67 N 1.63 1.12 -0.41 -0.75 0.00 -1.89 0.27 119.26 119.23 1dm3 h ALA 67 Ca 0.66 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.48 1dm3 h ALA 67 Cb 1.77 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1dm3 h ALA 67 CO -0.35 -0.04 -0.35 -0.09 0.00 0.00 0.00 179.25 178.42 1dm3 h ARG 68 N 0.63 0.96 -0.31 0.00 9.65 -1.33 -1.72 114.38 122.27 1dm3 h ARG 68 Ca 0.40 -0.48 0.01 0.00 -1.10 0.00 0.00 59.98 58.81 1dm3 h ARG 68 Cb 0.47 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.04 1dm3 h ARG 68 CO -0.30 1.15 0.18 1.96 2.80 0.00 0.00 179.97 185.75 1dm3 h GLN 69 N 0.79 0.35 -0.80 0.20 4.20 -0.93 0.66 115.11 119.58 1dm3 h GLN 69 Ca 0.07 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1dm3 h GLN 69 Cb 0.94 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.61 1dm3 h GLN 69 CO 0.09 0.23 0.32 0.00 -0.67 0.00 0.00 178.83 178.81 1dm3 h ALA 70 N 1.14 1.06 -0.05 3.87 0.00 -0.41 -1.74 119.26 123.13 1dm3 h ALA 70 Ca 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1dm3 h ALA 70 Cb 0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1dm3 h ALA 70 CO -0.06 0.67 0.01 0.00 0.00 0.00 0.00 179.25 179.86 1dm3 h ALA 71 N 1.19 0.07 -0.66 0.00 0.00 -1.09 -1.62 119.26 117.14 1dm3 h ALA 71 Ca 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1dm3 h ALA 71 Cb 0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1dm3 h ALA 71 CO -0.02 -0.28 0.39 0.52 0.00 0.00 0.00 179.25 179.85 1dm3 h MET 72 N -0.17 0.91 -0.76 0.00 2.07 -0.82 -1.94 114.93 114.22 1dm3 h MET 72 Ca 0.02 -0.09 0.00 0.00 -2.07 0.00 0.00 59.70 57.56 1dm3 h MET 72 Cb 0.29 -0.19 -0.04 0.00 -1.87 0.00 0.00 31.60 29.80 1dm3 h MET 72 CO 0.00 0.67 0.49 -0.22 1.07 0.00 0.00 176.91 178.92 1dm3 h LYS 73 N 0.90 1.01 0.00 1.72 1.63 -1.14 -0.97 116.57 119.72 1dm3 h LYS 73 Ca 0.24 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1dm3 h LYS 73 Cb 0.00 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.41 1dm3 h LYS 73 CO -0.04 0.68 0.00 0.00 -3.45 0.00 0.00 179.45 176.64 1dm3 n ALA 74 N -2.32 1.71 -0.52 5.00 0.00 -0.62 -4.85 120.51 118.90 1dm3 n ALA 74 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1dm3 n ALA 74 Cb 0.03 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1dm3 n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dm3 n GLY 75 N -0.06 0.74 3.73 0.00 0.00 -0.37 -4.84 105.19 104.40 1dm3 n GLY 75 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1dm3 n GLY 75 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1dm3 n VAL 76 N -2.43 0.53 -1.31 1.61 0.31 -0.77 -4.49 118.33 111.78 1dm3 n VAL 76 Ca 0.00 -0.13 -0.35 0.00 -0.01 0.00 0.00 64.34 63.85 1dm3 n VAL 76 Cb 0.00 -1.97 0.10 0.00 -0.91 0.00 0.00 33.84 31.06 1dm3 n VAL 76 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1dm3 n PRO 77 N 3.02 0.46 0.30 5.55 -0.04 -1.26 -4.43 135.00 138.59 1dm3 n PRO 77 Ca 0.12 0.22 0.19 0.00 -0.04 0.00 0.00 63.50 63.98 1dm3 n PRO 77 Cb 0.36 -2.28 0.89 0.00 -0.04 0.00 0.00 33.50 32.42 1dm3 n PRO 77 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1dm3 h GLN 78 N -0.38 0.00 0.00 0.54 3.07 -1.98 -1.93 115.11 114.43 1dm3 h GLN 78 Ca -0.47 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.25 1dm3 h GLN 78 Cb 1.32 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.88 1dm3 h GLN 78 CO 0.47 0.02 -0.09 0.93 0.09 0.00 0.00 178.83 180.25 1dm3 h GLU 79 N 0.00 0.00 0.00 0.06 3.07 -1.98 -3.44 114.58 112.29 1dm3 h GLU 79 Ca -0.00 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.49 1dm3 h GLU 79 Cb 0.30 0.00 0.15 0.00 -0.84 0.00 0.00 28.75 28.36 1dm3 h GLU 79 CO 0.00 0.09 0.34 0.00 -1.40 0.00 0.00 179.01 178.05 1dm3 n ALA 80 N -2.14 -1.22 -2.51 3.43 0.00 -0.73 -5.08 120.51 112.27 1dm3 n ALA 80 Ca 0.01 -1.50 -0.25 0.00 0.00 0.00 0.00 53.44 51.70 1dm3 n ALA 80 Cb 0.40 -0.05 -0.09 0.00 0.00 0.00 0.00 19.45 19.71 1dm3 n ALA 80 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1dm3 s THR 81 N -3.43 0.74 -0.11 0.00 -4.23 -0.78 -4.99 115.64 102.83 1dm3 s THR 81 Ca 0.64 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.85 1dm3 s THR 81 Cb -0.02 -2.43 0.10 0.00 1.34 0.00 0.00 72.50 71.49 1dm3 s THR 81 CO 0.45 0.00 0.87 0.00 -0.54 0.00 0.00 174.62 175.40 1dm3 s ALA 82 N -3.22 -1.86 0.14 3.99 0.00 -1.26 -1.38 121.76 118.16 1dm3 s ALA 82 Ca 0.26 1.46 -0.22 0.00 0.00 0.00 0.00 51.96 53.46 1dm3 s ALA 82 Cb 0.04 -0.40 0.06 0.00 0.00 0.00 0.00 23.12 22.82 1dm3 s ALA 82 CO 0.14 -0.35 0.55 1.67 0.00 0.00 0.00 175.76 177.77 1dm3 s TRP 83 N -1.21 -0.45 0.15 0.00 1.48 -0.29 -4.66 118.94 113.96 1dm3 s TRP 83 Ca -0.05 0.26 0.06 0.00 -1.06 0.00 0.00 56.10 55.30 1dm3 s TRP 83 Cb -0.00 0.47 -0.04 0.00 -1.16 0.00 0.00 33.47 32.73 1dm3 s TRP 83 CO 0.04 -0.79 0.05 0.20 -4.06 0.00 0.00 176.95 172.40 1dm3 s GLY 84 N -2.66 1.77 0.19 3.67 0.00 -1.26 -1.22 107.32 107.80 1dm3 s GLY 84 Ca 0.01 -1.26 -0.03 0.00 0.00 0.00 0.00 44.72 43.44 1dm3 s GLY 84 CO -0.11 -1.26 0.17 -3.16 0.00 0.00 0.00 173.10 168.73 1dm3 s MET 85 N -2.87 1.19 -0.28 2.90 0.23 -1.12 -4.92 119.30 114.43 1dm3 s MET 85 Ca 0.29 -1.53 -0.01 0.00 -1.03 0.00 0.00 55.69 53.41 1dm3 s MET 85 Cb -0.10 0.29 0.13 0.00 -1.53 0.00 0.00 34.83 33.62 1dm3 s MET 85 CO 0.20 -0.40 0.29 1.21 -2.03 0.00 0.00 175.02 174.29 1dm3 s ASN 86 N -3.11 1.61 -0.29 -1.18 2.47 -1.26 -1.23 114.94 111.94 1dm3 s ASN 86 Ca 0.33 -0.66 0.07 0.00 0.42 0.00 0.00 52.86 53.02 1dm3 s ASN 86 Cb 0.06 0.51 0.46 0.00 -1.45 0.00 0.00 41.25 40.82 1dm3 s ASN 86 CO 0.09 -0.38 1.22 1.67 -3.72 0.00 0.00 177.10 175.98 1dm3 n GLN 87 N 5.31 3.37 0.00 0.43 7.27 -1.26 -5.02 117.38 127.48 1dm3 n GLN 87 Ca -0.03 -4.05 0.00 0.00 0.07 0.00 0.00 57.00 53.00 1dm3 n GLN 87 Cb 0.47 -2.21 0.00 0.00 2.41 0.00 0.00 30.24 30.91 1dm3 n GLN 87 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1dm3 n LEU 88 N -0.76 0.00 0.00 1.69 4.77 -1.26 -3.39 117.00 118.05 1dm3 n LEU 88 Ca 0.42 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1dm3 n LEU 88 Cb 0.93 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 1dm3 n LEU 88 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1dm3 n GLY 90 N 0.00 0.00 0.22 -0.72 0.00 -1.26 -4.31 105.19 99.12 1dm3 n GLY 90 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1dm3 n GLY 90 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1dm3 h SER 91 N 0.00 -0.43 -0.16 1.61 0.02 -1.81 0.15 113.55 112.93 1dm3 h SER 91 Ca 0.00 0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1dm3 h SER 91 Cb 0.00 0.32 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1dm3 h SER 91 CO 0.00 -0.16 -0.05 1.23 -1.14 0.00 0.00 176.83 176.71 1dm3 h GLY 92 N 0.04 0.49 0.98 -3.77 0.00 -1.39 -0.47 103.07 98.95 1dm3 h GLY 92 Ca 0.28 -0.30 -0.28 0.00 0.00 0.00 0.00 47.33 47.03 1dm3 h GLY 92 CO -0.55 0.28 -1.25 -2.00 0.00 0.00 0.00 176.54 173.01 1dm3 h LEU 93 N 0.43 0.67 -1.36 3.11 5.85 -1.54 -3.27 115.31 119.21 1dm3 h LEU 93 Ca 0.09 -0.93 -0.05 0.00 0.84 0.00 0.00 57.88 57.83 1dm3 h LEU 93 Cb 0.36 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1dm3 h LEU 93 CO 0.02 1.60 -0.12 -0.09 -0.34 0.00 0.00 178.44 179.51 1dm3 h ARG 94 N -0.07 0.29 -0.86 1.25 9.65 -0.44 -1.88 114.38 122.31 1dm3 h ARG 94 Ca -0.22 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.58 1dm3 h ARG 94 Cb 1.95 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 30.45 1dm3 h ARG 94 CO 0.21 0.41 0.48 0.00 2.80 0.00 0.00 179.97 183.88 1dm3 h ALA 95 N 1.61 1.10 -0.49 2.80 0.00 -1.20 0.23 119.26 123.31 1dm3 h ALA 95 Ca 0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1dm3 h ALA 95 Cb 0.38 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1dm3 h ALA 95 CO 0.02 0.59 0.31 0.28 0.00 0.00 0.00 179.25 180.45 1dm3 h VAL 96 N 1.19 1.14 -0.47 0.00 2.07 -1.44 0.57 116.25 119.31 1dm3 h VAL 96 Ca 0.30 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1dm3 h VAL 96 Cb 0.01 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1dm3 h VAL 96 CO -0.05 0.15 0.23 0.00 0.02 0.00 0.00 177.57 177.91 1dm3 h ALA 97 N 1.15 0.59 -0.19 1.67 0.00 -0.93 0.84 119.26 122.40 1dm3 h ALA 97 Ca 0.18 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1dm3 h ALA 97 Cb -0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1dm3 h ALA 97 CO -0.03 -0.13 -0.33 -0.07 0.00 0.00 0.00 179.25 178.68 1dm3 h LEU 98 N 0.45 0.39 -0.39 0.00 3.38 -0.24 -1.83 115.31 117.07 1dm3 h LEU 98 Ca 0.21 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1dm3 h LEU 98 Cb 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1dm3 h LEU 98 CO -0.15 0.71 0.01 1.23 0.09 0.00 0.00 178.44 180.32 1dm3 h GLY 99 N 1.09 0.74 0.54 0.83 0.00 0.46 -2.68 103.07 104.06 1dm3 h GLY 99 Ca 0.04 -0.54 0.08 0.00 0.00 0.00 0.00 47.33 46.91 1dm3 h GLY 99 CO 0.06 0.50 0.32 1.98 0.00 0.00 0.00 176.54 179.40 1dm3 h MET 100 N 0.51 0.56 -0.44 4.80 1.85 -0.38 -1.75 114.93 120.08 1dm3 h MET 100 Ca 0.11 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.16 1dm3 h MET 100 Cb 0.46 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.34 1dm3 h MET 100 CO 0.02 0.37 0.23 1.96 -0.40 0.00 0.00 176.91 179.09 1dm3 h GLN 101 N 0.57 0.59 -0.78 0.39 4.20 -1.12 -0.57 115.11 118.40 1dm3 h GLN 101 Ca 0.31 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1dm3 h GLN 101 Cb 0.29 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 1dm3 h GLN 101 CO -0.24 0.44 0.49 1.96 -0.67 0.00 0.00 178.83 180.82 1dm3 h GLN 102 N 0.60 1.04 -0.05 1.46 1.08 -0.99 -1.61 115.11 116.65 1dm3 h GLN 102 Ca 0.16 -0.08 -0.25 0.00 -1.45 0.00 0.00 58.65 57.02 1dm3 h GLN 102 Cb 0.02 -0.23 0.02 0.00 -0.05 0.00 0.00 27.48 27.24 1dm3 h GLN 102 CO -0.03 0.71 -0.96 0.82 -0.95 0.00 0.00 178.83 178.43 1dm3 h ILE 103 N 1.06 1.28 -0.49 2.54 2.04 -1.35 -1.32 117.51 121.27 1dm3 h ILE 103 Ca 0.28 -2.17 -0.01 0.00 1.00 0.00 0.00 64.86 63.97 1dm3 h ILE 103 Cb -0.08 2.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 1dm3 h ILE 103 CO -0.06 0.68 0.28 0.00 0.00 0.00 0.00 178.15 179.05 1dm3 h ALA 104 N 0.46 1.58 -0.25 1.87 0.00 -0.97 0.15 119.26 122.10 1dm3 h ALA 104 Ca -0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1dm3 h ALA 104 Cb 1.61 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1dm3 h ALA 104 CO 0.19 0.36 0.00 0.25 0.00 0.00 0.00 179.25 180.05 1dm3 n THR 105 N -4.43 0.33 -0.95 0.00 -2.24 -0.62 -4.93 114.28 101.45 1dm3 n THR 105 Ca 0.04 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1dm3 n THR 105 Cb 0.09 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1dm3 n THR 105 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dm3 n GLY 106 N 1.19 0.67 0.01 3.38 0.00 0.54 -4.92 105.19 106.05 1dm3 n GLY 106 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.31 1dm3 n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dm3 n ASP 107 N -0.07 0.15 -3.71 1.61 8.00 -0.52 -4.91 116.55 117.10 1dm3 n ASP 107 Ca 0.00 0.23 -0.10 0.00 0.71 0.00 0.00 54.79 55.63 1dm3 n ASP 107 Cb 0.03 -0.29 -0.06 0.00 -0.02 0.00 0.00 41.12 40.79 1dm3 n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dm3 s ALA 108 N -2.95 -0.71 -0.11 2.24 0.00 -1.11 -4.99 121.76 114.14 1dm3 s ALA 108 Ca 0.15 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.92 1dm3 s ALA 108 Cb 0.19 0.59 -0.07 0.00 0.00 0.00 0.00 23.12 23.83 1dm3 s ALA 108 CO 0.56 -0.58 -0.09 0.43 0.00 0.00 0.00 175.76 176.08 1dm3 n SER 109 N -0.09 3.12 -3.96 0.00 7.64 -1.26 -4.08 113.62 114.99 1dm3 n SER 109 Ca -0.16 -0.06 -0.28 0.00 1.01 0.00 0.00 58.87 59.38 1dm3 n SER 109 Cb 0.63 -0.12 -0.17 0.00 -1.01 0.00 0.00 64.21 63.54 1dm3 n SER 109 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1dm3 s ILE 110 N -2.22 1.29 0.05 0.44 1.01 -1.26 -4.29 121.20 116.22 1dm3 s ILE 110 Ca -0.14 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.13 1dm3 s ILE 110 Cb 0.04 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 1dm3 s ILE 110 CO 0.26 0.41 -0.21 -0.63 0.00 0.00 0.00 174.94 174.77 1dm3 s ILE 111 N 1.60 1.73 -0.27 2.92 -1.09 -0.88 -0.88 121.20 124.34 1dm3 s ILE 111 Ca 0.05 -1.27 -0.06 0.00 -2.23 0.00 0.00 60.65 57.14 1dm3 s ILE 111 Cb -0.13 -1.51 0.00 0.00 -1.58 0.00 0.00 42.46 39.24 1dm3 s ILE 111 CO -0.09 0.19 0.04 -0.69 -1.23 0.00 0.00 174.94 173.15 1dm3 s VAL 112 N -0.85 3.80 0.06 2.92 1.01 -0.48 -0.39 120.40 126.47 1dm3 s VAL 112 Ca 0.08 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1dm3 s VAL 112 Cb -0.09 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1dm3 s VAL 112 CO 0.02 0.20 -0.09 0.00 0.00 0.00 0.00 175.10 175.23 1dm3 s ALA 113 N 1.50 0.76 0.00 5.51 0.00 -0.10 -1.11 121.76 128.32 1dm3 s ALA 113 Ca 0.04 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1dm3 s ALA 113 Cb -0.16 0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1dm3 s ALA 113 CO 0.01 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.17 1dm3 n GLY 114 N 1.21 -0.73 3.61 0.00 0.00 -0.64 0.27 105.19 108.91 1dm3 n GLY 114 Ca -0.21 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 1dm3 n GLY 114 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dm3 s GLY 115 N 0.00 0.38 -0.02 -0.02 0.00 0.43 -0.37 107.32 107.72 1dm3 s GLY 115 Ca 0.00 -0.73 -0.15 0.00 0.00 0.00 0.00 44.72 43.84 1dm3 s GLY 115 CO 0.00 -0.52 0.32 -3.16 0.00 0.00 0.00 173.10 169.74 1dm3 s MET 116 N -3.99 0.67 -0.26 2.90 0.23 -0.27 -0.63 119.30 117.96 1dm3 s MET 116 Ca 0.19 -0.17 -0.22 0.00 -1.03 0.00 0.00 55.69 54.46 1dm3 s MET 116 Cb -0.01 0.30 0.07 0.00 -1.53 0.00 0.00 34.83 33.65 1dm3 s MET 116 CO 0.07 -0.18 0.67 -2.00 -2.03 0.00 0.00 175.02 171.55 1dm3 s GLU 117 N -1.30 0.77 -0.53 3.16 2.56 0.06 -4.29 118.70 119.13 1dm3 s GLU 117 Ca -0.13 0.98 0.04 0.00 0.00 0.00 0.00 54.97 55.86 1dm3 s GLU 117 Cb -0.05 0.34 0.14 0.00 2.00 0.00 0.00 34.13 36.55 1dm3 s GLU 117 CO 0.04 -0.10 0.28 0.45 -0.56 0.00 0.00 175.26 175.37 1dm3 s SER 118 N 0.58 4.25 0.28 -1.70 0.15 -1.26 -1.49 113.70 114.52 1dm3 s SER 118 Ca -0.02 -3.06 0.02 0.00 0.70 0.00 0.00 55.95 53.59 1dm3 s SER 118 Cb -0.05 -1.54 0.40 0.00 -1.71 0.00 0.00 66.02 63.12 1dm3 s SER 118 CO -0.03 -0.22 1.71 0.24 1.20 0.00 0.00 173.24 176.15 1dm3 h MET 119 N 6.39 0.47 -0.77 5.44 2.86 -1.93 -2.93 114.93 124.47 1dm3 h MET 119 Ca -0.04 -0.18 0.06 0.00 -2.06 0.00 0.00 59.70 57.48 1dm3 h MET 119 Cb 0.88 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.46 1dm3 h MET 119 CO 0.66 0.70 0.45 0.77 1.06 0.00 0.00 176.91 180.56 1dm3 h SER 120 N 0.41 0.69 0.59 1.22 0.02 -1.88 -2.44 113.55 112.16 1dm3 h SER 120 Ca 0.06 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1dm3 h SER 120 Cb 0.69 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1dm3 h SER 120 CO 0.05 0.44 -0.01 0.23 -1.14 0.00 0.00 176.83 176.40 1dm3 n MET 121 N -4.71 0.41 -1.95 3.45 2.81 -1.14 -4.87 117.12 111.11 1dm3 n MET 121 Ca 0.11 -0.01 -0.40 0.00 -1.81 0.00 0.00 57.70 55.59 1dm3 n MET 121 Cb 0.19 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 1dm3 n MET 121 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1dm3 s ALA 122 N -2.60 3.28 0.55 3.04 0.00 -0.92 -4.99 121.76 120.11 1dm3 s ALA 122 Ca 0.27 1.33 0.09 0.00 0.00 0.00 0.00 51.96 53.66 1dm3 s ALA 122 Cb 0.20 -3.53 0.07 0.00 0.00 0.00 0.00 23.12 19.86 1dm3 s ALA 122 CO 0.47 -0.96 0.75 -1.25 0.00 0.00 0.00 175.76 174.77 1dm3 s PRO 123 N -2.29 2.40 0.01 0.00 0.04 -1.26 -4.79 135.00 129.10 1dm3 s PRO 123 Ca 0.58 -1.53 -0.06 0.00 0.04 0.00 0.00 61.00 60.03 1dm3 s PRO 123 Cb -0.41 -2.66 -0.05 0.00 0.04 0.00 0.00 34.50 31.43 1dm3 s PRO 123 CO 0.52 -0.75 0.26 -1.01 0.04 0.00 0.00 177.00 176.06 1dm3 s HIS 124 N -2.62 3.58 0.17 0.56 3.76 -1.26 -0.95 115.29 118.54 1dm3 s HIS 124 Ca 0.60 0.56 -0.06 0.00 -0.15 0.00 0.00 55.06 56.01 1dm3 s HIS 124 Cb -0.07 -1.98 -0.02 0.00 1.11 0.00 0.00 32.58 31.62 1dm3 s HIS 124 CO 0.38 0.61 0.23 0.00 -0.85 0.00 0.00 174.74 175.12 1dm3 s ALA 126 N -4.02 -1.11 -0.44 0.00 0.00 -1.26 -0.15 121.76 114.77 1dm3 s ALA 126 Ca 0.23 1.26 -0.29 0.00 0.00 0.00 0.00 51.96 53.16 1dm3 s ALA 126 Cb 0.04 -0.73 0.03 0.00 0.00 0.00 0.00 23.12 22.46 1dm3 s ALA 126 CO 0.03 -0.21 1.12 -1.58 0.00 0.00 0.00 175.76 175.12 1dm3 s HIS 127 N 0.22 2.89 -0.16 0.00 2.46 -1.26 -4.88 115.29 114.55 1dm3 s HIS 127 Ca -0.00 0.81 0.01 0.00 0.47 0.00 0.00 55.06 56.36 1dm3 s HIS 127 Cb -0.03 -4.28 0.02 0.00 -0.13 0.00 0.00 32.58 28.16 1dm3 s HIS 127 CO 0.01 -1.17 0.71 1.28 -2.47 0.00 0.00 174.74 173.10 1dm3 n LEU 128 N 7.64 1.46 -0.25 8.88 4.77 -1.26 -4.72 117.00 133.52 1dm3 n LEU 128 Ca 0.12 -1.34 -0.03 0.00 -0.03 0.00 0.00 56.01 54.73 1dm3 n LEU 128 Cb 0.49 -0.01 0.08 0.00 -2.33 0.00 0.00 43.42 41.64 1dm3 n LEU 128 CO 0.69 0.36 1.15 0.03 -1.33 0.00 0.00 177.39 178.28 1dm3 h ARG 129 N 0.28 0.84 0.00 3.23 3.08 -2.07 -2.45 114.38 117.30 1dm3 h ARG 129 Ca 0.00 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 1dm3 h ARG 129 Cb 0.22 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1dm3 h ARG 129 CO 0.00 0.56 -0.30 0.78 -1.07 0.00 0.00 179.97 179.94 1dm3 h GLY 130 N 0.87 0.00 0.00 0.04 0.00 -2.02 -3.49 103.07 98.46 1dm3 h GLY 130 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1dm3 h GLY 130 CO -0.11 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.04 1dm3 n GLY 131 N 0.01 -0.70 3.20 4.60 0.00 -0.92 -4.91 105.19 106.48 1dm3 n GLY 131 Ca -0.01 -1.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.15 1dm3 n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dm3 s VAL 132 N -3.09 3.76 0.28 1.61 1.01 -1.26 -4.96 120.40 117.74 1dm3 s VAL 132 Ca 0.00 -1.67 0.02 0.00 0.00 0.00 0.00 61.98 60.33 1dm3 s VAL 132 Cb 0.00 -3.40 0.27 0.00 0.00 0.00 0.00 36.38 33.25 1dm3 s VAL 132 CO 0.00 -0.55 1.78 0.11 0.00 0.00 0.00 175.10 176.44 1dm3 h LYS 133 N 8.24 0.72 -1.29 2.72 1.79 -2.02 -3.44 116.57 123.29 1dm3 h LYS 133 Ca -0.19 -0.04 0.16 0.00 -2.18 0.00 0.00 60.65 58.39 1dm3 h LYS 133 Cb 1.07 -0.16 -0.27 0.00 -1.58 0.00 0.00 32.23 31.28 1dm3 h LYS 133 CO 0.72 0.48 0.74 1.41 -1.08 0.00 0.00 179.45 181.72 1dm3 s MET 134 N -5.93 0.29 0.00 3.15 0.00 -1.26 -5.16 119.30 110.39 1dm3 s MET 134 Ca -0.12 0.15 0.00 0.00 0.00 0.00 0.00 55.69 55.72 1dm3 s MET 134 Cb 0.23 0.14 0.00 0.00 0.00 0.00 0.00 34.83 35.20 1dm3 s MET 134 CO 0.79 -0.07 0.00 0.41 0.00 0.00 0.00 175.02 176.15 1dm3 n GLY 135 N 1.03 2.59 3.84 2.11 0.00 -1.26 -5.05 105.19 108.45 1dm3 n GLY 135 Ca -0.07 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 1dm3 n GLY 135 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dm3 s ASP 136 N 0.00 6.12 0.05 1.61 1.01 -1.26 -5.07 116.67 119.14 1dm3 s ASP 136 Ca 0.00 1.57 -0.06 0.00 0.71 0.00 0.00 52.55 54.76 1dm3 s ASP 136 Cb 0.00 -2.50 -0.01 0.00 1.01 0.00 0.00 42.92 41.42 1dm3 s ASP 136 CO 0.00 -0.94 0.12 0.72 0.21 0.00 0.00 175.17 175.28 1dm3 s PHE 137 N -2.87 0.21 0.10 4.23 -0.12 -1.26 -5.16 117.98 113.12 1dm3 s PHE 137 Ca 0.58 -0.58 -0.22 0.00 -0.05 0.00 0.00 56.93 56.66 1dm3 s PHE 137 Cb -0.12 -0.14 -0.07 0.00 -0.63 0.00 0.00 43.02 42.06 1dm3 s PHE 137 CO 0.44 -0.43 0.67 0.15 -0.05 0.00 0.00 175.22 176.00 1dm3 s LYS 138 N -3.18 4.37 -0.30 1.99 1.02 -1.26 -5.05 119.74 117.34 1dm3 s LYS 138 Ca -0.00 0.92 -0.09 0.00 0.02 0.00 0.00 55.97 56.82 1dm3 s LYS 138 Cb 0.02 -3.27 -0.01 0.00 -0.52 0.00 0.00 37.83 34.05 1dm3 s LYS 138 CO -0.07 0.56 0.15 -1.64 -0.92 0.00 0.00 175.35 173.42 1dm3 s MET 139 N -0.94 3.42 -0.18 1.68 -1.94 -1.26 -4.65 119.30 115.43 1dm3 s MET 139 Ca 0.32 -0.66 -0.12 0.00 -1.71 0.00 0.00 55.69 53.53 1dm3 s MET 139 Cb -0.21 -3.54 -0.05 0.00 2.01 0.00 0.00 34.83 33.04 1dm3 s MET 139 CO 0.22 -0.37 0.21 0.42 -0.01 0.00 0.00 175.02 175.49 1dm3 s ILE 140 N 1.62 5.36 -0.37 2.53 -1.09 0.79 -4.74 121.20 125.31 1dm3 s ILE 140 Ca 0.05 0.37 -0.29 0.00 -2.23 0.00 0.00 60.65 58.55 1dm3 s ILE 140 Cb -0.17 -3.55 -0.00 0.00 -1.58 0.00 0.00 42.46 37.16 1dm3 s ILE 140 CO 0.06 0.42 1.50 -0.62 -1.23 0.00 0.00 174.94 175.08 1dm3 s ASP 141 N 0.38 6.28 0.45 3.58 -1.08 -1.26 0.13 116.67 125.15 1dm3 s ASP 141 Ca 0.12 1.04 0.21 0.00 -0.52 0.00 0.00 52.55 53.40 1dm3 s ASP 141 Cb -0.12 -2.54 1.10 0.00 -1.46 0.00 0.00 42.92 39.90 1dm3 s ASP 141 CO 0.01 -1.44 1.95 0.71 0.52 0.00 0.00 175.17 176.92 1dm3 h THR 142 N 6.46 0.86 -0.34 1.71 1.35 -1.35 -1.87 112.91 119.73 1dm3 h THR 142 Ca -0.29 -0.85 -0.02 0.00 -0.55 0.00 0.00 66.41 64.69 1dm3 h THR 142 Cb 1.12 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 69.03 1dm3 h THR 142 CO 1.06 0.22 0.13 -0.03 -0.25 0.00 0.00 175.52 176.64 1dm3 h MET 143 N 0.00 0.52 0.51 4.72 -1.53 -1.87 0.35 114.93 117.63 1dm3 h MET 143 Ca -0.00 -0.10 -0.03 0.00 -3.44 0.00 0.00 59.70 56.13 1dm3 h MET 143 Cb 0.49 -0.08 0.01 0.00 -0.55 0.00 0.00 31.60 31.46 1dm3 h MET 143 CO 0.03 0.53 -0.25 0.82 0.14 0.00 0.00 176.91 178.18 1dm3 h ILE 144 N 0.40 0.19 -0.18 1.77 1.08 -1.81 -2.06 117.51 116.89 1dm3 h ILE 144 Ca 0.11 -0.50 0.01 0.00 -0.39 0.00 0.00 64.86 64.10 1dm3 h ILE 144 Cb 0.21 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.22 1dm3 h ILE 144 CO -0.01 0.04 0.08 0.50 -0.69 0.00 0.00 178.15 178.06 1dm3 h LYS 145 N -1.10 0.17 0.00 2.37 1.63 -1.41 -0.76 116.57 117.46 1dm3 h LYS 145 Ca -0.07 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 1dm3 h LYS 145 Cb 0.58 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1dm3 h LYS 145 CO 0.12 0.11 -1.24 -0.25 -3.45 0.00 0.00 179.45 174.74 1dm3 n ASP 146 N -5.03 0.66 -0.09 4.20 8.00 0.11 -4.12 116.55 120.28 1dm3 n ASP 146 Ca -0.03 0.26 -0.11 0.00 0.71 0.00 0.00 54.79 55.61 1dm3 n ASP 146 Cb 0.06 0.78 -0.12 0.00 -0.02 0.00 0.00 41.12 41.82 1dm3 n ASP 146 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dm3 n GLY 147 N 1.20 -0.63 0.00 0.44 0.00 -0.79 -4.86 105.19 100.55 1dm3 n GLY 147 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1dm3 n GLY 147 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dm3 n LEU 148 N -2.82 1.18 -4.61 0.99 4.77 -0.81 -4.97 117.00 110.73 1dm3 n LEU 148 Ca -0.32 -1.18 -0.34 0.00 -0.03 0.00 0.00 56.01 54.14 1dm3 n LEU 148 Cb 1.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.98 1dm3 n LEU 148 CO 0.30 0.29 -0.32 -0.89 -1.33 0.00 0.00 177.39 175.45 1dm3 s THR 149 N -0.42 4.17 0.29 -5.08 2.01 -0.36 -1.23 115.64 115.02 1dm3 s THR 149 Ca 0.00 -0.28 -0.29 0.00 0.31 0.00 0.00 61.69 61.43 1dm3 s THR 149 Cb 0.00 -2.79 -0.10 0.00 0.01 0.00 0.00 72.50 69.63 1dm3 s THR 149 CO 0.00 0.56 1.17 -0.62 -0.69 0.00 0.00 174.62 175.03 1dm3 s ASP 150 N -0.36 7.11 0.20 3.53 2.15 -0.01 -4.90 116.67 124.39 1dm3 s ASP 150 Ca 0.07 2.39 0.24 0.00 0.43 0.00 0.00 52.55 55.68 1dm3 s ASP 150 Cb -0.12 -2.63 0.42 0.00 -0.30 0.00 0.00 42.92 40.29 1dm3 s ASP 150 CO 0.02 -0.27 1.44 0.00 -0.17 0.00 0.00 175.17 176.20 1dm3 h ALA 151 N 3.75 0.74 0.07 3.66 0.00 -1.93 -1.82 119.26 123.72 1dm3 h ALA 151 Ca -0.47 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.13 1dm3 h ALA 151 Cb 1.22 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1dm3 h ALA 151 CO 0.67 0.00 -1.66 1.19 0.00 0.00 0.00 179.25 179.45 1dm3 n PHE 152 N -2.36 1.13 1.01 0.00 3.72 -1.26 -4.50 117.46 115.20 1dm3 n PHE 152 Ca 0.04 0.35 0.11 0.00 -0.05 0.00 0.00 57.45 57.89 1dm3 n PHE 152 Cb 0.46 -1.13 -0.03 0.00 -0.94 0.00 0.00 39.48 37.84 1dm3 n PHE 152 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1dm3 n TYR 153 N -3.95 0.00 -0.83 1.38 4.01 -1.25 -4.99 117.16 111.53 1dm3 n TYR 153 Ca -0.32 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.42 1dm3 n TYR 153 Cb 0.87 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.87 1dm3 n TYR 153 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1dm3 n GLY 154 N 1.47 0.49 3.85 2.72 0.00 -0.68 -5.01 105.19 108.03 1dm3 n GLY 154 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1dm3 n GLY 154 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1dm3 s TYR 155 N -2.40 2.59 0.77 1.61 -0.85 -1.26 -4.76 117.35 113.05 1dm3 s TYR 155 Ca 0.00 -0.54 -0.11 0.00 -0.52 0.00 0.00 57.07 55.90 1dm3 s TYR 155 Cb 0.00 -2.11 0.05 0.00 0.38 0.00 0.00 41.96 40.28 1dm3 s TYR 155 CO 0.00 -0.09 1.08 -1.58 -1.52 0.00 0.00 175.55 173.44 1dm3 s HIS 156 N -2.53 2.77 0.52 -3.49 5.65 -1.26 -0.83 115.29 116.12 1dm3 s HIS 156 Ca 0.46 1.41 0.23 0.00 0.25 0.00 0.00 55.06 57.41 1dm3 s HIS 156 Cb -0.02 -3.01 1.34 0.00 -1.18 0.00 0.00 32.58 29.71 1dm3 s HIS 156 CO 0.26 -1.67 2.00 0.52 -0.65 0.00 0.00 174.74 175.20 1dm3 h MET 157 N -1.03 0.05 -0.80 2.88 2.86 -1.54 -1.17 114.93 116.18 1dm3 h MET 157 Ca -0.45 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.22 1dm3 h MET 157 Cb 1.24 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.84 1dm3 h MET 157 CO 0.55 0.03 0.53 0.78 1.06 0.00 0.00 176.91 179.86 1dm3 h GLY 158 N 0.05 1.13 1.70 8.32 0.00 -1.91 -2.17 103.07 110.19 1dm3 h GLY 158 Ca 0.24 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 47.04 1dm3 h GLY 158 CO -0.01 0.35 -0.55 -0.84 0.00 0.00 0.00 176.54 175.49 1dm3 h THR 159 N 1.01 1.35 -0.07 4.70 2.02 -1.56 -1.18 112.91 119.19 1dm3 h THR 159 Ca 0.31 -1.84 -0.07 0.00 0.77 0.00 0.00 66.41 65.58 1dm3 h THR 159 Cb 0.00 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 1dm3 h THR 159 CO -0.09 0.55 -0.29 0.71 0.37 0.00 0.00 175.52 176.77 1dm3 h THR 160 N 0.25 1.24 -0.30 3.16 1.35 -1.37 -0.28 112.91 116.95 1dm3 h THR 160 Ca 0.00 -1.13 -0.12 0.00 -0.55 0.00 0.00 66.41 64.62 1dm3 h THR 160 Cb 1.04 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.96 1dm3 h THR 160 CO 0.09 0.33 -0.30 0.00 -0.25 0.00 0.00 175.52 175.39 1dm3 h ALA 161 N 1.59 0.93 -0.52 6.62 0.00 -0.72 -2.05 119.26 125.12 1dm3 h ALA 161 Ca 0.02 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1dm3 h ALA 161 Cb 0.58 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1dm3 h ALA 161 CO 0.04 0.62 -0.05 0.93 0.00 0.00 0.00 179.25 180.78 1dm3 h GLU 162 N 0.53 0.92 -0.56 0.00 4.39 0.04 0.15 114.58 120.05 1dm3 h GLU 162 Ca 0.07 -0.30 0.03 0.00 0.34 0.00 0.00 59.36 59.49 1dm3 h GLU 162 Cb 0.78 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.31 1dm3 h GLU 162 CO 0.06 0.94 0.34 -0.91 -1.16 0.00 0.00 179.01 178.29 1dm3 h ASN 163 N 0.84 0.55 -0.56 1.42 2.35 -1.00 -0.10 115.58 119.08 1dm3 h ASN 163 Ca 0.15 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.80 1dm3 h ASN 163 Cb 0.57 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 1dm3 h ASN 163 CO 0.03 0.39 -0.04 0.58 -1.65 0.00 0.00 177.43 176.74 1dm3 h VAL 164 N 0.67 1.27 -0.92 2.81 2.07 -0.64 -2.61 116.25 118.90 1dm3 h VAL 164 Ca 0.23 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1dm3 h VAL 164 Cb 0.02 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1dm3 h VAL 164 CO -0.10 0.42 0.52 0.00 0.02 0.00 0.00 177.57 178.44 1dm3 h ALA 165 N 0.95 1.17 0.10 1.67 0.00 0.03 -0.57 119.26 122.62 1dm3 h ALA 165 Ca 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1dm3 h ALA 165 Cb 0.60 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1dm3 h ALA 165 CO 0.04 0.66 -0.05 0.87 0.00 0.00 0.00 179.25 180.76 1dm3 h LYS 166 N 1.27 -0.13 -0.18 0.00 1.57 -0.94 0.24 116.57 118.39 1dm3 h LYS 166 Ca 0.32 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 1dm3 h LYS 166 Cb -0.01 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1dm3 h LYS 166 CO -0.06 0.24 0.01 0.37 -0.57 0.00 0.00 179.45 179.44 1dm3 h GLN 167 N -0.53 0.26 -0.13 3.15 4.15 -1.42 -1.34 115.11 119.25 1dm3 h GLN 167 Ca -0.01 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1dm3 h GLN 167 Cb 0.43 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1dm3 h GLN 167 CO 0.02 0.28 0.00 0.91 -1.93 0.00 0.00 178.83 178.12 1dm3 n TRP 168 N -4.39 0.15 -3.45 3.99 7.02 -0.23 -4.97 117.44 115.56 1dm3 n TRP 168 Ca -0.00 -0.08 -0.18 0.00 -1.02 0.00 0.00 57.50 56.22 1dm3 n TRP 168 Cb 0.17 -0.00 0.07 0.00 -2.42 0.00 0.00 31.31 29.13 1dm3 n TRP 168 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1dm3 n GLN 169 N 1.28 -4.92 -3.34 -0.99 6.02 0.40 -4.96 117.38 110.87 1dm3 n GLN 169 Ca 0.14 0.79 -0.40 0.00 -0.01 0.00 0.00 57.00 57.52 1dm3 n GLN 169 Cb 0.56 -5.64 -0.09 0.00 1.02 0.00 0.00 30.24 26.09 1dm3 n GLN 169 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1dm3 s LEU 170 N -6.19 4.26 0.82 1.08 1.43 0.55 -5.03 118.68 115.59 1dm3 s LEU 170 Ca 0.14 0.04 -0.12 0.00 -1.03 0.00 0.00 54.13 53.16 1dm3 s LEU 170 Cb -0.02 -2.45 0.08 0.00 0.03 0.00 0.00 46.19 43.83 1dm3 s LEU 170 CO 0.76 -0.33 1.15 -0.94 0.23 0.00 0.00 176.35 177.23 1dm3 s SER 171 N 1.70 4.42 0.21 2.29 1.04 -1.26 -4.82 113.70 117.27 1dm3 s SER 171 Ca 0.15 0.90 -0.10 0.00 0.48 0.00 0.00 55.95 57.38 1dm3 s SER 171 Cb -0.16 -1.46 0.26 0.00 0.10 0.00 0.00 66.02 64.76 1dm3 s SER 171 CO 0.11 -1.97 1.76 -0.09 0.98 0.00 0.00 173.24 174.03 1dm3 h ARG 172 N -1.10 0.44 -0.66 4.02 9.65 -1.95 -2.22 114.38 122.56 1dm3 h ARG 172 Ca -0.47 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.40 1dm3 h ARG 172 Cb 1.32 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 29.76 1dm3 h ARG 172 CO 0.64 0.29 0.43 -0.44 2.80 0.00 0.00 179.97 183.70 1dm3 h ASP 173 N 0.46 0.74 -0.30 -3.80 3.32 -1.95 -0.71 116.42 114.17 1dm3 h ASP 173 Ca 0.30 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 1dm3 h ASP 173 Cb 0.33 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1dm3 h ASP 173 CO -0.27 0.53 0.08 -0.08 -1.72 0.00 0.00 179.24 177.78 1dm3 h GLU 174 N 0.88 0.48 -0.58 3.56 4.81 -1.80 -1.97 114.58 119.96 1dm3 h GLU 174 Ca 0.25 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1dm3 h GLU 174 Cb -0.07 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 1dm3 h GLU 174 CO -0.07 0.54 0.38 1.96 -0.73 0.00 0.00 179.01 181.10 1dm3 h GLN 175 N 0.32 0.77 -0.55 1.92 4.20 -1.26 -1.25 115.11 119.25 1dm3 h GLN 175 Ca 0.10 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 1dm3 h GLN 175 Cb 0.27 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1dm3 h GLN 175 CO -0.00 0.51 -0.00 -0.44 -0.67 0.00 0.00 178.83 178.23 1dm3 h ASP 176 N 0.79 0.96 -0.67 1.46 3.32 -1.05 -1.39 116.42 119.85 1dm3 h ASP 176 Ca 0.21 -0.31 0.02 0.00 0.02 0.00 0.00 57.03 56.97 1dm3 h ASP 176 Cb -0.09 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.17 1dm3 h ASP 176 CO -0.05 1.04 0.43 0.00 -1.72 0.00 0.00 179.24 178.94 1dm3 h ALA 177 N 0.96 0.86 -0.62 3.45 0.00 -1.23 0.41 119.26 123.09 1dm3 h ALA 177 Ca 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1dm3 h ALA 177 Cb 0.54 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1dm3 h ALA 177 CO 0.03 0.24 0.32 0.35 0.00 0.00 0.00 179.25 180.19 1dm3 h PHE 178 N 0.87 0.87 0.12 0.00 3.04 -0.95 0.40 116.94 121.29 1dm3 h PHE 178 Ca 0.25 -0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.17 1dm3 h PHE 178 Cb -0.06 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.17 1dm3 h PHE 178 CO -0.03 0.64 -0.09 0.00 -2.02 0.00 0.00 178.31 176.80 1dm3 h ALA 179 N 1.15 -0.20 -0.88 2.41 0.00 -0.60 -0.29 119.26 120.84 1dm3 h ALA 179 Ca 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1dm3 h ALA 179 Cb 0.08 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1dm3 h ALA 179 CO -0.03 -0.63 0.51 0.28 0.00 0.00 0.00 179.25 179.38 1dm3 h VAL 180 N -0.22 1.25 -0.20 0.00 2.07 0.27 -1.79 116.25 117.62 1dm3 h VAL 180 Ca -0.00 -0.57 -0.08 0.00 0.82 0.00 0.00 66.70 66.86 1dm3 h VAL 180 Cb 0.20 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1dm3 h VAL 180 CO -0.01 0.27 -0.23 0.00 0.02 0.00 0.00 177.57 177.62 1dm3 h ALA 181 N 1.34 1.24 -0.04 1.67 0.00 -0.65 -0.91 119.26 121.91 1dm3 h ALA 181 Ca 0.31 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1dm3 h ALA 181 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1dm3 h ALA 181 CO -0.06 0.50 -0.03 1.03 0.00 0.00 0.00 179.25 180.70 1dm3 h SER 182 N 0.32 -0.08 -0.37 0.00 0.87 -0.43 0.38 113.55 114.25 1dm3 h SER 182 Ca 0.05 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1dm3 h SER 182 Cb 0.59 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 1dm3 h SER 182 CO 0.04 -0.04 0.19 1.56 -0.53 0.00 0.00 176.83 178.05 1dm3 h GLN 183 N -0.03 0.52 -0.26 2.24 1.08 -0.91 -1.91 115.11 115.84 1dm3 h GLN 183 Ca 0.03 -0.07 -0.13 0.00 -1.45 0.00 0.00 58.65 57.03 1dm3 h GLN 183 Cb 0.07 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1dm3 h GLN 183 CO -0.06 0.45 -0.38 -0.91 -0.95 0.00 0.00 178.83 176.99 1dm3 h ASN 184 N 0.46 0.62 -0.32 1.46 -0.26 -1.02 -0.04 115.58 116.49 1dm3 h ASN 184 Ca 0.13 -0.27 -0.05 0.00 -0.56 0.00 0.00 56.30 55.55 1dm3 h ASN 184 Cb 0.09 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.17 1dm3 h ASN 184 CO -0.02 0.94 0.01 0.11 -1.06 0.00 0.00 177.43 177.41 1dm3 h LYS 185 N 0.49 0.56 -0.15 0.81 1.57 -0.84 -2.07 116.57 116.94 1dm3 h LYS 185 Ca 0.05 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1dm3 h LYS 185 Cb 0.88 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1dm3 h LYS 185 CO 0.08 0.68 0.09 0.00 -0.57 0.00 0.00 179.45 179.73 1dm3 h ALA 186 N 0.85 0.20 -0.42 3.86 0.00 -1.09 -1.32 119.26 121.34 1dm3 h ALA 186 Ca 0.09 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1dm3 h ALA 186 Cb 0.42 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1dm3 h ALA 186 CO 0.01 -0.29 0.12 1.49 0.00 0.00 0.00 179.25 180.59 1dm3 h GLU 187 N 0.17 0.26 -0.25 0.00 4.81 -1.03 0.27 114.58 118.80 1dm3 h GLU 187 Ca 0.05 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 1dm3 h GLU 187 Cb 0.04 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1dm3 h GLU 187 CO -0.01 0.17 -0.25 0.00 -0.73 0.00 0.00 179.01 178.19 1dm3 h ALA 188 N 1.29 1.10 0.00 2.92 0.00 -1.27 0.17 119.26 123.47 1dm3 h ALA 188 Ca 0.20 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 1dm3 h ALA 188 Cb 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1dm3 h ALA 188 CO -0.23 0.56 -0.77 0.00 0.00 0.00 0.00 179.25 178.81 1dm3 h ALA 189 N 1.31 0.54 0.15 0.00 0.00 -0.79 0.98 119.26 121.45 1dm3 h ALA 189 Ca 0.06 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1dm3 h ALA 189 Cb 0.66 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1dm3 h ALA 189 CO 0.05 0.97 -0.07 0.37 0.00 0.00 0.00 179.25 180.56 1dm3 h GLN 190 N 0.00 -0.19 -0.91 0.00 4.15 -0.13 0.42 115.11 118.45 1dm3 h GLN 190 Ca -0.01 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.51 1dm3 h GLN 190 Cb 1.55 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 29.21 1dm3 h GLN 190 CO 0.10 0.19 0.59 0.87 -1.93 0.00 0.00 178.83 178.65 1dm3 h LYS 191 N -0.62 0.93 0.00 1.69 1.57 -0.52 -1.89 116.57 117.74 1dm3 h LYS 191 Ca -0.02 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1dm3 h LYS 191 Cb 0.47 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1dm3 h LYS 191 CO 0.03 0.61 0.00 -0.25 -0.57 0.00 0.00 179.45 179.28 1dm3 n ASP 192 N -4.52 0.26 0.00 0.86 8.00 0.33 -4.91 116.55 116.56 1dm3 n ASP 192 Ca 0.15 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.20 1dm3 n ASP 192 Cb 0.27 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1dm3 n ASP 192 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dm3 n GLY 193 N 0.55 0.61 0.00 0.44 0.00 -0.71 -4.96 105.19 101.12 1dm3 n GLY 193 Ca 0.04 -0.67 0.10 0.00 0.00 0.00 0.00 46.02 45.49 1dm3 n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dm3 n ARG 194 N -2.64 0.04 0.00 1.61 1.74 0.10 -2.40 116.66 115.12 1dm3 n ARG 194 Ca 0.00 0.13 0.11 0.00 -0.77 0.00 0.00 57.85 57.32 1dm3 n ARG 194 Cb 0.00 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.06 1dm3 n ARG 194 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1dm3 n PHE 195 N -1.48 0.00 -0.22 -1.55 3.72 -1.26 -4.57 117.46 112.11 1dm3 n PHE 195 Ca 0.06 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.38 1dm3 n PHE 195 Cb 0.24 -0.08 0.06 0.00 -0.94 0.00 0.00 39.48 38.76 1dm3 n PHE 195 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1dm3 h LYS 196 N 1.06 1.07 0.24 -1.08 3.64 -1.82 -2.62 116.57 117.07 1dm3 h LYS 196 Ca 0.00 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.08 1dm3 h LYS 196 Cb 0.58 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1dm3 h LYS 196 CO 0.00 0.98 -0.11 -0.44 -2.27 0.00 0.00 179.45 177.61 1dm3 h ASP 197 N 1.00 -0.27 -0.41 4.20 3.32 -1.80 -3.18 116.42 119.28 1dm3 h ASP 197 Ca 0.20 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 1dm3 h ASP 197 Cb 0.44 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1dm3 h ASP 197 CO 0.01 -0.16 -0.08 1.05 -1.72 0.00 0.00 179.24 178.34 1dm3 h GLU 198 N -0.35 0.77 -6.72 3.56 4.11 -1.84 -3.45 114.58 110.66 1dm3 h GLU 198 Ca -0.03 -0.29 -0.50 0.00 0.07 0.00 0.00 59.36 58.61 1dm3 h GLU 198 Cb 0.27 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1dm3 h GLU 198 CO 0.05 0.90 0.41 0.42 0.07 0.00 0.00 179.01 180.86 1dm3 s ILE 199 N -4.82 3.94 -0.20 -1.06 1.01 -0.99 -0.61 121.20 118.47 1dm3 s ILE 199 Ca -0.12 1.83 -0.05 0.00 0.00 0.00 0.00 60.65 62.31 1dm3 s ILE 199 Cb 0.10 -4.17 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 1dm3 s ILE 199 CO 0.82 0.39 -0.01 0.54 0.00 0.00 0.00 174.94 176.67 1dm3 s VAL 200 N -0.79 3.86 0.42 2.92 0.11 0.21 -4.86 120.40 122.26 1dm3 s VAL 200 Ca 0.45 -0.35 -0.25 0.00 -2.93 0.00 0.00 61.98 58.90 1dm3 s VAL 200 Cb -0.28 -2.74 -0.10 0.00 -1.53 0.00 0.00 36.38 31.73 1dm3 s VAL 200 CO 0.35 0.43 1.14 -2.65 -3.33 0.00 0.00 175.10 171.04 1dm3 n PRO 201 N 4.24 1.61 -4.71 1.54 -0.02 -1.26 -4.31 135.00 132.09 1dm3 n PRO 201 Ca -0.17 0.58 -0.33 0.00 -2.02 0.00 0.00 63.50 61.55 1dm3 n PRO 201 Cb 0.52 -2.20 -0.15 0.00 -0.02 0.00 0.00 33.50 31.64 1dm3 n PRO 201 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1dm3 s PHE 202 N -1.23 2.75 -0.39 6.00 5.36 -0.41 -4.95 117.98 125.11 1dm3 s PHE 202 Ca 0.62 -0.92 -0.19 0.00 -0.96 0.00 0.00 56.93 55.48 1dm3 s PHE 202 Cb -0.54 -1.85 0.01 0.00 -0.34 0.00 0.00 43.02 40.31 1dm3 s PHE 202 CO 0.57 -0.39 0.56 0.42 -1.46 0.00 0.00 175.22 174.92 1dm3 s ILE 203 N 0.60 4.95 -0.47 3.12 1.01 -1.26 -0.02 121.20 129.13 1dm3 s ILE 203 Ca -0.09 0.16 -0.25 0.00 0.00 0.00 0.00 60.65 60.47 1dm3 s ILE 203 Cb -0.16 -4.07 0.03 0.00 0.01 0.00 0.00 42.46 38.27 1dm3 s ILE 203 CO 0.03 -0.40 0.89 -0.69 0.00 0.00 0.00 174.94 174.78 1dm3 s VAL 204 N 2.53 4.51 -0.07 2.92 1.01 0.11 -4.92 120.40 126.48 1dm3 s VAL 204 Ca 0.19 0.63 -0.30 0.00 0.00 0.00 0.00 61.98 62.50 1dm3 s VAL 204 Cb -0.15 -4.42 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 1dm3 s VAL 204 CO 0.15 -0.83 1.43 -0.54 0.00 0.00 0.00 175.10 175.31 1dm3 s LYS 205 N 3.66 4.24 0.00 2.72 -0.14 -1.26 -1.76 119.74 127.19 1dm3 s LYS 205 Ca 0.35 1.93 0.00 0.00 -1.36 0.00 0.00 55.97 56.89 1dm3 s LYS 205 Cb -0.11 -3.76 0.00 0.00 -1.68 0.00 0.00 37.83 32.29 1dm3 s LYS 205 CO 0.25 -0.69 0.00 0.41 -0.76 0.00 0.00 175.35 174.56 1dm3 n GLY 206 N 3.77 1.10 0.90 -3.33 0.00 -1.21 -4.96 105.19 101.46 1dm3 n GLY 206 Ca 0.15 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1dm3 n GLY 206 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1dm3 n ARG 207 N -0.76 0.00 -1.71 1.61 0.00 -1.26 -4.73 116.66 109.80 1dm3 n ARG 207 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.54 1dm3 n ARG 207 Cb 0.00 -0.42 0.05 0.00 -0.00 0.00 0.00 32.46 32.09 1dm3 n ARG 207 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1dm3 n LYS 208 N -2.35 3.10 0.00 2.89 5.02 -1.26 -4.96 118.16 120.59 1dm3 n LYS 208 Ca 0.00 -3.72 0.00 0.00 -2.02 0.00 0.00 58.31 52.57 1dm3 n LYS 208 Cb 0.20 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 32.93 1dm3 n LYS 208 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dm3 n GLY 209 N -0.78 3.90 3.77 0.72 0.00 -1.26 -5.07 105.19 106.45 1dm3 n GLY 209 Ca 0.54 -1.30 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 1dm3 n GLY 209 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dm3 s ASP 210 N 0.00 7.50 -0.14 1.61 1.01 -1.26 -3.29 116.67 122.10 1dm3 s ASP 210 Ca 0.00 1.81 0.03 0.00 0.71 0.00 0.00 52.55 55.10 1dm3 s ASP 210 Cb 0.00 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.38 1dm3 s ASP 210 CO 0.00 0.15 -0.22 -0.63 0.21 0.00 0.00 175.17 174.68 1dm3 s ILE 211 N -1.23 2.11 -0.19 0.77 1.01 -0.72 -4.92 121.20 118.03 1dm3 s ILE 211 Ca 0.40 -0.97 -0.18 0.00 0.00 0.00 0.00 60.65 59.91 1dm3 s ILE 211 Cb -0.24 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 1dm3 s ILE 211 CO 0.29 0.55 0.47 -0.89 0.00 0.00 0.00 174.94 175.36 1dm3 s THR 212 N 0.74 5.15 -0.30 2.92 2.01 -1.26 0.06 115.64 124.95 1dm3 s THR 212 Ca -0.09 0.87 -0.06 0.00 0.31 0.00 0.00 61.69 62.72 1dm3 s THR 212 Cb -0.16 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.57 1dm3 s THR 212 CO -0.00 0.22 0.08 -0.69 -0.69 0.00 0.00 174.62 173.53 1dm3 s VAL 213 N 1.41 3.84 -0.01 3.82 1.01 0.98 -4.93 120.40 126.51 1dm3 s VAL 213 Ca 0.23 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1dm3 s VAL 213 Cb -0.15 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.22 1dm3 s VAL 213 CO 0.09 0.01 0.76 -0.90 0.00 0.00 0.00 175.10 175.07 1dm3 n ASP 214 N 4.84 0.62 -4.06 3.32 5.75 -1.26 -1.28 116.55 124.47 1dm3 n ASP 214 Ca -0.14 -1.59 -0.23 0.00 -0.01 0.00 0.00 54.79 52.82 1dm3 n ASP 214 Cb 0.47 -0.08 -0.16 0.00 -1.03 0.00 0.00 41.12 40.33 1dm3 n ASP 214 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1dm3 s ALA 215 N -0.45 1.14 -0.23 2.12 0.00 -1.26 -4.83 121.76 118.24 1dm3 s ALA 215 Ca 0.03 -0.50 -0.28 0.00 0.00 0.00 0.00 51.96 51.21 1dm3 s ALA 215 Cb 0.02 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1dm3 s ALA 215 CO 0.00 0.21 1.99 -0.51 0.00 0.00 0.00 175.76 177.45 1dm3 s ASP 216 N 0.07 5.81 0.05 0.00 1.01 -1.26 -4.69 116.67 117.66 1dm3 s ASP 216 Ca -0.02 1.76 0.24 0.00 0.71 0.00 0.00 52.55 55.24 1dm3 s ASP 216 Cb -0.09 -2.52 0.38 0.00 1.01 0.00 0.00 42.92 41.69 1dm3 s ASP 216 CO 0.01 -1.70 1.32 -1.84 0.21 0.00 0.00 175.17 173.17 1dm3 n GLU 217 N 8.39 0.16 0.21 8.23 0.28 -1.07 -3.78 120.64 133.06 1dm3 n GLU 217 Ca 0.25 0.03 0.11 0.00 -0.16 0.00 0.00 57.16 57.40 1dm3 n GLU 217 Cb 0.45 -1.59 0.15 0.00 1.43 0.00 0.00 31.44 31.89 1dm3 n GLU 217 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 1dm3 h TYR 218 N 0.00 0.00 -2.51 -1.84 3.20 -1.81 -3.46 116.97 110.55 1dm3 h TYR 218 Ca 0.00 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 61.34 1dm3 h TYR 218 Cb 0.63 0.00 0.04 0.00 1.54 0.00 0.00 36.73 38.94 1dm3 h TYR 218 CO 0.00 0.04 1.13 0.42 -1.64 0.00 0.00 178.16 178.11 1dm3 s ILE 219 N -3.20 2.57 -0.06 1.81 1.01 -0.92 -4.84 121.20 117.57 1dm3 s ILE 219 Ca 0.06 0.03 -0.17 0.00 0.00 0.00 0.00 60.65 60.57 1dm3 s ILE 219 Cb 0.05 -3.02 -0.05 0.00 0.01 0.00 0.00 42.46 39.46 1dm3 s ILE 219 CO 0.68 -0.00 0.45 0.00 0.00 0.00 0.00 174.94 176.07 1dm3 s ARG 220 N 2.95 4.19 -0.11 2.79 1.70 -1.26 -5.05 118.95 124.15 1dm3 s ARG 220 Ca 0.82 0.45 -0.22 0.00 -0.47 0.00 0.00 55.73 56.31 1dm3 s ARG 220 Cb -0.46 -3.35 -0.03 0.00 -0.57 0.00 0.00 34.95 30.54 1dm3 s ARG 220 CO 0.37 0.38 0.65 -1.01 -1.08 0.00 0.00 175.30 174.61 1dm3 s HIS 221 N -0.10 3.51 -0.92 5.89 3.76 -1.26 -4.13 115.29 122.05 1dm3 s HIS 221 Ca 0.25 1.12 -0.03 0.00 -0.15 0.00 0.00 55.06 56.24 1dm3 s HIS 221 Cb -0.16 -2.77 0.00 0.00 1.11 0.00 0.00 32.58 30.76 1dm3 s HIS 221 CO 0.12 0.02 0.79 0.41 -0.85 0.00 0.00 174.74 175.23 1dm3 n GLY 222 N 3.31 -0.13 3.75 -2.22 0.00 -1.26 -4.97 105.19 103.67 1dm3 n GLY 222 Ca -0.02 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1dm3 n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dm3 s ALA 223 N -3.24 3.71 0.13 4.61 0.00 -1.26 -4.99 121.76 120.72 1dm3 s ALA 223 Ca 0.22 1.52 0.08 0.00 0.00 0.00 0.00 51.96 53.78 1dm3 s ALA 223 Cb -0.10 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 1dm3 s ALA 223 CO 0.52 -0.94 -0.12 0.95 0.00 0.00 0.00 175.76 176.18 1dm3 s THR 224 N -0.10 3.19 0.12 0.00 -4.23 -1.26 -4.97 115.64 108.39 1dm3 s THR 224 Ca 0.62 -1.45 -0.22 0.00 -1.18 0.00 0.00 61.69 59.46 1dm3 s THR 224 Cb -0.46 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 1dm3 s THR 224 CO 0.48 0.04 1.69 0.25 -0.54 0.00 0.00 174.62 176.54 1dm3 h LEU 225 N 3.41 -0.29 -0.54 4.79 6.46 -1.95 -3.00 115.31 124.19 1dm3 h LEU 225 Ca -0.48 0.06 0.11 0.00 -0.12 0.00 0.00 57.88 57.45 1dm3 h LEU 225 Cb 1.18 0.15 -0.10 0.00 -0.73 0.00 0.00 40.66 41.16 1dm3 h LEU 225 CO 0.51 -0.13 -0.07 0.44 -0.62 0.00 0.00 178.44 178.58 1dm3 h ASP 226 N -0.10 -0.37 0.86 1.25 3.32 -1.98 0.10 116.42 119.51 1dm3 h ASP 226 Ca 0.08 0.15 -0.09 0.00 0.02 0.00 0.00 57.03 57.19 1dm3 h ASP 226 Cb 0.22 0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1dm3 h ASP 226 CO -0.18 -0.14 -0.43 0.77 -1.72 0.00 0.00 179.24 177.54 1dm3 h SER 227 N 0.06 0.00 -0.22 6.45 4.64 -1.96 -1.86 113.55 120.65 1dm3 h SER 227 Ca 0.27 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.47 1dm3 h SER 227 Cb 0.42 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1dm3 h SER 227 CO -0.51 0.43 -0.34 -0.03 -0.87 0.00 0.00 176.83 175.51 1dm3 h MET 228 N 0.00 0.63 0.00 4.77 -1.53 -1.24 -3.20 114.93 114.35 1dm3 h MET 228 Ca -0.00 -0.38 -0.03 0.00 -3.44 0.00 0.00 59.70 55.85 1dm3 h MET 228 Cb 0.98 0.03 -0.00 0.00 -0.55 0.00 0.00 31.60 32.06 1dm3 h MET 228 CO 0.06 0.99 -0.16 0.00 0.14 0.00 0.00 176.91 177.93 1dm3 h ALA 229 N 0.63 1.71 -0.00 0.39 0.00 -0.55 -2.58 119.26 118.86 1dm3 h ALA 229 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1dm3 h ALA 229 Cb 0.93 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1dm3 h ALA 229 CO 0.08 0.20 -0.07 1.17 0.00 0.00 0.00 179.25 180.63 1dm3 n LYS 230 N -4.31 0.12 -2.44 0.00 0.00 -0.72 -4.90 118.16 105.91 1dm3 n LYS 230 Ca -0.02 -0.02 -0.35 0.00 0.00 0.00 0.00 58.31 57.92 1dm3 n LYS 230 Cb 0.23 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 33.74 1dm3 n LYS 230 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1dm3 s LEU 231 N -2.89 3.87 0.24 3.14 1.43 -0.97 -5.03 118.68 118.47 1dm3 s LEU 231 Ca 0.17 2.04 -0.15 0.00 -1.03 0.00 0.00 54.13 55.16 1dm3 s LEU 231 Cb 0.19 -4.50 -0.08 0.00 0.03 0.00 0.00 46.19 41.83 1dm3 s LEU 231 CO 0.54 -0.88 0.67 -0.13 0.23 0.00 0.00 176.35 176.77 1dm3 s ARG 232 N -3.12 4.05 0.53 1.70 0.52 -1.26 -5.03 118.95 116.33 1dm3 s ARG 232 Ca 0.67 0.64 -0.21 0.00 -0.52 0.00 0.00 55.73 56.31 1dm3 s ARG 232 Cb -0.20 -2.70 -0.07 0.00 0.52 0.00 0.00 34.95 32.49 1dm3 s ARG 232 CO 0.24 0.32 1.00 -2.30 0.02 0.00 0.00 175.30 174.58 1dm3 n PRO 233 N 0.25 1.15 -0.01 3.54 -0.02 -1.26 -4.47 135.00 134.17 1dm3 n PRO 233 Ca -0.01 0.43 0.07 0.00 -2.02 0.00 0.00 63.50 61.97 1dm3 n PRO 233 Cb 0.52 -2.15 -0.10 0.00 -0.02 0.00 0.00 33.50 31.75 1dm3 n PRO 233 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dm3 n ALA 234 N -1.18 2.67 -0.01 3.55 0.00 -0.82 -4.79 120.51 119.94 1dm3 n ALA 234 Ca 0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 53.44 53.21 1dm3 n ALA 234 Cb 0.44 -0.47 -0.01 0.00 0.00 0.00 0.00 19.45 19.41 1dm3 n ALA 234 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1dm3 n PHE 235 N -1.88 0.00 -3.81 0.00 3.72 -1.26 -4.92 117.46 109.31 1dm3 n PHE 235 Ca -0.02 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.02 1dm3 n PHE 235 Cb 0.33 -0.08 -0.12 0.00 -0.94 0.00 0.00 39.48 38.67 1dm3 n PHE 235 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1dm3 s ASP 236 N -4.11 5.16 0.44 4.37 -1.08 -1.26 -4.94 116.67 115.26 1dm3 s ASP 236 Ca -0.03 -1.60 0.35 0.00 -0.52 0.00 0.00 52.55 50.76 1dm3 s ASP 236 Cb 0.01 -1.80 1.45 0.00 -1.46 0.00 0.00 42.92 41.11 1dm3 s ASP 236 CO 0.05 -0.41 1.45 0.29 0.52 0.00 0.00 175.17 177.07 1dm3 n LYS 237 N 4.66 -0.02 -2.28 4.34 4.01 -1.26 0.18 118.16 127.77 1dm3 n LYS 237 Ca -0.08 1.12 -0.24 0.00 -0.51 0.00 0.00 58.31 58.60 1dm3 n LYS 237 Cb 0.43 -2.31 0.01 0.00 -0.51 0.00 0.00 35.03 32.65 1dm3 n LYS 237 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1dm3 n GLU 238 N -4.36 3.38 0.00 1.97 0.28 -1.26 -4.73 120.64 115.93 1dm3 n GLU 238 Ca 0.39 -4.27 0.00 0.00 -0.16 0.00 0.00 57.16 53.12 1dm3 n GLU 238 Cb 1.57 -2.21 0.00 0.00 1.43 0.00 0.00 31.44 32.24 1dm3 n GLU 238 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1dm3 n GLY 239 N -0.58 1.46 0.00 -1.84 0.00 0.46 -5.09 105.19 99.61 1dm3 n GLY 239 Ca 0.39 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1dm3 n GLY 239 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1dm3 n THR 240 N 0.00 0.00 -3.13 2.61 5.66 -1.26 -4.89 114.28 113.27 1dm3 n THR 240 Ca 0.00 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.61 1dm3 n THR 240 Cb 0.00 0.11 -0.05 0.00 -1.55 0.00 0.00 70.33 68.84 1dm3 n THR 240 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1dm3 s VAL 241 N 0.00 4.94 0.37 1.08 1.01 -1.26 -4.80 120.40 121.74 1dm3 s VAL 241 Ca 0.00 1.34 0.04 0.00 0.00 0.00 0.00 61.98 63.37 1dm3 s VAL 241 Cb 0.00 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1dm3 s VAL 241 CO 0.00 0.36 0.16 0.42 0.00 0.00 0.00 175.10 176.04 1dm3 s THR 242 N 0.16 0.45 0.45 3.92 -4.23 -1.26 -1.94 115.64 113.19 1dm3 s THR 242 Ca 0.34 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.98 1dm3 s THR 242 Cb -0.18 -2.41 0.20 0.00 1.34 0.00 0.00 72.50 71.45 1dm3 s THR 242 CO 0.18 0.00 2.02 0.00 -0.54 0.00 0.00 174.62 176.28 1dm3 h ALA 243 N 1.93 1.74 -0.21 3.99 0.00 -1.91 -2.83 119.26 121.99 1dm3 h ALA 243 Ca -0.33 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 1dm3 h ALA 243 Cb 1.26 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1dm3 h ALA 243 CO 0.52 0.19 -0.18 0.78 0.00 0.00 0.00 179.25 180.56 1dm3 h GLY 244 N 0.45 0.53 -2.67 0.00 0.00 -1.93 -3.33 103.07 96.13 1dm3 h GLY 244 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1dm3 h GLY 244 CO 0.02 0.48 0.00 1.16 0.00 0.00 0.00 176.54 178.20 1dm3 n ASN 245 N -4.46 4.10 -4.53 0.19 0.23 -1.09 -4.88 115.26 104.83 1dm3 n ASN 245 Ca -0.05 -2.46 -0.24 0.00 -0.53 0.00 0.00 54.58 51.30 1dm3 n ASN 245 Cb 0.39 -0.55 -0.09 0.00 -2.08 0.00 0.00 39.78 37.45 1dm3 n ASN 245 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1dm3 s ALA 246 N -1.96 2.88 0.91 -2.53 0.00 -1.09 -0.33 121.76 119.64 1dm3 s ALA 246 Ca 0.41 -1.76 -0.12 0.00 0.00 0.00 0.00 51.96 50.49 1dm3 s ALA 246 Cb 0.28 -0.47 0.13 0.00 0.00 0.00 0.00 23.12 23.07 1dm3 s ALA 246 CO 0.17 0.30 1.12 -1.54 0.00 0.00 0.00 175.76 175.81 1dm3 s SER 247 N -3.44 3.52 0.00 0.00 1.04 -0.41 -4.76 113.70 109.65 1dm3 s SER 247 Ca 0.29 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.82 1dm3 s SER 247 Cb -0.06 -1.72 0.00 0.00 0.10 0.00 0.00 66.02 64.34 1dm3 s SER 247 CO 0.16 -2.56 0.00 0.61 0.98 0.00 0.00 173.24 172.44 1dm3 n GLY 248 N -1.93 2.35 3.31 7.32 0.00 -1.26 -4.97 105.19 110.00 1dm3 n GLY 248 Ca 0.06 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 1dm3 n GLY 248 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dm3 s LEU 249 N 0.00 2.86 0.27 0.99 1.43 -1.26 -3.87 118.68 119.10 1dm3 s LEU 249 Ca 0.00 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.68 1dm3 s LEU 249 Cb 0.00 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 1dm3 s LEU 249 CO 0.00 -0.00 0.34 0.20 0.23 0.00 0.00 176.35 177.11 1dm3 s ASN 250 N 1.38 0.52 -0.02 2.29 -0.87 -1.26 -2.68 114.94 114.31 1dm3 s ASN 250 Ca 0.05 -1.35 0.04 0.00 -1.57 0.00 0.00 52.86 50.02 1dm3 s ASN 250 Cb -0.14 0.54 -0.01 0.00 -0.02 0.00 0.00 41.25 41.62 1dm3 s ASN 250 CO -0.03 -1.08 -0.12 -1.81 -2.57 0.00 0.00 177.10 171.49 1dm3 s ASP 251 N -3.18 1.47 0.00 -1.22 1.01 -0.86 -3.48 116.67 110.41 1dm3 s ASP 251 Ca 0.33 -0.23 0.00 0.00 0.71 0.00 0.00 52.55 53.36 1dm3 s ASP 251 Cb 0.02 -0.24 0.00 0.00 1.01 0.00 0.00 42.92 43.71 1dm3 s ASP 251 CO 0.16 0.13 0.00 0.61 0.21 0.00 0.00 175.17 176.28 1dm3 n GLY 252 N 2.93 -0.49 3.17 0.21 0.00 -0.55 0.95 105.19 111.40 1dm3 n GLY 252 Ca -0.15 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 1dm3 n GLY 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dm3 s ALA 253 N -2.00 -0.15 -0.27 4.61 0.00 -1.26 -0.76 121.76 121.92 1dm3 s ALA 253 Ca 0.00 -0.56 -0.23 0.00 0.00 0.00 0.00 51.96 51.17 1dm3 s ALA 253 Cb 0.00 0.35 0.08 0.00 0.00 0.00 0.00 23.12 23.55 1dm3 s ALA 253 CO 0.00 -0.41 0.78 0.00 0.00 0.00 0.00 175.76 176.13 1dm3 s ALA 254 N -3.20 -1.86 0.35 0.00 0.00 0.20 -0.71 121.76 116.54 1dm3 s ALA 254 Ca -0.00 2.09 -0.06 0.00 0.00 0.00 0.00 51.96 53.99 1dm3 s ALA 254 Cb 0.02 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.86 1dm3 s ALA 254 CO -0.07 -0.33 0.55 0.00 0.00 0.00 0.00 175.76 175.91 1dm3 s ALA 255 N 0.66 0.36 0.01 0.00 0.00 0.40 -0.43 121.76 122.76 1dm3 s ALA 255 Ca -0.02 -1.30 -0.02 0.00 0.00 0.00 0.00 51.96 50.62 1dm3 s ALA 255 Cb -0.05 1.04 -0.01 0.00 0.00 0.00 0.00 23.12 24.10 1dm3 s ALA 255 CO -0.05 -0.84 0.02 0.00 0.00 0.00 0.00 175.76 174.88 1dm3 s ALA 256 N -2.93 -0.01 -0.17 0.00 0.00 0.14 -1.88 121.76 116.91 1dm3 s ALA 256 Ca 0.26 -0.35 -0.06 0.00 0.00 0.00 0.00 51.96 51.81 1dm3 s ALA 256 Cb -0.02 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1dm3 s ALA 256 CO 0.18 -0.14 0.04 -1.17 0.00 0.00 0.00 175.76 174.67 1dm3 s LEU 257 N -1.11 3.68 0.16 0.00 0.20 0.11 -0.93 118.68 120.78 1dm3 s LEU 257 Ca -0.12 0.03 0.10 0.00 0.69 0.00 0.00 54.13 54.83 1dm3 s LEU 257 Cb -0.07 -1.92 -0.04 0.00 -0.43 0.00 0.00 46.19 43.73 1dm3 s LEU 257 CO -0.00 0.18 -0.16 -0.76 -0.29 0.00 0.00 176.35 175.31 1dm3 s LEU 258 N 0.35 2.73 0.00 -0.68 2.01 0.47 0.09 118.68 123.66 1dm3 s LEU 258 Ca 0.01 -0.65 -0.29 0.00 0.01 0.00 0.00 54.13 53.21 1dm3 s LEU 258 Cb -0.13 -1.49 0.10 0.00 0.01 0.00 0.00 46.19 44.69 1dm3 s LEU 258 CO 0.01 0.13 1.08 0.00 1.01 0.00 0.00 176.35 178.58 1dm3 s MET 259 N -2.54 0.71 0.70 1.70 0.23 -1.06 -2.06 119.30 116.98 1dm3 s MET 259 Ca 0.21 -0.35 -0.16 0.00 -1.03 0.00 0.00 55.69 54.37 1dm3 s MET 259 Cb -0.09 0.27 0.02 0.00 -1.53 0.00 0.00 34.83 33.51 1dm3 s MET 259 CO 0.12 -0.32 1.20 -1.54 -2.03 0.00 0.00 175.02 172.45 1dm3 s SER 260 N -2.69 4.42 0.27 -1.18 1.04 -1.26 -0.45 113.70 113.85 1dm3 s SER 260 Ca 0.10 2.34 -0.03 0.00 0.48 0.00 0.00 55.95 58.84 1dm3 s SER 260 Cb 0.00 -2.59 0.39 0.00 0.10 0.00 0.00 66.02 63.93 1dm3 s SER 260 CO -0.03 -2.11 1.91 -0.08 0.98 0.00 0.00 173.24 173.91 1dm3 h GLU 261 N -0.09 1.17 -0.52 4.02 4.81 -0.97 -1.08 114.58 121.92 1dm3 h GLU 261 Ca -0.48 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 58.61 1dm3 h GLU 261 Cb 1.29 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 1dm3 h GLU 261 CO 0.51 0.77 0.05 0.00 -0.73 0.00 0.00 179.01 179.61 1dm3 h ALA 262 N 1.44 1.12 -0.21 2.92 0.00 -1.91 0.80 119.26 123.42 1dm3 h ALA 262 Ca 0.39 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1dm3 h ALA 262 Cb 0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1dm3 h ALA 262 CO -0.13 0.57 -0.14 1.49 0.00 0.00 0.00 179.25 181.04 1dm3 h GLU 263 N 0.79 0.47 -0.76 0.00 4.57 -1.71 -1.25 114.58 116.69 1dm3 h GLU 263 Ca 0.16 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1dm3 h GLU 263 Cb 0.40 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.95 1dm3 h GLU 263 CO 0.01 0.78 0.46 0.00 -1.18 0.00 0.00 179.01 179.08 1dm3 h ALA 264 N 0.68 0.97 -0.36 2.92 0.00 -0.98 -2.11 119.26 120.37 1dm3 h ALA 264 Ca 0.04 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1dm3 h ALA 264 Cb 0.66 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1dm3 h ALA 264 CO 0.04 0.44 0.09 1.03 0.00 0.00 0.00 179.25 180.85 1dm3 h SER 265 N 1.04 0.06 -0.56 0.00 0.87 -0.56 -0.12 113.55 114.28 1dm3 h SER 265 Ca 0.27 0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.94 1dm3 h SER 265 Cb -0.04 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 1dm3 h SER 265 CO -0.05 0.07 0.37 0.03 -0.53 0.00 0.00 176.83 176.72 1dm3 h ARG 266 N 0.23 0.55 -0.00 2.24 3.08 -0.87 -0.38 114.38 119.21 1dm3 h ARG 266 Ca 0.17 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1dm3 h ARG 266 Cb 0.18 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1dm3 h ARG 266 CO -0.21 0.36 -0.29 0.54 -1.07 0.00 0.00 179.97 179.31 1dm3 n ARG 267 N -4.47 0.22 -1.41 0.04 1.74 -0.83 -4.92 116.66 107.03 1dm3 n ARG 267 Ca 0.07 -0.10 -0.03 0.00 -0.77 0.00 0.00 57.85 57.02 1dm3 n ARG 267 Cb 0.21 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.14 1dm3 n ARG 267 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dm3 n GLY 268 N 1.44 0.49 3.75 -0.13 0.00 -0.15 -5.01 105.19 105.58 1dm3 n GLY 268 Ca 0.08 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 1dm3 n GLY 268 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dm3 s ILE 269 N -2.12 4.76 -0.63 -0.61 1.01 -0.57 -5.00 121.20 118.04 1dm3 s ILE 269 Ca 0.00 1.59 -0.14 0.00 0.00 0.00 0.00 60.65 62.09 1dm3 s ILE 269 Cb 0.00 -4.09 0.16 0.00 0.01 0.00 0.00 42.46 38.53 1dm3 s ILE 269 CO 0.00 0.36 0.57 -1.58 0.00 0.00 0.00 174.94 174.29 1dm3 s GLN 270 N -0.02 3.12 0.70 2.79 2.00 -1.26 -4.55 119.66 122.43 1dm3 s GLN 270 Ca 0.38 -1.98 -0.14 0.00 -2.00 0.00 0.00 55.36 51.61 1dm3 s GLN 270 Cb -0.20 -4.28 0.02 0.00 0.80 0.00 0.00 33.01 29.35 1dm3 s GLN 270 CO 0.22 -1.30 1.13 -2.14 -0.50 0.00 0.00 175.29 172.70 1dm3 s PRO 271 N 1.06 2.52 0.34 1.67 0.02 -1.26 -4.92 135.00 134.42 1dm3 s PRO 271 Ca 0.08 1.44 0.26 0.00 0.02 0.00 0.00 61.00 62.81 1dm3 s PRO 271 Cb -0.23 -1.91 0.94 0.00 0.02 0.00 0.00 34.50 33.32 1dm3 s PRO 271 CO -0.01 -1.48 1.78 -0.07 -0.33 0.00 0.00 177.00 176.88 1dm3 h LEU 272 N -0.28 0.00 0.00 -5.54 -0.00 -1.04 -3.43 115.31 105.02 1dm3 h LEU 272 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.42 1dm3 h LEU 272 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 1dm3 h LEU 272 CO 0.52 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.57 1dm3 n GLY 273 N 0.50 1.66 3.62 0.83 0.00 -1.21 -4.76 105.19 105.82 1dm3 n GLY 273 Ca 0.03 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 1dm3 n GLY 273 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dm3 s ARG 274 N -2.00 3.52 -0.54 1.61 3.52 0.81 -1.16 118.95 124.72 1dm3 s ARG 274 Ca 0.00 -0.41 -0.25 0.00 -0.13 0.00 0.00 55.73 54.94 1dm3 s ARG 274 Cb 0.00 -2.97 0.04 0.00 -1.56 0.00 0.00 34.95 30.45 1dm3 s ARG 274 CO 0.00 0.43 0.96 0.42 -0.81 0.00 0.00 175.30 176.30 1dm3 s ILE 275 N -0.12 4.36 0.03 4.11 1.01 -0.23 -0.94 121.20 129.43 1dm3 s ILE 275 Ca 0.05 0.43 -0.15 0.00 0.00 0.00 0.00 60.65 60.97 1dm3 s ILE 275 Cb -0.13 -4.54 -0.36 0.00 0.01 0.00 0.00 42.46 37.45 1dm3 s ILE 275 CO 0.02 -1.09 1.01 -0.37 0.00 0.00 0.00 174.94 174.51 1dm3 h VAL 276 N 6.05 1.29 -2.60 2.92 -1.51 -1.68 -3.42 116.25 117.30 1dm3 h VAL 276 Ca -0.26 -2.72 0.13 0.00 -1.23 0.00 0.00 66.70 62.63 1dm3 h VAL 276 Cb 1.07 3.04 -0.07 0.00 -2.13 0.00 0.00 31.29 33.20 1dm3 h VAL 276 CO 1.09 0.81 0.38 -0.94 -1.23 0.00 0.00 177.57 177.68 1dm3 s SER 277 N -7.58 -0.22 0.13 4.19 1.04 -1.21 -4.72 113.70 105.33 1dm3 s SER 277 Ca -0.09 -0.46 -0.14 0.00 0.48 0.00 0.00 55.95 55.75 1dm3 s SER 277 Cb 0.04 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.76 1dm3 s SER 277 CO 0.95 -1.06 0.36 -1.66 0.98 0.00 0.00 173.24 172.80 1dm3 s TRP 278 N -3.53 -0.02 0.05 5.02 1.48 -1.26 0.76 118.94 121.44 1dm3 s TRP 278 Ca 0.11 -0.33 -0.18 0.00 -1.06 0.00 0.00 56.10 54.65 1dm3 s TRP 278 Cb -0.03 0.16 0.03 0.00 -1.16 0.00 0.00 33.47 32.48 1dm3 s TRP 278 CO 0.03 -0.70 0.40 0.00 -4.06 0.00 0.00 176.95 172.62 1dm3 s ALA 279 N -3.85 -0.97 -0.02 2.67 0.00 -0.72 -4.69 121.76 114.17 1dm3 s ALA 279 Ca 0.06 0.26 -0.00 0.00 0.00 0.00 0.00 51.96 52.28 1dm3 s ALA 279 Cb 0.02 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.53 1dm3 s ALA 279 CO -0.09 -0.46 0.03 -0.08 0.00 0.00 0.00 175.76 175.16 1dm3 s THR 280 N -2.57 -0.05 0.04 0.00 -1.32 -1.26 -0.67 115.64 109.81 1dm3 s THR 280 Ca -0.05 0.17 -0.04 0.00 -1.21 0.00 0.00 61.69 60.56 1dm3 s THR 280 Cb -0.01 -0.08 -0.02 0.00 -1.51 0.00 0.00 72.50 70.89 1dm3 s THR 280 CO -0.03 0.07 0.05 -0.69 -2.21 0.00 0.00 174.62 171.81 1dm3 s VAL 281 N 0.84 0.14 0.27 5.08 1.01 -0.82 -4.99 120.40 121.94 1dm3 s VAL 281 Ca -0.07 -1.18 0.06 0.00 0.00 0.00 0.00 61.98 60.79 1dm3 s VAL 281 Cb -0.10 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 1dm3 s VAL 281 CO -0.02 -0.65 0.30 -0.83 0.00 0.00 0.00 175.10 173.89 1dm3 s GLY 282 N -2.14 1.42 0.27 4.51 0.00 -1.26 -1.57 107.32 108.54 1dm3 s GLY 282 Ca -0.05 -1.40 -0.05 0.00 0.00 0.00 0.00 44.72 43.22 1dm3 s GLY 282 CO -0.05 -1.40 0.36 -1.34 0.00 0.00 0.00 173.10 170.67 1dm3 s VAL 283 N -2.11 0.00 0.12 1.40 -7.23 0.17 -4.90 120.40 107.85 1dm3 s VAL 283 Ca 0.36 -1.68 -0.32 0.00 -1.81 0.00 0.00 61.98 58.53 1dm3 s VAL 283 Cb -0.08 -2.44 -0.12 0.00 0.56 0.00 0.00 36.38 34.30 1dm3 s VAL 283 CO 0.27 0.00 1.76 -0.67 -0.31 0.00 0.00 175.10 176.16 1dm3 n ASP 284 N -0.74 3.73 -0.23 4.85 -0.08 -1.26 -4.38 116.55 118.44 1dm3 n ASP 284 Ca 0.01 1.02 0.31 0.00 -1.51 0.00 0.00 54.79 54.62 1dm3 n ASP 284 Cb 0.63 -1.50 0.74 0.00 2.34 0.00 0.00 41.12 43.33 1dm3 n ASP 284 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1dm3 h PRO 285 N 7.72 0.00 0.00 -0.67 0.11 -1.86 0.27 132.00 137.57 1dm3 h PRO 285 Ca -0.46 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 1dm3 h PRO 285 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1dm3 h PRO 285 CO 0.93 0.00 -0.35 0.87 -0.21 0.00 0.00 178.00 179.25 1dm3 h LYS 286 N 0.00 0.00 -1.78 1.05 1.57 -1.93 -2.96 116.57 112.52 1dm3 h LYS 286 Ca 0.48 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.70 1dm3 h LYS 286 Cb 1.92 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 33.82 1dm3 h LYS 286 CO -0.01 0.35 -0.80 1.33 -0.57 0.00 0.00 179.45 179.76 1dm3 n VAL 287 N -4.07 2.22 0.29 0.50 0.24 0.07 -4.55 118.33 113.02 1dm3 n VAL 287 Ca -0.02 -4.91 0.16 0.00 -2.04 0.00 0.00 64.34 57.52 1dm3 n VAL 287 Cb 0.39 -0.99 0.88 0.00 -1.47 0.00 0.00 33.84 32.65 1dm3 n VAL 287 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dm3 h MET 288 N 2.81 0.00 0.00 7.34 -0.00 -1.34 -1.50 114.93 122.23 1dm3 h MET 288 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.87 1dm3 h MET 288 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.41 1dm3 h MET 288 CO 0.76 0.05 0.00 0.41 -0.00 0.00 0.00 176.91 178.13 1dm3 n GLY 289 N -0.96 -0.89 0.33 -3.00 0.00 -1.26 -1.65 105.19 97.76 1dm3 n GLY 289 Ca -0.02 0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.25 1dm3 n GLY 289 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dm3 n THR 290 N -2.02 0.00 -0.19 2.61 -2.24 -0.57 -4.40 114.28 107.47 1dm3 n THR 290 Ca 0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1dm3 n THR 290 Cb 0.08 0.23 0.10 0.00 -2.10 0.00 0.00 70.33 68.65 1dm3 n THR 290 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1dm3 h GLY 291 N 4.90 0.77 0.69 3.38 0.00 -1.48 -1.23 103.07 110.10 1dm3 h GLY 291 Ca 0.00 -0.06 0.17 0.00 0.00 0.00 0.00 47.33 47.44 1dm3 h GLY 291 CO 0.00 -0.08 0.50 -2.55 0.00 0.00 0.00 176.54 174.41 1dm3 h PRO 292 N 0.30 0.00 0.01 4.80 0.11 -1.77 -2.66 132.00 132.80 1dm3 h PRO 292 Ca 0.30 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.41 1dm3 h PRO 292 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.53 1dm3 h PRO 292 CO -0.36 0.00 -0.01 0.82 -0.21 0.00 0.00 178.00 178.24 1dm3 h ILE 293 N 0.00 0.00 -0.95 4.15 2.04 -1.56 0.17 117.51 121.35 1dm3 h ILE 293 Ca 0.27 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.14 1dm3 h ILE 293 Cb 1.26 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 1dm3 h ILE 293 CO -0.00 0.00 0.62 1.55 0.00 0.00 0.00 178.15 180.31 1dm3 h PRO 294 N -0.02 1.27 -0.44 2.37 0.13 -1.72 -2.21 132.00 131.38 1dm3 h PRO 294 Ca -0.00 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 65.00 1dm3 h PRO 294 Cb 0.01 -0.28 -0.02 0.00 0.13 0.00 0.00 31.00 30.85 1dm3 h PRO 294 CO 0.00 0.86 0.14 0.00 -0.23 0.00 0.00 178.00 178.77 1dm3 h ALA 295 N 1.34 0.57 -0.50 -0.56 0.00 -1.45 -0.45 119.26 118.21 1dm3 h ALA 295 Ca 0.35 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1dm3 h ALA 295 Cb -0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1dm3 h ALA 295 CO -0.07 0.22 0.01 0.77 0.00 0.00 0.00 179.25 180.18 1dm3 h SER 296 N 0.57 0.86 -0.85 0.00 0.02 -0.60 -0.05 113.55 113.51 1dm3 h SER 296 Ca 0.14 -0.30 0.06 0.00 -0.84 0.00 0.00 61.79 60.85 1dm3 h SER 296 Cb 0.26 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.51 1dm3 h SER 296 CO -0.00 0.96 0.52 0.03 -1.14 0.00 0.00 176.83 177.19 1dm3 h ARG 297 N 0.75 0.93 -0.33 3.45 3.08 -1.36 0.21 114.38 121.11 1dm3 h ARG 297 Ca 0.14 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 60.00 1dm3 h ARG 297 Cb 0.51 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1dm3 h ARG 297 CO 0.02 0.61 -0.34 -0.22 -1.07 0.00 0.00 179.97 178.98 1dm3 h LYS 298 N 0.96 0.73 -0.54 0.04 1.63 -0.71 -0.12 116.57 118.56 1dm3 h LYS 298 Ca 0.37 -0.35 -0.08 0.00 -0.85 0.00 0.00 60.65 59.74 1dm3 h LYS 298 Cb 0.17 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 1dm3 h LYS 298 CO -0.17 0.96 0.00 0.00 -3.45 0.00 0.00 179.45 176.79 1dm3 h ALA 299 N 1.00 0.98 -0.38 5.00 0.00 -0.26 -0.36 119.26 125.24 1dm3 h ALA 299 Ca 0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1dm3 h ALA 299 Cb 0.87 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1dm3 h ALA 299 CO 0.08 0.62 0.10 -0.07 0.00 0.00 0.00 179.25 179.98 1dm3 h LEU 300 N 0.85 0.57 -0.57 0.00 3.38 -0.46 -0.03 115.31 119.05 1dm3 h LEU 300 Ca 0.16 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1dm3 h LEU 300 Cb 0.50 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1dm3 h LEU 300 CO 0.02 0.65 0.35 -0.08 0.09 0.00 0.00 178.44 179.47 1dm3 h GLU 301 N 0.47 0.68 0.00 1.13 4.81 -0.66 0.00 114.58 121.01 1dm3 h GLU 301 Ca 0.12 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1dm3 h GLU 301 Cb 0.29 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1dm3 h GLU 301 CO -0.00 0.45 -0.23 0.00 -0.73 0.00 0.00 179.01 178.49 1dm3 h ARG 302 N 0.70 0.00 0.00 1.92 3.08 -0.81 -1.88 114.38 117.38 1dm3 h ARG 302 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1dm3 h ARG 302 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1dm3 h ARG 302 CO -0.09 0.23 -0.10 0.00 -1.07 0.00 0.00 179.97 178.94 1dm3 h ALA 303 N 1.77 0.95 0.00 0.04 0.00 0.00 -3.47 119.26 118.54 1dm3 h ALA 303 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dm3 h ALA 303 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1dm3 h ALA 303 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1dm3 n GLY 304 N 1.14 0.54 3.74 0.00 0.00 -0.19 -5.04 105.19 105.38 1dm3 n GLY 304 Ca 0.04 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 1dm3 n GLY 304 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1dm3 s TRP 305 N -2.00 3.10 0.26 1.61 0.51 -0.19 -5.03 118.94 117.20 1dm3 s TRP 305 Ca 0.00 0.02 -0.06 0.00 -2.12 0.00 0.00 56.10 53.94 1dm3 s TRP 305 Cb 0.00 -1.57 -0.06 0.00 -0.81 0.00 0.00 33.47 31.03 1dm3 s TRP 305 CO 0.00 0.51 0.54 0.15 -0.51 0.00 0.00 176.95 177.63 1dm3 s LYS 306 N -2.44 3.68 0.31 4.98 1.02 -1.26 -4.25 119.74 121.77 1dm3 s LYS 306 Ca 0.28 0.07 0.07 0.00 0.02 0.00 0.00 55.97 56.41 1dm3 s LYS 306 Cb -0.12 -2.66 0.78 0.00 -0.52 0.00 0.00 37.83 35.31 1dm3 s LYS 306 CO 0.21 0.26 1.75 0.82 -0.92 0.00 0.00 175.35 177.47 1dm3 h ILE 307 N 1.58 0.63 0.00 2.17 2.04 -1.96 0.28 117.51 122.25 1dm3 h ILE 307 Ca -0.47 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1dm3 h ILE 307 Cb 1.18 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1dm3 h ILE 307 CO 0.67 0.12 0.00 1.23 0.00 0.00 0.00 178.15 180.18 1dm3 h GLY 308 N 0.67 0.00 2.00 5.37 0.00 -1.96 -2.82 103.07 106.33 1dm3 h GLY 308 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1dm3 h GLY 308 CO -0.43 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 175.56 1dm3 h ASP 309 N 0.00 0.00 -3.94 0.19 3.32 -0.81 -3.46 116.42 111.72 1dm3 h ASP 309 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1dm3 h ASP 309 Cb 0.40 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.03 1dm3 h ASP 309 CO 0.00 0.00 0.63 -0.76 -1.72 0.00 0.00 179.24 177.39 1dm3 s LEU 310 N -5.71 4.24 -0.12 1.55 1.43 -1.07 -4.72 118.68 114.30 1dm3 s LEU 310 Ca 0.06 2.69 0.18 0.00 -1.03 0.00 0.00 54.13 56.03 1dm3 s LEU 310 Cb 0.08 -3.86 -0.26 0.00 0.03 0.00 0.00 46.19 42.18 1dm3 s LEU 310 CO 0.61 -0.82 0.22 0.47 0.23 0.00 0.00 176.35 177.05 1dm3 n ASP 311 N 0.22 0.50 -3.72 2.29 8.00 0.38 -4.99 116.55 119.22 1dm3 n ASP 311 Ca 0.03 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.40 1dm3 n ASP 311 Cb 0.43 1.34 -0.08 0.00 -0.02 0.00 0.00 41.12 42.80 1dm3 n ASP 311 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1dm3 s LEU 312 N -4.94 0.65 0.00 0.64 2.96 -0.93 -4.85 118.68 112.22 1dm3 s LEU 312 Ca -0.08 0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 53.91 1dm3 s LEU 312 Cb 0.08 1.46 -0.01 0.00 0.50 0.00 0.00 46.19 48.23 1dm3 s LEU 312 CO 0.78 -0.51 0.01 -0.69 -1.32 0.00 0.00 176.35 174.62 1dm3 s VAL 313 N -1.63 0.06 -0.26 1.68 1.01 0.13 -2.55 120.40 118.83 1dm3 s VAL 313 Ca -0.11 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1dm3 s VAL 313 Cb -0.04 -0.18 0.07 0.00 0.00 0.00 0.00 36.38 36.24 1dm3 s VAL 313 CO 0.03 -0.26 -0.00 -1.61 0.00 0.00 0.00 175.10 173.26 1dm3 s GLU 314 N -0.78 1.33 -0.38 2.72 0.41 0.38 -0.97 118.70 121.41 1dm3 s GLU 314 Ca -0.09 -1.08 -0.02 0.00 -0.41 0.00 0.00 54.97 53.37 1dm3 s GLU 314 Cb -0.05 -2.52 0.10 0.00 -1.78 0.00 0.00 34.13 29.88 1dm3 s GLU 314 CO -0.00 -0.73 0.14 0.00 -0.49 0.00 0.00 175.26 174.18 1dm3 s ALA 315 N 1.41 3.05 0.32 5.21 0.00 -1.26 -0.28 121.76 130.21 1dm3 s ALA 315 Ca 0.00 -2.40 -0.29 0.00 0.00 0.00 0.00 51.96 49.27 1dm3 s ALA 315 Cb -0.18 -2.26 -0.12 0.00 0.00 0.00 0.00 23.12 20.56 1dm3 s ALA 315 CO -0.10 -1.69 1.42 -1.71 0.00 0.00 0.00 175.76 173.67 1dm3 n ASN 316 N 4.54 3.18 -4.26 0.00 5.15 -0.76 -4.89 115.26 118.22 1dm3 n ASN 316 Ca -0.03 1.19 -0.44 0.00 -0.60 0.00 0.00 54.58 54.70 1dm3 n ASN 316 Cb 0.42 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 38.15 1dm3 n ASN 316 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1dm3 n GLU 317 N 1.18 3.56 0.21 1.20 1.02 -1.26 -4.74 120.64 121.81 1dm3 n GLU 317 Ca 0.06 -3.94 -0.14 0.00 -0.02 0.00 0.00 57.16 53.12 1dm3 n GLU 317 Cb 0.36 -2.88 -0.08 0.00 -0.02 0.00 0.00 31.44 28.82 1dm3 n GLU 317 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dm3 h ALA 318 N 6.56 -0.52 -3.64 0.62 0.00 -1.95 -3.28 119.26 117.04 1dm3 h ALA 318 Ca 0.30 -0.17 -0.25 0.00 0.00 0.00 0.00 54.91 54.79 1dm3 h ALA 318 Cb 0.79 0.20 -0.27 0.00 0.00 0.00 0.00 17.79 18.51 1dm3 h ALA 318 CO 1.31 -0.67 -0.73 -0.06 0.00 0.00 0.00 179.25 179.10 1dm3 s PHE 319 N -5.08 0.19 0.43 0.00 0.08 -1.26 -1.29 117.98 111.04 1dm3 s PHE 319 Ca -0.15 -0.12 0.14 0.00 0.12 0.00 0.00 56.93 56.91 1dm3 s PHE 319 Cb 0.03 -0.12 1.02 0.00 -0.57 0.00 0.00 43.02 43.38 1dm3 s PHE 319 CO 0.56 -0.03 1.97 0.00 -0.10 0.00 0.00 175.22 177.62 1dm3 h ALA 320 N 5.81 2.01 -0.36 5.36 0.00 -0.98 -1.07 119.26 130.03 1dm3 h ALA 320 Ca -0.27 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.70 1dm3 h ALA 320 Cb 1.21 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1dm3 h ALA 320 CO 0.49 -0.15 -0.00 0.00 0.00 0.00 0.00 179.25 179.59 1dm3 h ALA 321 N 1.69 0.32 -0.12 0.00 0.00 -1.90 0.37 119.26 119.63 1dm3 h ALA 321 Ca 0.28 0.10 -0.22 0.00 0.00 0.00 0.00 54.91 55.08 1dm3 h ALA 321 Cb 0.55 0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1dm3 h ALA 321 CO -0.08 -0.40 -0.80 -0.56 0.00 0.00 0.00 179.25 177.41 1dm3 h GLN 322 N 0.10 0.70 -0.25 0.00 -0.00 -1.72 -2.26 115.11 111.68 1dm3 h GLN 322 Ca 0.17 -0.59 0.01 0.00 -0.00 0.00 0.00 58.65 58.24 1dm3 h GLN 322 Cb 0.24 0.13 -0.02 0.00 -0.00 0.00 0.00 27.48 27.84 1dm3 h GLN 322 CO -0.29 1.20 0.14 0.00 -0.00 0.00 0.00 178.83 179.88 1dm3 h ALA 323 N 0.62 0.31 -0.67 0.06 0.00 -0.86 0.70 119.26 119.42 1dm3 h ALA 323 Ca -0.06 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1dm3 h ALA 323 Cb 1.43 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 1dm3 h ALA 323 CO 0.16 -0.25 0.37 0.00 0.00 0.00 0.00 179.25 179.53 1dm3 h ALA 325 N 1.35 0.38 -0.04 0.00 0.00 -0.79 0.29 119.26 120.46 1dm3 h ALA 325 Ca 0.30 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1dm3 h ALA 325 Cb 0.20 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1dm3 h ALA 325 CO -0.19 -0.26 0.02 0.28 0.00 0.00 0.00 179.25 179.10 1dm3 h VAL 326 N 0.28 1.06 -0.56 0.00 2.07 -0.55 -0.20 116.25 118.34 1dm3 h VAL 326 Ca 0.14 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1dm3 h VAL 326 Cb 0.10 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1dm3 h VAL 326 CO -0.14 0.05 0.15 0.78 0.02 0.00 0.00 177.57 178.44 1dm3 h ASN 327 N -0.01 0.80 -0.15 0.57 2.35 -0.79 -1.62 115.58 116.73 1dm3 h ASN 327 Ca 0.01 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 1dm3 h ASN 327 Cb 0.06 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1dm3 h ASN 327 CO -0.00 0.78 0.03 0.50 -1.65 0.00 0.00 177.43 177.09 1dm3 h LYS 328 N 0.83 0.25 -0.08 0.81 3.64 0.16 -1.15 116.57 121.03 1dm3 h LYS 328 Ca 0.18 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1dm3 h LYS 328 Cb 0.28 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1dm3 h LYS 328 CO -0.00 0.41 -0.07 0.22 -2.27 0.00 0.00 179.45 177.74 1dm3 h ASP 329 N 0.05 0.20 -0.81 4.20 1.82 -0.90 -3.23 116.42 117.75 1dm3 h ASP 329 Ca 0.05 -0.46 -0.04 0.00 -0.39 0.00 0.00 57.03 56.18 1dm3 h ASP 329 Cb 0.27 -0.05 -0.04 0.00 0.68 0.00 0.00 39.33 40.19 1dm3 h ASP 329 CO 0.00 0.62 0.34 -0.07 -1.61 0.00 0.00 179.24 178.51 1dm3 h LEU 330 N -0.22 1.11 0.13 2.28 3.38 -1.34 -3.47 115.31 117.17 1dm3 h LEU 330 Ca 0.01 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1dm3 h LEU 330 Cb 0.56 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1dm3 h LEU 330 CO 0.02 0.97 -0.05 0.61 0.09 0.00 0.00 178.44 180.08 1dm3 n GLY 331 N -0.90 0.59 3.78 0.83 0.00 -0.44 -4.99 105.19 104.06 1dm3 n GLY 331 Ca 0.07 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 1dm3 n GLY 331 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1dm3 s TRP 332 N -2.07 2.68 0.08 1.61 -2.14 -1.26 -4.89 118.94 112.95 1dm3 s TRP 332 Ca 0.00 1.54 -0.31 0.00 2.66 0.00 0.00 56.10 59.99 1dm3 s TRP 332 Cb 0.00 -3.09 -0.09 0.00 -3.10 0.00 0.00 33.47 27.19 1dm3 s TRP 332 CO 0.00 -1.64 1.82 0.34 -2.66 0.00 0.00 176.95 174.81 1dm3 s ASP 333 N -2.99 6.48 0.50 -2.66 -1.08 -1.26 -4.81 116.67 110.86 1dm3 s ASP 333 Ca 0.64 2.65 0.17 0.00 -0.52 0.00 0.00 52.55 55.50 1dm3 s ASP 333 Cb -0.18 -2.55 1.25 0.00 -1.46 0.00 0.00 42.92 39.97 1dm3 s ASP 333 CO 0.47 -0.99 2.11 1.55 0.52 0.00 0.00 175.17 178.83 1dm3 h PRO 334 N 9.10 0.00 0.00 4.34 0.13 -1.95 -2.31 132.00 141.31 1dm3 h PRO 334 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1dm3 h PRO 334 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1dm3 h PRO 334 CO 0.94 0.07 0.00 0.66 -0.23 0.00 0.00 178.00 179.44 1dm3 h SER 335 N 0.00 0.00 -0.64 1.44 4.64 -2.01 -1.99 113.55 115.00 1dm3 h SER 335 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dm3 h SER 335 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1dm3 h SER 335 CO 0.01 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.27 1dm3 n ILE 336 N -3.00 1.00 -4.12 0.95 -5.35 -0.87 -4.78 119.36 103.20 1dm3 n ILE 336 Ca -0.01 -1.00 -0.34 0.00 -0.27 0.00 0.00 62.75 61.13 1dm3 n ILE 336 Cb 0.18 0.50 -0.11 0.00 -1.74 0.00 0.00 39.64 38.47 1dm3 n ILE 336 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1dm3 s VAL 337 N -1.00 4.49 -1.23 7.28 1.01 -0.75 0.20 120.40 130.40 1dm3 s VAL 337 Ca 0.42 -0.14 -0.27 0.00 0.00 0.00 0.00 61.98 62.00 1dm3 s VAL 337 Cb 0.22 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.61 1dm3 s VAL 337 CO 0.29 0.47 0.65 0.59 0.00 0.00 0.00 175.10 177.09 1dm3 n ASN 338 N 3.58 -3.86 0.28 3.32 4.13 -0.14 -4.81 115.26 117.76 1dm3 n ASN 338 Ca -0.17 -1.21 0.16 0.00 1.68 0.00 0.00 54.58 55.05 1dm3 n ASN 338 Cb 0.52 -2.22 0.76 0.00 -1.54 0.00 0.00 39.78 37.31 1dm3 n ASN 338 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 1dm3 h VAL 339 N -2.33 0.21 -0.42 2.41 3.04 -1.82 -1.47 116.25 115.88 1dm3 h VAL 339 Ca -0.69 -0.51 -0.03 0.00 -1.01 0.00 0.00 66.70 64.46 1dm3 h VAL 339 Cb 1.39 1.42 -0.02 0.00 -2.01 0.00 0.00 31.29 32.07 1dm3 h VAL 339 CO 0.53 0.06 0.02 0.59 -1.01 0.00 0.00 177.57 177.76 1dm3 n ASN 340 N -3.26 4.56 0.00 3.17 3.02 -1.26 -4.88 115.26 116.61 1dm3 n ASN 340 Ca -0.01 -3.04 0.00 0.00 -0.03 0.00 0.00 54.58 51.50 1dm3 n ASN 340 Cb 0.26 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 1dm3 n ASN 340 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dm3 n GLY 341 N -0.12 0.14 0.00 7.41 0.00 -0.55 -3.14 105.19 108.92 1dm3 n GLY 341 Ca 0.26 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1dm3 n GLY 341 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dm3 n GLY 342 N -0.15 3.57 0.34 -0.02 0.00 -1.26 -4.78 105.19 102.89 1dm3 n GLY 342 Ca 0.00 -1.51 0.15 0.00 0.00 0.00 0.00 46.02 44.66 1dm3 n GLY 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dm3 h ALA 343 N 1.23 2.24 -0.92 4.61 0.00 -1.80 0.15 119.26 124.78 1dm3 h ALA 343 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.04 1dm3 h ALA 343 Cb 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1dm3 h ALA 343 CO 0.00 -0.35 0.59 0.82 0.00 0.00 0.00 179.25 180.31 1dm3 h ILE 344 N 0.10 0.84 0.07 0.00 2.04 -1.86 0.31 117.51 119.01 1dm3 h ILE 344 Ca 0.19 -0.25 -0.30 0.00 1.00 0.00 0.00 64.86 65.49 1dm3 h ILE 344 Cb 0.61 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1dm3 h ILE 344 CO -0.02 0.14 -1.63 0.00 0.00 0.00 0.00 178.15 176.64 1dm3 h ALA 345 N 1.59 0.34 0.00 1.87 0.00 -1.50 -3.41 119.26 118.15 1dm3 h ALA 345 Ca 0.46 -1.29 -0.17 0.00 0.00 0.00 0.00 54.91 53.91 1dm3 h ALA 345 Cb 0.70 0.71 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1dm3 h ALA 345 CO -0.23 1.01 -0.96 0.82 0.00 0.00 0.00 179.25 179.89 1dm3 h ILE 346 N -0.44 1.02 0.00 0.00 2.04 -0.64 -2.44 117.51 117.04 1dm3 h ILE 346 Ca -0.38 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 62.93 1dm3 h ILE 346 Cb 1.69 2.46 0.00 0.00 -0.74 0.00 0.00 36.82 40.22 1dm3 h ILE 346 CO -0.05 0.58 0.00 0.61 0.00 0.00 0.00 178.15 179.29 1dm3 n GLY 347 N 1.33 1.93 2.21 5.37 0.00 0.11 -4.65 105.19 111.48 1dm3 n GLY 347 Ca -0.03 -2.06 -0.24 0.00 0.00 0.00 0.00 46.02 43.69 1dm3 n GLY 347 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1dm3 n HIS 348 N 0.63 -0.09 -2.08 1.61 -0.00 -1.25 -4.54 115.22 109.50 1dm3 n HIS 348 Ca 0.00 -3.61 -0.28 0.00 0.46 0.00 0.00 57.72 54.29 1dm3 n HIS 348 Cb 0.00 -0.37 -0.05 0.00 -0.12 0.00 0.00 29.99 29.46 1dm3 n HIS 348 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1dm3 s PRO 349 N -1.29 2.62 0.00 1.57 0.04 -1.26 -4.17 135.00 132.51 1dm3 s PRO 349 Ca 0.35 -0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.13 1dm3 s PRO 349 Cb 0.17 -5.02 0.00 0.00 0.04 0.00 0.00 34.50 29.69 1dm3 s PRO 349 CO -0.10 -3.26 0.42 0.44 0.04 0.00 0.00 177.00 174.54 1dm3 n ILE 350 N 7.77 0.00 0.30 0.56 -5.35 -1.26 -0.22 119.36 121.15 1dm3 n ILE 350 Ca 0.38 0.64 0.16 0.00 -0.27 0.00 0.00 62.75 63.66 1dm3 n ILE 350 Cb 0.48 -0.86 0.76 0.00 -1.74 0.00 0.00 39.64 38.28 1dm3 n ILE 350 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1dm3 h GLY 351 N 0.00 0.00 0.55 3.28 0.00 -1.80 -3.12 103.07 101.98 1dm3 h GLY 351 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 1dm3 h GLY 351 CO 0.00 0.00 -2.01 0.00 0.00 0.00 0.00 176.54 174.53 1dm3 n ALA 352 N -1.94 1.49 -0.30 3.60 0.00 0.70 -1.22 120.51 122.84 1dm3 n ALA 352 Ca -0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 53.44 52.40 1dm3 n ALA 352 Cb 0.16 -0.56 0.01 0.00 0.00 0.00 0.00 19.45 19.06 1dm3 n ALA 352 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1dm3 n SER 353 N -2.93 -0.56 -0.26 0.00 7.64 -0.39 -0.33 113.62 116.79 1dm3 n SER 353 Ca -0.24 1.32 0.05 0.00 1.01 0.00 0.00 58.87 61.01 1dm3 n SER 353 Cb 1.10 -0.27 0.28 0.00 -1.01 0.00 0.00 64.21 64.31 1dm3 n SER 353 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1dm3 h GLY 354 N 0.00 1.18 1.90 0.23 0.00 -1.81 0.94 103.07 105.51 1dm3 h GLY 354 Ca 0.23 -0.37 -0.17 0.00 0.00 0.00 0.00 47.33 47.02 1dm3 h GLY 354 CO -0.74 0.27 -0.85 0.00 0.00 0.00 0.00 176.54 175.22 1dm3 h ALA 355 N 1.55 0.52 0.17 3.60 0.00 -0.84 -2.59 119.26 121.66 1dm3 h ALA 355 Ca 0.36 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1dm3 h ALA 355 Cb 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1dm3 h ALA 355 CO -0.13 0.99 -0.08 -0.09 0.00 0.00 0.00 179.25 179.94 1dm3 h ARG 356 N 0.00 -0.21 0.00 0.00 1.12 0.71 -1.53 114.38 114.47 1dm3 h ARG 356 Ca -0.03 0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 58.81 1dm3 h ARG 356 Cb 1.61 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 31.62 1dm3 h ARG 356 CO 0.10 -0.13 -0.21 -0.84 -3.11 0.00 0.00 179.97 175.78 1dm3 h ILE 357 N -0.24 1.08 -0.74 1.20 3.07 -0.95 -2.08 117.51 118.85 1dm3 h ILE 357 Ca -0.02 -0.73 -0.06 0.00 1.55 0.00 0.00 64.86 65.60 1dm3 h ILE 357 Cb 0.19 1.40 -0.03 0.00 -0.27 0.00 0.00 36.82 38.10 1dm3 h ILE 357 CO 0.04 0.20 0.21 0.25 -1.05 0.00 0.00 178.15 177.80 1dm3 h LEU 358 N 0.00 1.09 -0.06 0.16 6.46 -1.19 0.78 115.31 122.56 1dm3 h LEU 358 Ca -0.00 -0.22 -0.00 0.00 -0.12 0.00 0.00 57.88 57.53 1dm3 h LEU 358 Cb 0.38 -0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 40.02 1dm3 h LEU 358 CO 0.03 1.02 0.02 0.78 -0.62 0.00 0.00 178.44 179.67 1dm3 h ASN 359 N 1.11 0.08 -0.31 1.25 2.35 -1.03 0.34 115.58 119.37 1dm3 h ASN 359 Ca 0.24 -0.18 0.05 0.00 -0.55 0.00 0.00 56.30 55.86 1dm3 h ASN 359 Cb 0.34 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.64 1dm3 h ASN 359 CO -0.00 0.24 0.00 0.74 -1.65 0.00 0.00 177.43 176.76 1dm3 h THR 360 N -0.08 0.77 -0.31 2.81 2.02 -1.10 -0.34 112.91 116.67 1dm3 h THR 360 Ca 0.02 -0.03 0.04 0.00 0.77 0.00 0.00 66.41 67.21 1dm3 h THR 360 Cb 0.19 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 1dm3 h THR 360 CO -0.00 0.02 0.08 0.25 0.37 0.00 0.00 175.52 176.24 1dm3 h LEU 361 N 0.09 0.05 -0.40 2.58 6.46 -0.63 -2.58 115.31 120.88 1dm3 h LEU 361 Ca 0.15 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.99 1dm3 h LEU 361 Cb 0.20 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.14 1dm3 h LEU 361 CO -0.25 0.07 0.18 -0.07 -0.62 0.00 0.00 178.44 177.75 1dm3 h LEU 362 N 0.20 0.25 -0.69 2.25 3.38 -0.27 -0.29 115.31 120.14 1dm3 h LEU 362 Ca 0.14 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1dm3 h LEU 362 Cb 0.14 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1dm3 h LEU 362 CO -0.17 0.18 -0.34 -0.26 0.09 0.00 0.00 178.44 177.94 1dm3 h PHE 363 N 0.37 0.00 0.11 1.13 0.04 -1.05 -2.12 116.94 115.42 1dm3 h PHE 363 Ca 0.18 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.65 1dm3 h PHE 363 Cb 0.11 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 1dm3 h PHE 363 CO -0.12 0.34 -1.46 1.49 -0.60 0.00 0.00 178.31 177.96 1dm3 h GLU 364 N 0.00 0.23 -0.37 1.51 4.57 -1.28 -1.12 114.58 118.11 1dm3 h GLU 364 Ca -0.00 -0.39 -0.02 0.00 -1.18 0.00 0.00 59.36 57.76 1dm3 h GLU 364 Cb 0.99 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.71 1dm3 h GLU 364 CO 0.04 1.10 0.15 0.52 -1.18 0.00 0.00 179.01 179.65 1dm3 h MET 365 N 0.06 0.56 0.08 1.92 2.86 -0.89 -1.81 114.93 117.71 1dm3 h MET 365 Ca -0.21 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1dm3 h MET 365 Cb 2.00 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.57 1dm3 h MET 365 CO 0.16 0.54 -0.04 -0.22 1.06 0.00 0.00 176.91 178.41 1dm3 h LYS 366 N 0.46 -0.11 -0.49 1.72 3.64 -1.37 0.15 116.57 120.58 1dm3 h LYS 366 Ca 0.12 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.55 1dm3 h LYS 366 Cb 0.19 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1dm3 h LYS 366 CO -0.01 0.07 0.26 0.07 -2.27 0.00 0.00 179.45 177.57 1dm3 h ARG 367 N -0.27 0.50 -0.01 1.90 0.11 -0.94 -3.10 114.38 112.57 1dm3 h ARG 367 Ca -0.01 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1dm3 h ARG 367 Cb 0.23 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.19 1dm3 h ARG 367 CO 0.02 0.33 -0.27 2.89 0.10 0.00 0.00 179.97 183.04 1dm3 n ARG 368 N -4.87 1.25 -2.79 0.08 1.85 -0.70 -4.96 116.66 106.52 1dm3 n ARG 368 Ca 0.04 -0.90 -0.08 0.00 -1.00 0.00 0.00 57.85 55.91 1dm3 n ARG 368 Cb 0.11 -1.48 0.02 0.00 -1.05 0.00 0.00 32.46 30.06 1dm3 n ARG 368 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1dm3 n GLY 369 N 1.35 0.38 3.74 2.89 0.00 -0.17 -4.98 105.19 108.40 1dm3 n GLY 369 Ca 0.12 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1dm3 n GLY 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dm3 s ALA 370 N -3.02 3.34 -0.17 4.61 0.00 -0.14 -4.97 121.76 121.42 1dm3 s ALA 370 Ca 0.18 0.75 0.01 0.00 0.00 0.00 0.00 51.96 52.91 1dm3 s ALA 370 Cb -0.08 -3.33 -0.22 0.00 0.00 0.00 0.00 23.12 19.49 1dm3 s ALA 370 CO 0.22 -0.15 0.16 0.54 0.00 0.00 0.00 175.76 176.53 1dm3 n ARG 371 N 2.44 0.70 -4.97 0.00 1.74 -1.26 -4.60 116.66 110.70 1dm3 n ARG 371 Ca 0.02 0.20 -0.32 0.00 -0.77 0.00 0.00 57.85 56.98 1dm3 n ARG 371 Cb 0.47 -1.63 -0.16 0.00 -1.02 0.00 0.00 32.46 30.11 1dm3 n ARG 371 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1dm3 s LYS 372 N -2.54 3.10 0.19 5.56 1.02 -1.26 -0.61 119.74 125.20 1dm3 s LYS 372 Ca -0.23 -0.84 -0.01 0.00 0.02 0.00 0.00 55.97 54.91 1dm3 s LYS 372 Cb 0.08 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 34.94 1dm3 s LYS 372 CO 0.72 0.12 0.11 0.20 -0.92 0.00 0.00 175.35 175.59 1dm3 s GLY 373 N 0.50 1.37 -0.09 -3.33 0.00 0.69 -0.47 107.32 105.98 1dm3 s GLY 373 Ca -0.14 -1.66 -0.15 0.00 0.00 0.00 0.00 44.72 42.77 1dm3 s GLY 373 CO 0.05 -1.41 0.38 -2.27 0.00 0.00 0.00 173.10 169.86 1dm3 s LEU 374 N -3.15 0.55 -0.04 0.66 0.20 -1.06 -0.49 118.68 115.35 1dm3 s LEU 374 Ca 0.36 0.53 0.05 0.00 0.69 0.00 0.00 54.13 55.76 1dm3 s LEU 374 Cb 0.07 1.40 -0.01 0.00 -0.43 0.00 0.00 46.19 47.22 1dm3 s LEU 374 CO 0.10 -0.28 -0.19 0.00 -0.29 0.00 0.00 176.35 175.69 1dm3 s ALA 375 N -0.44 1.66 -0.08 5.97 0.00 -0.89 -0.47 121.76 127.52 1dm3 s ALA 375 Ca -0.06 -0.79 -0.10 0.00 0.00 0.00 0.00 51.96 51.01 1dm3 s ALA 375 Cb -0.03 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.60 1dm3 s ALA 375 CO 0.02 0.33 0.27 -0.08 0.00 0.00 0.00 175.76 176.30 1dm3 s THR 376 N -0.12 0.02 0.11 0.00 -1.32 0.61 -0.62 115.64 114.33 1dm3 s THR 376 Ca -0.01 -0.14 0.05 0.00 -1.21 0.00 0.00 61.69 60.38 1dm3 s THR 376 Cb -0.11 -0.42 -0.04 0.00 -1.51 0.00 0.00 72.50 70.42 1dm3 s THR 376 CO 0.02 -0.08 -0.12 -0.76 -2.21 0.00 0.00 174.62 171.47 1dm3 s LEU 377 N -0.23 2.42 0.43 9.08 1.02 -0.51 -1.84 118.68 129.06 1dm3 s LEU 377 Ca -0.03 -0.83 -0.10 0.00 0.02 0.00 0.00 54.13 53.19 1dm3 s LEU 377 Cb -0.03 -0.41 -0.06 0.00 0.02 0.00 0.00 46.19 45.71 1dm3 s LEU 377 CO 0.01 -0.22 0.79 0.00 0.02 0.00 0.00 176.35 176.95 1dm3 s ILE 379 N -2.49 -0.09 0.27 0.00 1.01 0.60 -4.49 121.20 116.00 1dm3 s ILE 379 Ca 0.51 0.27 -0.30 0.00 0.00 0.00 0.00 60.65 61.13 1dm3 s ILE 379 Cb -0.10 -0.16 -0.14 0.00 0.01 0.00 0.00 42.46 42.07 1dm3 s ILE 379 CO 0.35 0.11 1.22 0.61 0.00 0.00 0.00 174.94 177.23 1dm3 n GLY 380 N 4.55 0.30 0.00 6.18 0.00 -1.26 -1.52 105.19 113.45 1dm3 n GLY 380 Ca -0.20 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1dm3 n GLY 380 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dm3 n GLY 381 N 1.54 3.07 0.62 -0.02 0.00 -1.26 -4.55 105.19 104.57 1dm3 n GLY 381 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1dm3 n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dm3 n GLY 382 N -1.33 0.83 3.41 -0.02 0.00 -0.57 -4.20 105.19 103.31 1dm3 n GLY 382 Ca 0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 1dm3 n GLY 382 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1dm3 s MET 383 N -2.41 1.28 0.07 1.61 1.00 -0.91 0.46 119.30 120.40 1dm3 s MET 383 Ca 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 55.69 54.49 1dm3 s MET 383 Cb 0.00 0.40 -0.04 0.00 0.00 0.00 0.00 34.83 35.20 1dm3 s MET 383 CO 0.00 -0.49 -0.06 0.20 0.00 0.00 0.00 175.02 174.67 1dm3 s GLY 384 N -2.99 0.63 -0.03 -0.03 0.00 -0.61 -0.29 107.32 103.99 1dm3 s GLY 384 Ca 0.20 -1.16 -0.06 0.00 0.00 0.00 0.00 44.72 43.70 1dm3 s GLY 384 CO 0.03 -1.26 0.14 0.54 0.00 0.00 0.00 173.10 172.56 1dm3 s VAL 385 N -3.11 0.04 0.06 1.40 0.11 -1.08 -1.94 120.40 115.88 1dm3 s VAL 385 Ca 0.05 -0.30 -0.07 0.00 -2.93 0.00 0.00 61.98 58.73 1dm3 s VAL 385 Cb 0.02 -0.30 -0.01 0.00 -1.53 0.00 0.00 36.38 34.56 1dm3 s VAL 385 CO -0.05 -0.16 0.14 0.00 -3.33 0.00 0.00 175.10 171.71 1dm3 s ALA 386 N -0.53 -0.14 -0.09 1.54 0.00 0.15 -1.43 121.76 121.27 1dm3 s ALA 386 Ca -0.06 -0.59 -0.06 0.00 0.00 0.00 0.00 51.96 51.25 1dm3 s ALA 386 Cb -0.04 0.36 0.03 0.00 0.00 0.00 0.00 23.12 23.47 1dm3 s ALA 386 CO 0.01 -0.41 0.22 1.41 0.00 0.00 0.00 175.76 176.98 1dm3 s MET 387 N -3.28 0.21 0.07 0.00 1.75 0.21 -1.76 119.30 116.50 1dm3 s MET 387 Ca 0.01 0.40 -0.02 0.00 -1.25 0.00 0.00 55.69 54.82 1dm3 s MET 387 Cb 0.02 -0.01 -0.04 0.00 2.84 0.00 0.00 34.83 37.64 1dm3 s MET 387 CO -0.08 -0.10 0.25 0.00 -0.65 0.00 0.00 175.02 174.44 1dm3 s ILE 389 N -1.51 -0.03 0.01 0.00 -1.09 0.36 -1.81 121.20 117.13 1dm3 s ILE 389 Ca 0.35 0.13 0.08 0.00 -2.23 0.00 0.00 60.65 58.99 1dm3 s ILE 389 Cb -0.13 -0.06 -0.02 0.00 -1.58 0.00 0.00 42.46 40.66 1dm3 s ILE 389 CO 0.25 0.06 -0.26 -0.70 -1.23 0.00 0.00 174.94 173.07 1dm3 s GLU 390 N 0.69 1.94 0.44 2.79 2.12 -0.12 -0.22 118.70 126.33 1dm3 s GLU 390 Ca -0.06 -0.99 -0.19 0.00 0.36 0.00 0.00 54.97 54.10 1dm3 s GLU 390 Cb -0.08 -1.97 -0.10 0.00 0.26 0.00 0.00 34.13 32.24 1dm3 s GLU 390 CO -0.02 0.53 0.92 -1.54 -0.54 0.00 0.00 175.26 174.61 1dm3 s SER 391 N -0.86 6.82 0.00 -1.70 1.04 0.22 -0.13 113.70 119.08 1dm3 s SER 391 Ca 0.10 1.58 0.26 0.00 0.48 0.00 0.00 55.95 58.37 1dm3 s SER 391 Cb -0.10 -2.50 0.60 0.00 0.10 0.00 0.00 66.02 64.13 1dm3 s SER 391 CO 0.00 -0.40 1.49 0.18 0.98 0.00 0.00 173.24 175.50