#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 4.08 0.17 2.46 -1.09 -1.26 -0.08 121.20 125.48 1dm3 s ILE 5 Ca 0.00 -0.30 0.08 0.00 -2.23 0.00 0.00 60.65 58.20 1dm3 s ILE 5 Cb 0.00 -2.78 -0.04 0.00 -1.58 0.00 0.00 42.46 38.06 1dm3 s ILE 5 CO 0.00 0.52 -0.17 0.68 -1.23 0.00 0.00 174.94 174.74 1dm3 s VAL 6 N 0.06 1.76 -0.52 2.92 -7.23 -0.31 -0.85 120.40 116.23 1dm3 s VAL 6 Ca 0.01 -1.97 -0.19 0.00 -1.81 0.00 0.00 61.98 58.02 1dm3 s VAL 6 Cb -0.13 -1.87 0.07 0.00 0.56 0.00 0.00 36.38 35.01 1dm3 s VAL 6 CO 0.02 -0.39 0.61 -0.63 -0.31 0.00 0.00 175.10 174.40 1dm3 s ILE 7 N -2.28 4.91 0.15 -0.62 1.01 0.01 -2.32 121.20 122.06 1dm3 s ILE 7 Ca 0.17 -0.68 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 1dm3 s ILE 7 Cb -0.04 -4.32 0.01 0.00 0.01 0.00 0.00 42.46 38.12 1dm3 s ILE 7 CO 0.06 -0.85 1.58 0.00 0.00 0.00 0.00 174.94 175.74 1dm3 h ALA 8 N 9.00 0.66 -2.91 9.38 0.00 -0.23 -0.39 119.26 134.77 1dm3 h ALA 8 Ca -0.28 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 1dm3 h ALA 8 Cb 1.10 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1dm3 h ALA 8 CO 0.98 0.50 0.01 -1.54 0.00 0.00 0.00 179.25 179.21 1dm3 s SER 9 N -6.43 0.08 0.16 0.00 1.04 -1.23 -4.00 113.70 103.32 1dm3 s SER 9 Ca -0.12 -1.01 -0.22 0.00 0.48 0.00 0.00 55.95 55.08 1dm3 s SER 9 Cb 0.12 0.68 0.06 0.00 0.10 0.00 0.00 66.02 66.98 1dm3 s SER 9 CO 0.83 -1.32 0.57 0.00 0.98 0.00 0.00 173.24 174.31 1dm3 s ALA 10 N -3.50 -1.48 -0.08 5.32 0.00 -1.26 -0.63 121.76 120.14 1dm3 s ALA 10 Ca 0.20 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 52.24 1dm3 s ALA 10 Cb -0.03 0.86 0.11 0.00 0.00 0.00 0.00 23.12 24.06 1dm3 s ALA 10 CO 0.11 -0.76 0.90 0.00 0.00 0.00 0.00 175.76 176.01 1dm3 s ALA 11 N -3.77 -1.86 0.02 0.00 0.00 -0.87 -4.77 121.76 110.51 1dm3 s ALA 11 Ca 0.02 1.32 -0.10 0.00 0.00 0.00 0.00 51.96 53.20 1dm3 s ALA 11 Cb -0.01 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1dm3 s ALA 11 CO -0.12 -0.46 0.20 -0.98 0.00 0.00 0.00 175.76 174.40 1dm3 s ARG 12 N -1.91 0.64 0.85 0.00 1.70 -0.01 -1.27 118.95 118.95 1dm3 s ARG 12 Ca -0.01 -0.50 -0.11 0.00 -0.47 0.00 0.00 55.73 54.64 1dm3 s ARG 12 Cb -0.01 0.27 0.15 0.00 -0.57 0.00 0.00 34.95 34.79 1dm3 s ARG 12 CO -0.01 -0.18 1.19 0.95 -1.08 0.00 0.00 175.30 176.17 1dm3 s THR 13 N -2.08 2.07 0.75 4.99 -4.23 0.72 -1.59 115.64 116.27 1dm3 s THR 13 Ca -0.09 -0.17 -0.12 0.00 -1.18 0.00 0.00 61.69 60.13 1dm3 s THR 13 Cb -0.03 -2.91 0.05 0.00 1.34 0.00 0.00 72.50 70.95 1dm3 s THR 13 CO -0.01 0.00 1.11 0.00 -0.54 0.00 0.00 174.62 175.18 1dm3 s ALA 14 N -3.59 2.24 -0.23 3.99 0.00 -1.26 -4.70 121.76 118.21 1dm3 s ALA 14 Ca 0.69 0.42 -0.13 0.00 0.00 0.00 0.00 51.96 52.94 1dm3 s ALA 14 Cb -0.06 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1dm3 s ALA 14 CO 0.49 -1.71 0.28 0.08 0.00 0.00 0.00 175.76 174.90 1dm3 s VAL 15 N -2.64 5.27 0.42 0.00 1.01 -1.26 -4.64 120.40 118.56 1dm3 s VAL 15 Ca 0.64 0.43 -0.06 0.00 0.00 0.00 0.00 61.98 62.99 1dm3 s VAL 15 Cb -0.19 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1dm3 s VAL 15 CO 0.51 0.28 0.73 -0.83 0.00 0.00 0.00 175.10 175.79 1dm3 s GLY 16 N 1.15 1.68 0.60 4.51 0.00 -0.48 -2.69 107.32 112.09 1dm3 s GLY 16 Ca 0.13 -0.45 -0.06 0.00 0.00 0.00 0.00 44.72 44.34 1dm3 s GLY 16 CO 0.07 -0.29 0.91 -0.56 0.00 0.00 0.00 173.10 173.22 1dm3 s SER 17 N -3.66 5.49 -0.22 1.64 0.01 -1.26 -2.12 113.70 113.59 1dm3 s SER 17 Ca 0.47 0.66 -0.29 0.00 1.31 0.00 0.00 55.95 58.11 1dm3 s SER 17 Cb -0.10 -1.61 -0.04 0.00 0.21 0.00 0.00 66.02 64.48 1dm3 s SER 17 CO 0.38 -1.13 1.83 0.12 0.41 0.00 0.00 173.24 174.85 1dm3 s PHE 18 N -3.02 1.73 -0.80 2.43 5.36 -1.14 -1.46 117.98 121.09 1dm3 s PHE 18 Ca 0.55 0.44 0.00 0.00 -0.96 0.00 0.00 56.93 56.96 1dm3 s PHE 18 Cb -0.11 -4.04 0.00 0.00 -0.34 0.00 0.00 43.02 38.53 1dm3 s PHE 18 CO 0.45 -3.50 0.00 0.09 -1.46 0.00 0.00 175.22 170.80 1dm3 n ASN 19 N 9.50 -3.47 0.00 6.13 3.02 -1.26 -4.99 115.26 124.19 1dm3 n ASN 19 Ca 0.22 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 1dm3 n ASN 19 Cb 0.45 -2.28 0.00 0.00 -0.61 0.00 0.00 39.78 37.34 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 -1.45 0.63 0.25 7.41 0.00 -0.53 -4.59 105.19 106.92 1dm3 n GLY 20 Ca -0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.36 1.91 -0.34 4.61 0.00 -1.95 -2.53 119.26 119.61 1dm3 h ALA 21 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dm3 h ALA 21 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1dm3 h ALA 21 CO 0.00 0.05 0.00 1.19 0.00 0.00 0.00 179.25 180.49 1dm3 n PHE 22 N -4.46 0.69 -0.25 0.00 3.72 -1.26 -4.78 117.46 111.13 1dm3 n PHE 22 Ca -0.03 -0.64 0.23 0.00 -0.05 0.00 0.00 57.45 56.96 1dm3 n PHE 22 Cb 0.12 -0.14 0.42 0.00 -0.94 0.00 0.00 39.48 38.94 1dm3 n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1dm3 n ALA 23 N 0.20 0.73 -1.56 4.37 0.00 -0.95 0.71 120.51 124.01 1dm3 n ALA 23 Ca 0.16 0.78 0.06 0.00 0.00 0.00 0.00 53.44 54.44 1dm3 n ALA 23 Cb 0.62 -0.75 0.20 0.00 0.00 0.00 0.00 19.45 19.52 1dm3 n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1dm3 n ASN 24 N -4.77 1.80 -4.43 0.00 3.02 -1.26 -4.27 115.26 105.34 1dm3 n ASN 24 Ca 0.27 -3.85 -0.38 0.00 -0.03 0.00 0.00 54.58 50.60 1dm3 n ASN 24 Cb 0.93 -0.53 -0.12 0.00 -0.61 0.00 0.00 39.78 39.45 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 -3.22 4.45 0.52 3.41 2.01 0.22 -5.07 115.64 117.97 1dm3 s THR 25 Ca 0.38 -0.37 -0.23 0.00 0.31 0.00 0.00 61.69 61.79 1dm3 s THR 25 Cb 0.37 -3.21 -0.06 0.00 0.01 0.00 0.00 72.50 69.61 1dm3 s THR 25 CO -0.06 0.15 1.39 -2.65 -0.69 0.00 0.00 174.62 172.76 1dm3 n PRO 26 N 4.95 1.84 0.24 4.92 -0.02 -1.26 -4.80 135.00 140.87 1dm3 n PRO 26 Ca -0.15 0.67 0.07 0.00 -2.02 0.00 0.00 63.50 62.07 1dm3 n PRO 26 Cb 0.50 -2.60 0.57 0.00 -0.02 0.00 0.00 33.50 31.94 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 1.65 1.79 0.00 3.55 0.00 -1.91 -2.31 119.26 122.03 1dm3 h ALA 27 Ca -0.51 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 1dm3 h ALA 27 Cb 1.29 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1dm3 h ALA 27 CO 0.58 0.14 -0.16 1.12 0.00 0.00 0.00 179.25 180.93 1dm3 h HIS 28 N 0.00 0.00 -0.18 0.00 2.07 -1.90 0.49 115.15 115.63 1dm3 h HIS 28 Ca -0.00 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.41 1dm3 h HIS 28 Cb 0.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.18 1dm3 h HIS 28 CO 0.00 0.16 -0.31 0.93 -3.07 0.00 0.00 177.93 175.64 1dm3 h GLU 29 N 0.00 0.53 -0.25 5.12 5.08 -1.78 -0.35 114.58 122.92 1dm3 h GLU 29 Ca -0.00 -0.33 -0.10 0.00 -1.00 0.00 0.00 59.36 57.93 1dm3 h GLU 29 Cb 0.44 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1dm3 h GLU 29 CO 0.02 0.93 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.61 1dm3 h LEU 30 N 0.18 0.52 -0.16 1.33 3.38 -1.37 -2.82 115.31 116.38 1dm3 h LEU 30 Ca 0.01 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.83 1dm3 h LEU 30 Cb 0.90 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1dm3 h LEU 30 CO 0.07 0.79 -0.05 1.23 0.09 0.00 0.00 178.44 180.56 1dm3 h GLY 31 N 1.04 0.09 0.58 0.83 0.00 -0.77 -2.42 103.07 102.41 1dm3 h GLY 31 Ca 0.06 0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.50 1dm3 h GLY 31 CO 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 176.54 176.51 1dm3 h ALA 32 N 1.12 0.22 -0.40 3.60 0.00 -0.96 -0.48 119.26 122.37 1dm3 h ALA 32 Ca 0.08 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1dm3 h ALA 32 Cb 0.15 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1dm3 h ALA 32 CO -0.18 -0.43 -0.04 1.15 0.00 0.00 0.00 179.25 179.76 1dm3 h THR 33 N 0.07 0.66 -0.42 0.00 2.02 -1.31 -0.59 112.91 113.33 1dm3 h THR 33 Ca 0.12 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.22 1dm3 h THR 33 Cb 0.17 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1dm3 h THR 33 CO -0.22 0.01 0.01 0.58 0.37 0.00 0.00 175.52 176.27 1dm3 h VAL 34 N 0.07 1.22 -0.45 3.16 2.07 -0.90 -0.84 116.25 120.57 1dm3 h VAL 34 Ca 0.20 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 1dm3 h VAL 34 Cb 0.29 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1dm3 h VAL 34 CO -0.36 0.31 0.02 0.40 0.02 0.00 0.00 177.57 177.96 1dm3 h ILE 35 N 0.63 1.26 -0.30 4.57 2.04 -0.24 -1.94 117.51 123.53 1dm3 h ILE 35 Ca 0.13 -1.02 -0.12 0.00 1.00 0.00 0.00 64.86 64.85 1dm3 h ILE 35 Cb 0.38 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1dm3 h ILE 35 CO 0.01 0.35 -0.31 0.28 0.00 0.00 0.00 178.15 178.49 1dm3 h SER 36 N 0.63 0.65 0.36 1.72 0.02 -0.93 -2.84 113.55 113.16 1dm3 h SER 36 Ca 0.13 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1dm3 h SER 36 Cb 0.47 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1dm3 h SER 36 CO 0.02 0.92 -0.30 0.00 -1.14 0.00 0.00 176.83 176.33 1dm3 h ALA 37 N 1.12 -0.68 -0.49 3.77 0.00 -0.91 0.06 119.26 122.13 1dm3 h ALA 37 Ca 0.06 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1dm3 h ALA 37 Cb 0.80 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1dm3 h ALA 37 CO 0.07 -0.91 0.12 -0.39 0.00 0.00 0.00 179.25 178.13 1dm3 h VAL 38 N -0.67 0.75 0.30 0.00 -1.51 -1.32 0.29 116.25 114.09 1dm3 h VAL 38 Ca -0.03 -0.09 -0.00 0.00 -1.23 0.00 0.00 66.70 65.35 1dm3 h VAL 38 Cb 0.59 0.46 -0.04 0.00 -2.13 0.00 0.00 31.29 30.18 1dm3 h VAL 38 CO -0.02 0.05 -0.52 -0.07 -1.23 0.00 0.00 177.57 175.77 1dm3 h LEU 39 N 0.26 -1.51 0.06 4.19 4.07 -1.31 -1.69 115.31 119.37 1dm3 h LEU 39 Ca 0.25 0.14 0.02 0.00 0.08 0.00 0.00 57.88 58.37 1dm3 h LEU 39 Cb 0.32 0.53 -0.05 0.00 1.08 0.00 0.00 40.66 42.54 1dm3 h LEU 39 CO -0.31 -0.62 -0.46 -0.33 -1.08 0.00 0.00 178.44 175.64 1dm3 h GLU 40 N -0.88 -0.63 -1.00 1.13 5.08 -0.21 0.19 114.58 118.27 1dm3 h GLU 40 Ca -0.03 0.04 0.27 0.00 -1.00 0.00 0.00 59.36 58.64 1dm3 h GLU 40 Cb 0.82 0.14 -0.13 0.00 0.50 0.00 0.00 28.75 30.08 1dm3 h GLU 40 CO -0.18 -0.42 0.57 0.00 -1.00 0.00 0.00 179.01 177.98 1dm3 h ARG 41 N -0.65 0.48 0.00 2.33 3.08 -0.30 -0.31 114.38 119.00 1dm3 h ARG 41 Ca 0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1dm3 h ARG 41 Cb 0.70 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1dm3 h ARG 41 CO -0.30 0.32 -0.78 0.00 -1.07 0.00 0.00 179.97 178.13 1dm3 n ALA 42 N -2.32 3.13 -1.31 0.04 0.00 -0.65 -4.96 120.51 114.44 1dm3 n ALA 42 Ca 0.28 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1dm3 n ALA 42 Cb 0.81 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 1.35 0.66 3.77 0.00 0.00 0.54 -4.90 105.19 106.60 1dm3 n GLY 43 Ca 0.03 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.00 4.76 0.30 1.61 1.01 -0.36 -5.02 120.40 120.71 1dm3 s VAL 44 Ca 0.00 -0.18 -0.24 0.00 0.00 0.00 0.00 61.98 61.55 1dm3 s VAL 44 Cb 0.00 -3.08 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 1dm3 s VAL 44 CO 0.00 0.52 0.89 0.00 0.00 0.00 0.00 175.10 176.51 1dm3 s ALA 45 N -1.03 3.26 0.28 5.51 0.00 -1.26 -4.31 121.76 124.21 1dm3 s ALA 45 Ca 0.17 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.57 1dm3 s ALA 45 Cb -0.12 -3.09 0.56 0.00 0.00 0.00 0.00 23.12 20.47 1dm3 s ALA 45 CO 0.07 0.21 1.81 0.00 0.00 0.00 0.00 175.76 177.85 1dm3 h ALA 46 N 3.23 1.47 0.00 0.00 0.00 -1.94 -1.02 119.26 121.00 1dm3 h ALA 46 Ca -0.47 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1dm3 h ALA 46 Cb 1.19 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1dm3 h ALA 46 CO 0.65 0.12 0.00 0.41 0.00 0.00 0.00 179.25 180.43 1dm3 n GLY 47 N -1.34 -0.55 0.77 0.00 0.00 -1.26 -2.36 105.19 100.45 1dm3 n GLY 47 Ca 0.19 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.32 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 1.97 -2.81 1.61 1.02 -0.39 -4.91 120.64 115.71 1dm3 n GLU 48 Ca 0.01 -1.54 -0.41 0.00 -0.02 0.00 0.00 57.16 55.19 1dm3 n GLU 48 Cb 0.04 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 29.96 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 -2.09 4.90 -0.16 2.62 1.01 -0.99 -4.54 120.40 121.14 1dm3 s VAL 49 Ca 0.28 1.86 -0.26 0.00 0.00 0.00 0.00 61.98 63.86 1dm3 s VAL 49 Cb 0.20 -4.23 -0.23 0.00 0.00 0.00 0.00 36.38 32.12 1dm3 s VAL 49 CO 0.36 0.14 0.57 0.78 0.00 0.00 0.00 175.10 176.95 1dm3 h ASN 50 N 6.90 0.00 -5.02 3.32 4.21 -1.38 -3.42 115.58 120.20 1dm3 h ASN 50 Ca -0.38 -0.82 -0.09 0.00 1.21 0.00 0.00 56.30 56.22 1dm3 h ASN 50 Cb 1.19 0.00 -0.18 0.00 -1.12 0.00 0.00 38.32 38.21 1dm3 h ASN 50 CO 0.78 1.14 -0.15 -0.70 -1.29 0.00 0.00 177.43 177.20 1dm3 s GLU 51 N -2.25 0.83 -0.17 0.81 2.12 -1.20 -1.51 118.70 117.35 1dm3 s GLU 51 Ca -0.22 -0.26 0.01 0.00 0.36 0.00 0.00 54.97 54.86 1dm3 s GLU 51 Cb -0.00 0.37 0.01 0.00 0.26 0.00 0.00 34.13 34.77 1dm3 s GLU 51 CO 0.64 -0.26 -0.17 0.08 -0.54 0.00 0.00 175.26 175.01 1dm3 s VAL 52 N -1.97 2.44 -0.27 3.70 1.01 -0.61 -1.36 120.40 123.34 1dm3 s VAL 52 Ca -0.09 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1dm3 s VAL 52 Cb -0.02 -2.03 0.06 0.00 0.00 0.00 0.00 36.38 34.39 1dm3 s VAL 52 CO 0.01 0.52 -0.07 -0.63 0.00 0.00 0.00 175.10 174.93 1dm3 s ILE 53 N 1.02 2.41 -0.14 2.22 1.01 -0.56 -0.87 121.20 126.29 1dm3 s ILE 53 Ca -0.02 -1.59 -0.01 0.00 0.00 0.00 0.00 60.65 59.04 1dm3 s ILE 53 Cb -0.15 -2.42 0.04 0.00 0.01 0.00 0.00 42.46 39.94 1dm3 s ILE 53 CO -0.04 -0.07 -0.05 -0.76 0.00 0.00 0.00 174.94 174.02 1dm3 s LEU 54 N 1.14 1.33 0.37 2.97 1.43 -0.73 -1.36 118.68 123.83 1dm3 s LEU 54 Ca -0.07 -0.50 -0.27 0.00 -1.03 0.00 0.00 54.13 52.26 1dm3 s LEU 54 Cb -0.20 -0.81 -0.09 0.00 0.03 0.00 0.00 46.19 45.12 1dm3 s LEU 54 CO -0.04 -0.18 1.25 -0.83 0.23 0.00 0.00 176.35 176.79 1dm3 s GLY 55 N 1.72 2.95 -0.30 -3.19 0.00 -0.02 -2.24 107.32 106.23 1dm3 s GLY 55 Ca 0.02 1.14 -0.11 0.00 0.00 0.00 0.00 44.72 45.78 1dm3 s GLY 55 CO -0.08 1.73 0.83 1.62 0.00 0.00 0.00 173.10 177.21 1dm3 s GLN 56 N -2.06 0.40 0.03 2.90 0.74 -0.53 -1.18 119.66 119.97 1dm3 s GLN 56 Ca 0.53 0.91 0.09 0.00 0.05 0.00 0.00 55.36 56.95 1dm3 s GLN 56 Cb -0.36 0.54 -0.22 0.00 1.10 0.00 0.00 33.01 34.06 1dm3 s GLN 56 CO 0.47 -0.24 0.94 0.28 -0.55 0.00 0.00 175.29 176.18 1dm3 h VAL 57 N 5.70 1.24 -2.62 1.34 2.07 -1.82 -3.41 116.25 118.74 1dm3 h VAL 57 Ca -0.17 -3.02 -0.61 0.00 0.82 0.00 0.00 66.70 63.72 1dm3 h VAL 57 Cb 1.13 2.62 -0.41 0.00 -1.52 0.00 0.00 31.29 33.10 1dm3 h VAL 57 CO 0.09 0.72 -0.64 0.18 0.02 0.00 0.00 177.57 177.93 1dm3 n LEU 58 N -3.20 2.86 -0.62 2.57 4.77 -1.26 -4.88 117.00 117.24 1dm3 n LEU 58 Ca -0.10 -5.20 0.13 0.00 -0.03 0.00 0.00 56.01 50.81 1dm3 n LEU 58 Cb 1.00 -0.53 0.40 0.00 -2.33 0.00 0.00 43.42 41.96 1dm3 n LEU 58 CO 0.46 1.90 0.80 -0.81 -1.33 0.00 0.00 177.39 178.41 1dm3 n PRO 59 N 1.57 1.85 -1.59 3.23 -0.04 -1.26 -4.74 135.00 134.03 1dm3 n PRO 59 Ca 0.25 -1.24 -0.51 0.00 -0.04 0.00 0.00 63.50 61.95 1dm3 n PRO 59 Cb 0.39 -1.47 -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 0.51 -0.96 -0.07 0.55 0.00 -1.26 -1.02 120.51 118.26 1dm3 n ALA 60 Ca 0.18 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.12 1dm3 n ALA 60 Cb 0.42 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 2.39 2.85 0.10 0.00 0.00 -1.26 -4.59 105.19 104.68 1dm3 n GLY 61 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 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 0.21 0.00 1.61 2.13 -0.19 -5.02 120.64 117.38 1dm3 n GLU 62 Ca 0.00 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.08 1dm3 n GLU 62 Cb 0.00 -1.79 0.00 0.00 0.27 0.00 0.00 31.44 29.92 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 0.92 1.07 3.61 8.31 0.00 -1.26 -4.88 105.19 112.96 1dm3 n GLY 63 Ca 0.05 -2.05 -0.48 0.00 0.00 0.00 0.00 46.02 43.54 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 1.23 1.48 -0.83 1.61 6.02 -1.26 -4.00 117.38 121.63 1dm3 n GLN 64 Ca 0.00 0.53 -0.01 0.00 -0.01 0.00 0.00 57.00 57.51 1dm3 n GLN 64 Cb 0.00 -2.09 0.00 0.00 1.02 0.00 0.00 30.24 29.17 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 2.13 -0.21 -0.18 1.08 5.15 -1.26 -4.59 115.26 117.37 1dm3 n ASN 65 Ca 0.14 0.00 0.29 0.00 -0.60 0.00 0.00 54.58 54.41 1dm3 n ASN 65 Cb 0.27 -0.06 0.73 0.00 -0.53 0.00 0.00 39.78 40.19 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 0.61 0.00 -0.54 1.20 0.11 -1.90 -1.78 132.00 129.70 1dm3 h PRO 66 Ca -0.01 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 1dm3 h PRO 66 Cb 0.04 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 1dm3 h PRO 66 CO 0.00 0.00 0.20 0.00 -0.21 0.00 0.00 178.00 178.00 1dm3 h ALA 67 N 1.54 0.70 -0.78 -0.75 0.00 -1.88 0.60 119.26 118.70 1dm3 h ALA 67 Ca 0.43 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1dm3 h ALA 67 Cb 1.74 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 1dm3 h ALA 67 CO -0.00 0.33 0.40 -0.09 0.00 0.00 0.00 179.25 179.89 1dm3 h ARG 68 N 0.73 1.10 -0.92 0.00 9.65 -1.59 -1.57 114.38 121.78 1dm3 h ARG 68 Ca 0.18 -0.14 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 1dm3 h ARG 68 Cb 0.22 -0.21 -0.04 0.00 -1.39 0.00 0.00 29.97 28.55 1dm3 h ARG 68 CO -0.01 0.83 0.55 1.96 2.80 0.00 0.00 179.97 186.10 1dm3 h GLN 69 N 1.09 1.26 -0.25 0.20 4.20 -1.22 -1.27 115.11 119.12 1dm3 h GLN 69 Ca 0.27 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 1dm3 h GLN 69 Cb 0.07 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 1dm3 h GLN 69 CO -0.04 0.88 0.10 0.00 -0.67 0.00 0.00 178.83 179.10 1dm3 h ALA 70 N 1.30 0.32 0.03 3.87 0.00 0.05 -1.72 119.26 123.12 1dm3 h ALA 70 Ca 0.33 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1dm3 h ALA 70 Cb -0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1dm3 h ALA 70 CO -0.06 -0.09 -0.10 0.00 0.00 0.00 0.00 179.25 179.00 1dm3 h ALA 71 N 0.94 -0.14 -0.77 0.00 0.00 -1.18 -0.73 119.26 117.39 1dm3 h ALA 71 Ca 0.08 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1dm3 h ALA 71 Cb 0.18 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1dm3 h ALA 71 CO -0.01 -0.60 0.33 0.52 0.00 0.00 0.00 179.25 179.49 1dm3 h MET 72 N -0.19 1.13 0.00 0.00 2.86 -1.21 -1.27 114.93 116.26 1dm3 h MET 72 Ca 0.03 -0.19 -0.06 0.00 -2.06 0.00 0.00 59.70 57.42 1dm3 h MET 72 Cb 0.21 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1dm3 h MET 72 CO -0.07 0.91 -0.26 -0.22 1.06 0.00 0.00 176.91 178.32 1dm3 h LYS 73 N 1.10 0.00 -0.31 1.72 3.64 -1.02 -1.63 116.57 120.07 1dm3 h LYS 73 Ca 0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1dm3 h LYS 73 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1dm3 h LYS 73 CO -0.02 0.26 0.00 0.00 -2.27 0.00 0.00 179.45 177.42 1dm3 n ALA 74 N -2.40 2.47 -0.15 5.00 0.00 -0.31 -4.91 120.51 120.22 1dm3 n ALA 74 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1dm3 n ALA 74 Cb 0.34 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 0.94 1.10 3.68 0.00 0.00 -0.61 -4.70 105.19 105.60 1dm3 n GLY 75 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1dm3 n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dm3 s VAL 76 N -2.58 3.50 1.10 1.61 1.01 -0.64 -4.65 120.40 119.74 1dm3 s VAL 76 Ca 0.00 0.79 -0.15 0.00 0.00 0.00 0.00 61.98 62.63 1dm3 s VAL 76 Cb 0.00 -3.51 0.17 0.00 0.00 0.00 0.00 36.38 33.04 1dm3 s VAL 76 CO 0.00 -0.03 0.55 -0.81 0.00 0.00 0.00 175.10 174.80 1dm3 n PRO 77 N 6.16 -1.62 0.13 2.72 -0.04 -1.26 -4.17 135.00 136.92 1dm3 n PRO 77 Ca 0.15 -0.44 0.12 0.00 -0.04 0.00 0.00 63.50 63.30 1dm3 n PRO 77 Cb 0.42 -1.96 0.49 0.00 -0.04 0.00 0.00 33.50 32.42 1dm3 n PRO 77 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1dm3 n GLN 78 N -3.29 0.21 -0.03 0.54 10.64 -1.26 -3.08 117.38 121.11 1dm3 n GLN 78 Ca 0.04 0.41 -0.14 0.00 -1.83 0.00 0.00 57.00 55.48 1dm3 n GLN 78 Cb 0.57 -1.89 -0.02 0.00 -0.86 0.00 0.00 30.24 28.04 1dm3 n GLN 78 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1dm3 h GLU 79 N 0.00 0.74 -7.23 2.61 4.81 -1.98 -3.45 114.58 110.09 1dm3 h GLU 79 Ca 0.00 -0.51 -0.42 0.00 -0.13 0.00 0.00 59.36 58.30 1dm3 h GLU 79 Cb 0.41 0.08 0.20 0.00 0.63 0.00 0.00 28.75 30.06 1dm3 h GLU 79 CO 0.00 1.14 0.04 0.00 -0.73 0.00 0.00 179.01 179.46 1dm3 s ALA 80 N -3.96 -0.00 0.36 2.92 0.00 -1.18 -5.06 121.76 114.84 1dm3 s ALA 80 Ca -0.09 -0.61 0.05 0.00 0.00 0.00 0.00 51.96 51.30 1dm3 s ALA 80 Cb 0.10 -3.03 -0.06 0.00 0.00 0.00 0.00 23.12 20.13 1dm3 s ALA 80 CO 0.88 -3.81 0.05 0.95 0.00 0.00 0.00 175.76 173.83 1dm3 s THR 81 N -2.67 1.39 -0.09 0.00 -4.23 -0.57 -5.01 115.64 104.46 1dm3 s THR 81 Ca 0.69 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.94 1dm3 s THR 81 Cb -0.16 -2.80 0.06 0.00 1.34 0.00 0.00 72.50 70.94 1dm3 s THR 81 CO 0.59 0.00 0.60 0.00 -0.54 0.00 0.00 174.62 175.27 1dm3 s ALA 82 N -3.10 -1.55 -0.01 3.99 0.00 -1.26 -1.58 121.76 118.25 1dm3 s ALA 82 Ca 0.34 1.27 -0.24 0.00 0.00 0.00 0.00 51.96 53.33 1dm3 s ALA 82 Cb 0.08 -0.26 0.05 0.00 0.00 0.00 0.00 23.12 23.00 1dm3 s ALA 82 CO 0.16 -0.33 0.54 1.67 0.00 0.00 0.00 175.76 177.79 1dm3 s TRP 83 N -0.82 -0.47 0.10 0.00 1.48 -0.05 -4.65 118.94 114.53 1dm3 s TRP 83 Ca -0.09 0.71 0.03 0.00 -1.06 0.00 0.00 56.10 55.69 1dm3 s TRP 83 Cb -0.02 0.31 -0.04 0.00 -1.16 0.00 0.00 33.47 32.56 1dm3 s TRP 83 CO 0.07 -0.57 0.14 0.20 -4.06 0.00 0.00 176.95 172.73 1dm3 s GLY 84 N -1.47 1.96 0.03 3.67 0.00 -1.26 -1.77 107.32 108.48 1dm3 s GLY 84 Ca -0.10 -1.02 -0.00 0.00 0.00 0.00 0.00 44.72 43.59 1dm3 s GLY 84 CO 0.05 -1.01 -0.03 -3.16 0.00 0.00 0.00 173.10 168.95 1dm3 s MET 85 N -2.65 0.44 -0.12 2.90 0.23 -0.95 -4.94 119.30 114.20 1dm3 s MET 85 Ca 0.31 -0.87 -0.01 0.00 -1.03 0.00 0.00 55.69 54.09 1dm3 s MET 85 Cb -0.12 0.14 0.03 0.00 -1.53 0.00 0.00 34.83 33.36 1dm3 s MET 85 CO 0.24 -0.07 -0.04 1.21 -2.03 0.00 0.00 175.02 174.33 1dm3 s ASN 86 N -2.08 2.26 -0.31 -1.18 2.47 -1.26 -1.46 114.94 113.38 1dm3 s ASN 86 Ca -0.06 -0.39 0.18 0.00 0.42 0.00 0.00 52.86 53.02 1dm3 s ASN 86 Cb -0.02 -0.73 0.47 0.00 -1.45 0.00 0.00 41.25 39.52 1dm3 s ASN 86 CO -0.05 -0.17 1.01 1.67 -3.72 0.00 0.00 177.10 175.84 1dm3 n GLN 87 N 4.99 1.47 0.00 0.43 7.27 -1.26 -4.98 117.38 125.31 1dm3 n GLN 87 Ca -0.10 -3.41 0.00 0.00 0.07 0.00 0.00 57.00 53.56 1dm3 n GLN 87 Cb 0.49 -1.42 0.00 0.00 2.41 0.00 0.00 30.24 31.73 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 -0.24 0.00 0.00 1.69 4.77 -1.26 -2.57 117.00 119.38 1dm3 n LEU 88 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1dm3 n LEU 88 Cb 0.81 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 1dm3 n LEU 88 CO 0.22 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1dm3 n GLY 90 N 0.00 0.00 0.42 -0.72 0.00 -1.26 -4.50 105.19 99.12 1dm3 n GLY 90 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.11 -0.57 1.61 0.02 -1.78 0.91 113.55 111.62 1dm3 h SER 91 Ca 0.00 0.32 0.11 0.00 -0.84 0.00 0.00 61.79 61.38 1dm3 h SER 91 Cb 0.00 0.93 -0.11 0.00 0.14 0.00 0.00 62.40 63.36 1dm3 h SER 91 CO 0.00 -0.24 -0.27 1.23 -1.14 0.00 0.00 176.83 176.41 1dm3 h GLY 92 N -0.03 0.06 0.92 -3.77 0.00 -1.71 0.47 103.07 99.02 1dm3 h GLY 92 Ca 0.15 0.35 -0.13 0.00 0.00 0.00 0.00 47.33 47.71 1dm3 h GLY 92 CO -0.90 -0.22 -0.37 -2.00 0.00 0.00 0.00 176.54 173.05 1dm3 h LEU 93 N -0.13 0.67 -0.44 3.11 5.85 -1.35 -3.29 115.31 119.73 1dm3 h LEU 93 Ca 0.25 -0.54 0.08 0.00 0.84 0.00 0.00 57.88 58.51 1dm3 h LEU 93 Cb 0.52 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 1dm3 h LEU 93 CO -0.65 1.09 0.02 -0.09 -0.34 0.00 0.00 178.44 178.47 1dm3 h ARG 94 N 0.28 0.13 -0.99 1.25 9.65 -0.10 0.23 114.38 124.82 1dm3 h ARG 94 Ca 0.01 -0.01 0.22 0.00 -1.10 0.00 0.00 59.98 59.11 1dm3 h ARG 94 Cb 0.97 -0.03 -0.09 0.00 -1.39 0.00 0.00 29.97 29.43 1dm3 h ARG 94 CO 0.08 0.09 0.63 0.00 2.80 0.00 0.00 179.97 183.57 1dm3 h ALA 95 N 1.38 2.02 -0.59 2.80 0.00 -1.00 0.53 119.26 124.40 1dm3 h ALA 95 Ca 0.22 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1dm3 h ALA 95 Cb 0.32 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1dm3 h ALA 95 CO -0.35 -0.39 0.02 0.28 0.00 0.00 0.00 179.25 178.81 1dm3 h VAL 96 N 0.53 1.26 -0.65 0.00 2.07 -1.02 -1.60 116.25 116.85 1dm3 h VAL 96 Ca 0.56 -1.10 -0.08 0.00 0.82 0.00 0.00 66.70 66.90 1dm3 h VAL 96 Cb 1.21 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1dm3 h VAL 96 CO -0.30 0.40 0.10 0.00 0.02 0.00 0.00 177.57 177.79 1dm3 h ALA 97 N 1.07 0.86 -0.77 1.67 0.00 -0.90 -0.61 119.26 120.59 1dm3 h ALA 97 Ca 0.17 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1dm3 h ALA 97 Cb 0.51 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1dm3 h ALA 97 CO 0.02 0.63 0.38 -0.07 0.00 0.00 0.00 179.25 180.21 1dm3 h LEU 98 N 0.99 1.00 -0.91 0.00 3.38 -0.66 -1.02 115.31 118.09 1dm3 h LEU 98 Ca 0.20 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 1dm3 h LEU 98 Cb 0.44 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1dm3 h LEU 98 CO 0.01 0.84 -0.49 1.23 0.09 0.00 0.00 178.44 180.13 1dm3 h GLY 99 N 1.08 0.14 1.00 0.83 0.00 -1.03 -0.99 103.07 104.09 1dm3 h GLY 99 Ca 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1dm3 h GLY 99 CO -0.03 0.13 0.20 1.98 0.00 0.00 0.00 176.54 178.81 1dm3 h MET 100 N 0.10 0.40 -0.91 4.80 1.85 -0.77 -2.11 114.93 118.29 1dm3 h MET 100 Ca 0.00 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.07 1dm3 h MET 100 Cb 0.91 -0.09 -0.04 0.00 0.43 0.00 0.00 31.60 32.80 1dm3 h MET 100 CO 0.07 0.27 0.57 1.96 -0.40 0.00 0.00 176.91 179.38 1dm3 h GLN 101 N 0.41 1.23 -0.68 0.39 4.20 -0.78 0.18 115.11 120.06 1dm3 h GLN 101 Ca 0.11 -0.10 0.10 0.00 0.06 0.00 0.00 58.65 58.82 1dm3 h GLN 101 Cb -0.04 -0.26 -0.07 0.00 0.30 0.00 0.00 27.48 27.41 1dm3 h GLN 101 CO -0.02 0.85 0.32 1.96 -0.67 0.00 0.00 178.83 181.26 1dm3 h GLN 102 N 1.25 0.53 -0.10 1.46 1.08 -0.51 -1.76 115.11 117.05 1dm3 h GLN 102 Ca 0.33 -0.03 -0.11 0.00 -1.45 0.00 0.00 58.65 57.39 1dm3 h GLN 102 Cb -0.08 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.23 1dm3 h GLN 102 CO -0.07 0.35 -0.35 0.82 -0.95 0.00 0.00 178.83 178.63 1dm3 h ILE 103 N 0.54 1.39 -0.03 2.54 5.03 -1.12 -1.39 117.51 124.47 1dm3 h ILE 103 Ca 0.34 -1.68 0.01 0.00 -0.12 0.00 0.00 64.86 63.41 1dm3 h ILE 103 Cb 0.38 2.18 -0.00 0.00 -3.03 0.00 0.00 36.82 36.35 1dm3 h ILE 103 CO -0.28 0.50 0.02 0.00 -0.68 0.00 0.00 178.15 177.71 1dm3 h ALA 104 N 0.48 1.94 -0.25 1.87 0.00 -0.48 0.13 119.26 122.97 1dm3 h ALA 104 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1dm3 h ALA 104 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1dm3 h ALA 104 CO 0.07 -0.04 0.00 0.25 0.00 0.00 0.00 179.25 179.53 1dm3 n THR 105 N -4.40 0.31 -1.45 0.00 -2.24 -0.71 -4.95 114.28 100.84 1dm3 n THR 105 Ca -0.02 -0.53 -0.08 0.00 -2.27 0.00 0.00 64.05 61.14 1dm3 n THR 105 Cb 0.12 0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 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 1.32 0.76 0.08 3.38 0.00 0.46 -4.91 105.19 106.28 1dm3 n GLY 106 Ca 0.17 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.66 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 0.66 0.74 -3.67 1.61 8.00 -0.54 -4.95 116.55 118.40 1dm3 n ASP 107 Ca -0.08 0.15 -0.10 0.00 0.71 0.00 0.00 54.79 55.47 1dm3 n ASP 107 Cb 0.34 0.40 -0.04 0.00 -0.02 0.00 0.00 41.12 41.79 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 -3.26 -1.01 -0.18 2.24 0.00 -1.11 -4.99 121.76 113.45 1dm3 s ALA 108 Ca 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 51.88 1dm3 s ALA 108 Cb 0.12 0.82 -0.10 0.00 0.00 0.00 0.00 23.12 23.95 1dm3 s ALA 108 CO 0.76 -0.76 -0.18 0.43 0.00 0.00 0.00 175.76 176.02 1dm3 n SER 109 N -0.32 2.28 -3.85 0.00 7.64 -1.26 -4.05 113.62 114.06 1dm3 n SER 109 Ca -0.12 -0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.50 1dm3 n SER 109 Cb 0.63 -0.35 -0.17 0.00 -1.01 0.00 0.00 64.21 63.31 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 -2.35 0.74 0.06 0.44 1.01 -1.26 -4.19 121.20 115.66 1dm3 s ILE 110 Ca -0.24 -0.11 0.09 0.00 0.00 0.00 0.00 60.65 60.39 1dm3 s ILE 110 Cb 0.07 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.69 1dm3 s ILE 110 CO 0.38 0.32 -0.25 -0.63 0.00 0.00 0.00 174.94 174.76 1dm3 s ILE 111 N 1.81 2.02 -0.21 2.92 -1.09 -0.95 -0.93 121.20 124.76 1dm3 s ILE 111 Ca 0.05 -1.40 -0.05 0.00 -2.23 0.00 0.00 60.65 57.01 1dm3 s ILE 111 Cb -0.12 -1.75 -0.02 0.00 -1.58 0.00 0.00 42.46 38.99 1dm3 s ILE 111 CO -0.07 0.27 0.01 -0.69 -1.23 0.00 0.00 174.94 173.23 1dm3 s VAL 112 N -0.85 3.95 0.03 2.92 1.01 -0.46 -0.20 120.40 126.80 1dm3 s VAL 112 Ca 0.11 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1dm3 s VAL 112 Cb -0.10 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1dm3 s VAL 112 CO 0.03 0.41 -0.05 0.00 0.00 0.00 0.00 175.10 175.49 1dm3 s ALA 113 N 1.20 0.28 0.00 5.51 0.00 -0.47 -1.50 121.76 126.78 1dm3 s ALA 113 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1dm3 s ALA 113 Cb -0.15 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.07 1dm3 s ALA 113 CO 0.01 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.09 1dm3 n GLY 114 N 1.67 -0.68 3.57 0.00 0.00 -0.46 0.71 105.19 109.99 1dm3 n GLY 114 Ca -0.23 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.28 0.08 -0.02 0.00 -0.16 -0.84 107.32 106.10 1dm3 s GLY 115 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 44.72 44.69 1dm3 s GLY 115 CO 0.00 -0.06 0.07 -3.16 0.00 0.00 0.00 173.10 169.94 1dm3 s MET 116 N -3.84 0.75 -0.29 2.90 0.23 -0.32 -1.53 119.30 117.19 1dm3 s MET 116 Ca 0.07 -1.15 -0.25 0.00 -1.03 0.00 0.00 55.69 53.33 1dm3 s MET 116 Cb -0.02 0.27 0.14 0.00 -1.53 0.00 0.00 34.83 33.68 1dm3 s MET 116 CO -0.04 -0.19 1.11 -2.00 -2.03 0.00 0.00 175.02 171.87 1dm3 s GLU 117 N -3.91 0.41 -0.41 3.16 2.56 -0.48 -4.16 118.70 115.87 1dm3 s GLU 117 Ca 0.08 0.50 0.03 0.00 0.00 0.00 0.00 54.97 55.58 1dm3 s GLU 117 Cb 0.07 0.20 0.12 0.00 2.00 0.00 0.00 34.13 36.51 1dm3 s GLU 117 CO -0.09 -0.05 0.16 0.45 -0.56 0.00 0.00 175.26 175.17 1dm3 s SER 118 N 0.23 4.22 0.22 -1.70 0.15 -1.26 -1.80 113.70 113.76 1dm3 s SER 118 Ca 0.04 -2.39 0.02 0.00 0.70 0.00 0.00 55.95 54.31 1dm3 s SER 118 Cb -0.05 -1.33 0.20 0.00 -1.71 0.00 0.00 66.02 63.13 1dm3 s SER 118 CO -0.08 -0.32 1.53 0.24 1.20 0.00 0.00 173.24 175.81 1dm3 h MET 119 N 7.20 0.32 -0.67 5.44 2.86 -1.94 -3.03 114.93 125.10 1dm3 h MET 119 Ca -0.06 -0.22 0.07 0.00 -2.06 0.00 0.00 59.70 57.43 1dm3 h MET 119 Cb 0.96 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.59 1dm3 h MET 119 CO 0.54 0.83 0.35 0.77 1.06 0.00 0.00 176.91 180.46 1dm3 h SER 120 N 0.23 0.48 0.00 1.22 0.02 -1.87 -1.45 113.55 112.18 1dm3 h SER 120 Ca -0.01 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1dm3 h SER 120 Cb 1.14 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1dm3 h SER 120 CO 0.10 0.30 0.00 0.23 -1.14 0.00 0.00 176.83 176.32 1dm3 n MET 121 N -4.84 0.96 -2.19 3.45 2.81 -1.15 -4.82 117.12 111.34 1dm3 n MET 121 Ca 0.09 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.56 1dm3 n MET 121 Cb 0.22 -1.37 -0.03 0.00 -0.71 0.00 0.00 33.22 31.33 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 -2.00 3.58 0.67 3.04 0.00 -0.55 -5.00 121.76 121.50 1dm3 s ALA 122 Ca 0.34 1.04 -0.04 0.00 0.00 0.00 0.00 51.96 53.31 1dm3 s ALA 122 Cb 0.16 -3.55 0.07 0.00 0.00 0.00 0.00 23.12 19.79 1dm3 s ALA 122 CO 0.26 -0.70 0.95 -1.25 0.00 0.00 0.00 175.76 175.03 1dm3 s PRO 123 N 1.50 2.16 0.02 0.00 0.04 -1.26 -4.69 135.00 132.76 1dm3 s PRO 123 Ca 0.64 -0.53 -0.04 0.00 0.04 0.00 0.00 61.00 61.11 1dm3 s PRO 123 Cb -0.35 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 1dm3 s PRO 123 CO 0.29 -1.16 0.23 -1.01 0.04 0.00 0.00 177.00 175.39 1dm3 s HIS 124 N -3.12 3.55 0.23 0.56 3.76 -1.26 -1.67 115.29 117.34 1dm3 s HIS 124 Ca 0.61 0.43 -0.08 0.00 -0.15 0.00 0.00 55.06 55.87 1dm3 s HIS 124 Cb -0.10 -1.88 -0.02 0.00 1.11 0.00 0.00 32.58 31.69 1dm3 s HIS 124 CO 0.43 0.61 0.33 0.00 -0.85 0.00 0.00 174.74 175.26 1dm3 s ALA 126 N -4.07 -1.39 -0.37 0.00 0.00 -1.26 -0.32 121.76 114.35 1dm3 s ALA 126 Ca 0.30 1.29 -0.24 0.00 0.00 0.00 0.00 51.96 53.30 1dm3 s ALA 126 Cb 0.03 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.67 1dm3 s ALA 126 CO 0.10 -0.30 0.85 -1.58 0.00 0.00 0.00 175.76 174.84 1dm3 s HIS 127 N -0.41 3.10 -0.06 0.00 2.46 -1.26 -4.90 115.29 114.21 1dm3 s HIS 127 Ca -0.06 0.65 0.09 0.00 0.47 0.00 0.00 55.06 56.21 1dm3 s HIS 127 Cb -0.03 -3.51 0.14 0.00 -0.13 0.00 0.00 32.58 29.04 1dm3 s HIS 127 CO 0.04 -0.78 1.03 1.28 -2.47 0.00 0.00 174.74 173.84 1dm3 n LEU 128 N 6.58 1.37 -0.01 8.88 4.77 -1.26 -4.79 117.00 132.53 1dm3 n LEU 128 Ca 0.05 -2.03 -0.09 0.00 -0.03 0.00 0.00 56.01 53.91 1dm3 n LEU 128 Cb 0.48 -0.20 0.07 0.00 -2.33 0.00 0.00 43.42 41.44 1dm3 n LEU 128 CO 0.56 0.48 0.54 0.03 -1.33 0.00 0.00 177.39 177.66 1dm3 h ARG 129 N 0.00 0.59 0.00 3.23 3.08 -2.07 -2.88 114.38 116.33 1dm3 h ARG 129 Ca 0.00 -0.33 -0.12 0.00 0.07 0.00 0.00 59.98 59.60 1dm3 h ARG 129 Cb 1.06 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 1dm3 h ARG 129 CO 0.00 0.93 -0.58 0.78 -1.07 0.00 0.00 179.97 180.03 1dm3 h GLY 130 N 1.04 0.00 0.00 0.04 0.00 -2.02 -3.50 103.07 98.63 1dm3 h GLY 130 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1dm3 h GLY 130 CO 0.09 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.24 1dm3 n GLY 131 N 0.20 -0.22 3.05 4.60 0.00 -1.09 -4.88 105.19 106.86 1dm3 n GLY 131 Ca -0.01 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.38 2.47 0.24 1.61 1.01 -1.26 -4.99 120.40 117.11 1dm3 s VAL 132 Ca 0.00 -2.15 -0.03 0.00 0.00 0.00 0.00 61.98 59.80 1dm3 s VAL 132 Cb 0.00 -2.73 0.09 0.00 0.00 0.00 0.00 36.38 33.74 1dm3 s VAL 132 CO 0.00 -0.51 1.72 0.11 0.00 0.00 0.00 175.10 176.42 1dm3 h LYS 133 N 7.73 0.84 -2.34 2.72 1.79 -2.02 -3.45 116.57 121.85 1dm3 h LYS 133 Ca -0.09 -0.25 -0.08 0.00 -2.18 0.00 0.00 60.65 58.06 1dm3 h LYS 133 Cb 1.03 -0.09 -0.22 0.00 -1.58 0.00 0.00 32.23 31.37 1dm3 h LYS 133 CO 0.54 0.86 -0.03 1.41 -1.08 0.00 0.00 179.45 181.15 1dm3 s MET 134 N -4.93 0.69 0.00 3.15 0.00 -1.26 -5.16 119.30 111.78 1dm3 s MET 134 Ca -0.10 0.78 0.00 0.00 0.00 0.00 0.00 55.69 56.37 1dm3 s MET 134 Cb 0.14 0.33 0.00 0.00 0.00 0.00 0.00 34.83 35.31 1dm3 s MET 134 CO 0.82 -0.09 0.00 0.41 0.00 0.00 0.00 175.02 176.17 1dm3 n GLY 135 N 2.71 2.02 3.82 2.11 0.00 -1.26 -5.03 105.19 109.55 1dm3 n GLY 135 Ca -0.14 -2.01 -0.31 0.00 0.00 0.00 0.00 46.02 43.56 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 5.41 0.02 1.61 1.01 -1.26 -5.05 116.67 118.41 1dm3 s ASP 136 Ca 0.00 1.65 -0.10 0.00 0.71 0.00 0.00 52.55 54.81 1dm3 s ASP 136 Cb 0.00 -2.50 0.01 0.00 1.01 0.00 0.00 42.92 41.44 1dm3 s ASP 136 CO 0.00 -1.42 0.20 0.72 0.21 0.00 0.00 175.17 174.88 1dm3 s PHE 137 N -2.95 0.01 -0.01 4.23 -0.12 -1.26 -5.15 117.98 112.71 1dm3 s PHE 137 Ca 0.59 -0.14 -0.18 0.00 -0.05 0.00 0.00 56.93 57.14 1dm3 s PHE 137 Cb -0.14 -0.01 -0.05 0.00 -0.63 0.00 0.00 43.02 42.18 1dm3 s PHE 137 CO 0.52 -0.39 0.52 0.15 -0.05 0.00 0.00 175.22 175.98 1dm3 s LYS 138 N -2.05 4.21 -0.26 1.99 1.02 -1.26 -5.05 119.74 118.34 1dm3 s LYS 138 Ca -0.09 0.60 -0.17 0.00 0.02 0.00 0.00 55.97 56.33 1dm3 s LYS 138 Cb -0.03 -3.32 -0.03 0.00 -0.52 0.00 0.00 37.83 33.93 1dm3 s LYS 138 CO -0.01 0.44 0.48 -1.64 -0.92 0.00 0.00 175.35 173.70 1dm3 s MET 139 N -0.38 4.06 -0.13 1.68 -1.94 -1.26 -4.76 119.30 116.56 1dm3 s MET 139 Ca 0.28 0.25 -0.16 0.00 -1.71 0.00 0.00 55.69 54.35 1dm3 s MET 139 Cb -0.17 -3.65 -0.04 0.00 2.01 0.00 0.00 34.83 32.97 1dm3 s MET 139 CO 0.15 -0.33 0.40 0.42 -0.01 0.00 0.00 175.02 175.66 1dm3 s ILE 140 N 2.23 5.23 -0.58 2.53 1.09 0.56 -4.81 121.20 127.47 1dm3 s ILE 140 Ca 0.20 0.79 -0.28 0.00 -1.10 0.00 0.00 60.65 60.26 1dm3 s ILE 140 Cb -0.16 -3.74 0.01 0.00 -1.06 0.00 0.00 42.46 37.51 1dm3 s ILE 140 CO 0.09 0.35 1.46 -0.62 -0.10 0.00 0.00 174.94 176.13 1dm3 s ASP 141 N 0.54 6.03 0.42 3.58 -1.08 -1.26 0.05 116.67 124.95 1dm3 s ASP 141 Ca 0.22 0.25 0.08 0.00 -0.52 0.00 0.00 52.55 52.58 1dm3 s ASP 141 Cb -0.14 -2.54 0.90 0.00 -1.46 0.00 0.00 42.92 39.67 1dm3 s ASP 141 CO 0.08 -1.80 2.06 0.71 0.52 0.00 0.00 175.17 176.74 1dm3 h THR 142 N 6.41 1.10 -0.67 1.71 1.35 -1.63 -0.89 112.91 120.28 1dm3 h THR 142 Ca -0.27 -0.21 0.04 0.00 -0.55 0.00 0.00 66.41 65.42 1dm3 h THR 142 Cb 1.10 0.61 -0.05 0.00 -1.73 0.00 0.00 68.15 68.07 1dm3 h THR 142 CO 1.19 0.10 0.40 -0.03 -0.25 0.00 0.00 175.52 176.93 1dm3 h MET 143 N 0.47 0.73 -0.03 4.72 1.85 -1.84 -1.50 114.93 119.33 1dm3 h MET 143 Ca 0.13 -0.04 -0.09 0.00 -0.61 0.00 0.00 59.70 59.08 1dm3 h MET 143 Cb -0.02 -0.16 0.01 0.00 0.43 0.00 0.00 31.60 31.85 1dm3 h MET 143 CO -0.02 0.48 -0.32 0.82 -0.40 0.00 0.00 176.91 177.46 1dm3 h ILE 144 N 0.75 1.47 0.76 1.77 1.08 -1.60 -1.82 117.51 119.93 1dm3 h ILE 144 Ca 0.29 -1.84 -0.04 0.00 -0.39 0.00 0.00 64.86 62.88 1dm3 h ILE 144 Cb 0.11 2.52 0.01 0.00 -3.07 0.00 0.00 36.82 36.39 1dm3 h ILE 144 CO -0.14 0.52 -0.37 0.50 -0.69 0.00 0.00 178.15 177.97 1dm3 h LYS 145 N -0.29 -0.99 0.00 2.37 1.63 -1.28 -0.59 116.57 117.42 1dm3 h LYS 145 Ca -0.03 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1dm3 h LYS 145 Cb 1.02 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 1dm3 h LYS 145 CO 0.07 -0.64 -0.22 -0.44 -3.45 0.00 0.00 179.45 174.76 1dm3 h ASP 146 N -1.11 0.00 0.00 4.20 3.32 -1.45 -3.35 116.42 118.04 1dm3 h ASP 146 Ca -0.10 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 1dm3 h ASP 146 Cb 0.80 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 1dm3 h ASP 146 CO 0.17 0.01 -1.29 0.61 -1.72 0.00 0.00 179.24 177.02 1dm3 n GLY 147 N 1.18 -0.20 0.12 2.75 0.00 -0.71 -4.89 105.19 103.44 1dm3 n GLY 147 Ca 0.04 -0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.18 1.48 -4.24 0.99 4.77 -0.38 -4.99 117.00 112.44 1dm3 n LEU 148 Ca -0.07 -1.95 -0.33 0.00 -0.03 0.00 0.00 56.01 53.62 1dm3 n LEU 148 Cb 0.63 -0.17 -0.15 0.00 -2.33 0.00 0.00 43.42 41.41 1dm3 n LEU 148 CO 0.09 0.46 -0.48 -0.89 -1.33 0.00 0.00 177.39 175.24 1dm3 s THR 149 N -1.40 2.64 0.20 -5.08 2.01 -0.37 -1.71 115.64 111.94 1dm3 s THR 149 Ca 0.12 -0.77 -0.31 0.00 0.31 0.00 0.00 61.69 61.05 1dm3 s THR 149 Cb 0.11 -2.13 -0.10 0.00 0.01 0.00 0.00 72.50 70.39 1dm3 s THR 149 CO 0.01 0.51 1.52 -0.62 -0.69 0.00 0.00 174.62 175.35 1dm3 s ASP 150 N 0.99 6.59 0.09 3.53 2.15 0.31 -4.89 116.67 125.44 1dm3 s ASP 150 Ca -0.02 2.66 0.26 0.00 0.43 0.00 0.00 52.55 55.88 1dm3 s ASP 150 Cb -0.15 -2.61 1.01 0.00 -0.30 0.00 0.00 42.92 40.87 1dm3 s ASP 150 CO -0.03 -0.79 1.81 0.00 -0.17 0.00 0.00 175.17 175.99 1dm3 n ALA 151 N 3.26 2.18 -0.09 3.66 0.00 -1.26 -1.35 120.51 126.91 1dm3 n ALA 151 Ca 0.11 -0.05 -0.23 0.00 0.00 0.00 0.00 53.44 53.26 1dm3 n ALA 151 Cb 0.39 -1.43 -0.12 0.00 0.00 0.00 0.00 19.45 18.29 1dm3 n ALA 151 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1dm3 n PHE 152 N -1.80 0.74 0.98 0.00 3.72 -1.26 -4.55 117.46 115.29 1dm3 n PHE 152 Ca 0.06 0.26 0.11 0.00 -0.05 0.00 0.00 57.45 57.82 1dm3 n PHE 152 Cb 0.34 -1.08 -0.01 0.00 -0.94 0.00 0.00 39.48 37.79 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 -4.08 0.00 -0.62 1.38 4.02 -1.25 -4.98 117.16 111.64 1dm3 n TYR 153 Ca -0.39 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.50 1dm3 n TYR 153 Cb 0.84 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.16 1dm3 n TYR 153 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1dm3 n GLY 154 N 1.41 1.14 4.00 2.72 0.00 -0.45 -5.00 105.19 109.01 1dm3 n GLY 154 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.98 2.43 0.64 1.61 -0.85 -1.25 -4.69 117.35 112.26 1dm3 s TYR 155 Ca 0.00 -0.32 -0.11 0.00 -0.52 0.00 0.00 57.07 56.12 1dm3 s TYR 155 Cb 0.00 -2.54 -0.02 0.00 0.38 0.00 0.00 41.96 39.78 1dm3 s TYR 155 CO 0.00 -0.85 1.04 -1.58 -1.52 0.00 0.00 175.55 172.64 1dm3 s HIS 156 N -2.63 3.46 0.26 -3.49 5.65 -1.26 0.11 115.29 117.40 1dm3 s HIS 156 Ca 0.58 1.33 -0.01 0.00 0.25 0.00 0.00 55.06 57.21 1dm3 s HIS 156 Cb -0.09 -2.77 0.51 0.00 -1.18 0.00 0.00 32.58 29.05 1dm3 s HIS 156 CO 0.37 -0.87 1.78 0.52 -0.65 0.00 0.00 174.74 175.90 1dm3 h MET 157 N -0.45 0.68 -0.87 2.88 0.00 -1.70 -0.53 114.93 114.94 1dm3 h MET 157 Ca -0.44 -0.04 0.21 0.00 0.00 0.00 0.00 59.70 59.43 1dm3 h MET 157 Cb 1.20 -0.15 -0.12 0.00 0.00 0.00 0.00 31.60 32.52 1dm3 h MET 157 CO 0.60 0.45 0.35 0.78 0.00 0.00 0.00 176.91 179.10 1dm3 h GLY 158 N 0.70 1.44 1.04 8.32 0.00 -1.92 0.10 103.07 112.75 1dm3 h GLY 158 Ca 0.46 -0.14 -0.08 0.00 0.00 0.00 0.00 47.33 47.57 1dm3 h GLY 158 CO -0.33 -0.26 0.07 -0.84 0.00 0.00 0.00 176.54 175.19 1dm3 h THR 159 N 0.37 1.26 -0.47 4.70 2.02 -1.46 -0.63 112.91 118.70 1dm3 h THR 159 Ca 0.53 -1.03 0.02 0.00 0.77 0.00 0.00 66.41 66.71 1dm3 h THR 159 Cb 1.00 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 1dm3 h THR 159 CO -0.53 0.38 0.31 0.71 0.37 0.00 0.00 175.52 176.76 1dm3 h THR 160 N 0.90 1.07 -0.31 3.16 1.35 -0.72 0.36 112.91 118.72 1dm3 h THR 160 Ca 0.18 -0.19 -0.04 0.00 -0.55 0.00 0.00 66.41 65.80 1dm3 h THR 160 Cb 0.45 0.46 -0.01 0.00 -1.73 0.00 0.00 68.15 67.32 1dm3 h THR 160 CO 0.02 0.10 0.02 0.00 -0.25 0.00 0.00 175.52 175.41 1dm3 h ALA 161 N 1.72 0.42 -0.84 6.62 0.00 -0.34 -2.51 119.26 124.33 1dm3 h ALA 161 Ca 0.18 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1dm3 h ALA 161 Cb 0.04 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 1dm3 h ALA 161 CO -0.04 0.14 0.50 0.93 0.00 0.00 0.00 179.25 180.78 1dm3 h GLU 162 N 0.34 0.83 -0.59 0.00 4.39 0.11 0.56 114.58 120.23 1dm3 h GLU 162 Ca 0.09 -0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.83 1dm3 h GLU 162 Cb 0.40 -0.19 -0.07 0.00 -0.10 0.00 0.00 28.75 28.80 1dm3 h GLU 162 CO 0.01 0.55 0.23 -0.91 -1.16 0.00 0.00 179.01 177.73 1dm3 h ASN 163 N 0.86 0.24 -0.06 1.42 2.35 -0.44 -1.02 115.58 118.92 1dm3 h ASN 163 Ca 0.40 0.07 -0.13 0.00 -0.55 0.00 0.00 56.30 56.09 1dm3 h ASN 163 Cb 0.31 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1dm3 h ASN 163 CO -0.22 0.15 -0.39 0.58 -1.65 0.00 0.00 177.43 175.89 1dm3 h VAL 164 N 0.41 1.30 0.60 2.81 2.07 -0.87 -1.82 116.25 120.75 1dm3 h VAL 164 Ca 0.29 -1.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 1dm3 h VAL 164 Cb 0.34 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1dm3 h VAL 164 CO -0.29 0.49 -0.41 0.00 0.02 0.00 0.00 177.57 177.39 1dm3 h ALA 165 N 1.09 -1.01 -0.41 1.67 0.00 0.23 0.09 119.26 120.93 1dm3 h ALA 165 Ca 0.04 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1dm3 h ALA 165 Cb 0.89 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1dm3 h ALA 165 CO 0.08 -1.09 0.18 0.87 0.00 0.00 0.00 179.25 179.29 1dm3 h LYS 166 N -0.97 0.35 -0.87 0.00 1.57 -1.24 0.19 116.57 115.60 1dm3 h LYS 166 Ca -0.07 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1dm3 h LYS 166 Cb 0.80 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.99 1dm3 h LYS 166 CO 0.05 0.23 0.47 0.37 -0.57 0.00 0.00 179.45 180.00 1dm3 h GLN 167 N 0.36 1.23 -0.30 3.15 4.15 -1.22 -2.62 115.11 119.86 1dm3 h GLN 167 Ca 0.18 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1dm3 h GLN 167 Cb 0.13 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.58 1dm3 h GLN 167 CO -0.16 0.91 0.00 0.91 -1.93 0.00 0.00 178.83 178.56 1dm3 n TRP 168 N -4.34 0.38 -3.85 3.99 7.02 0.01 -4.96 117.44 115.68 1dm3 n TRP 168 Ca 0.09 -0.19 -0.31 0.00 -1.02 0.00 0.00 57.50 56.07 1dm3 n TRP 168 Cb 0.11 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.01 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 0.97 -1.99 -3.39 -0.99 6.02 0.52 -4.93 117.38 113.60 1dm3 n GLN 169 Ca 0.18 0.38 -0.44 0.00 -0.01 0.00 0.00 57.00 57.11 1dm3 n GLN 169 Cb 0.48 -4.10 -0.08 0.00 1.02 0.00 0.00 30.24 27.56 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 -6.82 5.63 1.03 1.08 1.43 -0.37 -5.03 118.68 115.64 1dm3 s LEU 170 Ca 0.27 -1.33 -0.12 0.00 -1.03 0.00 0.00 54.13 51.91 1dm3 s LEU 170 Cb -0.11 -2.18 0.21 0.00 0.03 0.00 0.00 46.19 44.14 1dm3 s LEU 170 CO 0.89 -0.65 1.07 -0.94 0.23 0.00 0.00 176.35 176.95 1dm3 s SER 171 N 2.61 2.16 0.13 2.29 1.04 -1.26 -4.78 113.70 115.89 1dm3 s SER 171 Ca 0.04 1.55 -0.19 0.00 0.48 0.00 0.00 55.95 57.83 1dm3 s SER 171 Cb -0.24 -2.23 -0.04 0.00 0.10 0.00 0.00 66.02 63.61 1dm3 s SER 171 CO 0.07 -3.47 1.77 -0.09 0.98 0.00 0.00 173.24 172.49 1dm3 h ARG 172 N -2.12 0.35 -0.13 4.02 9.65 -1.97 -2.31 114.38 121.87 1dm3 h ARG 172 Ca -0.55 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.27 1dm3 h ARG 172 Cb 1.31 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.80 1dm3 h ARG 172 CO 0.51 0.25 -0.08 -0.44 2.80 0.00 0.00 179.97 183.02 1dm3 h ASP 173 N 0.35 0.18 -0.14 -3.80 3.32 -1.95 0.32 116.42 114.70 1dm3 h ASP 173 Ca 0.10 -0.03 -0.21 0.00 0.02 0.00 0.00 57.03 56.91 1dm3 h ASP 173 Cb -0.02 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.50 1dm3 h ASP 173 CO -0.02 0.29 -0.73 -0.08 -1.72 0.00 0.00 179.24 176.99 1dm3 h GLU 174 N 0.20 0.75 -0.11 3.56 4.81 -1.86 -1.04 114.58 120.88 1dm3 h GLU 174 Ca 0.04 -0.61 -0.09 0.00 -0.13 0.00 0.00 59.36 58.57 1dm3 h GLU 174 Cb 0.26 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1dm3 h GLU 174 CO 0.01 1.22 -0.29 1.96 -0.73 0.00 0.00 179.01 181.18 1dm3 h GLN 175 N 0.46 0.39 -0.62 1.92 4.20 -0.94 -2.50 115.11 118.01 1dm3 h GLN 175 Ca -0.05 -0.28 0.06 0.00 0.06 0.00 0.00 58.65 58.44 1dm3 h GLN 175 Cb 1.36 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 29.13 1dm3 h GLN 175 CO 0.15 0.89 0.33 -0.44 -0.67 0.00 0.00 178.83 179.09 1dm3 h ASP 176 N -0.04 0.46 -0.28 1.46 3.32 -0.43 0.26 116.42 121.17 1dm3 h ASP 176 Ca -0.01 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.11 1dm3 h ASP 176 Cb 0.91 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.38 1dm3 h ASP 176 CO 0.06 0.30 0.10 0.00 -1.72 0.00 0.00 179.24 177.99 1dm3 h ALA 177 N 1.34 0.32 -0.58 3.45 0.00 -1.15 -1.51 119.26 121.12 1dm3 h ALA 177 Ca 0.28 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.27 1dm3 h ALA 177 Cb 0.20 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1dm3 h ALA 177 CO -0.19 -0.30 0.31 0.35 0.00 0.00 0.00 179.25 179.41 1dm3 h PHE 178 N 0.23 0.56 0.03 0.00 3.04 -0.76 -2.26 116.94 117.78 1dm3 h PHE 178 Ca 0.12 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.10 1dm3 h PHE 178 Cb 0.09 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.42 1dm3 h PHE 178 CO -0.13 0.27 -0.06 0.00 -2.02 0.00 0.00 178.31 176.37 1dm3 h ALA 179 N 1.31 -0.09 -0.26 2.41 0.00 -0.45 -1.82 119.26 120.36 1dm3 h ALA 179 Ca 0.26 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.21 1dm3 h ALA 179 Cb 0.16 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1dm3 h ALA 179 CO -0.17 -0.57 -0.02 0.28 0.00 0.00 0.00 179.25 178.77 1dm3 h VAL 180 N -0.12 0.79 -0.53 0.00 2.07 -1.08 -1.18 116.25 116.19 1dm3 h VAL 180 Ca 0.02 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.57 1dm3 h VAL 180 Cb 0.14 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1dm3 h VAL 180 CO -0.04 0.01 0.25 0.00 0.02 0.00 0.00 177.57 177.81 1dm3 h ALA 181 N 1.23 0.68 -0.12 1.67 0.00 -1.26 -0.09 119.26 121.37 1dm3 h ALA 181 Ca 0.12 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1dm3 h ALA 181 Cb 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1dm3 h ALA 181 CO -0.23 -0.11 -0.14 1.03 0.00 0.00 0.00 179.25 179.80 1dm3 h SER 182 N 0.48 0.17 0.18 0.00 0.87 -0.85 0.36 113.55 114.76 1dm3 h SER 182 Ca 0.24 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1dm3 h SER 182 Cb 0.19 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1dm3 h SER 182 CO -0.19 0.34 -0.09 1.56 -0.53 0.00 0.00 176.83 177.92 1dm3 h GLN 183 N 0.18 -0.24 -0.83 2.24 1.08 0.10 -0.02 115.11 117.63 1dm3 h GLN 183 Ca 0.04 0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.33 1dm3 h GLN 183 Cb 0.36 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.78 1dm3 h GLN 183 CO 0.02 0.14 0.49 -0.91 -0.95 0.00 0.00 178.83 177.63 1dm3 h ASN 184 N -0.69 0.75 0.35 1.46 -0.26 -0.92 0.58 115.58 116.85 1dm3 h ASN 184 Ca -0.03 0.03 -0.14 0.00 -0.56 0.00 0.00 56.30 55.60 1dm3 h ASN 184 Cb 0.49 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.61 1dm3 h ASN 184 CO 0.04 0.46 -0.59 0.11 -1.06 0.00 0.00 177.43 176.39 1dm3 h LYS 185 N 0.88 0.25 -0.03 0.81 1.57 -0.25 0.30 116.57 120.10 1dm3 h LYS 185 Ca 0.37 -0.17 -0.20 0.00 -1.87 0.00 0.00 60.65 58.79 1dm3 h LYS 185 Cb 0.24 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1dm3 h LYS 185 CO -0.20 0.77 -0.83 0.00 -0.57 0.00 0.00 179.45 178.62 1dm3 h ALA 186 N 1.20 0.52 -0.24 3.86 0.00 0.50 -2.39 119.26 122.71 1dm3 h ALA 186 Ca -0.00 -0.67 -0.18 0.00 0.00 0.00 0.00 54.91 54.05 1dm3 h ALA 186 Cb 1.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1dm3 h ALA 186 CO 0.09 0.83 -0.56 1.49 0.00 0.00 0.00 179.25 181.09 1dm3 h GLU 187 N 0.20 0.80 -0.25 0.00 4.22 0.17 -1.69 114.58 118.03 1dm3 h GLU 187 Ca -0.05 -0.55 -0.01 0.00 0.08 0.00 0.00 59.36 58.84 1dm3 h GLU 187 Cb 1.44 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 1dm3 h GLU 187 CO 0.14 1.17 0.12 0.00 -2.18 0.00 0.00 179.01 178.26 1dm3 h ALA 188 N 0.63 0.32 -0.45 2.92 0.00 -0.91 -1.15 119.26 120.63 1dm3 h ALA 188 Ca -0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1dm3 h ALA 188 Cb 1.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1dm3 h ALA 188 CO 0.12 -0.12 0.17 0.00 0.00 0.00 0.00 179.25 179.42 1dm3 h ALA 189 N 0.98 0.58 -0.57 0.00 0.00 -1.45 -2.14 119.26 116.66 1dm3 h ALA 189 Ca 0.09 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1dm3 h ALA 189 Cb 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1dm3 h ALA 189 CO -0.01 0.20 0.16 0.37 0.00 0.00 0.00 179.25 179.97 1dm3 h GLN 190 N 0.58 0.91 0.00 0.00 4.15 -1.19 -0.84 115.11 118.72 1dm3 h GLN 190 Ca 0.15 -0.21 -0.04 0.00 0.77 0.00 0.00 58.65 59.32 1dm3 h GLN 190 Cb 0.21 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1dm3 h GLN 190 CO -0.01 0.83 -0.19 0.87 -1.93 0.00 0.00 178.83 178.40 1dm3 h LYS 191 N 0.82 0.00 -0.09 1.69 1.57 -0.92 -2.42 116.57 117.21 1dm3 h LYS 191 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1dm3 h LYS 191 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1dm3 h LYS 191 CO -0.00 0.19 0.00 -0.25 -0.57 0.00 0.00 179.45 178.82 1dm3 n ASP 192 N -3.76 1.97 0.00 0.86 8.00 -0.83 -4.92 116.55 117.87 1dm3 n ASP 192 Ca -0.02 -1.69 0.00 0.00 0.71 0.00 0.00 54.79 53.80 1dm3 n ASP 192 Cb 0.29 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 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 1.22 0.41 0.07 0.44 0.00 -0.91 -4.94 105.19 101.48 1dm3 n GLY 193 Ca 0.17 -0.86 0.09 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.99 0.09 0.00 1.61 1.74 -0.35 -2.48 116.66 114.28 1dm3 n ARG 194 Ca 0.00 0.36 0.08 0.00 -0.77 0.00 0.00 57.85 57.53 1dm3 n ARG 194 Cb 0.00 -1.69 0.02 0.00 -1.02 0.00 0.00 32.46 29.77 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 -1.87 0.00 0.03 -1.55 3.72 -1.26 -4.61 117.46 111.93 1dm3 n PHE 195 Ca 0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.41 1dm3 n PHE 195 Cb 0.18 0.00 0.25 0.00 -0.94 0.00 0.00 39.48 38.97 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 2.27 0.45 -0.36 -1.08 3.64 -1.83 -1.93 116.57 117.74 1dm3 h LYS 196 Ca 0.00 -0.14 -0.15 0.00 -1.27 0.00 0.00 60.65 59.09 1dm3 h LYS 196 Cb 0.60 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1dm3 h LYS 196 CO 0.00 0.61 -0.37 -0.44 -2.27 0.00 0.00 179.45 176.98 1dm3 h ASP 197 N 0.41 0.94 -0.09 4.20 3.32 -1.81 -3.25 116.42 120.14 1dm3 h ASP 197 Ca 0.07 -0.47 -0.15 0.00 0.02 0.00 0.00 57.03 56.50 1dm3 h ASP 197 Cb 0.55 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1dm3 h ASP 197 CO 0.04 1.22 -0.45 1.05 -1.72 0.00 0.00 179.24 179.38 1dm3 h GLU 198 N 0.68 0.64 -6.92 3.56 4.11 -1.84 -3.44 114.58 111.38 1dm3 h GLU 198 Ca 0.06 -0.35 -0.49 0.00 0.07 0.00 0.00 59.36 58.64 1dm3 h GLU 198 Cb 0.96 0.02 0.02 0.00 0.50 0.00 0.00 28.75 30.25 1dm3 h GLU 198 CO 0.09 0.96 0.42 0.42 0.07 0.00 0.00 179.01 180.98 1dm3 s ILE 199 N -4.19 3.68 -0.20 -1.06 1.01 -0.73 -0.83 121.20 118.87 1dm3 s ILE 199 Ca -0.08 1.39 0.00 0.00 0.00 0.00 0.00 60.65 61.97 1dm3 s ILE 199 Cb 0.12 -3.77 0.05 0.00 0.01 0.00 0.00 42.46 38.86 1dm3 s ILE 199 CO 0.84 0.11 -0.08 0.54 0.00 0.00 0.00 174.94 176.36 1dm3 s VAL 200 N -1.52 1.46 0.38 2.92 0.11 -0.62 -4.84 120.40 118.30 1dm3 s VAL 200 Ca 0.54 -0.96 -0.25 0.00 -2.93 0.00 0.00 61.98 58.38 1dm3 s VAL 200 Cb -0.25 -1.62 -0.12 0.00 -1.53 0.00 0.00 36.38 32.86 1dm3 s VAL 200 CO 0.31 0.09 0.83 -2.65 -3.33 0.00 0.00 175.10 170.34 1dm3 n PRO 201 N 4.73 1.01 -4.82 1.54 -0.02 -1.26 -4.35 135.00 131.84 1dm3 n PRO 201 Ca -0.13 0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 61.38 1dm3 n PRO 201 Cb 0.46 -1.76 -0.16 0.00 -0.02 0.00 0.00 33.50 32.02 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 -1.28 2.68 -0.55 6.00 5.36 0.10 -4.90 117.98 125.39 1dm3 s PHE 202 Ca 0.62 -1.11 -0.23 0.00 -0.96 0.00 0.00 56.93 55.25 1dm3 s PHE 202 Cb -0.62 -1.80 0.05 0.00 -0.34 0.00 0.00 43.02 40.30 1dm3 s PHE 202 CO 0.58 -0.48 0.90 0.42 -1.46 0.00 0.00 175.22 175.18 1dm3 s ILE 203 N 0.62 4.45 -0.72 3.12 -1.09 -1.26 -0.40 121.20 125.92 1dm3 s ILE 203 Ca -0.11 0.14 -0.26 0.00 -2.23 0.00 0.00 60.65 58.19 1dm3 s ILE 203 Cb -0.16 -4.51 0.00 0.00 -1.58 0.00 0.00 42.46 36.21 1dm3 s ILE 203 CO 0.03 -1.09 1.61 -0.69 -1.23 0.00 0.00 174.94 173.57 1dm3 s VAL 204 N 3.77 3.55 -0.10 2.92 1.01 0.24 -4.91 120.40 126.88 1dm3 s VAL 204 Ca 0.28 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.11 1dm3 s VAL 204 Cb -0.14 -4.41 -0.07 0.00 0.00 0.00 0.00 36.38 31.76 1dm3 s VAL 204 CO 0.18 -1.36 2.11 0.29 0.00 0.00 0.00 175.10 176.31 1dm3 n LYS 205 N 9.21 2.38 -2.44 2.72 4.76 -1.26 -2.14 118.16 131.39 1dm3 n LYS 205 Ca 0.17 0.78 -0.12 0.00 -2.87 0.00 0.00 58.31 56.26 1dm3 n LYS 205 Cb 0.50 -3.12 0.01 0.00 -1.84 0.00 0.00 35.03 30.58 1dm3 n LYS 205 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dm3 n GLY 206 N 5.20 2.59 0.89 0.72 0.00 -1.22 -4.98 105.19 108.39 1dm3 n GLY 206 Ca 0.25 -2.22 -0.04 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.30 0.08 -1.50 1.61 0.00 -1.26 -4.65 116.66 109.63 1dm3 n ARG 207 Ca 0.02 0.03 -0.34 0.00 -0.00 0.00 0.00 57.85 57.57 1dm3 n ARG 207 Cb 0.31 -0.63 0.07 0.00 -0.00 0.00 0.00 32.46 32.20 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 -3.19 2.85 0.00 2.89 5.02 -1.26 -4.91 118.16 119.56 1dm3 n LYS 208 Ca -0.07 -3.46 0.00 0.00 -2.02 0.00 0.00 58.31 52.76 1dm3 n LYS 208 Cb 0.53 -2.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 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 -0.85 3.86 3.82 0.72 0.00 -1.26 -5.10 105.19 106.37 1dm3 n GLY 209 Ca 0.59 -1.35 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 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 6.98 -0.06 1.61 1.01 -1.26 -3.45 116.67 121.50 1dm3 s ASP 210 Ca 0.00 1.17 0.05 0.00 0.71 0.00 0.00 52.55 54.47 1dm3 s ASP 210 Cb 0.00 -2.32 -0.00 0.00 1.01 0.00 0.00 42.92 41.60 1dm3 s ASP 210 CO 0.00 0.29 -0.21 -0.63 0.21 0.00 0.00 175.17 174.83 1dm3 s ILE 211 N -1.11 1.75 -0.25 0.77 1.01 -0.91 -4.92 121.20 117.55 1dm3 s ILE 211 Ca 0.27 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 59.89 1dm3 s ILE 211 Cb -0.19 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 1dm3 s ILE 211 CO 0.17 0.49 0.39 -0.89 0.00 0.00 0.00 174.94 175.11 1dm3 s THR 212 N 0.11 5.17 -0.23 2.92 2.01 -1.26 0.81 115.64 125.17 1dm3 s THR 212 Ca -0.08 0.64 -0.05 0.00 0.31 0.00 0.00 61.69 62.50 1dm3 s THR 212 Cb -0.14 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 1dm3 s THR 212 CO 0.04 0.18 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.46 1dm3 s VAL 213 N 1.87 3.73 -0.00 3.82 1.01 0.46 -4.93 120.40 126.37 1dm3 s VAL 213 Ca 0.17 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1dm3 s VAL 213 Cb -0.15 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1dm3 s VAL 213 CO 0.09 0.40 0.55 -0.90 0.00 0.00 0.00 175.10 175.23 1dm3 n ASP 214 N 4.78 0.13 -4.09 3.32 5.68 -1.26 0.03 116.55 125.15 1dm3 n ASP 214 Ca -0.17 -1.10 -0.21 0.00 -0.50 0.00 0.00 54.79 52.81 1dm3 n ASP 214 Cb 0.51 -0.01 -0.15 0.00 -1.14 0.00 0.00 41.12 40.34 1dm3 n ASP 214 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1dm3 s ALA 215 N -0.07 1.04 -0.35 2.12 0.00 -1.26 -4.86 121.76 118.39 1dm3 s ALA 215 Ca 0.00 -0.57 -0.28 0.00 0.00 0.00 0.00 51.96 51.11 1dm3 s ALA 215 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 1dm3 s ALA 215 CO 0.00 0.24 1.97 -0.51 0.00 0.00 0.00 175.76 177.47 1dm3 s ASP 216 N -0.42 5.57 0.18 0.00 1.01 -1.26 -4.64 116.67 117.11 1dm3 s ASP 216 Ca 0.04 1.33 0.26 0.00 0.71 0.00 0.00 52.55 54.89 1dm3 s ASP 216 Cb -0.05 -2.52 0.76 0.00 1.01 0.00 0.00 42.92 42.12 1dm3 s ASP 216 CO -0.00 -1.96 1.71 -1.84 0.21 0.00 0.00 175.17 173.29 1dm3 n GLU 217 N 8.65 0.25 0.14 8.23 0.28 -1.09 -3.67 120.64 133.43 1dm3 n GLU 217 Ca 0.26 0.18 0.13 0.00 -0.16 0.00 0.00 57.16 57.56 1dm3 n GLU 217 Cb 0.48 -1.76 0.37 0.00 1.43 0.00 0.00 31.44 31.96 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 -3.93 -1.84 3.20 -1.80 -3.46 116.97 109.14 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 0.72 0.00 0.08 0.00 1.54 0.00 0.00 36.73 39.07 1dm3 h TYR 218 CO 0.00 0.00 0.63 0.42 -1.64 0.00 0.00 178.16 177.57 1dm3 s ILE 219 N -3.17 2.60 -0.17 1.81 1.01 -1.05 -4.77 121.20 117.45 1dm3 s ILE 219 Ca 0.09 0.56 -0.02 0.00 0.00 0.00 0.00 60.65 61.27 1dm3 s ILE 219 Cb 0.10 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.22 1dm3 s ILE 219 CO 0.59 0.10 -0.08 0.00 0.00 0.00 0.00 174.94 175.55 1dm3 s ARG 220 N -2.12 3.44 0.14 2.79 1.70 -1.26 -5.07 118.95 118.57 1dm3 s ARG 220 Ca 0.55 -0.63 -0.30 0.00 -0.47 0.00 0.00 55.73 54.88 1dm3 s ARG 220 Cb -0.39 -2.85 -0.07 0.00 -0.57 0.00 0.00 34.95 31.07 1dm3 s ARG 220 CO 0.51 0.04 1.12 -1.01 -1.08 0.00 0.00 175.30 174.88 1dm3 s HIS 221 N 0.84 3.55 -1.22 5.89 3.76 -1.26 -3.73 115.29 123.12 1dm3 s HIS 221 Ca -0.02 1.53 -0.03 0.00 -0.15 0.00 0.00 55.06 56.38 1dm3 s HIS 221 Cb -0.15 -3.31 0.00 0.00 1.11 0.00 0.00 32.58 30.24 1dm3 s HIS 221 CO 0.01 -0.76 0.41 0.41 -0.85 0.00 0.00 174.74 173.96 1dm3 n GLY 222 N 2.37 -0.25 3.69 -2.22 0.00 -1.26 -4.94 105.19 102.58 1dm3 n GLY 222 Ca 0.04 -0.10 -0.45 0.00 0.00 0.00 0.00 46.02 45.52 1dm3 n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dm3 n ALA 223 N -2.98 1.85 -2.74 4.61 0.00 -1.24 -4.98 120.51 115.02 1dm3 n ALA 223 Ca -0.10 0.43 -0.27 0.00 0.00 0.00 0.00 53.44 53.50 1dm3 n ALA 223 Cb 0.60 -2.41 -0.06 0.00 0.00 0.00 0.00 19.45 17.57 1dm3 n ALA 223 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1dm3 s THR 224 N 1.05 4.20 0.19 0.00 -4.23 -1.26 -4.95 115.64 110.64 1dm3 s THR 224 Ca 0.78 -1.18 -0.01 0.00 -1.18 0.00 0.00 61.69 60.10 1dm3 s THR 224 Cb -0.62 -3.12 -0.08 0.00 1.34 0.00 0.00 72.50 70.02 1dm3 s THR 224 CO 0.36 -0.09 1.47 0.25 -0.54 0.00 0.00 174.62 176.08 1dm3 h LEU 225 N 2.61 0.47 -0.57 4.79 5.85 -1.96 -2.96 115.31 123.54 1dm3 h LEU 225 Ca -0.47 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 57.99 1dm3 h LEU 225 Cb 1.20 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 1dm3 h LEU 225 CO 0.61 1.01 0.33 0.44 -0.34 0.00 0.00 178.44 180.49 1dm3 h ASP 226 N 0.29 0.52 0.06 1.25 3.32 -1.98 -0.18 116.42 119.70 1dm3 h ASP 226 Ca -0.02 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 1dm3 h ASP 226 Cb 1.23 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1dm3 h ASP 226 CO 0.12 0.36 -0.33 0.77 -1.72 0.00 0.00 179.24 178.44 1dm3 h SER 227 N 0.65 0.40 -0.52 6.45 4.64 -1.98 -2.90 113.55 120.30 1dm3 h SER 227 Ca 0.23 -0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 61.33 1dm3 h SER 227 Cb 0.06 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 1dm3 h SER 227 CO -0.12 0.71 0.04 -0.03 -0.87 0.00 0.00 176.83 176.56 1dm3 h MET 228 N 0.34 0.88 0.00 4.77 -1.53 -1.19 -3.12 114.93 115.09 1dm3 h MET 228 Ca 0.04 -0.26 0.00 0.00 -3.44 0.00 0.00 59.70 56.04 1dm3 h MET 228 Cb 0.74 -0.09 0.00 0.00 -0.55 0.00 0.00 31.60 31.70 1dm3 h MET 228 CO 0.06 0.89 0.00 0.00 0.14 0.00 0.00 176.91 178.00 1dm3 n ALA 229 N -2.43 2.43 0.93 0.39 0.00 -0.15 -3.35 120.51 118.33 1dm3 n ALA 229 Ca 0.01 -0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.43 1dm3 n ALA 229 Cb 0.29 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 1dm3 n ALA 229 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1dm3 n LYS 230 N -1.35 0.05 -2.37 0.00 5.02 -1.11 -4.95 118.16 113.45 1dm3 n LYS 230 Ca 0.12 -0.01 -0.36 0.00 -2.02 0.00 0.00 58.31 56.04 1dm3 n LYS 230 Cb 0.27 -1.51 -0.02 0.00 -0.02 0.00 0.00 35.03 33.76 1dm3 n LYS 230 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1dm3 s LEU 231 N -3.13 3.99 0.22 -0.35 1.43 -1.21 -5.04 118.68 114.60 1dm3 s LEU 231 Ca 0.08 2.18 -0.07 0.00 -1.03 0.00 0.00 54.13 55.28 1dm3 s LEU 231 Cb 0.16 -4.31 -0.06 0.00 0.03 0.00 0.00 46.19 42.01 1dm3 s LEU 231 CO 0.83 -0.83 0.50 -0.13 0.23 0.00 0.00 176.35 176.95 1dm3 s ARG 232 N -2.78 3.71 0.23 1.70 0.52 -1.26 -5.02 118.95 116.05 1dm3 s ARG 232 Ca 0.64 0.11 -0.31 0.00 -0.52 0.00 0.00 55.73 55.64 1dm3 s ARG 232 Cb -0.25 -2.70 -0.11 0.00 0.52 0.00 0.00 34.95 32.41 1dm3 s ARG 232 CO 0.30 0.33 1.65 -2.14 0.02 0.00 0.00 175.30 175.46 1dm3 s PRO 233 N -2.96 4.14 0.20 3.54 0.02 -1.26 -4.50 135.00 134.19 1dm3 s PRO 233 Ca 0.45 2.55 0.21 0.00 0.02 0.00 0.00 61.00 64.23 1dm3 s PRO 233 Cb -0.11 -3.07 0.01 0.00 0.02 0.00 0.00 34.50 31.35 1dm3 s PRO 233 CO 0.24 -0.68 1.08 0.00 -0.33 0.00 0.00 177.00 177.32 1dm3 h ALA 234 N 6.12 0.61 0.00 -1.55 0.00 -1.69 -3.43 119.26 119.32 1dm3 h ALA 234 Ca -0.44 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 1dm3 h ALA 234 Cb 1.21 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1dm3 h ALA 234 CO 0.89 0.25 -1.28 1.19 0.00 0.00 0.00 179.25 180.31 1dm3 n PHE 235 N -2.81 0.00 -3.65 0.00 3.72 -1.26 -4.94 117.46 108.51 1dm3 n PHE 235 Ca -0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.00 1dm3 n PHE 235 Cb 0.63 -0.18 -0.12 0.00 -0.94 0.00 0.00 39.48 38.87 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 -4.81 5.56 0.41 4.37 -1.08 -1.26 -4.95 116.67 114.91 1dm3 s ASP 236 Ca -0.07 -0.54 0.21 0.00 -0.52 0.00 0.00 52.55 51.63 1dm3 s ASP 236 Cb 0.02 -2.00 1.16 0.00 -1.46 0.00 0.00 42.92 40.64 1dm3 s ASP 236 CO 0.10 -0.20 1.76 0.11 0.52 0.00 0.00 175.17 177.46 1dm3 h LYS 237 N 8.36 0.33 -0.67 4.34 6.56 -1.92 0.80 116.57 134.37 1dm3 h LYS 237 Ca -0.32 -0.02 -0.47 0.00 -1.06 0.00 0.00 60.65 58.78 1dm3 h LYS 237 Cb 1.14 -0.07 -0.32 0.00 -0.57 0.00 0.00 32.23 32.41 1dm3 h LYS 237 CO 0.62 0.22 -0.42 -0.85 -2.06 0.00 0.00 179.45 176.95 1dm3 n GLU 238 N -4.60 3.04 -0.06 3.15 0.28 -1.26 -4.72 120.64 116.47 1dm3 n GLU 238 Ca 0.26 -3.82 0.00 0.00 -0.16 0.00 0.00 57.16 53.44 1dm3 n GLU 238 Cb 0.95 -2.16 0.00 0.00 1.43 0.00 0.00 31.44 31.66 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 -0.84 -0.46 0.00 -1.84 0.00 0.28 -5.07 105.19 97.27 1dm3 n GLY 239 Ca 0.43 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.71 0.00 -3.13 2.61 5.66 -1.26 -4.78 114.28 112.67 1dm3 n THR 240 Ca 0.00 -0.12 -0.39 0.00 -3.05 0.00 0.00 64.05 60.48 1dm3 n THR 240 Cb 0.00 0.62 -0.05 0.00 -1.55 0.00 0.00 70.33 69.34 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 -0.78 4.89 0.26 1.08 1.01 -1.26 -4.80 120.40 120.80 1dm3 s VAL 241 Ca 0.00 1.37 0.02 0.00 0.00 0.00 0.00 61.98 63.37 1dm3 s VAL 241 Cb 0.00 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 1dm3 s VAL 241 CO 0.00 0.38 0.08 0.35 0.00 0.00 0.00 175.10 175.91 1dm3 n THR 242 N 2.93 0.00 0.16 3.92 -2.24 -1.26 -1.85 114.28 115.93 1dm3 n THR 242 Ca -0.05 -1.48 0.01 0.00 -2.27 0.00 0.00 64.05 60.26 1dm3 n THR 242 Cb 0.51 0.51 0.27 0.00 -2.10 0.00 0.00 70.33 69.52 1dm3 n THR 242 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dm3 h ALA 243 N 1.40 1.15 0.00 6.98 0.00 -1.91 -2.64 119.26 124.24 1dm3 h ALA 243 Ca -0.20 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 1dm3 h ALA 243 Cb 0.76 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1dm3 h ALA 243 CO 0.32 0.61 -0.26 0.78 0.00 0.00 0.00 179.25 180.70 1dm3 h GLY 244 N 1.55 0.00 -0.96 0.00 0.00 -1.94 -3.27 103.07 98.44 1dm3 h GLY 244 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dm3 h GLY 244 CO 0.06 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.76 1dm3 n ASN 245 N -3.20 3.22 -4.46 0.19 0.23 -1.16 -4.84 115.26 105.24 1dm3 n ASN 245 Ca 0.02 -2.93 -0.25 0.00 -0.53 0.00 0.00 54.58 50.89 1dm3 n ASN 245 Cb 0.60 -0.46 -0.10 0.00 -2.08 0.00 0.00 39.78 37.74 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 -2.64 2.70 1.20 -2.53 0.00 -1.01 -0.60 121.76 118.87 1dm3 s ALA 246 Ca 0.36 -1.78 -0.19 0.00 0.00 0.00 0.00 51.96 50.34 1dm3 s ALA 246 Cb 0.29 -0.31 0.28 0.00 0.00 0.00 0.00 23.12 23.38 1dm3 s ALA 246 CO 0.07 0.33 1.12 -1.54 0.00 0.00 0.00 175.76 175.74 1dm3 s SER 247 N -3.22 0.98 0.04 0.00 1.04 0.83 -4.75 113.70 108.62 1dm3 s SER 247 Ca 0.27 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.31 1dm3 s SER 247 Cb -0.06 -0.83 0.00 0.00 0.10 0.00 0.00 66.02 65.23 1dm3 s SER 247 CO 0.13 -4.09 0.02 0.61 0.98 0.00 0.00 173.24 170.90 1dm3 n GLY 248 N -1.07 3.43 3.64 7.32 0.00 -1.26 -5.00 105.19 112.25 1dm3 n GLY 248 Ca 0.13 -2.19 -0.37 0.00 0.00 0.00 0.00 46.02 43.59 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 4.10 0.21 0.99 1.43 -1.26 -3.87 118.68 120.27 1dm3 s LEU 249 Ca 0.01 0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 1dm3 s LEU 249 Cb -0.00 -2.16 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 1dm3 s LEU 249 CO 0.01 0.02 0.38 0.20 0.23 0.00 0.00 176.35 177.19 1dm3 s ASN 250 N 1.23 -0.04 0.25 2.29 -0.87 -1.26 -2.88 114.94 113.66 1dm3 s ASN 250 Ca 0.09 -0.93 0.10 0.00 -1.57 0.00 0.00 52.86 50.55 1dm3 s ASN 250 Cb -0.14 0.52 -0.04 0.00 -0.02 0.00 0.00 41.25 41.56 1dm3 s ASN 250 CO 0.06 -1.03 -0.05 -1.81 -2.57 0.00 0.00 177.10 171.71 1dm3 s ASP 251 N -3.01 4.33 0.00 -1.22 1.01 -0.90 -3.71 116.67 113.17 1dm3 s ASP 251 Ca 0.22 -0.69 0.00 0.00 0.71 0.00 0.00 52.55 52.78 1dm3 s ASP 251 Cb 0.01 -0.73 0.00 0.00 1.01 0.00 0.00 42.92 43.21 1dm3 s ASP 251 CO 0.06 0.03 0.00 0.61 0.21 0.00 0.00 175.17 176.07 1dm3 n GLY 252 N -0.67 2.00 3.34 0.21 0.00 -0.74 -1.38 105.19 107.95 1dm3 n GLY 252 Ca -0.07 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.13 -0.11 4.61 0.00 -1.26 -1.38 121.76 120.49 1dm3 s ALA 253 Ca 0.00 0.90 -0.18 0.00 0.00 0.00 0.00 51.96 52.68 1dm3 s ALA 253 Cb 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 23.12 22.91 1dm3 s ALA 253 CO 0.00 -0.27 0.45 0.00 0.00 0.00 0.00 175.76 175.94 1dm3 s ALA 254 N -0.72 -1.13 0.19 0.00 0.00 -0.58 -0.20 121.76 119.32 1dm3 s ALA 254 Ca -0.08 1.03 -0.15 0.00 0.00 0.00 0.00 51.96 52.76 1dm3 s ALA 254 Cb -0.03 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.68 1dm3 s ALA 254 CO 0.04 -0.25 0.46 0.00 0.00 0.00 0.00 175.76 176.01 1dm3 s ALA 255 N -0.39 -0.70 0.06 0.00 0.00 -0.40 -0.99 121.76 119.34 1dm3 s ALA 255 Ca -0.05 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 51.56 1dm3 s ALA 255 Cb -0.03 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 1dm3 s ALA 255 CO 0.03 -0.77 -0.14 0.00 0.00 0.00 0.00 175.76 174.88 1dm3 s ALA 256 N -3.90 1.17 -0.26 0.00 0.00 0.22 -2.05 121.76 116.94 1dm3 s ALA 256 Ca 0.11 -0.93 -0.09 0.00 0.00 0.00 0.00 51.96 51.05 1dm3 s ALA 256 Cb 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1dm3 s ALA 256 CO -0.02 0.19 0.13 -1.17 0.00 0.00 0.00 175.76 174.89 1dm3 s LEU 257 N -1.51 3.80 0.05 0.00 0.20 0.20 -1.36 118.68 120.06 1dm3 s LEU 257 Ca -0.01 -0.07 0.05 0.00 0.69 0.00 0.00 54.13 54.79 1dm3 s LEU 257 Cb -0.09 -2.04 -0.04 0.00 -0.43 0.00 0.00 46.19 43.60 1dm3 s LEU 257 CO 0.02 -0.02 -0.05 -0.76 -0.29 0.00 0.00 176.35 175.25 1dm3 s LEU 258 N 1.56 3.24 -0.02 -0.68 2.01 0.72 0.52 118.68 126.03 1dm3 s LEU 258 Ca 0.07 -0.21 -0.29 0.00 0.01 0.00 0.00 54.13 53.70 1dm3 s LEU 258 Cb -0.15 -1.93 0.11 0.00 0.01 0.00 0.00 46.19 44.22 1dm3 s LEU 258 CO 0.07 0.23 0.93 0.00 1.01 0.00 0.00 176.35 178.58 1dm3 s MET 259 N -1.87 0.77 0.87 1.70 0.23 -0.98 -2.25 119.30 117.78 1dm3 s MET 259 Ca 0.21 -0.29 -0.11 0.00 -1.03 0.00 0.00 55.69 54.46 1dm3 s MET 259 Cb -0.11 0.35 0.12 0.00 -1.53 0.00 0.00 34.83 33.66 1dm3 s MET 259 CO 0.12 -0.34 1.18 -1.54 -2.03 0.00 0.00 175.02 172.41 1dm3 s SER 260 N -2.46 3.15 0.26 -1.18 1.04 -1.26 -1.16 113.70 112.09 1dm3 s SER 260 Ca 0.06 2.28 -0.05 0.00 0.48 0.00 0.00 55.95 58.72 1dm3 s SER 260 Cb -0.01 -2.58 0.30 0.00 0.10 0.00 0.00 66.02 63.83 1dm3 s SER 260 CO -0.08 -2.96 1.88 -0.08 0.98 0.00 0.00 173.24 172.98 1dm3 h GLU 261 N -1.48 1.16 -0.32 4.02 4.81 -0.81 -2.00 114.58 119.96 1dm3 h GLU 261 Ca -0.44 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 58.63 1dm3 h GLU 261 Cb 1.28 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1dm3 h GLU 261 CO 0.43 0.84 0.07 0.00 -0.73 0.00 0.00 179.01 179.62 1dm3 h ALA 262 N 1.34 0.42 -0.34 2.92 0.00 -1.89 -1.40 119.26 120.31 1dm3 h ALA 262 Ca 0.30 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1dm3 h ALA 262 Cb 0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1dm3 h ALA 262 CO -0.05 0.09 0.03 1.49 0.00 0.00 0.00 179.25 180.81 1dm3 h GLU 263 N 0.35 0.12 -0.81 0.00 4.57 -1.81 0.30 114.58 117.30 1dm3 h GLU 263 Ca 0.10 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.30 1dm3 h GLU 263 Cb 0.31 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 1dm3 h GLU 263 CO 0.00 0.08 0.53 0.00 -1.18 0.00 0.00 179.01 178.45 1dm3 h ALA 264 N 1.28 1.48 -0.32 2.92 0.00 -1.20 -1.25 119.26 122.18 1dm3 h ALA 264 Ca 0.16 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1dm3 h ALA 264 Cb 0.21 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1dm3 h ALA 264 CO -0.25 0.45 -0.15 1.03 0.00 0.00 0.00 179.25 180.32 1dm3 h SER 265 N 1.03 0.69 -0.58 0.00 0.87 0.06 -0.64 113.55 114.98 1dm3 h SER 265 Ca 0.32 -0.41 0.11 0.00 -1.23 0.00 0.00 61.79 60.58 1dm3 h SER 265 Cb -0.01 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 1dm3 h SER 265 CO -0.09 0.94 0.39 0.03 -0.53 0.00 0.00 176.83 177.58 1dm3 h ARG 266 N 0.43 0.29 -0.28 2.24 3.08 0.55 -0.79 114.38 119.90 1dm3 h ARG 266 Ca 0.07 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1dm3 h ARG 266 Cb 0.68 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1dm3 h ARG 266 CO 0.05 0.19 0.00 0.54 -1.07 0.00 0.00 179.97 179.68 1dm3 n ARG 267 N -4.45 2.11 -2.19 0.04 1.74 -0.57 -4.95 116.66 108.38 1dm3 n ARG 267 Ca 0.10 -1.67 -0.16 0.00 -0.77 0.00 0.00 57.85 55.35 1dm3 n ARG 267 Cb 0.44 -1.45 -0.02 0.00 -1.02 0.00 0.00 32.46 30.41 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 1.31 -0.03 3.84 -0.13 0.00 -0.30 -4.99 105.19 104.87 1dm3 n GLY 268 Ca 0.17 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.75 5.04 -0.50 -0.61 1.01 -0.30 -5.04 121.20 118.04 1dm3 s ILE 269 Ca 0.00 0.81 -0.17 0.00 0.00 0.00 0.00 60.65 61.28 1dm3 s ILE 269 Cb 0.00 -3.70 0.07 0.00 0.01 0.00 0.00 42.46 38.84 1dm3 s ILE 269 CO 0.00 0.56 0.53 -1.58 0.00 0.00 0.00 174.94 174.44 1dm3 s GLN 270 N -1.15 3.05 0.55 2.79 -0.44 -1.26 -4.57 119.66 118.63 1dm3 s GLN 270 Ca 0.24 -1.16 -0.19 0.00 -2.50 0.00 0.00 55.36 51.75 1dm3 s GLN 270 Cb -0.16 -4.14 -0.06 0.00 -1.64 0.00 0.00 33.01 27.01 1dm3 s GLN 270 CO 0.14 -1.17 1.12 -2.14 0.50 0.00 0.00 175.29 173.74 1dm3 s PRO 271 N 2.16 3.36 0.45 1.67 0.02 -1.26 -4.90 135.00 136.50 1dm3 s PRO 271 Ca 0.09 1.56 0.29 0.00 0.02 0.00 0.00 61.00 62.96 1dm3 s PRO 271 Cb -0.22 -2.01 0.96 0.00 0.02 0.00 0.00 34.50 33.25 1dm3 s PRO 271 CO 0.09 -0.83 1.82 -0.07 -0.33 0.00 0.00 177.00 177.68 1dm3 h LEU 272 N 1.14 0.00 0.00 -5.54 -0.00 -1.19 -3.42 115.31 106.30 1dm3 h LEU 272 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.38 1dm3 h LEU 272 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.92 1dm3 h LEU 272 CO 0.57 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.62 1dm3 n GLY 273 N 0.46 1.92 3.80 0.83 0.00 -1.24 -4.63 105.19 106.33 1dm3 n GLY 273 Ca 0.02 -0.98 -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 3.20 -0.59 1.61 3.52 0.11 -0.81 118.95 123.99 1dm3 s ARG 274 Ca 0.00 -0.35 -0.23 0.00 -0.13 0.00 0.00 55.73 55.02 1dm3 s ARG 274 Cb 0.00 -2.96 0.06 0.00 -1.56 0.00 0.00 34.95 30.48 1dm3 s ARG 274 CO 0.00 0.70 0.90 0.42 -0.81 0.00 0.00 175.30 176.51 1dm3 s ILE 275 N -1.10 4.45 0.14 4.11 1.01 -0.03 -1.45 121.20 128.32 1dm3 s ILE 275 Ca 0.19 -0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.80 1dm3 s ILE 275 Cb -0.12 -4.56 -0.19 0.00 0.01 0.00 0.00 42.46 37.60 1dm3 s ILE 275 CO 0.10 -1.20 1.31 1.62 0.00 0.00 0.00 174.94 176.77 1dm3 h VAL 276 N 5.98 1.66 -2.43 2.92 3.04 -1.38 -3.43 116.25 122.61 1dm3 h VAL 276 Ca -0.27 -3.20 0.17 0.00 -1.01 0.00 0.00 66.70 62.39 1dm3 h VAL 276 Cb 1.08 2.76 -0.05 0.00 -2.01 0.00 0.00 31.29 33.06 1dm3 h VAL 276 CO 1.10 0.92 0.55 -0.94 -1.01 0.00 0.00 177.57 178.19 1dm3 s SER 277 N -6.78 -0.07 0.16 3.17 1.04 -1.18 -4.72 113.70 105.32 1dm3 s SER 277 Ca 0.00 -0.56 -0.24 0.00 0.48 0.00 0.00 55.95 55.63 1dm3 s SER 277 Cb 0.10 0.49 0.06 0.00 0.10 0.00 0.00 66.02 66.78 1dm3 s SER 277 CO 0.82 -0.95 0.71 -1.66 0.98 0.00 0.00 173.24 173.13 1dm3 s TRP 278 N -2.62 -0.38 0.05 5.02 1.48 -1.26 -1.32 118.94 119.91 1dm3 s TRP 278 Ca 0.18 0.11 -0.27 0.00 -1.06 0.00 0.00 56.10 55.06 1dm3 s TRP 278 Cb -0.02 0.60 0.09 0.00 -1.16 0.00 0.00 33.47 32.98 1dm3 s TRP 278 CO 0.04 -0.90 0.83 0.00 -4.06 0.00 0.00 176.95 172.86 1dm3 s ALA 279 N -3.65 -1.74 -0.14 2.67 0.00 0.50 -4.68 121.76 114.71 1dm3 s ALA 279 Ca 0.05 0.78 -0.07 0.00 0.00 0.00 0.00 51.96 52.72 1dm3 s ALA 279 Cb -0.02 0.55 0.06 0.00 0.00 0.00 0.00 23.12 23.71 1dm3 s ALA 279 CO -0.06 -0.75 0.33 -0.08 0.00 0.00 0.00 175.76 175.20 1dm3 s THR 280 N -3.29 -0.19 0.04 0.00 -1.32 -1.26 -1.07 115.64 108.56 1dm3 s THR 280 Ca 0.05 0.16 0.02 0.00 -1.21 0.00 0.00 61.69 60.71 1dm3 s THR 280 Cb -0.01 -0.51 -0.02 0.00 -1.51 0.00 0.00 72.50 70.44 1dm3 s THR 280 CO -0.08 0.06 -0.07 -0.69 -2.21 0.00 0.00 174.62 171.63 1dm3 s VAL 281 N 1.71 0.49 0.29 5.08 1.01 -0.88 -4.98 120.40 123.12 1dm3 s VAL 281 Ca -0.06 -1.11 0.05 0.00 0.00 0.00 0.00 61.98 60.86 1dm3 s VAL 281 Cb -0.10 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 1dm3 s VAL 281 CO -0.11 -0.42 0.42 -0.83 0.00 0.00 0.00 175.10 174.16 1dm3 s GLY 282 N -1.65 1.38 0.35 4.51 0.00 -1.26 0.06 107.32 110.70 1dm3 s GLY 282 Ca -0.10 -1.30 -0.04 0.00 0.00 0.00 0.00 44.72 43.29 1dm3 s GLY 282 CO -0.00 -1.27 0.50 -1.34 0.00 0.00 0.00 173.10 170.99 1dm3 s VAL 283 N -2.09 0.00 0.13 1.40 -7.23 -0.28 -4.90 120.40 107.43 1dm3 s VAL 283 Ca 0.39 -1.55 -0.31 0.00 -1.81 0.00 0.00 61.98 58.70 1dm3 s VAL 283 Cb -0.09 -2.66 -0.11 0.00 0.56 0.00 0.00 36.38 34.08 1dm3 s VAL 283 CO 0.30 0.00 1.84 -0.67 -0.31 0.00 0.00 175.10 176.26 1dm3 n ASP 284 N -1.42 4.07 -0.35 4.85 -0.08 -1.26 -4.31 116.55 118.05 1dm3 n ASP 284 Ca 0.00 0.99 0.10 0.00 -1.51 0.00 0.00 54.79 54.37 1dm3 n ASP 284 Cb 0.61 -1.55 0.27 0.00 2.34 0.00 0.00 41.12 42.80 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 8.48 0.81 -0.93 -0.67 0.11 -1.85 -0.87 132.00 137.07 1dm3 h PRO 285 Ca -0.46 -0.05 0.13 0.00 0.11 0.00 0.00 66.00 65.73 1dm3 h PRO 285 Cb 1.22 -0.18 -0.09 0.00 0.11 0.00 0.00 31.00 32.06 1dm3 h PRO 285 CO 0.95 0.53 0.55 0.87 -0.21 0.00 0.00 178.00 180.70 1dm3 h LYS 286 N 0.83 0.81 -1.67 1.05 1.57 -1.92 -2.68 116.57 114.55 1dm3 h LYS 286 Ca 0.53 -0.05 -0.62 0.00 -1.87 0.00 0.00 60.65 58.64 1dm3 h LYS 286 Cb 0.70 -0.18 -0.40 0.00 0.08 0.00 0.00 32.23 32.43 1dm3 h LYS 286 CO -0.33 0.53 -0.44 1.33 -0.57 0.00 0.00 179.45 179.97 1dm3 n VAL 287 N -4.73 2.68 0.12 0.50 0.24 -0.37 -4.41 118.33 112.36 1dm3 n VAL 287 Ca 0.18 -4.93 0.19 0.00 -2.04 0.00 0.00 64.34 57.74 1dm3 n VAL 287 Cb 0.40 -1.28 0.77 0.00 -1.47 0.00 0.00 33.84 32.25 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 2.71 0.00 -0.04 7.34 -0.00 -1.10 -1.46 114.93 122.37 1dm3 h MET 288 Ca 0.32 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 60.04 1dm3 h MET 288 Cb 0.74 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.34 1dm3 h MET 288 CO 0.93 0.00 0.05 0.78 -0.00 0.00 0.00 176.91 178.68 1dm3 h GLY 289 N 0.00 0.00 2.00 -3.00 0.00 -1.88 0.34 103.07 100.52 1dm3 h GLY 289 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1dm3 h GLY 289 CO -0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 1dm3 n THR 290 N -3.71 0.22 -0.18 4.70 -2.24 -0.55 -4.40 114.28 108.13 1dm3 n THR 290 Ca -0.02 -0.04 -0.04 0.00 -2.27 0.00 0.00 64.05 61.68 1dm3 n THR 290 Cb 0.14 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 67.77 1dm3 n THR 290 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dm3 n GLY 291 N 1.32 -1.08 0.37 3.38 0.00 0.11 -0.16 105.19 109.13 1dm3 n GLY 291 Ca 0.06 0.51 0.19 0.00 0.00 0.00 0.00 46.02 46.78 1dm3 n GLY 291 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1dm3 h PRO 292 N 0.00 0.00 0.46 1.61 0.11 -1.77 -3.09 132.00 129.33 1dm3 h PRO 292 Ca 0.08 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 1dm3 h PRO 292 Cb 0.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.30 1dm3 h PRO 292 CO -0.41 0.00 -0.22 0.82 -0.21 0.00 0.00 178.00 177.98 1dm3 h ILE 293 N 0.00 0.00 -0.19 4.15 2.04 -0.89 -1.07 117.51 121.55 1dm3 h ILE 293 Ca 0.15 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.03 1dm3 h ILE 293 Cb 0.92 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1dm3 h ILE 293 CO -0.00 0.00 0.03 1.55 0.00 0.00 0.00 178.15 179.73 1dm3 h PRO 294 N -0.63 0.11 -0.04 2.37 0.13 -1.74 -2.66 132.00 129.54 1dm3 h PRO 294 Ca -0.06 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1dm3 h PRO 294 Cb 0.48 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.57 1dm3 h PRO 294 CO 0.10 0.07 -0.04 0.00 -0.23 0.00 0.00 178.00 177.90 1dm3 h ALA 295 N 1.14 -0.00 -0.37 -0.56 0.00 -1.61 -1.12 119.26 116.74 1dm3 h ALA 295 Ca 0.09 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1dm3 h ALA 295 Cb 0.08 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1dm3 h ALA 295 CO -0.12 -0.52 0.08 0.77 0.00 0.00 0.00 179.25 179.46 1dm3 h SER 296 N -0.05 0.03 0.05 0.00 0.02 -1.17 -0.24 113.55 112.19 1dm3 h SER 296 Ca 0.03 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1dm3 h SER 296 Cb 0.10 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.68 1dm3 h SER 296 CO -0.08 0.05 -0.24 0.03 -1.14 0.00 0.00 176.83 175.46 1dm3 h ARG 297 N 0.21 -0.38 -0.24 3.45 3.08 -1.33 0.14 114.38 119.30 1dm3 h ARG 297 Ca 0.18 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.31 1dm3 h ARG 297 Cb 0.20 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.27 1dm3 h ARG 297 CO -0.22 -0.26 -0.15 -0.22 -1.07 0.00 0.00 179.97 178.05 1dm3 h LYS 298 N -0.40 -0.13 -0.68 0.04 3.11 -0.92 0.21 116.57 117.80 1dm3 h LYS 298 Ca 0.05 0.01 0.10 0.00 -2.81 0.00 0.00 60.65 58.00 1dm3 h LYS 298 Cb 0.46 0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 31.64 1dm3 h LYS 298 CO -0.18 -0.08 0.29 0.00 -2.81 0.00 0.00 179.45 176.67 1dm3 h ALA 299 N 1.04 0.92 -0.52 5.00 0.00 -0.40 0.17 119.26 125.48 1dm3 h ALA 299 Ca 0.13 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1dm3 h ALA 299 Cb 0.33 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1dm3 h ALA 299 CO -0.32 -0.13 0.13 -0.07 0.00 0.00 0.00 179.25 178.86 1dm3 h LEU 300 N 0.50 0.77 -0.50 0.00 3.38 0.19 -1.29 115.31 118.37 1dm3 h LEU 300 Ca 0.34 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1dm3 h LEU 300 Cb 0.42 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1dm3 h LEU 300 CO -0.31 0.80 0.33 -0.08 0.09 0.00 0.00 178.44 179.27 1dm3 h GLU 301 N 0.71 0.66 0.00 1.13 4.81 0.44 -0.41 114.58 121.93 1dm3 h GLU 301 Ca 0.16 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1dm3 h GLU 301 Cb 0.32 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1dm3 h GLU 301 CO 0.00 0.44 -0.31 0.00 -0.73 0.00 0.00 179.01 178.41 1dm3 h ARG 302 N 0.68 0.00 0.00 1.92 3.08 -0.49 -2.69 114.38 116.87 1dm3 h ARG 302 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1dm3 h ARG 302 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1dm3 h ARG 302 CO -0.04 0.31 -0.44 0.00 -1.07 0.00 0.00 179.97 178.73 1dm3 n ALA 303 N -2.35 2.82 -1.31 0.04 0.00 -0.50 -4.91 120.51 114.29 1dm3 n ALA 303 Ca -0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 53.44 53.22 1dm3 n ALA 303 Cb 0.40 -1.25 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 1dm3 n ALA 303 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dm3 n GLY 304 N 1.36 0.38 3.76 0.00 0.00 -0.27 -5.02 105.19 105.40 1dm3 n GLY 304 Ca 0.04 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.01 2.96 0.32 1.61 0.51 -0.55 -5.03 118.94 116.76 1dm3 s TRP 305 Ca 0.00 -0.15 0.07 0.00 -2.12 0.00 0.00 56.10 53.90 1dm3 s TRP 305 Cb 0.00 -1.33 -0.02 0.00 -0.81 0.00 0.00 33.47 31.31 1dm3 s TRP 305 CO 0.00 0.56 0.36 0.15 -0.51 0.00 0.00 176.95 177.51 1dm3 s LYS 306 N -3.77 2.94 0.22 4.98 1.02 -1.26 -4.35 119.74 119.52 1dm3 s LYS 306 Ca 0.32 -1.13 -0.08 0.00 0.02 0.00 0.00 55.97 55.10 1dm3 s LYS 306 Cb -0.07 -2.65 0.26 0.00 -0.52 0.00 0.00 37.83 34.85 1dm3 s LYS 306 CO 0.23 0.12 1.82 0.82 -0.92 0.00 0.00 175.35 177.43 1dm3 h ILE 307 N 1.11 1.00 0.00 2.17 2.04 -1.97 -1.37 117.51 120.50 1dm3 h ILE 307 Ca -0.46 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1dm3 h ILE 307 Cb 1.25 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1dm3 h ILE 307 CO 0.56 0.14 0.00 1.23 0.00 0.00 0.00 178.15 180.09 1dm3 h GLY 308 N 0.79 0.00 2.00 5.37 0.00 -1.97 -2.55 103.07 106.71 1dm3 h GLY 308 Ca 0.32 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.54 1dm3 h GLY 308 CO -0.17 0.00 -0.49 -0.55 0.00 0.00 0.00 176.54 175.33 1dm3 h ASP 309 N 0.00 0.00 -2.68 0.19 3.32 -1.63 -3.44 116.42 112.18 1dm3 h ASP 309 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 1dm3 h ASP 309 Cb 0.08 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.68 1dm3 h ASP 309 CO 0.00 0.49 1.00 -0.76 -1.72 0.00 0.00 179.24 178.25 1dm3 s LEU 310 N -7.66 4.37 -0.09 1.55 1.43 -0.96 -4.71 118.68 112.60 1dm3 s LEU 310 Ca -0.01 2.80 0.17 0.00 -1.03 0.00 0.00 54.13 56.06 1dm3 s LEU 310 Cb 0.13 -3.59 -0.23 0.00 0.03 0.00 0.00 46.19 42.52 1dm3 s LEU 310 CO 0.73 -0.95 0.41 0.47 0.23 0.00 0.00 176.35 177.25 1dm3 n ASP 311 N 4.22 0.39 -3.82 2.29 8.00 0.08 -4.96 116.55 122.75 1dm3 n ASP 311 Ca 0.16 0.18 -0.12 0.00 0.71 0.00 0.00 54.79 55.72 1dm3 n ASP 311 Cb 0.36 0.66 -0.11 0.00 -0.02 0.00 0.00 41.12 42.02 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 -5.60 1.27 0.00 0.64 2.96 -0.74 -4.87 118.68 112.35 1dm3 s LEU 312 Ca -0.07 0.18 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 1dm3 s LEU 312 Cb 0.08 0.77 -0.00 0.00 0.50 0.00 0.00 46.19 47.54 1dm3 s LEU 312 CO 0.83 -0.21 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.94 1dm3 s VAL 313 N -0.54 0.11 -0.33 1.68 1.01 0.53 -2.39 120.40 120.47 1dm3 s VAL 313 Ca -0.06 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1dm3 s VAL 313 Cb -0.04 -0.13 0.10 0.00 0.00 0.00 0.00 36.38 36.32 1dm3 s VAL 313 CO 0.01 -0.05 0.07 -1.61 0.00 0.00 0.00 175.10 173.53 1dm3 s GLU 314 N -0.24 1.24 -0.32 2.72 0.41 -0.15 -1.39 118.70 120.97 1dm3 s GLU 314 Ca -0.02 -1.63 -0.04 0.00 -0.41 0.00 0.00 54.97 52.87 1dm3 s GLU 314 Cb -0.02 -2.80 0.04 0.00 -1.78 0.00 0.00 34.13 29.57 1dm3 s GLU 314 CO -0.00 -0.96 0.05 0.00 -0.49 0.00 0.00 175.26 173.86 1dm3 s ALA 315 N 1.11 2.93 -0.17 5.21 0.00 -1.26 -1.05 121.76 128.53 1dm3 s ALA 315 Ca 0.11 -1.73 -0.40 0.00 0.00 0.00 0.00 51.96 49.94 1dm3 s ALA 315 Cb -0.19 -2.10 -0.17 0.00 0.00 0.00 0.00 23.12 20.66 1dm3 s ALA 315 CO -0.13 -1.28 1.53 -1.71 0.00 0.00 0.00 175.76 174.16 1dm3 n ASN 316 N 4.73 1.73 -3.77 0.00 5.15 -0.57 -4.91 115.26 117.61 1dm3 n ASN 316 Ca -0.13 1.11 -0.42 0.00 -0.60 0.00 0.00 54.58 54.54 1dm3 n ASN 316 Cb 0.44 -1.09 0.00 0.00 -0.53 0.00 0.00 39.78 38.60 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 3.87 3.45 0.18 1.20 1.02 -1.26 -4.73 120.64 124.38 1dm3 n GLU 317 Ca 0.24 -3.18 -0.14 0.00 -0.02 0.00 0.00 57.16 54.05 1dm3 n GLU 317 Cb 0.12 -3.01 -0.08 0.00 -0.02 0.00 0.00 31.44 28.44 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 5.71 -0.41 -3.02 0.62 0.00 -1.95 -3.27 119.26 116.95 1dm3 h ALA 318 Ca 0.49 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 55.09 1dm3 h ALA 318 Cb 0.60 0.16 -0.22 0.00 0.00 0.00 0.00 17.79 18.33 1dm3 h ALA 318 CO 1.71 -0.67 -0.67 -0.06 0.00 0.00 0.00 179.25 179.56 1dm3 s PHE 319 N -5.59 0.19 0.22 0.00 0.40 -1.26 -0.12 117.98 111.82 1dm3 s PHE 319 Ca -0.15 -0.40 -0.09 0.00 -0.60 0.00 0.00 56.93 55.69 1dm3 s PHE 319 Cb 0.04 -0.15 0.18 0.00 0.51 0.00 0.00 43.02 43.60 1dm3 s PHE 319 CO 0.62 -0.19 1.86 0.00 0.70 0.00 0.00 175.22 178.21 1dm3 h ALA 320 N 4.74 1.06 -0.42 5.36 0.00 -1.17 -1.52 119.26 127.31 1dm3 h ALA 320 Ca -0.31 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.57 1dm3 h ALA 320 Cb 1.21 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1dm3 h ALA 320 CO 0.42 0.52 0.12 0.00 0.00 0.00 0.00 179.25 180.31 1dm3 h ALA 321 N 1.27 0.49 -0.27 0.00 0.00 -1.91 -0.92 119.26 117.91 1dm3 h ALA 321 Ca 0.30 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.12 1dm3 h ALA 321 Cb -0.04 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1dm3 h ALA 321 CO -0.06 -0.28 -0.45 -0.56 0.00 0.00 0.00 179.25 177.91 1dm3 h GLN 322 N 0.27 0.69 0.24 0.00 -0.00 -1.73 -2.34 115.11 112.24 1dm3 h GLN 322 Ca 0.20 -0.38 -0.01 0.00 -0.00 0.00 0.00 58.65 58.46 1dm3 h GLN 322 Cb 0.22 0.02 0.00 0.00 -0.00 0.00 0.00 27.48 27.73 1dm3 h GLN 322 CO -0.23 1.00 -0.12 0.00 -0.00 0.00 0.00 178.83 179.48 1dm3 h ALA 323 N 0.94 -0.32 -0.93 0.06 0.00 -0.91 -0.90 119.26 117.19 1dm3 h ALA 323 Ca 0.04 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1dm3 h ALA 323 Cb 1.00 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1dm3 h ALA 323 CO 0.09 -0.66 0.60 0.00 0.00 0.00 0.00 179.25 179.29 1dm3 h ALA 325 N 1.39 0.95 0.56 0.00 0.00 -1.19 0.26 119.26 121.24 1dm3 h ALA 325 Ca 0.38 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1dm3 h ALA 325 Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1dm3 h ALA 325 CO -0.13 0.53 -0.39 0.28 0.00 0.00 0.00 179.25 179.54 1dm3 h VAL 326 N 1.04 0.21 -0.79 0.00 2.07 -0.45 -1.20 116.25 117.14 1dm3 h VAL 326 Ca 0.25 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.74 1dm3 h VAL 326 Cb 0.14 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 1dm3 h VAL 326 CO -0.03 0.00 0.38 0.78 0.02 0.00 0.00 177.57 178.72 1dm3 h ASN 327 N -0.91 1.03 0.13 0.57 2.35 -1.11 -0.48 115.58 117.14 1dm3 h ASN 327 Ca -0.06 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1dm3 h ASN 327 Cb 0.76 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 1dm3 h ASN 327 CO 0.04 0.87 -0.19 0.50 -1.65 0.00 0.00 177.43 176.99 1dm3 h LYS 328 N 1.11 -0.37 0.46 0.81 3.64 -0.34 0.97 116.57 122.85 1dm3 h LYS 328 Ca 0.27 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 1dm3 h LYS 328 Cb 0.11 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1dm3 h LYS 328 CO -0.04 -0.24 -0.22 0.22 -2.27 0.00 0.00 179.45 176.90 1dm3 h ASP 329 N -0.38 -0.52 -0.68 4.20 3.58 -1.05 -3.22 116.42 118.36 1dm3 h ASP 329 Ca 0.02 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 1dm3 h ASP 329 Cb 0.39 0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.54 1dm3 h ASP 329 CO -0.09 -0.21 0.38 -0.07 -2.88 0.00 0.00 179.24 176.37 1dm3 h LEU 330 N -0.84 0.85 0.00 2.28 3.38 -1.10 -3.47 115.31 116.41 1dm3 h LEU 330 Ca -0.06 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1dm3 h LEU 330 Cb 0.57 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1dm3 h LEU 330 CO 0.10 0.69 0.00 0.61 0.09 0.00 0.00 178.44 179.93 1dm3 n GLY 331 N -1.22 0.70 3.71 0.83 0.00 0.33 -5.02 105.19 104.53 1dm3 n GLY 331 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.86 1.91 -0.04 1.61 -2.14 -1.26 -4.84 118.94 111.32 1dm3 s TRP 332 Ca 0.00 1.60 -0.29 0.00 2.66 0.00 0.00 56.10 60.07 1dm3 s TRP 332 Cb 0.00 -3.56 -0.07 0.00 -3.10 0.00 0.00 33.47 26.73 1dm3 s TRP 332 CO 0.00 -2.87 1.97 0.34 -2.66 0.00 0.00 176.95 173.72 1dm3 s ASP 333 N -1.87 6.25 0.38 -2.66 2.15 -1.26 -4.87 116.67 114.79 1dm3 s ASP 333 Ca 0.77 2.39 0.13 0.00 0.43 0.00 0.00 52.55 56.27 1dm3 s ASP 333 Cb -0.32 -2.53 0.96 0.00 -0.30 0.00 0.00 42.92 40.73 1dm3 s ASP 333 CO 0.46 -1.25 1.83 1.55 -0.17 0.00 0.00 175.17 177.59 1dm3 h PRO 334 N 11.47 0.52 -0.01 4.34 0.13 -1.95 -2.39 132.00 144.11 1dm3 h PRO 334 Ca -0.46 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1dm3 h PRO 334 Cb 1.23 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1dm3 h PRO 334 CO 0.95 0.35 0.03 0.66 -0.23 0.00 0.00 178.00 179.76 1dm3 h SER 335 N 0.54 0.00 -0.58 1.44 4.64 -2.02 -2.02 113.55 115.56 1dm3 h SER 335 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1dm3 h SER 335 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1dm3 h SER 335 CO -0.24 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.02 1dm3 n ILE 336 N -3.41 1.77 -3.94 0.95 -5.35 -0.90 -4.70 119.36 103.79 1dm3 n ILE 336 Ca -0.03 -1.25 -0.35 0.00 -0.27 0.00 0.00 62.75 60.86 1dm3 n ILE 336 Cb 0.11 0.14 -0.14 0.00 -1.74 0.00 0.00 39.64 38.01 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 -1.83 2.99 -1.28 7.28 1.01 -0.76 -0.35 120.40 127.46 1dm3 s VAL 337 Ca 0.47 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 1dm3 s VAL 337 Cb 0.31 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 34.16 1dm3 s VAL 337 CO 0.22 0.17 1.09 0.59 0.00 0.00 0.00 175.10 177.17 1dm3 n ASN 338 N 4.69 -4.24 -0.31 3.32 4.13 -0.48 -4.89 115.26 117.47 1dm3 n ASN 338 Ca -0.16 -0.58 0.18 0.00 1.68 0.00 0.00 54.58 55.70 1dm3 n ASN 338 Cb 0.47 -5.06 0.44 0.00 -1.54 0.00 0.00 39.78 34.09 1dm3 n ASN 338 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1dm3 h VAL 339 N -2.31 0.62 -0.60 2.41 2.07 -1.82 0.43 116.25 117.05 1dm3 h VAL 339 Ca -0.58 -0.18 -0.11 0.00 0.82 0.00 0.00 66.70 66.65 1dm3 h VAL 339 Cb 1.36 0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 1dm3 h VAL 339 CO 0.53 0.10 0.14 0.59 0.02 0.00 0.00 177.57 178.95 1dm3 n ASN 340 N -4.66 4.79 0.00 0.57 3.02 -1.26 -4.85 115.26 112.87 1dm3 n ASN 340 Ca 0.23 -2.96 0.00 0.00 -0.03 0.00 0.00 54.58 51.82 1dm3 n ASN 340 Cb 0.73 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 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 0.18 1.29 0.00 7.41 0.00 0.15 -3.43 105.19 110.78 1dm3 n GLY 341 Ca 0.31 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 1.62 4.41 0.39 -0.02 0.00 -1.26 -4.77 105.19 105.56 1dm3 n GLY 342 Ca 0.00 -1.78 0.21 0.00 0.00 0.00 0.00 46.02 44.45 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 1.00 2.28 -0.35 4.61 0.00 -1.77 0.33 119.26 125.36 1dm3 h ALA 343 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1dm3 h ALA 343 Cb 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1dm3 h ALA 343 CO 0.00 -0.66 0.18 0.82 0.00 0.00 0.00 179.25 179.60 1dm3 h ILE 344 N 0.00 1.15 0.00 0.00 2.04 -1.84 0.50 117.51 119.36 1dm3 h ILE 344 Ca 0.22 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1dm3 h ILE 344 Cb 1.05 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1dm3 h ILE 344 CO -0.00 0.16 -0.25 0.00 0.00 0.00 0.00 178.15 178.06 1dm3 h ALA 345 N 1.04 0.04 -0.63 1.87 0.00 -1.44 -3.41 119.26 116.73 1dm3 h ALA 345 Ca 0.12 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1dm3 h ALA 345 Cb 0.09 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1dm3 h ALA 345 CO -0.02 0.16 0.29 0.82 0.00 0.00 0.00 179.25 180.50 1dm3 h ILE 346 N -1.00 1.22 0.00 0.00 2.04 -0.49 -2.78 117.51 116.50 1dm3 h ILE 346 Ca -0.06 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1dm3 h ILE 346 Cb 0.73 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1dm3 h ILE 346 CO -0.03 0.26 0.00 0.61 0.00 0.00 0.00 178.15 178.99 1dm3 n GLY 347 N -0.91 2.77 2.20 5.37 0.00 0.17 -4.53 105.19 110.26 1dm3 n GLY 347 Ca 0.04 -2.02 -0.24 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.30 -0.22 -2.29 1.61 -0.00 -1.25 -4.38 115.22 107.39 1dm3 n HIS 348 Ca 0.00 -3.58 -0.33 0.00 0.46 0.00 0.00 57.72 54.26 1dm3 n HIS 348 Cb 0.00 -0.35 -0.04 0.00 -0.12 0.00 0.00 29.99 29.48 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 -1.22 3.05 0.00 1.57 0.04 -1.26 -4.29 135.00 132.89 1dm3 s PRO 349 Ca 0.35 -0.73 0.00 0.00 0.04 0.00 0.00 61.00 60.66 1dm3 s PRO 349 Cb 0.17 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.50 1dm3 s PRO 349 CO -0.11 -2.85 0.19 -0.89 0.04 0.00 0.00 177.00 173.38 1dm3 n ILE 350 N 7.40 0.00 0.29 0.56 5.41 -1.26 0.13 119.36 131.90 1dm3 n ILE 350 Ca 0.37 0.29 0.16 0.00 1.00 0.00 0.00 62.75 64.57 1dm3 n ILE 350 Cb 0.49 -0.40 0.74 0.00 -0.71 0.00 0.00 39.64 39.76 1dm3 n ILE 350 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1dm3 h GLY 351 N 0.00 0.00 0.11 7.39 0.00 -1.79 -2.97 103.07 105.80 1dm3 h GLY 351 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 1dm3 h GLY 351 CO 0.00 0.00 -2.32 0.00 0.00 0.00 0.00 176.54 174.22 1dm3 n ALA 352 N -1.92 1.50 -0.32 3.60 0.00 0.12 -2.40 120.51 121.09 1dm3 n ALA 352 Ca -0.00 -1.28 0.19 0.00 0.00 0.00 0.00 53.44 52.35 1dm3 n ALA 352 Cb 0.16 -0.25 0.38 0.00 0.00 0.00 0.00 19.45 19.74 1dm3 n ALA 352 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1dm3 h SER 353 N 0.00 0.05 -0.03 0.00 0.87 -0.28 -0.09 113.55 114.08 1dm3 h SER 353 Ca -0.52 0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.23 1dm3 h SER 353 Cb 2.22 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 64.46 1dm3 h SER 353 CO 0.03 -0.25 -0.06 1.23 -0.53 0.00 0.00 176.83 177.25 1dm3 h GLY 354 N 0.14 0.25 1.51 5.77 0.00 -1.84 -0.94 103.07 107.96 1dm3 h GLY 354 Ca 0.66 -0.13 -0.11 0.00 0.00 0.00 0.00 47.33 47.75 1dm3 h GLY 354 CO -0.73 0.13 -0.86 0.00 0.00 0.00 0.00 176.54 175.08 1dm3 h ALA 355 N 1.72 0.67 -0.13 3.60 0.00 -1.19 -2.94 119.26 120.99 1dm3 h ALA 355 Ca 0.05 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.36 1dm3 h ALA 355 Cb 0.26 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1dm3 h ALA 355 CO 0.01 0.60 -0.28 -0.09 0.00 0.00 0.00 179.25 179.49 1dm3 h ARG 356 N 0.00 0.42 0.00 0.00 1.12 -0.24 -2.21 114.38 113.47 1dm3 h ARG 356 Ca -0.06 -0.28 0.00 0.00 -1.11 0.00 0.00 59.98 58.53 1dm3 h ARG 356 Cb 1.38 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.38 1dm3 h ARG 356 CO 0.04 0.88 0.00 -0.84 -3.11 0.00 0.00 179.97 176.95 1dm3 h ILE 357 N 0.01 0.00 0.14 1.20 3.07 -1.31 -2.02 117.51 118.60 1dm3 h ILE 357 Ca 0.00 -0.41 -0.30 0.00 1.55 0.00 0.00 64.86 65.71 1dm3 h ILE 357 Cb 0.88 1.33 0.03 0.00 -0.27 0.00 0.00 36.82 38.79 1dm3 h ILE 357 CO 0.06 0.00 -1.28 0.25 -1.05 0.00 0.00 178.15 176.14 1dm3 h LEU 358 N 0.00 0.79 0.31 0.16 7.12 -1.32 -2.39 115.31 119.98 1dm3 h LEU 358 Ca 0.00 -0.76 -0.01 0.00 0.13 0.00 0.00 57.88 57.25 1dm3 h LEU 358 Cb 0.44 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.31 1dm3 h LEU 358 CO 0.00 1.57 -0.23 0.78 -0.13 0.00 0.00 178.44 180.43 1dm3 h ASN 359 N 0.22 -0.61 -0.49 1.25 2.35 -0.94 0.23 115.58 117.60 1dm3 h ASN 359 Ca -0.19 0.05 0.05 0.00 -0.55 0.00 0.00 56.30 55.66 1dm3 h ASN 359 Cb 1.96 0.19 -0.05 0.00 0.05 0.00 0.00 38.32 40.48 1dm3 h ASN 359 CO 0.24 -0.36 0.23 0.74 -1.65 0.00 0.00 177.43 176.63 1dm3 h THR 360 N -0.55 0.93 -0.00 2.81 2.02 -1.46 0.11 112.91 116.77 1dm3 h THR 360 Ca -0.02 -0.16 0.03 0.00 0.77 0.00 0.00 66.41 67.03 1dm3 h THR 360 Cb 0.48 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 1dm3 h THR 360 CO -0.00 0.08 -0.20 0.25 0.37 0.00 0.00 175.52 176.02 1dm3 h LEU 361 N 0.46 -0.59 0.18 2.58 6.46 -1.18 -1.42 115.31 121.80 1dm3 h LEU 361 Ca 0.22 0.08 0.01 0.00 -0.12 0.00 0.00 57.88 58.07 1dm3 h LEU 361 Cb 0.15 0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 1dm3 h LEU 361 CO -0.17 -0.27 -0.20 -0.07 -0.62 0.00 0.00 178.44 177.11 1dm3 h LEU 362 N -0.32 -0.54 -1.19 2.25 3.38 0.48 -0.50 115.31 118.87 1dm3 h LEU 362 Ca 0.06 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1dm3 h LEU 362 Cb 0.40 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1dm3 h LEU 362 CO -0.19 -0.29 -0.12 -0.26 0.09 0.00 0.00 178.44 177.66 1dm3 h PHE 363 N -0.42 0.00 0.10 1.13 -1.00 -0.81 -2.47 116.94 113.47 1dm3 h PHE 363 Ca 0.01 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.49 1dm3 h PHE 363 Cb 0.40 0.00 0.03 0.00 3.61 0.00 0.00 35.95 39.99 1dm3 h PHE 363 CO -0.16 0.12 -1.22 1.49 -1.61 0.00 0.00 178.31 176.94 1dm3 h GLU 364 N 0.00 0.62 -0.78 1.51 4.57 -0.95 -2.40 114.58 117.15 1dm3 h GLU 364 Ca -0.00 -0.81 -0.03 0.00 -1.18 0.00 0.00 59.36 57.34 1dm3 h GLU 364 Cb 0.67 0.26 -0.04 0.00 -0.16 0.00 0.00 28.75 29.48 1dm3 h GLU 364 CO 0.02 1.36 0.39 0.52 -1.18 0.00 0.00 179.01 180.12 1dm3 h MET 365 N 0.29 1.12 -0.03 1.92 2.86 -0.92 0.45 114.93 120.61 1dm3 h MET 365 Ca -0.18 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.29 1dm3 h MET 365 Cb 1.89 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 33.34 1dm3 h MET 365 CO 0.23 0.85 -0.06 -0.22 1.06 0.00 0.00 176.91 178.78 1dm3 h LYS 366 N 1.11 0.09 -0.88 1.72 3.64 -1.47 -0.98 116.57 119.80 1dm3 h LYS 366 Ca 0.27 -0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.70 1dm3 h LYS 366 Cb 0.09 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.84 1dm3 h LYS 366 CO -0.04 0.64 0.51 -0.09 -2.27 0.00 0.00 179.45 178.20 1dm3 h ARG 367 N -0.45 0.82 -0.31 1.90 2.43 -0.99 -2.73 114.38 115.05 1dm3 h ARG 367 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1dm3 h ARG 367 Cb 0.63 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1dm3 h ARG 367 CO 0.01 0.54 0.00 2.89 -1.51 0.00 0.00 179.97 181.90 1dm3 n ARG 368 N -4.71 2.25 -2.35 0.20 1.85 0.11 -4.98 116.66 109.03 1dm3 n ARG 368 Ca 0.15 -2.07 -0.15 0.00 -1.00 0.00 0.00 57.85 54.77 1dm3 n ARG 368 Cb 0.30 -1.43 -0.00 0.00 -1.05 0.00 0.00 32.46 30.28 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 1.23 -0.25 3.77 2.89 0.00 -0.49 -4.99 105.19 107.36 1dm3 n GLY 369 Ca 0.16 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.79 3.21 -0.20 4.61 0.00 -0.52 -4.98 121.76 121.08 1dm3 s ALA 370 Ca 0.03 0.71 -0.17 0.00 0.00 0.00 0.00 51.96 52.53 1dm3 s ALA 370 Cb -0.01 -3.27 -0.20 0.00 0.00 0.00 0.00 23.12 19.65 1dm3 s ALA 370 CO 0.03 -0.10 0.16 0.54 0.00 0.00 0.00 175.76 176.39 1dm3 n ARG 371 N 0.47 0.61 -4.36 0.00 3.00 -1.26 -4.64 116.66 110.49 1dm3 n ARG 371 Ca 0.02 0.46 -0.34 0.00 -0.01 0.00 0.00 57.85 57.98 1dm3 n ARG 371 Cb 0.48 -1.70 -0.12 0.00 0.00 0.00 0.00 32.46 31.12 1dm3 n ARG 371 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1dm3 s LYS 372 N -2.43 3.68 0.18 5.56 1.02 -1.26 -0.49 119.74 126.01 1dm3 s LYS 372 Ca -0.29 -0.51 0.02 0.00 0.02 0.00 0.00 55.97 55.21 1dm3 s LYS 372 Cb 0.07 -2.94 -0.05 0.00 -0.52 0.00 0.00 37.83 34.40 1dm3 s LYS 372 CO 0.62 0.23 -0.00 0.20 -0.92 0.00 0.00 175.35 175.48 1dm3 s GLY 373 N 0.40 1.27 -0.19 -3.33 0.00 0.16 -0.74 107.32 104.89 1dm3 s GLY 373 Ca -0.03 -1.61 -0.14 0.00 0.00 0.00 0.00 44.72 42.93 1dm3 s GLY 373 CO 0.03 -1.55 0.48 -2.27 0.00 0.00 0.00 173.10 169.79 1dm3 s LEU 374 N -3.19 -0.07 -0.05 0.66 0.20 -1.00 -1.21 118.68 114.01 1dm3 s LEU 374 Ca 0.24 1.01 0.05 0.00 0.69 0.00 0.00 54.13 56.13 1dm3 s LEU 374 Cb 0.06 1.64 -0.02 0.00 -0.43 0.00 0.00 46.19 47.44 1dm3 s LEU 374 CO 0.05 -0.19 -0.21 0.00 -0.29 0.00 0.00 176.35 175.71 1dm3 s ALA 375 N 0.82 2.34 -0.04 5.97 0.00 -0.84 -0.97 121.76 129.04 1dm3 s ALA 375 Ca -0.05 -1.03 -0.12 0.00 0.00 0.00 0.00 51.96 50.76 1dm3 s ALA 375 Cb -0.05 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.32 1dm3 s ALA 375 CO -0.06 0.47 0.27 -0.08 0.00 0.00 0.00 175.76 176.35 1dm3 s THR 376 N -0.38 0.05 0.04 0.00 -1.32 -0.21 -1.31 115.64 112.51 1dm3 s THR 376 Ca 0.03 -0.40 0.01 0.00 -1.21 0.00 0.00 61.69 60.13 1dm3 s THR 376 Cb -0.12 -0.53 -0.03 0.00 -1.51 0.00 0.00 72.50 70.32 1dm3 s THR 376 CO 0.02 -0.22 -0.06 -0.76 -2.21 0.00 0.00 174.62 171.39 1dm3 s LEU 377 N -0.96 2.29 0.49 9.08 1.02 -0.54 -1.52 118.68 128.55 1dm3 s LEU 377 Ca -0.10 -0.61 -0.07 0.00 0.02 0.00 0.00 54.13 53.36 1dm3 s LEU 377 Cb -0.05 -0.07 -0.04 0.00 0.02 0.00 0.00 46.19 46.05 1dm3 s LEU 377 CO 0.03 -0.28 0.83 0.00 0.02 0.00 0.00 176.35 176.95 1dm3 s ILE 379 N -2.76 0.23 0.35 0.00 1.01 0.17 -4.55 121.20 115.66 1dm3 s ILE 379 Ca 0.49 0.04 -0.27 0.00 0.00 0.00 0.00 60.65 60.91 1dm3 s ILE 379 Cb -0.10 -0.31 -0.12 0.00 0.01 0.00 0.00 42.46 41.93 1dm3 s ILE 379 CO 0.44 0.15 1.23 0.61 0.00 0.00 0.00 174.94 177.37 1dm3 n GLY 380 N 4.06 0.41 0.21 6.18 0.00 -1.26 -1.96 105.19 112.82 1dm3 n GLY 380 Ca -0.26 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.86 0.31 1.00 -0.02 0.00 -1.26 -4.61 105.19 101.47 1dm3 n GLY 381 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.00 -0.10 3.36 -0.02 0.00 -0.83 -4.17 105.19 101.44 1dm3 n GLY 382 Ca 0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.71 1.03 0.08 1.61 1.00 -0.84 -1.13 119.30 119.34 1dm3 s MET 383 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 55.69 55.35 1dm3 s MET 383 Cb 0.00 0.47 -0.03 0.00 0.00 0.00 0.00 34.83 35.27 1dm3 s MET 383 CO 0.00 -0.38 -0.10 0.20 0.00 0.00 0.00 175.02 174.74 1dm3 s GLY 384 N -2.20 0.75 -0.01 -0.03 0.00 0.11 0.46 107.32 106.40 1dm3 s GLY 384 Ca -0.03 -1.05 0.01 0.00 0.00 0.00 0.00 44.72 43.65 1dm3 s GLY 384 CO -0.05 -1.11 -0.04 0.54 0.00 0.00 0.00 173.10 172.44 1dm3 s VAL 385 N -2.02 0.36 0.01 1.40 0.11 -0.89 -2.07 120.40 117.30 1dm3 s VAL 385 Ca 0.00 -0.15 -0.05 0.00 -2.93 0.00 0.00 61.98 58.85 1dm3 s VAL 385 Cb -0.06 -0.34 -0.01 0.00 -1.53 0.00 0.00 36.38 34.45 1dm3 s VAL 385 CO 0.00 0.13 0.09 0.00 -3.33 0.00 0.00 175.10 171.99 1dm3 s ALA 386 N 0.17 -0.17 -0.04 1.54 0.00 -0.23 -1.47 121.76 121.56 1dm3 s ALA 386 Ca -0.02 -0.32 -0.04 0.00 0.00 0.00 0.00 51.96 51.59 1dm3 s ALA 386 Cb -0.05 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.23 1dm3 s ALA 386 CO -0.00 -0.22 0.11 1.41 0.00 0.00 0.00 175.76 177.05 1dm3 s MET 387 N -1.65 0.15 -0.16 0.00 0.00 -0.43 -0.37 119.30 116.85 1dm3 s MET 387 Ca -0.13 0.09 -0.05 0.00 0.00 0.00 0.00 55.69 55.60 1dm3 s MET 387 Cb -0.07 0.07 -0.03 0.00 0.00 0.00 0.00 34.83 34.80 1dm3 s MET 387 CO -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 175.02 174.99 1dm3 s ILE 389 N 0.26 2.32 -0.06 0.00 -1.09 -0.35 -0.98 121.20 121.31 1dm3 s ILE 389 Ca -0.01 -1.17 0.03 0.00 -2.23 0.00 0.00 60.65 57.28 1dm3 s ILE 389 Cb -0.13 -1.88 0.00 0.00 -1.58 0.00 0.00 42.46 38.87 1dm3 s ILE 389 CO 0.02 0.47 -0.16 -0.70 -1.23 0.00 0.00 174.94 173.35 1dm3 s GLU 390 N -0.97 1.84 0.85 2.79 2.12 -0.53 -0.66 118.70 124.15 1dm3 s GLU 390 Ca 0.11 -0.54 -0.12 0.00 0.36 0.00 0.00 54.97 54.78 1dm3 s GLU 390 Cb -0.10 -1.54 0.10 0.00 0.26 0.00 0.00 34.13 32.85 1dm3 s GLU 390 CO 0.01 0.15 1.12 -1.54 -0.54 0.00 0.00 175.26 174.46 1dm3 s SER 391 N 0.32 4.09 0.00 -1.70 1.04 0.36 0.04 113.70 117.85 1dm3 s SER 391 Ca -0.10 1.11 0.00 0.00 0.48 0.00 0.00 55.95 57.44 1dm3 s SER 391 Cb -0.14 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 64.23 1dm3 s SER 391 CO 0.03 -2.20 0.39 0.18 0.98 0.00 0.00 173.24 172.63