#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x96 s ALA 1 N 0.00 3.10 -0.72 3.17 0.00 -1.26 -4.94 121.76 121.11 1x96 s ALA 1 Ca 0.00 1.31 0.26 0.00 0.00 0.00 0.00 51.96 53.53 1x96 s ALA 1 Cb 0.00 -3.53 0.75 0.00 0.00 0.00 0.00 23.12 20.34 1x96 s ALA 1 CO 0.00 -1.08 1.72 0.43 0.00 0.00 0.00 175.76 176.83 1x96 n SER 2 N -0.36 0.80 -4.25 0.00 7.64 -1.26 -4.86 113.62 111.34 1x96 n SER 2 Ca 0.06 0.52 -0.19 0.00 1.01 0.00 0.00 58.87 60.27 1x96 n SER 2 Cb 0.44 -0.67 -0.11 0.00 -1.01 0.00 0.00 64.21 62.85 1x96 n SER 2 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1x96 s ARG 3 N -3.11 1.04 -0.02 1.43 0.52 -1.26 -0.93 118.95 116.62 1x96 s ARG 3 Ca 0.10 -1.22 0.05 0.00 -0.52 0.00 0.00 55.73 54.14 1x96 s ARG 3 Cb 0.12 -0.97 -0.03 0.00 0.52 0.00 0.00 34.95 34.60 1x96 s ARG 3 CO 0.61 0.19 -0.16 -1.50 0.02 0.00 0.00 175.30 174.47 1x96 s ILE 4 N -1.98 2.92 -0.03 1.52 2.07 -0.06 -4.87 121.20 120.77 1x96 s ILE 4 Ca 0.08 -0.91 -0.27 0.00 -1.41 0.00 0.00 60.65 58.15 1x96 s ILE 4 Cb -0.06 -2.17 -0.03 0.00 0.13 0.00 0.00 42.46 40.33 1x96 s ILE 4 CO 0.03 0.50 0.83 -0.22 -1.91 0.00 0.00 174.94 174.18 1x96 s LEU 5 N -0.98 4.35 0.47 8.50 2.96 -1.26 -0.59 118.68 132.13 1x96 s LEU 5 Ca 0.13 1.42 -0.02 0.00 -0.22 0.00 0.00 54.13 55.43 1x96 s LEU 5 Cb -0.11 -3.32 -0.01 0.00 0.50 0.00 0.00 46.19 43.25 1x96 s LEU 5 CO 0.02 -0.18 0.73 -0.76 -1.32 0.00 0.00 176.35 174.84 1x96 s LEU 6 N 0.88 3.60 0.00 -0.68 1.43 -0.16 -4.98 118.68 118.77 1x96 s LEU 6 Ca 0.44 0.55 0.18 0.00 -1.03 0.00 0.00 54.13 54.27 1x96 s LEU 6 Cb -0.19 -3.44 1.05 0.00 0.03 0.00 0.00 46.19 43.64 1x96 s LEU 6 CO 0.23 -0.70 1.51 -0.46 0.23 0.00 0.00 176.35 177.16 1x96 n ASN 7 N -2.19 0.00 -0.97 2.29 2.04 -1.26 -1.24 115.26 113.92 1x96 n ASN 7 Ca 0.01 -0.93 0.12 0.00 -0.44 0.00 0.00 54.58 53.34 1x96 n ASN 7 Cb 0.57 0.00 0.23 0.00 -2.53 0.00 0.00 39.78 38.05 1x96 n ASN 7 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1x96 n ASN 8 N -0.87 2.94 0.00 0.53 6.94 -1.26 -4.97 115.26 118.57 1x96 n ASN 8 Ca 0.13 -1.92 0.00 0.00 -0.02 0.00 0.00 54.58 52.77 1x96 n ASN 8 Cb 0.06 -0.14 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 1x96 n ASN 8 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x96 n GLY 9 N 1.39 1.02 3.94 4.83 0.00 -0.37 -5.05 105.19 110.95 1x96 n GLY 9 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1x96 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x96 s ALA 10 N -2.86 3.75 -0.12 4.61 0.00 -1.26 -4.87 121.76 121.00 1x96 s ALA 10 Ca 0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 50.99 1x96 s ALA 10 Cb 0.00 -2.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 1x96 s ALA 10 CO 0.00 0.11 0.05 0.15 0.00 0.00 0.00 175.76 176.07 1x96 s LYS 11 N -4.05 3.40 -0.15 0.00 1.02 -1.26 -0.99 119.74 117.71 1x96 s LYS 11 Ca 0.39 -0.32 -0.00 0.00 0.02 0.00 0.00 55.97 56.06 1x96 s LYS 11 Cb -0.10 -3.01 -0.01 0.00 -0.52 0.00 0.00 37.83 34.19 1x96 s LYS 11 CO 0.33 0.59 -0.14 1.41 -0.92 0.00 0.00 175.35 176.62 1x96 s MET 12 N -0.52 3.29 0.25 1.68 -2.45 0.24 -4.90 119.30 116.90 1x96 s MET 12 Ca 0.10 -0.72 -0.30 0.00 -1.25 0.00 0.00 55.69 53.52 1x96 s MET 12 Cb -0.12 -2.64 -0.11 0.00 1.25 0.00 0.00 34.83 33.21 1x96 s MET 12 CO 0.02 0.09 1.57 -2.14 1.05 0.00 0.00 175.02 175.61 1x96 s PRO 13 N 0.65 4.17 0.21 4.11 0.02 -1.26 -0.88 135.00 142.03 1x96 s PRO 13 Ca -0.07 2.48 0.25 0.00 0.02 0.00 0.00 61.00 63.68 1x96 s PRO 13 Cb -0.16 -3.07 0.88 0.00 0.02 0.00 0.00 34.50 32.18 1x96 s PRO 13 CO 0.02 -0.60 1.76 0.44 -0.33 0.00 0.00 177.00 178.30 1x96 n ILE 14 N 2.75 0.65 -4.54 2.83 -5.35 -0.11 -4.53 119.36 111.06 1x96 n ILE 14 Ca 0.10 -0.09 -0.33 0.00 -0.27 0.00 0.00 62.75 62.16 1x96 n ILE 14 Cb 0.38 -0.78 -0.16 0.00 -1.74 0.00 0.00 39.64 37.34 1x96 n ILE 14 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1x96 s LEU 15 N -4.42 2.24 0.31 7.28 2.96 -1.26 -0.38 118.68 125.41 1x96 s LEU 15 Ca 0.09 -0.57 0.06 0.00 -0.22 0.00 0.00 54.13 53.49 1x96 s LEU 15 Cb 0.12 -1.49 -0.06 0.00 0.50 0.00 0.00 46.19 45.25 1x96 s LEU 15 CO 0.52 0.07 -0.01 -0.83 -1.32 0.00 0.00 176.35 174.78 1x96 s GLY 16 N 0.89 2.01 -0.24 7.98 0.00 -0.12 -4.37 107.32 113.47 1x96 s GLY 16 Ca -0.05 -2.02 -0.14 0.00 0.00 0.00 0.00 44.72 42.52 1x96 s GLY 16 CO -0.03 -1.87 0.31 -2.27 0.00 0.00 0.00 173.10 169.24 1x96 s LEU 17 N -3.50 4.10 0.48 0.66 2.96 -0.26 -3.35 118.68 119.78 1x96 s LEU 17 Ca 0.33 0.30 -0.19 0.00 -0.22 0.00 0.00 54.13 54.35 1x96 s LEU 17 Cb 0.06 -2.35 -0.09 0.00 0.50 0.00 0.00 46.19 44.31 1x96 s LEU 17 CO 0.14 -0.07 0.98 -0.83 -1.32 0.00 0.00 176.35 175.25 1x96 s GLY 18 N 1.28 2.24 0.00 7.98 0.00 -0.44 -0.90 107.32 117.48 1x96 s GLY 18 Ca 0.14 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.18 1x96 s GLY 18 CO 0.08 0.60 0.47 -1.30 0.00 0.00 0.00 173.10 172.95 1x96 n THR 19 N -1.15 0.22 -2.00 0.90 -2.24 -1.15 -4.23 114.28 104.63 1x96 n THR 19 Ca 0.07 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 1x96 n THR 19 Cb 0.54 1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.91 1x96 n THR 19 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1x96 s TRP 20 N -0.22 2.92 0.00 4.78 -0.00 -1.26 -2.17 118.94 122.99 1x96 s TRP 20 Ca 0.00 0.63 0.00 0.00 -0.00 0.00 0.00 56.10 56.73 1x96 s TRP 20 Cb 0.00 -3.86 0.00 0.00 -0.00 0.00 0.00 33.47 29.61 1x96 s TRP 20 CO 0.00 -3.24 0.00 1.63 -0.00 0.00 0.00 176.95 175.34 1x96 n LYS 21 N 4.48 0.00 -2.30 5.86 5.02 -1.26 -5.00 118.16 124.96 1x96 n LYS 21 Ca 0.14 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.00 1x96 n LYS 21 Cb 0.40 -2.63 -0.02 0.00 -0.02 0.00 0.00 35.03 32.76 1x96 n LYS 21 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1x96 s SER 22 N -2.74 6.69 0.49 4.39 0.01 -0.92 -4.95 113.70 116.67 1x96 s SER 22 Ca 0.00 1.58 -0.24 0.00 1.31 0.00 0.00 55.95 58.60 1x96 s SER 22 Cb 0.00 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.62 1x96 s SER 22 CO 0.00 -1.00 1.39 -2.65 0.41 0.00 0.00 173.24 171.39 1x96 n PRO 23 N 7.14 1.99 0.13 12.44 -0.02 -1.26 -4.71 135.00 150.71 1x96 n PRO 23 Ca 0.16 0.72 0.11 0.00 -2.02 0.00 0.00 63.50 62.46 1x96 n PRO 23 Cb 0.45 -2.59 0.61 0.00 -0.02 0.00 0.00 33.50 31.96 1x96 n PRO 23 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1x96 h PRO 24 N 1.90 0.10 -0.00 0.52 0.13 -1.92 0.18 132.00 132.91 1x96 h PRO 24 Ca -0.51 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1x96 h PRO 24 Cb 1.29 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1x96 h PRO 24 CO 0.59 0.07 -0.03 0.41 -0.23 0.00 0.00 178.00 178.81 1x96 n GLY 25 N -1.56 -0.79 0.00 1.56 0.00 -1.26 -3.77 105.19 99.37 1x96 n GLY 25 Ca 0.02 -0.27 0.01 0.00 0.00 0.00 0.00 46.02 45.78 1x96 n GLY 25 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x96 n GLN 26 N -0.75 1.56 0.09 1.61 6.02 -0.12 -4.80 117.38 121.00 1x96 n GLN 26 Ca 0.20 -0.01 -0.04 0.00 -0.01 0.00 0.00 57.00 57.14 1x96 n GLN 26 Cb 0.22 -0.93 -0.02 0.00 1.02 0.00 0.00 30.24 30.53 1x96 n GLN 26 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1x96 h VAL 27 N 0.00 1.48 -0.26 5.09 3.04 -1.19 -1.78 116.25 122.62 1x96 h VAL 27 Ca 0.00 -2.89 0.00 0.00 -1.01 0.00 0.00 66.70 62.81 1x96 h VAL 27 Cb 0.07 2.60 -0.01 0.00 -2.01 0.00 0.00 31.29 31.93 1x96 h VAL 27 CO 0.00 0.80 0.17 0.74 -1.01 0.00 0.00 177.57 178.27 1x96 h THR 28 N 0.00 1.07 -0.71 3.17 2.02 -1.75 -0.95 112.91 115.76 1x96 h THR 28 Ca -0.01 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 1x96 h THR 28 Cb 1.54 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.62 1x96 h THR 28 CO 0.11 0.07 0.25 -0.08 0.37 0.00 0.00 175.52 176.24 1x96 h GLU 29 N 0.35 1.08 -0.45 6.66 4.81 -1.88 -1.25 114.58 123.90 1x96 h GLU 29 Ca 0.10 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1x96 h GLU 29 Cb -0.03 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 1x96 h GLU 29 CO -0.02 0.91 0.28 0.00 -0.73 0.00 0.00 179.01 179.46 1x96 h ALA 30 N 1.12 0.57 -0.28 2.92 0.00 -0.98 -0.57 119.26 122.05 1x96 h ALA 30 Ca 0.23 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 1x96 h ALA 30 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1x96 h ALA 30 CO -0.01 -0.01 -0.46 0.28 0.00 0.00 0.00 179.25 179.04 1x96 h VAL 31 N 0.58 1.29 -0.29 0.00 2.07 -1.04 -0.14 116.25 118.71 1x96 h VAL 31 Ca 0.17 -1.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 1x96 h VAL 31 Cb -0.03 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1x96 h VAL 31 CO -0.06 0.53 0.18 0.11 0.02 0.00 0.00 177.57 178.36 1x96 h LYS 32 N 0.59 0.40 -0.37 1.57 1.57 -0.89 -0.92 116.57 118.52 1x96 h LYS 32 Ca 0.03 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1x96 h LYS 32 Cb 1.03 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 1x96 h LYS 32 CO 0.10 0.31 0.16 0.28 -0.57 0.00 0.00 179.45 179.73 1x96 h VAL 33 N 0.38 1.18 -0.36 0.50 2.07 -1.04 -1.12 116.25 117.85 1x96 h VAL 33 Ca 0.11 -0.53 0.07 0.00 0.82 0.00 0.00 66.70 67.16 1x96 h VAL 33 Cb 0.01 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 1x96 h VAL 33 CO -0.02 0.19 -0.01 0.00 0.02 0.00 0.00 177.57 177.75 1x96 h ALA 34 N 1.01 0.32 -0.49 1.67 0.00 -0.81 -0.88 119.26 120.08 1x96 h ALA 34 Ca 0.13 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1x96 h ALA 34 Cb 0.15 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1x96 h ALA 34 CO -0.01 -0.41 -0.03 0.82 0.00 0.00 0.00 179.25 179.62 1x96 h ILE 35 N 0.08 1.25 -0.62 0.00 2.04 -0.99 0.29 117.51 119.57 1x96 h ILE 35 Ca 0.18 -1.09 0.02 0.00 1.00 0.00 0.00 64.86 64.97 1x96 h ILE 35 Cb 0.25 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1x96 h ILE 35 CO -0.31 0.38 0.41 0.44 0.00 0.00 0.00 178.15 179.07 1x96 h ASP 36 N 0.78 0.67 -0.67 1.72 3.32 -0.41 -2.88 116.42 118.95 1x96 h ASP 36 Ca 0.14 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1x96 h ASP 36 Cb 0.52 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1x96 h ASP 36 CO 0.03 0.47 0.00 1.33 -1.72 0.00 0.00 179.24 179.35 1x96 n VAL 37 N -4.45 0.89 0.00 -1.35 0.24 -0.41 -4.92 118.33 108.32 1x96 n VAL 37 Ca 0.07 -0.90 0.00 0.00 -2.04 0.00 0.00 64.34 61.47 1x96 n VAL 37 Cb 0.09 0.47 0.00 0.00 -1.47 0.00 0.00 33.84 32.93 1x96 n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x96 n GLY 38 N 1.58 1.37 3.77 7.63 0.00 -0.87 -5.01 105.19 113.65 1x96 n GLY 38 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 1x96 n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x96 s TYR 39 N -1.41 3.14 0.00 1.61 1.51 0.04 -4.89 117.35 117.34 1x96 s TYR 39 Ca 0.00 1.48 0.00 0.00 -1.01 0.00 0.00 57.07 57.54 1x96 s TYR 39 Cb 0.00 -3.58 0.00 0.00 -0.11 0.00 0.00 41.96 38.27 1x96 s TYR 39 CO 0.00 -1.56 0.67 0.54 -1.11 0.00 0.00 175.55 174.09 1x96 n ARG 40 N 0.77 1.16 -4.06 -0.62 5.12 -1.26 -4.22 116.66 113.55 1x96 n ARG 40 Ca 0.00 -0.90 -0.20 0.00 -1.93 0.00 0.00 57.85 54.82 1x96 n ARG 40 Cb 0.43 -0.83 -0.16 0.00 -1.16 0.00 0.00 32.46 30.73 1x96 n ARG 40 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1x96 s HIS 41 N -0.45 0.65 -0.09 -1.55 2.46 -1.26 0.54 115.29 115.58 1x96 s HIS 41 Ca 0.00 -0.16 0.03 0.00 0.47 0.00 0.00 55.06 55.40 1x96 s HIS 41 Cb 0.00 -0.63 0.01 0.00 -0.13 0.00 0.00 32.58 31.82 1x96 s HIS 41 CO 0.00 -0.20 -0.18 0.42 -2.47 0.00 0.00 174.74 172.31 1x96 s ILE 42 N 1.09 1.64 -0.23 0.89 -1.09 -0.97 -1.10 121.20 121.44 1x96 s ILE 42 Ca -0.08 -0.76 -0.11 0.00 -2.23 0.00 0.00 60.65 57.46 1x96 s ILE 42 Cb -0.14 -1.46 -0.05 0.00 -1.58 0.00 0.00 42.46 39.24 1x96 s ILE 42 CO -0.01 0.47 0.20 -0.62 -1.23 0.00 0.00 174.94 173.75 1x96 s ASP 43 N 0.62 6.18 0.33 3.58 -1.08 -0.07 -1.87 116.67 124.36 1x96 s ASP 43 Ca -0.14 0.19 0.03 0.00 -0.52 0.00 0.00 52.55 52.12 1x96 s ASP 43 Cb -0.16 -2.13 -0.05 0.00 -1.46 0.00 0.00 42.92 39.12 1x96 s ASP 43 CO 0.04 0.05 0.08 0.00 0.52 0.00 0.00 175.17 175.86 1x96 s ALA 45 N -3.37 -1.85 0.31 0.00 0.00 -1.26 -3.75 121.76 111.85 1x96 s ALA 45 Ca 0.33 1.70 0.01 0.00 0.00 0.00 0.00 51.96 54.01 1x96 s ALA 45 Cb 0.07 -0.81 0.55 0.00 0.00 0.00 0.00 23.12 22.93 1x96 s ALA 45 CO 0.15 -0.32 1.93 1.25 0.00 0.00 0.00 175.76 178.77 1x96 h HIS 46 N 3.77 1.00 0.00 0.00 -0.00 -1.97 -1.55 115.15 116.39 1x96 h HIS 46 Ca -0.26 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.13 1x96 h HIS 46 Cb 1.16 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 28.24 1x96 h HIS 46 CO 0.35 0.55 0.00 1.55 -0.00 0.00 0.00 177.93 180.38 1x96 n VAL 47 N -4.47 0.88 0.61 5.26 3.14 -1.26 -1.92 118.33 120.56 1x96 n VAL 47 Ca 0.12 0.30 0.13 0.00 -2.96 0.00 0.00 64.34 61.93 1x96 n VAL 47 Cb 0.17 -1.24 0.45 0.00 -1.06 0.00 0.00 33.84 32.16 1x96 n VAL 47 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 1x96 n TYR 48 N -2.20 0.74 -2.25 1.45 4.01 -0.58 -4.92 117.16 113.41 1x96 n TYR 48 Ca 0.02 0.24 -0.17 0.00 -0.16 0.00 0.00 57.90 57.83 1x96 n TYR 48 Cb 0.20 -0.89 -0.01 0.00 -0.31 0.00 0.00 39.34 38.33 1x96 n TYR 48 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1x96 n GLN 49 N -2.13 -1.33 -0.28 -0.72 6.02 -0.81 -4.80 117.38 113.33 1x96 n GLN 49 Ca 0.05 0.84 0.01 0.00 -0.01 0.00 0.00 57.00 57.89 1x96 n GLN 49 Cb 0.35 -5.26 0.01 0.00 1.02 0.00 0.00 30.24 26.36 1x96 n GLN 49 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1x96 n ASN 50 N -1.18 0.23 0.11 1.08 0.23 -1.26 -4.85 115.26 109.61 1x96 n ASN 50 Ca -0.20 -1.73 0.02 0.00 -0.53 0.00 0.00 54.58 52.14 1x96 n ASN 50 Cb 0.64 -0.14 0.37 0.00 -2.08 0.00 0.00 39.78 38.57 1x96 n ASN 50 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1x96 h GLU 51 N 0.00 0.24 -0.62 -3.83 5.08 -1.89 -1.39 114.58 112.18 1x96 h GLU 51 Ca 0.00 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1x96 h GLU 51 Cb 1.20 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1x96 h GLU 51 CO 0.00 0.41 0.41 -0.97 -1.00 0.00 0.00 179.01 177.86 1x96 h ASN 52 N 0.23 0.70 0.26 1.42 -1.24 -1.89 0.18 115.58 115.24 1x96 h ASN 52 Ca 0.04 -0.02 -0.16 0.00 0.71 0.00 0.00 56.30 56.88 1x96 h ASN 52 Cb 0.43 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.30 1x96 h ASN 52 CO 0.03 0.51 -0.64 -0.33 -1.29 0.00 0.00 177.43 175.71 1x96 h GLU 53 N 0.83 0.36 -0.48 6.67 3.07 -1.72 -1.03 114.58 122.29 1x96 h GLU 53 Ca 0.23 -0.26 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1x96 h GLU 53 Cb -0.08 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 1x96 h GLU 53 CO -0.06 0.88 0.28 0.28 -1.40 0.00 0.00 179.01 178.99 1x96 h VAL 54 N 0.26 1.15 -0.68 3.13 2.07 -1.03 -2.89 116.25 118.26 1x96 h VAL 54 Ca -0.01 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1x96 h VAL 54 Cb 1.17 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1x96 h VAL 54 CO 0.11 0.16 0.45 1.23 0.02 0.00 0.00 177.57 179.54 1x96 h GLY 55 N 0.63 0.95 0.72 2.17 0.00 -0.48 -1.64 103.07 105.43 1x96 h GLY 55 Ca 0.17 -0.35 0.06 0.00 0.00 0.00 0.00 47.33 47.22 1x96 h GLY 55 CO -0.03 0.33 0.59 -2.08 0.00 0.00 0.00 176.54 175.34 1x96 h VAL 56 N 0.89 1.06 -0.17 4.60 2.07 -0.99 0.17 116.25 123.89 1x96 h VAL 56 Ca 0.26 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 1x96 h VAL 56 Cb -0.05 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.62 1x96 h VAL 56 CO -0.06 0.19 -0.05 0.00 0.02 0.00 0.00 177.57 177.67 1x96 h ALA 57 N 1.43 0.24 -0.53 1.67 0.00 -1.25 -0.89 119.26 119.92 1x96 h ALA 57 Ca 0.40 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1x96 h ALA 57 Cb 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1x96 h ALA 57 CO -0.18 0.01 0.32 0.82 0.00 0.00 0.00 179.25 180.22 1x96 h ILE 58 N 0.03 1.06 -0.50 0.00 2.04 -0.98 -1.90 117.51 117.27 1x96 h ILE 58 Ca 0.04 -0.22 -0.11 0.00 1.00 0.00 0.00 64.86 65.57 1x96 h ILE 58 Cb 0.49 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1x96 h ILE 58 CO 0.02 0.12 -0.13 -0.61 0.00 0.00 0.00 178.15 177.55 1x96 h GLN 59 N 0.64 0.94 -0.71 2.37 5.75 -0.90 -0.18 115.11 123.02 1x96 h GLN 59 Ca 0.21 -0.35 -0.02 0.00 -0.15 0.00 0.00 58.65 58.35 1x96 h GLN 59 Cb 0.01 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 1x96 h GLN 59 CO -0.09 1.01 0.38 1.49 -2.65 0.00 0.00 178.83 178.97 1x96 h GLU 60 N 0.84 0.99 0.02 1.69 4.22 -0.78 0.85 114.58 122.41 1x96 h GLU 60 Ca 0.13 -0.11 -0.23 0.00 0.08 0.00 0.00 59.36 59.22 1x96 h GLU 60 Cb 0.67 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1x96 h GLU 60 CO 0.05 0.74 -1.14 0.87 -2.18 0.00 0.00 179.01 177.35 1x96 h LYS 61 N 1.00 0.05 -0.30 1.92 1.79 -0.98 -1.92 116.57 118.12 1x96 h LYS 61 Ca 0.25 -0.08 -0.08 0.00 -2.18 0.00 0.00 60.65 58.56 1x96 h LYS 61 Cb 0.05 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1x96 h LYS 61 CO -0.04 0.98 -0.12 -0.07 -1.08 0.00 0.00 179.45 179.11 1x96 h LEU 62 N 0.01 0.64 -0.62 2.94 3.38 -0.77 -1.75 115.31 119.14 1x96 h LEU 62 Ca -0.07 -0.40 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 1x96 h LEU 62 Cb 1.84 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.39 1x96 h LEU 62 CO 0.14 0.89 0.08 -0.09 0.09 0.00 0.00 178.44 179.54 1x96 h ARG 63 N 0.38 1.03 0.00 1.13 2.43 -0.82 -1.37 114.38 117.17 1x96 h ARG 63 Ca 0.07 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1x96 h ARG 63 Cb 0.64 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1x96 h ARG 63 CO 0.04 0.98 0.00 0.39 -1.51 0.00 0.00 179.97 179.87 1x96 n GLU 64 N -4.26 0.28 -2.92 0.20 1.02 -0.73 -4.90 120.64 109.34 1x96 n GLU 64 Ca 0.03 0.09 -0.22 0.00 -0.02 0.00 0.00 57.16 57.04 1x96 n GLU 64 Cb 0.30 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.24 1x96 n GLU 64 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1x96 n GLN 65 N -1.30 -4.28 0.07 3.49 6.02 -0.52 -4.88 117.38 115.99 1x96 n GLN 65 Ca 0.10 0.92 -0.02 0.00 -0.01 0.00 0.00 57.00 57.99 1x96 n GLN 65 Cb 0.17 -5.74 0.25 0.00 1.02 0.00 0.00 30.24 25.94 1x96 n GLN 65 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1x96 h VAL 66 N -1.12 1.27 -3.62 5.09 2.07 -1.59 -3.46 116.25 114.89 1x96 h VAL 66 Ca -0.52 -1.28 -0.08 0.00 0.82 0.00 0.00 66.70 65.64 1x96 h VAL 66 Cb 1.36 1.46 -0.14 0.00 -1.52 0.00 0.00 31.29 32.45 1x96 h VAL 66 CO 0.57 0.39 -0.28 0.68 0.02 0.00 0.00 177.57 178.96 1x96 s VAL 67 N -4.39 0.11 0.14 2.57 -7.23 -1.23 -5.07 120.40 105.29 1x96 s VAL 67 Ca -0.06 -0.94 -0.04 0.00 -1.81 0.00 0.00 61.98 59.14 1x96 s VAL 67 Cb 0.14 -1.21 -0.05 0.00 0.56 0.00 0.00 36.38 35.82 1x96 s VAL 67 CO 0.77 -0.52 0.35 -0.54 -0.31 0.00 0.00 175.10 174.86 1x96 s LYS 68 N -3.58 3.58 0.35 4.82 1.02 -1.26 -4.41 119.74 120.26 1x96 s LYS 68 Ca 0.02 -0.17 0.06 0.00 0.02 0.00 0.00 55.97 55.90 1x96 s LYS 68 Cb 0.03 -2.87 0.71 0.00 -0.52 0.00 0.00 37.83 35.18 1x96 s LYS 68 CO -0.10 0.48 1.92 -0.09 -0.92 0.00 0.00 175.35 176.64 1x96 h ARG 69 N 2.77 0.78 0.00 1.68 9.65 -1.95 -0.97 114.38 126.34 1x96 h ARG 69 Ca -0.46 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.37 1x96 h ARG 69 Cb 1.17 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 29.57 1x96 h ARG 69 CO 0.73 0.51 -0.01 1.05 2.80 0.00 0.00 179.97 185.05 1x96 h GLU 70 N 0.80 0.00 0.00 0.20 4.11 -2.03 -1.86 114.58 115.80 1x96 h GLU 70 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.80 1x96 h GLU 70 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1x96 h GLU 70 CO -0.14 0.01 -0.54 0.39 0.07 0.00 0.00 179.01 178.80 1x96 n GLU 71 N -3.12 0.22 -3.52 1.06 1.02 -0.37 -4.87 120.64 111.06 1x96 n GLU 71 Ca -0.01 0.07 -0.32 0.00 -0.02 0.00 0.00 57.16 56.88 1x96 n GLU 71 Cb 0.19 -1.64 -0.05 0.00 -0.02 0.00 0.00 31.44 29.91 1x96 n GLU 71 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1x96 s LEU 72 N -3.93 4.22 -0.35 -4.62 1.43 -0.70 -4.83 118.68 109.91 1x96 s LEU 72 Ca 0.08 0.79 0.01 0.00 -1.03 0.00 0.00 54.13 53.98 1x96 s LEU 72 Cb 0.14 -3.49 0.11 0.00 0.03 0.00 0.00 46.19 42.98 1x96 s LEU 72 CO 0.70 -0.01 0.11 0.12 0.23 0.00 0.00 176.35 177.51 1x96 s PHE 73 N -1.72 2.42 -0.19 0.29 2.19 0.19 -4.94 117.98 116.22 1x96 s PHE 73 Ca 0.44 -2.28 -0.07 0.00 0.33 0.00 0.00 56.93 55.35 1x96 s PHE 73 Cb -0.12 -2.15 -0.04 0.00 -1.31 0.00 0.00 43.02 39.40 1x96 s PHE 73 CO 0.22 -0.88 0.05 0.42 1.83 0.00 0.00 175.22 176.86 1x96 s ILE 74 N 1.13 4.56 -0.08 3.12 -1.09 -1.26 -2.29 121.20 125.29 1x96 s ILE 74 Ca 0.12 -0.11 0.03 0.00 -2.23 0.00 0.00 60.65 58.45 1x96 s ILE 74 Cb -0.19 -3.06 -0.02 0.00 -1.58 0.00 0.00 42.46 37.61 1x96 s ILE 74 CO -0.15 0.44 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.15 1x96 s VAL 75 N 0.58 2.82 0.30 2.92 1.01 -0.78 -1.59 120.40 125.65 1x96 s VAL 75 Ca 0.02 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.28 1x96 s VAL 75 Cb -0.13 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1x96 s VAL 75 CO 0.01 0.56 0.24 -0.24 0.00 0.00 0.00 175.10 175.68 1x96 n SER 76 N 2.88 -0.47 -3.81 3.32 2.88 -0.80 -0.80 113.62 116.83 1x96 n SER 76 Ca -0.18 -2.93 -0.13 0.00 -1.33 0.00 0.00 58.87 54.30 1x96 n SER 76 Cb 0.52 1.43 -0.13 0.00 -0.75 0.00 0.00 64.21 65.28 1x96 n SER 76 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1x96 s LYS 77 N -3.21 0.17 -0.22 -1.46 1.02 -1.25 -1.17 119.74 113.62 1x96 s LYS 77 Ca 0.34 0.23 -0.29 0.00 0.02 0.00 0.00 55.97 56.26 1x96 s LYS 77 Cb 0.02 0.06 -0.00 0.00 -0.52 0.00 0.00 37.83 37.38 1x96 s LYS 77 CO 0.24 -0.04 1.20 -1.17 -0.92 0.00 0.00 175.35 174.67 1x96 s LEU 78 N 0.19 4.08 0.63 3.17 2.96 0.75 -3.83 118.68 126.63 1x96 s LEU 78 Ca -0.01 1.47 -0.14 0.00 -0.22 0.00 0.00 54.13 55.23 1x96 s LEU 78 Cb -0.02 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.11 1x96 s LEU 78 CO -0.00 -0.82 1.05 0.86 -1.32 0.00 0.00 176.35 176.12 1x96 s TRP 79 N 3.63 3.08 0.54 5.38 -0.11 -1.26 -1.94 118.94 128.26 1x96 s TRP 79 Ca 0.52 1.47 0.26 0.00 1.22 0.00 0.00 56.10 59.56 1x96 s TRP 79 Cb -0.18 -2.93 1.42 0.00 -1.50 0.00 0.00 33.47 30.27 1x96 s TRP 79 CO 0.14 -1.11 1.99 0.00 -4.62 0.00 0.00 176.95 173.35 1x96 n THR 81 N -4.30 0.14 -1.38 0.00 -2.24 -1.26 -0.37 114.28 104.87 1x96 n THR 81 Ca 0.10 -0.18 0.08 0.00 -2.27 0.00 0.00 64.05 61.77 1x96 n THR 81 Cb 0.61 0.05 0.15 0.00 -2.10 0.00 0.00 70.33 69.05 1x96 n THR 81 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1x96 n TYR 82 N -0.18 0.00 0.42 4.78 4.01 -0.63 -4.14 117.16 121.42 1x96 n TYR 82 Ca 0.12 -1.11 0.11 0.00 -0.16 0.00 0.00 57.90 56.86 1x96 n TYR 82 Cb 0.18 -0.18 0.47 0.00 -0.31 0.00 0.00 39.34 39.50 1x96 n TYR 82 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1x96 n HIS 83 N -1.16 0.73 -1.87 -0.72 8.25 -1.23 -3.95 115.22 115.28 1x96 n HIS 83 Ca 0.16 0.28 -0.41 0.00 -0.26 0.00 0.00 57.72 57.49 1x96 n HIS 83 Cb 0.68 -0.96 -0.01 0.00 1.12 0.00 0.00 29.99 30.83 1x96 n HIS 83 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1x96 s GLU 84 N -3.27 4.16 0.24 -0.41 8.01 -1.26 -4.47 118.70 121.69 1x96 s GLU 84 Ca 0.05 2.50 -0.05 0.00 0.01 0.00 0.00 54.97 57.48 1x96 s GLU 84 Cb 0.09 -2.99 0.46 0.00 -4.31 0.00 0.00 34.13 27.39 1x96 s GLU 84 CO 0.39 -0.46 1.69 -0.22 0.01 0.00 0.00 175.26 176.66 1x96 h LYS 85 N 3.07 0.27 0.00 1.61 3.64 -1.88 -0.68 116.57 122.60 1x96 h LYS 85 Ca -0.50 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1x96 h LYS 85 Cb 1.24 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1x96 h LYS 85 CO 0.64 0.18 0.00 0.41 -2.27 0.00 0.00 179.45 178.41 1x96 n GLY 86 N -1.35 -1.01 0.00 5.01 0.00 -1.26 -3.43 105.19 103.16 1x96 n GLY 86 Ca 0.14 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.09 1x96 n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x96 n LEU 87 N -1.18 0.08 -0.13 0.99 4.77 -0.28 -4.73 117.00 116.52 1x96 n LEU 87 Ca 0.15 -0.07 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 1x96 n LEU 87 Cb 0.16 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1x96 n LEU 87 CO 0.18 0.02 0.86 0.58 -1.33 0.00 0.00 177.39 177.69 1x96 h VAL 88 N 0.00 1.23 -0.61 4.08 2.07 -1.51 -2.14 116.25 119.36 1x96 h VAL 88 Ca 0.00 -0.77 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 1x96 h VAL 88 Cb 0.52 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1x96 h VAL 88 CO 0.00 0.27 0.16 0.50 0.02 0.00 0.00 177.57 178.52 1x96 h LYS 89 N 0.47 0.97 -0.25 1.57 3.64 -1.85 -1.30 116.57 119.81 1x96 h LYS 89 Ca 0.12 -0.22 -0.10 0.00 -1.27 0.00 0.00 60.65 59.17 1x96 h LYS 89 Cb 0.31 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1x96 h LYS 89 CO 0.00 0.88 -0.29 0.78 -2.27 0.00 0.00 179.45 178.55 1x96 h GLY 90 N 0.89 0.55 0.99 5.01 0.00 -1.81 -0.07 103.07 108.62 1x96 h GLY 90 Ca 0.19 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 1x96 h GLY 90 CO -0.00 0.43 0.17 0.00 0.00 0.00 0.00 176.54 177.15 1x96 h ALA 91 N 1.25 0.71 -0.60 3.60 0.00 -1.04 -0.10 119.26 123.08 1x96 h ALA 91 Ca 0.06 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1x96 h ALA 91 Cb 0.73 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1x96 h ALA 91 CO 0.06 0.37 0.19 0.00 0.00 0.00 0.00 179.25 179.87 1x96 h GLN 93 N 0.85 0.24 -0.35 0.00 5.75 -0.82 0.49 115.11 121.27 1x96 h GLN 93 Ca 0.19 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.58 1x96 h GLN 93 Cb 0.28 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 1x96 h GLN 93 CO -0.01 0.53 0.13 -0.22 -2.65 0.00 0.00 178.83 176.62 1x96 h LYS 94 N 0.21 0.53 -0.48 1.69 1.63 -0.84 -0.00 116.57 119.31 1x96 h LYS 94 Ca 0.03 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 1x96 h LYS 94 Cb 0.66 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.18 1x96 h LYS 94 CO 0.05 0.53 0.27 1.15 -3.45 0.00 0.00 179.45 178.00 1x96 h THR 95 N 0.42 1.16 -0.72 1.00 2.02 -0.94 -0.09 112.91 115.77 1x96 h THR 95 Ca 0.12 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.90 1x96 h THR 95 Cb 0.21 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1x96 h THR 95 CO -0.01 0.17 0.48 -0.07 0.37 0.00 0.00 175.52 176.46 1x96 h LEU 96 N 0.64 0.81 -0.44 2.58 3.38 -0.70 -0.06 115.31 121.52 1x96 h LEU 96 Ca 0.17 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1x96 h LEU 96 Cb 0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1x96 h LEU 96 CO -0.03 0.58 0.16 0.28 0.09 0.00 0.00 178.44 179.53 1x96 h SER 97 N 0.96 0.61 -0.65 -0.43 0.02 -0.76 0.33 113.55 113.63 1x96 h SER 97 Ca 0.27 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 1x96 h SER 97 Cb -0.09 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 1x96 h SER 97 CO -0.07 0.63 0.17 0.44 -1.14 0.00 0.00 176.83 176.86 1x96 h ASP 98 N 0.57 1.00 0.94 3.07 3.32 -0.66 -2.54 116.42 122.11 1x96 h ASP 98 Ca 0.14 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1x96 h ASP 98 Cb 0.21 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1x96 h ASP 98 CO -0.01 0.96 0.00 0.18 -1.72 0.00 0.00 179.24 178.65 1x96 n LEU 99 N -4.24 0.00 -2.55 1.55 4.77 -0.07 -4.03 117.00 112.43 1x96 n LEU 99 Ca 0.05 0.50 -0.15 0.00 -0.03 0.00 0.00 56.01 56.37 1x96 n LEU 99 Cb 0.25 -0.50 0.05 0.00 -2.33 0.00 0.00 43.42 40.90 1x96 n LEU 99 CO 0.42 -0.03 0.16 0.29 -1.33 0.00 0.00 177.39 176.90 1x96 n LYS 100 N -1.50 -5.20 -4.44 3.23 4.01 -0.06 -4.45 118.16 109.74 1x96 n LYS 100 Ca 0.07 0.55 -0.25 0.00 -0.51 0.00 0.00 58.31 58.16 1x96 n LYS 100 Cb 0.32 -4.73 -0.11 0.00 -0.51 0.00 0.00 35.03 30.00 1x96 n LYS 100 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1x96 s LEU 101 N -5.14 2.56 0.01 -0.35 1.43 -0.22 -4.93 118.68 112.04 1x96 s LEU 101 Ca 0.36 -0.95 0.22 0.00 -1.03 0.00 0.00 54.13 52.73 1x96 s LEU 101 Cb -0.16 -1.16 -0.10 0.00 0.03 0.00 0.00 46.19 44.81 1x96 s LEU 101 CO 0.48 0.07 0.92 0.47 0.23 0.00 0.00 176.35 178.52 1x96 n ASP 102 N -0.28 0.69 -3.47 2.29 10.43 -1.26 -4.53 116.55 120.42 1x96 n ASP 102 Ca -0.08 -0.55 -0.13 0.00 2.57 0.00 0.00 54.79 56.60 1x96 n ASP 102 Cb 0.58 1.02 -0.03 0.00 1.84 0.00 0.00 41.12 44.53 1x96 n ASP 102 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 1x96 s TYR 103 N -3.13 -0.52 -0.00 1.24 -0.85 -1.26 -4.75 117.35 108.07 1x96 s TYR 103 Ca 0.05 0.52 -0.02 0.00 -0.52 0.00 0.00 57.07 57.10 1x96 s TYR 103 Cb 0.15 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.97 1x96 s TYR 103 CO 0.84 -0.70 0.15 -0.51 -1.52 0.00 0.00 175.55 173.81 1x96 s LEU 104 N -2.22 4.22 0.22 -3.49 1.43 -0.51 -4.99 118.68 113.34 1x96 s LEU 104 Ca -0.01 0.28 0.05 0.00 -1.03 0.00 0.00 54.13 53.41 1x96 s LEU 104 Cb -0.01 -2.53 0.19 0.00 0.03 0.00 0.00 46.19 43.87 1x96 s LEU 104 CO -0.06 0.26 1.51 0.44 0.23 0.00 0.00 176.35 178.73 1x96 h ASP 105 N 3.85 0.24 -3.47 2.29 3.32 -1.64 0.77 116.42 121.77 1x96 h ASP 105 Ca -0.49 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.28 1x96 h ASP 105 Cb 1.18 -0.07 -0.26 0.00 0.22 0.00 0.00 39.33 40.40 1x96 h ASP 105 CO 0.67 0.85 -0.31 -0.22 -1.72 0.00 0.00 179.24 178.51 1x96 s LEU 106 N -7.74 0.20 -0.09 1.55 2.96 -1.12 -2.16 118.68 112.29 1x96 s LEU 106 Ca -0.03 0.80 0.02 0.00 -0.22 0.00 0.00 54.13 54.69 1x96 s LEU 106 Cb 0.11 1.25 0.01 0.00 0.50 0.00 0.00 46.19 48.07 1x96 s LEU 106 CO 0.80 -0.17 -0.13 -0.47 -1.32 0.00 0.00 176.35 175.07 1x96 s TYR 107 N 0.95 1.65 0.01 5.38 5.04 -0.38 -1.90 117.35 128.11 1x96 s TYR 107 Ca -0.06 -0.70 0.04 0.00 -2.44 0.00 0.00 57.07 53.91 1x96 s TYR 107 Cb -0.07 -1.22 -0.03 0.00 0.35 0.00 0.00 41.96 40.99 1x96 s TYR 107 CO -0.07 -0.38 -0.07 -0.51 -1.34 0.00 0.00 175.55 173.17 1x96 s LEU 108 N 0.90 3.13 -0.18 6.97 1.43 -0.32 -1.07 118.68 129.55 1x96 s LEU 108 Ca -0.09 -0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 52.53 1x96 s LEU 108 Cb -0.15 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 1x96 s LEU 108 CO 0.01 0.27 1.44 -0.63 0.23 0.00 0.00 176.35 177.67 1x96 s ILE 109 N -1.01 3.96 0.17 -0.59 1.01 -0.31 -0.18 121.20 124.25 1x96 s ILE 109 Ca 0.17 1.12 -0.10 0.00 0.00 0.00 0.00 60.65 61.85 1x96 s ILE 109 Cb -0.11 -3.84 0.04 0.00 0.01 0.00 0.00 42.46 38.56 1x96 s ILE 109 CO 0.08 -0.23 1.60 -0.74 0.00 0.00 0.00 174.94 175.65 1x96 h HIS 110 N 9.35 1.17 -4.09 3.97 2.76 -1.67 -0.97 115.15 125.68 1x96 h HIS 110 Ca -0.31 -0.24 -0.14 0.00 -2.20 0.00 0.00 60.37 57.48 1x96 h HIS 110 Cb 1.13 -0.29 -0.18 0.00 1.55 0.00 0.00 27.41 29.62 1x96 h HIS 110 CO 0.86 1.07 -0.67 -1.58 -1.30 0.00 0.00 177.93 176.31 1x96 s TRP 111 N -4.86 0.38 -0.52 5.26 0.52 -1.25 -4.31 118.94 114.15 1x96 s TRP 111 Ca -0.12 -0.78 0.23 0.00 0.02 0.00 0.00 56.10 55.45 1x96 s TRP 111 Cb 0.13 -0.28 0.96 0.00 -1.15 0.00 0.00 33.47 33.13 1x96 s TRP 111 CO 0.87 -0.30 1.70 -0.35 0.02 0.00 0.00 176.95 178.89 1x96 n PRO 112 N 0.82 0.18 -3.02 4.98 -0.04 -1.26 -4.71 135.00 131.96 1x96 n PRO 112 Ca -0.19 0.41 -0.41 0.00 -0.04 0.00 0.00 63.50 63.27 1x96 n PRO 112 Cb 0.58 -1.85 -0.06 0.00 -0.04 0.00 0.00 33.50 32.14 1x96 n PRO 112 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1x96 s THR 113 N -3.29 4.88 0.14 0.52 -4.23 -1.26 -4.74 115.64 107.65 1x96 s THR 113 Ca 0.04 1.15 -0.17 0.00 -1.18 0.00 0.00 61.69 61.54 1x96 s THR 113 Cb 0.09 -4.06 -0.07 0.00 1.34 0.00 0.00 72.50 69.81 1x96 s THR 113 CO 0.39 -0.13 0.58 -0.83 -0.54 0.00 0.00 174.62 174.08 1x96 s GLY 114 N 1.55 2.54 0.25 3.99 0.00 -1.26 -4.61 107.32 109.78 1x96 s GLY 114 Ca 0.29 -0.04 0.11 0.00 0.00 0.00 0.00 44.72 45.09 1x96 s GLY 114 CO 0.11 0.29 -0.17 -1.36 0.00 0.00 0.00 173.10 171.97 1x96 s PHE 115 N -1.37 2.38 -0.05 1.90 0.08 0.50 -1.47 117.98 119.95 1x96 s PHE 115 Ca 0.36 -0.31 -0.37 0.00 0.12 0.00 0.00 56.93 56.73 1x96 s PHE 115 Cb -0.17 -1.08 -0.15 0.00 -0.57 0.00 0.00 43.02 41.05 1x96 s PHE 115 CO 0.19 0.63 1.61 1.17 -0.10 0.00 0.00 175.22 178.72 1x96 n LYS 116 N -0.38 1.50 -1.41 0.44 4.81 0.01 -4.15 118.16 118.97 1x96 n LYS 116 Ca -0.08 0.54 -0.33 0.00 -0.87 0.00 0.00 58.31 57.58 1x96 n LYS 116 Cb 0.58 -2.26 0.09 0.00 0.02 0.00 0.00 35.03 33.46 1x96 n LYS 116 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1x96 s PRO 117 N 2.17 2.25 0.00 1.64 0.02 -1.26 -4.80 135.00 135.02 1x96 s PRO 117 Ca 0.89 1.47 0.00 0.00 0.02 0.00 0.00 61.00 63.39 1x96 s PRO 117 Cb -0.90 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 31.75 1x96 s PRO 117 CO 0.52 -1.69 0.00 0.41 -0.33 0.00 0.00 177.00 175.91 1x96 n GLY 118 N -0.30 -1.15 0.18 0.52 0.00 -1.26 -4.98 105.19 98.20 1x96 n GLY 118 Ca 0.11 -1.47 -0.04 0.00 0.00 0.00 0.00 46.02 44.62 1x96 n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x96 h LYS 119 N 2.14 0.27 -6.40 1.61 1.57 -1.99 -3.44 116.57 110.33 1x96 h LYS 119 Ca 0.00 -0.16 -0.54 0.00 -1.87 0.00 0.00 60.65 58.07 1x96 h LYS 119 Cb 0.00 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1x96 h LYS 119 CO 0.00 0.74 0.46 -1.21 -0.57 0.00 0.00 179.45 178.87 1x96 s GLU 120 N -3.90 4.50 0.39 3.15 2.02 -1.26 -4.94 118.70 118.67 1x96 s GLU 120 Ca -0.04 1.51 0.18 0.00 0.02 0.00 0.00 54.97 56.64 1x96 s GLU 120 Cb 0.12 -3.45 0.81 0.00 0.10 0.00 0.00 34.13 31.72 1x96 s GLU 120 CO 0.79 -0.15 1.82 0.74 0.02 0.00 0.00 175.26 178.48 1x96 h PHE 121 N 6.88 0.00 -2.89 1.61 0.04 -1.96 -3.35 116.94 117.26 1x96 h PHE 121 Ca -0.39 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 59.76 1x96 h PHE 121 Cb 1.21 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 38.95 1x96 h PHE 121 CO 0.68 0.34 -0.72 -0.06 -0.60 0.00 0.00 178.31 177.96 1x96 s PHE 122 N -3.89 2.52 -0.05 -0.55 0.40 -1.26 -4.72 117.98 110.43 1x96 s PHE 122 Ca -0.01 -2.85 -0.30 0.00 -0.60 0.00 0.00 56.93 53.17 1x96 s PHE 122 Cb 0.12 -2.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.56 1x96 s PHE 122 CO 0.68 -0.69 1.38 -1.25 0.70 0.00 0.00 175.22 176.05 1x96 s PRO 123 N -0.56 4.27 0.24 0.24 0.04 -1.26 -4.97 135.00 133.00 1x96 s PRO 123 Ca 0.25 1.89 0.10 0.00 0.04 0.00 0.00 61.00 63.28 1x96 s PRO 123 Cb -0.08 -3.67 -0.05 0.00 0.04 0.00 0.00 34.50 30.74 1x96 s PRO 123 CO -0.12 -0.63 -0.13 -0.51 0.04 0.00 0.00 177.00 175.65 1x96 s LEU 124 N 2.85 2.83 0.00 -3.56 1.43 -1.26 -0.40 118.68 120.57 1x96 s LEU 124 Ca 0.62 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1x96 s LEU 124 Cb -0.29 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.52 1x96 s LEU 124 CO 0.24 0.06 0.00 -0.90 0.23 0.00 0.00 176.35 175.97 1x96 n ASP 125 N -0.40 0.00 0.00 2.29 3.85 0.56 -4.75 116.55 118.09 1x96 n ASP 125 Ca -0.08 -0.67 0.05 0.00 -0.71 0.00 0.00 54.79 53.38 1x96 n ASP 125 Cb 0.58 0.00 0.27 0.00 -1.35 0.00 0.00 41.12 40.62 1x96 n ASP 125 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1x96 n GLU 126 N -0.67 0.54 0.00 0.11 0.00 -1.26 -1.27 120.64 118.10 1x96 n GLU 126 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1x96 n GLU 126 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 31.44 30.18 1x96 n GLU 126 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1x96 n SER 127 N -0.76 0.00 0.00 -1.84 7.64 -1.26 -5.07 113.62 112.33 1x96 n SER 127 Ca 0.07 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1x96 n SER 127 Cb 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1x96 n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x96 n GLY 128 N 0.00 3.43 3.77 0.23 0.00 -0.39 -5.05 105.19 107.18 1x96 n GLY 128 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1x96 n GLY 128 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x96 s ASN 129 N -0.83 4.16 0.21 1.61 3.84 -1.26 -4.40 114.94 118.27 1x96 s ASN 129 Ca 0.00 1.40 -0.30 0.00 0.21 0.00 0.00 52.86 54.17 1x96 s ASN 129 Cb 0.00 -2.12 -0.08 0.00 -0.55 0.00 0.00 41.25 38.50 1x96 s ASN 129 CO 0.00 -2.19 1.14 0.54 -2.79 0.00 0.00 177.10 173.80 1x96 s VAL 130 N -3.06 3.61 -0.43 -5.21 0.11 -1.19 -0.32 120.40 113.90 1x96 s VAL 130 Ca 0.62 1.44 -0.27 0.00 -2.93 0.00 0.00 61.98 60.84 1x96 s VAL 130 Cb -0.16 -3.92 0.02 0.00 -1.53 0.00 0.00 36.38 30.80 1x96 s VAL 130 CO 0.55 0.27 0.99 -0.69 -3.33 0.00 0.00 175.10 172.89 1x96 s VAL 131 N -0.46 4.44 0.81 2.04 1.01 0.46 -4.84 120.40 123.86 1x96 s VAL 131 Ca 0.49 1.06 -0.11 0.00 0.00 0.00 0.00 61.98 63.42 1x96 s VAL 131 Cb -0.32 -4.45 0.08 0.00 0.00 0.00 0.00 36.38 31.69 1x96 s VAL 131 CO 0.38 -0.77 1.09 -2.84 0.00 0.00 0.00 175.10 172.95 1x96 s PRO 132 N 3.85 1.97 0.14 2.72 0.02 -1.26 -0.81 135.00 141.63 1x96 s PRO 132 Ca 0.41 0.89 0.03 0.00 0.02 0.00 0.00 61.00 62.35 1x96 s PRO 132 Cb -0.10 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 1x96 s PRO 132 CO 0.25 -1.77 0.23 -1.54 -0.33 0.00 0.00 177.00 173.84 1x96 s SER 133 N -3.58 6.11 -0.05 2.53 1.04 -0.54 -3.69 113.70 115.52 1x96 s SER 133 Ca 0.61 0.10 0.05 0.00 0.48 0.00 0.00 55.95 57.20 1x96 s SER 133 Cb -0.16 -1.78 0.24 0.00 0.10 0.00 0.00 66.02 64.41 1x96 s SER 133 CO 0.56 0.07 1.00 -0.67 0.98 0.00 0.00 173.24 175.18 1x96 n ASP 134 N -0.38 2.01 -4.77 7.02 2.03 -1.26 -4.76 116.55 116.45 1x96 n ASP 134 Ca -0.07 -2.18 -0.39 0.00 0.52 0.00 0.00 54.79 52.67 1x96 n ASP 134 Cb 0.54 -0.41 -0.00 0.00 -0.72 0.00 0.00 41.12 40.53 1x96 n ASP 134 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1x96 s THR 135 N -1.60 2.77 0.35 5.18 -4.23 -1.26 -5.05 115.64 111.79 1x96 s THR 135 Ca 0.16 0.65 0.08 0.00 -1.18 0.00 0.00 61.69 61.41 1x96 s THR 135 Cb 0.11 -3.37 -0.04 0.00 1.34 0.00 0.00 72.50 70.54 1x96 s THR 135 CO 0.07 0.07 0.13 0.54 -0.54 0.00 0.00 174.62 174.89 1x96 s ASN 136 N -0.94 4.60 0.29 3.99 2.20 -1.26 -4.82 114.94 119.00 1x96 s ASN 136 Ca 0.59 -0.83 0.03 0.00 -0.94 0.00 0.00 52.86 51.71 1x96 s ASN 136 Cb -0.35 -0.68 0.62 0.00 -2.00 0.00 0.00 41.25 38.84 1x96 s ASN 136 CO 0.44 -0.32 1.83 0.40 -2.94 0.00 0.00 177.10 176.51 1x96 h ILE 137 N 1.56 0.87 -0.31 0.54 5.03 -1.97 -2.55 117.51 120.67 1x96 h ILE 137 Ca -0.43 -0.32 -0.16 0.00 -0.12 0.00 0.00 64.86 63.83 1x96 h ILE 137 Cb 1.25 -0.14 -0.01 0.00 -3.03 0.00 0.00 36.82 34.90 1x96 h ILE 137 CO 0.64 0.17 -0.42 -0.07 -0.68 0.00 0.00 178.15 177.79 1x96 h LEU 138 N 0.92 0.84 -0.65 1.44 3.38 -1.95 0.11 115.31 119.41 1x96 h LEU 138 Ca 0.51 -0.40 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 1x96 h LEU 138 Cb 0.60 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1x96 h LEU 138 CO -0.29 1.15 -0.63 0.44 0.09 0.00 0.00 178.44 179.21 1x96 h ASP 139 N 0.64 0.21 -0.51 -0.43 3.45 -1.91 -1.59 116.42 116.28 1x96 h ASP 139 Ca 0.05 -0.13 -0.05 0.00 0.43 0.00 0.00 57.03 57.33 1x96 h ASP 139 Cb 0.99 -0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 39.68 1x96 h ASP 139 CO 0.09 0.78 0.11 0.74 -1.57 0.00 0.00 179.24 179.40 1x96 h THR 140 N 0.13 1.24 -0.71 0.35 2.02 -1.19 -1.81 112.91 112.95 1x96 h THR 140 Ca -0.01 -0.88 0.03 0.00 0.77 0.00 0.00 66.41 66.32 1x96 h THR 140 Cb 1.14 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 68.34 1x96 h THR 140 CO 0.09 0.32 0.45 -0.25 0.37 0.00 0.00 175.52 176.50 1x96 h TRP 141 N 0.71 0.84 -0.82 3.16 2.91 -0.80 -1.14 115.95 120.82 1x96 h TRP 141 Ca 0.16 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.24 1x96 h TRP 141 Cb 0.35 -0.28 -0.05 0.00 -0.51 0.00 0.00 29.16 28.68 1x96 h TRP 141 CO 0.02 0.49 0.54 0.00 -1.03 0.00 0.00 178.44 178.47 1x96 h ALA 142 N 1.29 1.52 -0.48 2.65 0.00 -1.04 0.47 119.26 123.68 1x96 h ALA 142 Ca 0.28 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1x96 h ALA 142 Cb -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1x96 h ALA 142 CO -0.10 0.39 0.06 0.00 0.00 0.00 0.00 179.25 179.60 1x96 h ALA 143 N 1.53 1.21 -0.67 0.00 0.00 -0.41 -2.27 119.26 118.65 1x96 h ALA 143 Ca 0.33 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1x96 h ALA 143 Cb 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1x96 h ALA 143 CO -0.10 0.53 0.23 0.52 0.00 0.00 0.00 179.25 180.43 1x96 h MET 144 N 0.72 1.03 -0.57 0.00 2.07 -0.09 -2.63 114.93 115.45 1x96 h MET 144 Ca 0.15 -0.21 0.03 0.00 -2.07 0.00 0.00 59.70 57.60 1x96 h MET 144 Cb 0.35 -0.15 -0.03 0.00 -1.87 0.00 0.00 31.60 29.90 1x96 h MET 144 CO 0.01 0.88 0.38 0.93 1.07 0.00 0.00 176.91 180.17 1x96 h GLU 145 N 0.96 0.67 -0.29 1.72 5.08 -0.43 -1.29 114.58 121.00 1x96 h GLU 145 Ca 0.22 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1x96 h GLU 145 Cb 0.26 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1x96 h GLU 145 CO -0.01 0.45 0.16 0.93 -1.00 0.00 0.00 179.01 179.53 1x96 h GLU 146 N 0.69 0.39 -0.51 2.33 5.08 -1.05 -2.11 114.58 119.40 1x96 h GLU 146 Ca 0.22 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1x96 h GLU 146 Cb 0.04 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1x96 h GLU 146 CO -0.06 0.29 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.09 1x96 h LEU 147 N 0.40 0.92 -0.36 1.33 3.38 -1.12 -0.76 115.31 119.10 1x96 h LEU 147 Ca 0.11 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1x96 h LEU 147 Cb 0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1x96 h LEU 147 CO -0.02 1.02 0.22 0.58 0.09 0.00 0.00 178.44 180.34 1x96 h VAL 148 N 0.83 1.11 0.00 1.22 2.07 -1.29 -1.96 116.25 118.24 1x96 h VAL 148 Ca 0.14 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1x96 h VAL 148 Cb 0.61 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1x96 h VAL 148 CO 0.04 0.11 0.00 0.47 0.02 0.00 0.00 177.57 178.21 1x96 n ASP 149 N -4.81 0.27 -0.71 0.57 8.00 -0.92 -1.74 116.55 117.20 1x96 n ASP 149 Ca -0.00 0.56 0.11 0.00 0.71 0.00 0.00 54.79 56.17 1x96 n ASP 149 Cb 0.04 -0.62 0.05 0.00 -0.02 0.00 0.00 41.12 40.57 1x96 n ASP 149 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1x96 n GLU 150 N -1.79 1.72 -0.63 -1.24 1.02 -0.34 -4.97 120.64 114.42 1x96 n GLU 150 Ca 0.03 -1.43 0.00 0.00 -0.02 0.00 0.00 57.16 55.75 1x96 n GLU 150 Cb 0.22 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1x96 n GLU 150 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x96 n GLY 151 N 1.39 0.76 0.14 0.62 0.00 -0.71 -4.94 105.19 102.45 1x96 n GLY 151 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 1x96 n GLY 151 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x96 h LEU 152 N 0.00 0.00 -7.90 0.99 3.38 -1.60 -3.45 115.31 106.73 1x96 h LEU 152 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1x96 h LEU 152 Cb 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.51 1x96 h LEU 152 CO 0.00 0.56 -0.71 0.68 0.09 0.00 0.00 178.44 179.06 1x96 s VAL 153 N -3.13 0.11 -0.14 1.22 -7.23 -1.21 -1.43 120.40 108.60 1x96 s VAL 153 Ca 0.02 -0.56 0.17 0.00 -1.81 0.00 0.00 61.98 59.80 1x96 s VAL 153 Cb 0.09 -0.20 -0.10 0.00 0.56 0.00 0.00 36.38 36.74 1x96 s VAL 153 CO 0.74 -0.28 0.92 0.11 -0.31 0.00 0.00 175.10 176.28 1x96 h LYS 154 N 5.25 0.00 -3.31 4.82 1.79 -0.96 -3.38 116.57 120.78 1x96 h LYS 154 Ca -0.29 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.05 1x96 h LYS 154 Cb 1.21 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.66 1x96 h LYS 154 CO 0.45 0.29 -0.40 0.00 -1.08 0.00 0.00 179.45 178.71 1x96 s ALA 155 N -2.97 -0.52 0.13 3.86 0.00 -0.92 -5.00 121.76 116.35 1x96 s ALA 155 Ca -0.02 0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.08 1x96 s ALA 155 Cb 0.09 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1x96 s ALA 155 CO 0.80 -0.23 -0.19 0.96 0.00 0.00 0.00 175.76 177.10 1x96 s ILE 156 N -1.38 1.74 0.00 0.00 -4.36 -1.26 -1.24 121.20 114.69 1x96 s ILE 156 Ca -0.14 -1.71 0.00 0.00 -0.26 0.00 0.00 60.65 58.53 1x96 s ILE 156 Cb -0.07 -1.68 0.00 0.00 1.25 0.00 0.00 42.46 41.97 1x96 s ILE 156 CO 0.03 -0.19 0.00 0.61 0.24 0.00 0.00 174.94 175.63 1x96 n GLY 157 N 0.71 2.62 3.17 6.27 0.00 -0.23 -0.84 105.19 116.89 1x96 n GLY 157 Ca -0.17 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 1x96 n GLY 157 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x96 s ILE 158 N -2.94 0.36 -0.10 -0.61 -4.36 -0.21 -1.16 121.20 112.18 1x96 s ILE 158 Ca 0.00 -1.92 -0.10 0.00 -0.26 0.00 0.00 60.65 58.37 1x96 s ILE 158 Cb 0.00 -1.98 0.03 0.00 1.25 0.00 0.00 42.46 41.76 1x96 s ILE 158 CO 0.00 -0.57 0.28 -0.55 0.24 0.00 0.00 174.94 174.34 1x96 s SER 159 N -3.07 -0.28 -1.81 4.36 0.15 -0.37 -1.36 113.70 111.31 1x96 s SER 159 Ca 0.21 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1x96 s SER 159 Cb 0.07 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 1x96 s SER 159 CO 0.00 -0.11 0.00 0.59 1.20 0.00 0.00 173.24 174.93 1x96 n ASN 160 N 2.88 -5.63 -4.75 5.45 3.02 -0.35 -3.89 115.26 111.99 1x96 n ASN 160 Ca -0.13 0.11 -0.39 0.00 -0.03 0.00 0.00 54.58 54.14 1x96 n ASN 160 Cb 0.58 -4.71 -0.06 0.00 -0.61 0.00 0.00 39.78 34.99 1x96 n ASN 160 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1x96 s PHE 161 N -2.93 3.64 0.82 3.10 2.99 -1.26 -4.52 117.98 119.83 1x96 s PHE 161 Ca 0.00 1.16 -0.09 0.00 0.00 0.00 0.00 56.93 58.00 1x96 s PHE 161 Cb 0.00 -2.63 0.14 0.00 0.00 0.00 0.00 43.02 40.53 1x96 s PHE 161 CO 0.00 0.29 1.15 0.54 -0.00 0.00 0.00 175.22 177.20 1x96 s ASN 162 N 0.07 3.96 0.34 1.36 2.20 -1.26 -4.77 114.94 116.83 1x96 s ASN 162 Ca 0.31 0.19 0.14 0.00 -0.94 0.00 0.00 52.86 52.56 1x96 s ASN 162 Cb -0.18 -0.50 0.62 0.00 -2.00 0.00 0.00 41.25 39.19 1x96 s ASN 162 CO 0.16 -2.17 1.74 1.12 -2.94 0.00 0.00 177.10 175.02 1x96 h HIS 163 N -1.05 0.00 -0.03 1.54 2.07 -1.91 -0.14 115.15 115.63 1x96 h HIS 163 Ca -0.42 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 56.96 1x96 h HIS 163 Cb 1.27 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.23 1x96 h HIS 163 CO -0.43 0.45 -0.61 -0.07 -3.07 0.00 0.00 177.93 174.20 1x96 h LEU 164 N 0.00 0.11 -0.38 6.12 3.38 -1.94 -0.14 115.31 122.46 1x96 h LEU 164 Ca -0.00 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 1x96 h LEU 164 Cb 0.85 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1x96 h LEU 164 CO 0.06 0.69 -0.43 1.56 0.09 0.00 0.00 178.44 180.41 1x96 h GLN 165 N 0.07 0.92 -0.47 1.13 4.20 -1.76 0.33 115.11 119.53 1x96 h GLN 165 Ca -0.01 -0.51 -0.00 0.00 0.06 0.00 0.00 58.65 58.19 1x96 h GLN 165 Cb 1.09 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.87 1x96 h GLN 165 CO 0.08 1.16 0.27 0.28 -0.67 0.00 0.00 178.83 179.96 1x96 h VAL 166 N 0.74 1.15 -0.94 -0.54 2.07 -0.84 -2.56 116.25 115.33 1x96 h VAL 166 Ca 0.05 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.28 1x96 h VAL 166 Cb 1.02 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 1x96 h VAL 166 CO 0.10 0.16 0.60 -0.08 0.02 0.00 0.00 177.57 178.37 1x96 h GLU 167 N 0.62 1.05 -0.79 1.57 4.81 -0.90 -0.19 114.58 120.75 1x96 h GLU 167 Ca 0.17 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 1x96 h GLU 167 Cb 0.01 -0.24 -0.05 0.00 0.63 0.00 0.00 28.75 29.10 1x96 h GLU 167 CO -0.03 0.70 0.49 0.52 -0.73 0.00 0.00 179.01 179.96 1x96 h MET 168 N 1.08 0.92 -0.19 1.92 2.86 -0.54 0.35 114.93 121.34 1x96 h MET 168 Ca 0.41 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.96 1x96 h MET 168 Cb 0.18 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1x96 h MET 168 CO -0.18 0.61 -0.03 0.82 1.06 0.00 0.00 176.91 179.20 1x96 h ILE 169 N 0.95 1.27 -0.07 -1.22 2.04 -1.00 -1.68 117.51 117.80 1x96 h ILE 169 Ca 0.32 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 65.24 1x96 h ILE 169 Cb 0.05 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1x96 h ILE 169 CO -0.13 0.29 0.05 -0.07 0.00 0.00 0.00 178.15 178.29 1x96 h LEU 170 N 0.08 0.00 -1.87 1.44 3.38 -0.68 -0.75 115.31 116.91 1x96 h LEU 170 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1x96 h LEU 170 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1x96 h LEU 170 CO 0.01 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.13 1x96 n ASN 171 N -4.47 2.75 -4.70 -0.43 3.02 0.08 -4.98 115.26 106.53 1x96 n ASN 171 Ca -0.01 -1.93 -0.44 0.00 -0.03 0.00 0.00 54.58 52.16 1x96 n ASN 171 Cb 0.16 -0.28 -0.04 0.00 -0.61 0.00 0.00 39.78 39.02 1x96 n ASN 171 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1x96 n LYS 172 N 1.01 2.51 -1.72 3.52 4.81 -0.29 -4.91 118.16 123.09 1x96 n LYS 172 Ca 0.18 0.91 -0.42 0.00 -0.87 0.00 0.00 58.31 58.10 1x96 n LYS 172 Cb 0.46 -2.72 -0.03 0.00 0.02 0.00 0.00 35.03 32.76 1x96 n LYS 172 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1x96 n PRO 173 N 3.88 2.76 -1.01 1.64 -0.02 -1.26 -1.92 135.00 139.08 1x96 n PRO 173 Ca 0.17 0.99 -0.00 0.00 -2.02 0.00 0.00 63.50 62.64 1x96 n PRO 173 Cb 0.32 -2.83 -0.00 0.00 -0.02 0.00 0.00 33.50 30.97 1x96 n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x96 n GLY 174 N 3.64 0.47 3.63 -1.23 0.00 -1.26 -4.95 105.19 105.50 1x96 n GLY 174 Ca 0.15 -0.24 -0.51 0.00 0.00 0.00 0.00 46.02 45.41 1x96 n GLY 174 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x96 n LEU 175 N -0.03 2.19 -0.12 0.99 7.94 -0.81 -4.91 117.00 122.25 1x96 n LEU 175 Ca -0.00 1.09 -0.22 0.00 -1.11 0.00 0.00 56.01 55.78 1x96 n LEU 175 Cb 0.03 -1.24 -0.10 0.00 0.53 0.00 0.00 43.42 42.64 1x96 n LEU 175 CO 0.00 -0.72 -1.32 1.17 -1.11 0.00 0.00 177.39 175.41 1x96 n LYS 176 N 3.47 0.57 -4.67 1.96 4.81 -1.26 -4.95 118.16 118.09 1x96 n LYS 176 Ca 0.20 0.18 -0.27 0.00 -0.87 0.00 0.00 58.31 57.55 1x96 n LYS 176 Cb 0.21 -1.44 -0.17 0.00 0.02 0.00 0.00 35.03 33.65 1x96 n LYS 176 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1x96 s TYR 177 N -2.47 1.77 0.57 5.64 2.02 -1.26 -5.13 117.35 118.49 1x96 s TYR 177 Ca -0.34 -0.71 -0.18 0.00 -0.37 0.00 0.00 57.07 55.47 1x96 s TYR 177 Cb 0.11 -1.26 -0.05 0.00 -0.40 0.00 0.00 41.96 40.36 1x96 s TYR 177 CO 0.50 -0.35 1.12 0.15 -1.57 0.00 0.00 175.55 175.40 1x96 s LYS 178 N 0.69 3.25 0.28 -0.62 1.02 -1.26 -4.98 119.74 118.13 1x96 s LYS 178 Ca -0.13 1.53 -0.30 0.00 0.02 0.00 0.00 55.97 57.09 1x96 s LYS 178 Cb -0.16 -2.00 -0.12 0.00 -0.52 0.00 0.00 37.83 35.03 1x96 s LYS 178 CO 0.03 -0.91 1.45 -2.30 -0.92 0.00 0.00 175.35 172.70 1x96 n PRO 179 N -1.56 2.31 0.04 -1.68 -0.02 -1.26 -4.85 135.00 127.98 1x96 n PRO 179 Ca 0.11 0.82 -0.05 0.00 -2.02 0.00 0.00 63.50 62.36 1x96 n PRO 179 Cb 0.51 -2.51 -0.10 0.00 -0.02 0.00 0.00 33.50 31.38 1x96 n PRO 179 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x96 h ALA 180 N 4.04 0.57 -2.95 3.55 0.00 -1.37 -3.44 119.26 119.66 1x96 h ALA 180 Ca -0.46 -1.01 -0.16 0.00 0.00 0.00 0.00 54.91 53.28 1x96 h ALA 180 Cb 1.26 0.11 -0.23 0.00 0.00 0.00 0.00 17.79 18.93 1x96 h ALA 180 CO 0.74 1.22 -0.48 0.08 0.00 0.00 0.00 179.25 180.81 1x96 s VAL 181 N -2.74 0.05 -0.22 0.00 1.01 -1.26 -1.68 120.40 115.56 1x96 s VAL 181 Ca -0.01 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1x96 s VAL 181 Cb 0.09 -0.38 0.03 0.00 0.00 0.00 0.00 36.38 36.13 1x96 s VAL 181 CO 0.81 -0.22 -0.14 0.21 0.00 0.00 0.00 175.10 175.76 1x96 s ASN 182 N -0.78 3.84 -0.30 3.32 3.04 -0.36 -1.04 114.94 122.66 1x96 s ASN 182 Ca -0.09 -0.95 -0.14 0.00 0.04 0.00 0.00 52.86 51.72 1x96 s ASN 182 Cb -0.05 -1.54 -0.03 0.00 -1.54 0.00 0.00 41.25 38.09 1x96 s ASN 182 CO 0.01 -0.09 0.33 -1.58 -3.04 0.00 0.00 177.10 172.73 1x96 s GLN 183 N 1.23 3.81 0.10 0.43 0.74 -0.47 -2.02 119.66 123.50 1x96 s GLN 183 Ca -0.01 -0.22 0.02 0.00 0.05 0.00 0.00 55.36 55.20 1x96 s GLN 183 Cb -0.16 -3.72 -0.04 0.00 1.10 0.00 0.00 33.01 30.19 1x96 s GLN 183 CO -0.08 -0.36 -0.07 0.96 -0.55 0.00 0.00 175.29 175.19 1x96 s ILE 184 N 1.98 0.74 0.24 -2.34 -4.36 0.04 -1.21 121.20 116.30 1x96 s ILE 184 Ca 0.12 -1.90 -0.30 0.00 -0.26 0.00 0.00 60.65 58.31 1x96 s ILE 184 Cb -0.16 -1.64 -0.09 0.00 1.25 0.00 0.00 42.46 41.81 1x96 s ILE 184 CO 0.11 -0.83 1.34 -0.70 0.24 0.00 0.00 174.94 175.10 1x96 s GLU 185 N -3.69 4.36 -0.28 0.37 2.12 -1.26 -0.46 118.70 119.85 1x96 s GLU 185 Ca 0.11 2.14 -0.15 0.00 0.36 0.00 0.00 54.97 57.43 1x96 s GLU 185 Cb 0.04 -3.15 0.09 0.00 0.26 0.00 0.00 34.13 31.37 1x96 s GLU 185 CO -0.04 -0.27 0.69 0.00 -0.54 0.00 0.00 175.26 175.10 1x96 s HIS 187 N 1.83 0.00 0.05 0.00 -3.43 -0.88 -4.21 115.29 108.65 1x96 s HIS 187 Ca -0.09 -0.37 0.28 0.00 -0.80 0.00 0.00 55.06 54.08 1x96 s HIS 187 Cb -0.06 0.68 1.53 0.00 -1.43 0.00 0.00 32.58 33.30 1x96 s HIS 187 CO -0.20 -0.88 1.86 -1.35 -2.00 0.00 0.00 174.74 172.18 1x96 h PRO 188 N 2.00 0.00 -0.02 -0.38 0.11 -1.87 -0.65 132.00 131.19 1x96 h PRO 188 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1x96 h PRO 188 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1x96 h PRO 188 CO 0.32 0.00 -0.23 0.66 -0.21 0.00 0.00 178.00 178.55 1x96 n TYR 189 N -2.49 0.00 -3.15 0.65 4.01 -1.26 -1.44 117.16 113.48 1x96 n TYR 189 Ca -0.02 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.54 1x96 n TYR 189 Cb 0.05 -0.03 -0.06 0.00 -0.31 0.00 0.00 39.34 38.99 1x96 n TYR 189 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1x96 n LEU 190 N 0.20 -1.57 0.12 7.72 7.94 -0.27 -1.18 117.00 129.97 1x96 n LEU 190 Ca 0.13 -3.85 0.12 0.00 -1.11 0.00 0.00 56.01 51.30 1x96 n LEU 190 Cb 0.45 0.63 0.25 0.00 0.53 0.00 0.00 43.42 45.29 1x96 n LEU 190 CO 0.22 1.90 0.64 0.71 -1.11 0.00 0.00 177.39 179.75 1x96 h THR 191 N 4.62 0.00 -3.41 1.96 1.35 -1.76 -2.35 112.91 113.33 1x96 h THR 191 Ca 0.18 -0.64 -0.39 0.00 -0.55 0.00 0.00 66.41 65.01 1x96 h THR 191 Cb 0.98 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 1x96 h THR 191 CO 0.25 0.00 -0.52 0.00 -0.25 0.00 0.00 175.52 174.99 1x96 n GLN 192 N -2.44 -2.33 -0.34 4.72 1.13 -1.26 -4.85 117.38 112.02 1x96 n GLN 192 Ca 0.04 0.93 0.01 0.00 -1.94 0.00 0.00 57.00 56.05 1x96 n GLN 192 Cb 0.47 -5.63 0.15 0.00 0.11 0.00 0.00 30.24 25.34 1x96 n GLN 192 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1x96 h GLU 193 N -0.25 1.04 -0.13 -1.09 3.07 -1.99 -1.07 114.58 114.16 1x96 h GLU 193 Ca -0.48 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 58.28 1x96 h GLU 193 Cb 1.35 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 29.02 1x96 h GLU 193 CO 0.55 0.69 -0.07 0.87 -1.40 0.00 0.00 179.01 179.65 1x96 h LYS 194 N 1.07 0.27 -0.32 2.33 1.79 -1.99 -1.62 116.57 118.10 1x96 h LYS 194 Ca 0.40 -0.12 -0.13 0.00 -2.18 0.00 0.00 60.65 58.62 1x96 h LYS 194 Cb 0.16 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 1x96 h LYS 194 CO -0.17 0.62 -0.32 1.25 -1.08 0.00 0.00 179.45 179.76 1x96 h LEU 195 N -0.08 0.71 -0.40 2.94 6.46 -1.90 -1.44 115.31 121.60 1x96 h LEU 195 Ca 0.03 -0.28 -0.03 0.00 -0.12 0.00 0.00 57.88 57.48 1x96 h LEU 195 Cb 0.55 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 1x96 h LEU 195 CO 0.02 0.97 0.14 0.40 -0.62 0.00 0.00 178.44 179.36 1x96 h ILE 196 N 0.58 1.20 -0.60 4.05 2.04 -1.18 -1.18 117.51 122.41 1x96 h ILE 196 Ca 0.07 -0.65 -0.08 0.00 1.00 0.00 0.00 64.86 65.20 1x96 h ILE 196 Cb 0.83 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1x96 h ILE 196 CO 0.07 0.23 0.06 -0.61 0.00 0.00 0.00 178.15 177.90 1x96 h GLN 197 N 0.49 1.00 0.38 2.37 5.75 -1.13 0.39 115.11 124.36 1x96 h GLN 197 Ca 0.13 -0.27 -0.01 0.00 -0.15 0.00 0.00 58.65 58.35 1x96 h GLN 197 Cb 0.22 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 1x96 h GLN 197 CO -0.01 0.95 -0.26 -0.92 -2.65 0.00 0.00 178.83 175.94 1x96 h TYR 198 N 0.93 -0.69 -0.36 3.99 5.03 -0.99 -0.26 116.97 124.63 1x96 h TYR 198 Ca 0.18 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.49 1x96 h TYR 198 Cb 0.46 0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.97 1x96 h TYR 198 CO 0.03 -0.40 0.23 0.00 -1.32 0.00 0.00 178.16 176.71 1x96 h GLN 200 N 0.48 0.75 0.00 0.00 4.20 -0.86 -0.75 115.11 118.94 1x96 h GLN 200 Ca 0.13 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1x96 h GLN 200 Cb -0.04 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 1x96 h GLN 200 CO -0.03 0.66 -0.03 0.66 -0.67 0.00 0.00 178.83 179.42 1x96 h SER 201 N 0.74 0.00 -0.40 1.46 4.64 -0.37 -1.43 113.55 118.18 1x96 h SER 201 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1x96 h SER 201 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1x96 h SER 201 CO -0.01 0.03 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 1x96 n LYS 202 N -3.40 2.47 -1.19 4.77 4.76 -0.49 -4.95 118.16 120.13 1x96 n LYS 202 Ca -0.02 -2.23 -0.07 0.00 -2.87 0.00 0.00 58.31 53.12 1x96 n LYS 202 Cb 0.14 -1.51 -0.03 0.00 -1.84 0.00 0.00 35.03 31.79 1x96 n LYS 202 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x96 n GLY 203 N 1.50 0.89 3.65 0.72 0.00 -0.54 -5.02 105.19 106.38 1x96 n GLY 203 Ca 0.20 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 1x96 n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x96 s ILE 204 N -2.23 5.07 0.16 -0.61 1.01 -0.41 -4.42 121.20 119.78 1x96 s ILE 204 Ca 0.00 1.02 -0.30 0.00 0.00 0.00 0.00 60.65 61.37 1x96 s ILE 204 Cb 0.00 -3.88 -0.07 0.00 0.01 0.00 0.00 42.46 38.52 1x96 s ILE 204 CO 0.00 0.13 0.99 -0.69 0.00 0.00 0.00 174.94 175.37 1x96 s VAL 205 N 1.88 4.23 -0.19 2.92 1.01 -0.68 -3.53 120.40 126.04 1x96 s VAL 205 Ca 0.25 1.96 -0.10 0.00 0.00 0.00 0.00 61.98 64.09 1x96 s VAL 205 Cb -0.16 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 1x96 s VAL 205 CO 0.10 0.35 0.15 -0.69 0.00 0.00 0.00 175.10 175.01 1x96 s VAL 206 N -0.37 5.40 -0.17 2.92 1.01 -1.26 -1.22 120.40 126.72 1x96 s VAL 206 Ca 0.46 0.23 -0.07 0.00 0.00 0.00 0.00 61.98 62.61 1x96 s VAL 206 Cb -0.26 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1x96 s VAL 206 CO 0.32 0.44 0.05 -0.89 0.00 0.00 0.00 175.10 175.02 1x96 s THR 207 N 0.34 4.73 -0.30 3.92 2.01 -0.85 -1.50 115.64 123.99 1x96 s THR 207 Ca 0.09 -0.06 -0.18 0.00 0.31 0.00 0.00 61.69 61.85 1x96 s THR 207 Cb -0.11 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.27 1x96 s THR 207 CO -0.01 0.49 0.52 0.00 -0.69 0.00 0.00 174.62 174.92 1x96 s ALA 208 N 0.16 3.53 0.41 7.40 0.00 0.13 -0.78 121.76 132.61 1x96 s ALA 208 Ca 0.04 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.29 1x96 s ALA 208 Cb -0.12 -2.95 -0.00 0.00 0.00 0.00 0.00 23.12 20.04 1x96 s ALA 208 CO 0.01 -0.97 0.48 1.52 0.00 0.00 0.00 175.76 176.79 1x96 s TYR 209 N 2.37 2.81 -1.43 0.00 -0.85 0.39 -2.81 117.35 117.82 1x96 s TYR 209 Ca 0.20 -0.41 -0.04 0.00 -0.52 0.00 0.00 57.07 56.30 1x96 s TYR 209 Cb -0.15 -2.24 0.00 0.00 0.38 0.00 0.00 41.96 39.95 1x96 s TYR 209 CO 0.11 -0.24 0.30 0.43 -1.52 0.00 0.00 175.55 174.63 1x96 n SER 210 N -1.69 -0.40 0.23 -0.18 7.64 -1.26 -1.86 113.62 116.09 1x96 n SER 210 Ca 0.05 -1.13 0.15 0.00 1.01 0.00 0.00 58.87 58.95 1x96 n SER 210 Cb 0.60 -2.43 0.60 0.00 -1.01 0.00 0.00 64.21 61.97 1x96 n SER 210 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1x96 h PRO 211 N -1.88 0.00 -0.46 1.43 0.13 -1.80 -1.00 132.00 128.42 1x96 h PRO 211 Ca -0.65 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1x96 h PRO 211 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1x96 h PRO 211 CO 0.64 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.69 1x96 n LEU 212 N -2.80 3.43 -0.16 1.56 4.77 -1.26 -4.81 117.00 117.73 1x96 n LEU 212 Ca 0.01 -1.54 -0.02 0.00 -0.03 0.00 0.00 56.01 54.43 1x96 n LEU 212 Cb 0.29 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1x96 n LEU 212 CO 0.25 0.77 -0.02 0.61 -1.33 0.00 0.00 177.39 177.67 1x96 n GLY 213 N 1.52 0.56 3.93 -0.72 0.00 -0.38 -4.43 105.19 105.67 1x96 n GLY 213 Ca 0.20 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 1x96 n GLY 213 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x96 n SER 214 N 1.13 -3.85 0.24 1.61 2.88 -1.26 -4.83 113.62 109.55 1x96 n SER 214 Ca -0.02 -1.16 0.14 0.00 -1.33 0.00 0.00 58.87 56.50 1x96 n SER 214 Cb 0.09 -2.46 0.76 0.00 -0.75 0.00 0.00 64.21 61.85 1x96 n SER 214 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1x96 h PRO 215 N -2.22 0.00 -0.51 -1.46 0.13 -1.98 -0.53 132.00 125.43 1x96 h PRO 215 Ca -0.68 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1x96 h PRO 215 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1x96 h PRO 215 CO 0.53 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.90 1x96 n ASP 216 N -2.55 3.20 -4.66 1.44 5.75 -1.26 -4.95 116.55 113.53 1x96 n ASP 216 Ca -0.02 -1.97 -0.44 0.00 -0.01 0.00 0.00 54.79 52.35 1x96 n ASP 216 Cb 0.15 -0.34 -0.01 0.00 -1.03 0.00 0.00 41.12 39.89 1x96 n ASP 216 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1x96 n ARG 217 N 1.27 1.84 0.30 0.11 1.85 -0.21 -4.85 116.66 116.98 1x96 n ARG 217 Ca 0.20 0.65 0.19 0.00 -1.00 0.00 0.00 57.85 57.89 1x96 n ARG 217 Cb 0.53 -2.18 0.93 0.00 -1.05 0.00 0.00 32.46 30.69 1x96 n ARG 217 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 1x96 h PRO 218 N 2.75 0.00 -0.50 2.89 0.13 -1.94 -2.90 132.00 132.43 1x96 h PRO 218 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1x96 h PRO 218 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1x96 h PRO 218 CO 0.65 0.02 0.00 -2.67 -0.23 0.00 0.00 178.00 175.77 1x96 n TRP 219 N -3.20 1.32 -1.59 1.56 2.14 -1.26 -5.01 117.44 111.39 1x96 n TRP 219 Ca -0.01 -0.69 -0.38 0.00 2.07 0.00 0.00 57.50 58.49 1x96 n TRP 219 Cb 0.19 -0.28 0.05 0.00 -0.81 0.00 0.00 31.31 30.46 1x96 n TRP 219 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1x96 n ALA 220 N 0.53 -0.03 -3.65 -1.67 0.00 -1.10 -5.02 120.51 109.57 1x96 n ALA 220 Ca 0.23 -0.01 -0.20 0.00 0.00 0.00 0.00 53.44 53.46 1x96 n ALA 220 Cb 0.89 -2.07 -0.16 0.00 0.00 0.00 0.00 19.45 18.10 1x96 n ALA 220 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1x96 s LYS 221 N -2.70 0.74 0.50 0.00 1.02 -1.26 -5.05 119.74 112.99 1x96 s LYS 221 Ca 0.76 -0.06 0.42 0.00 0.02 0.00 0.00 55.97 57.10 1x96 s LYS 221 Cb -0.41 -0.81 1.60 0.00 -0.52 0.00 0.00 37.83 37.68 1x96 s LYS 221 CO 0.47 -0.11 1.54 -2.30 -0.92 0.00 0.00 175.35 174.03 1x96 n PRO 222 N 4.19 -0.02 0.00 -1.68 -0.02 -1.26 0.91 135.00 137.12 1x96 n PRO 222 Ca -0.23 1.15 0.16 0.00 -2.02 0.00 0.00 63.50 62.55 1x96 n PRO 222 Cb 0.51 -2.46 0.87 0.00 -0.02 0.00 0.00 33.50 32.40 1x96 n PRO 222 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1x96 n GLU 223 N -4.26 0.95 -2.18 -0.52 0.00 -1.26 -4.90 120.64 108.47 1x96 n GLU 223 Ca 0.42 -0.09 -0.32 0.00 0.00 0.00 0.00 57.16 57.17 1x96 n GLU 223 Cb 1.79 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 31.72 1x96 n GLU 223 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1x96 s ASP 224 N -2.11 6.39 0.85 -1.84 1.01 0.26 -5.02 116.67 116.21 1x96 s ASP 224 Ca 0.43 1.55 -0.10 0.00 0.71 0.00 0.00 52.55 55.14 1x96 s ASP 224 Cb 0.22 -2.50 0.11 0.00 1.01 0.00 0.00 42.92 41.75 1x96 s ASP 224 CO 0.39 -0.75 1.12 -2.16 0.21 0.00 0.00 175.17 173.97 1x96 s PRO 225 N -4.43 1.55 -0.25 8.23 0.04 -1.26 -5.01 135.00 133.86 1x96 s PRO 225 Ca 0.58 1.32 -0.03 0.00 0.04 0.00 0.00 61.00 62.91 1x96 s PRO 225 Cb -0.11 -1.81 0.08 0.00 0.04 0.00 0.00 34.50 32.71 1x96 s PRO 225 CO 0.39 -2.19 0.09 0.45 0.04 0.00 0.00 177.00 175.78 1x96 s SER 226 N -3.04 3.27 0.20 6.66 0.15 -1.26 -5.01 113.70 114.66 1x96 s SER 226 Ca 0.64 -1.12 -0.11 0.00 0.70 0.00 0.00 55.95 56.06 1x96 s SER 226 Cb -0.20 -0.53 0.21 0.00 -1.71 0.00 0.00 66.02 63.80 1x96 s SER 226 CO 0.57 -0.38 1.76 -0.07 1.20 0.00 0.00 173.24 176.32 1x96 h LEU 227 N 8.28 0.28 -1.54 3.45 3.38 -1.93 -1.72 115.31 125.51 1x96 h LEU 227 Ca -0.16 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1x96 h LEU 227 Cb 1.07 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1x96 h LEU 227 CO 0.39 0.18 0.00 -0.07 0.09 0.00 0.00 178.44 179.03 1x96 h LEU 228 N 0.44 0.00 -2.06 1.67 3.38 -1.96 -2.40 115.31 114.39 1x96 h LEU 228 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1x96 h LEU 228 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1x96 h LEU 228 CO -0.24 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.67 1x96 n GLU 229 N -2.97 1.82 -2.08 1.13 1.02 -0.77 -4.87 120.64 113.91 1x96 n GLU 229 Ca 0.00 -1.77 -0.43 0.00 -0.02 0.00 0.00 57.16 54.94 1x96 n GLU 229 Cb 0.27 -1.34 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 1x96 n GLU 229 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1x96 s ASP 230 N -1.24 6.52 0.60 1.62 -1.08 -0.72 -4.87 116.67 117.49 1x96 s ASP 230 Ca 0.24 1.89 0.35 0.00 -0.52 0.00 0.00 52.55 54.51 1x96 s ASP 230 Cb 0.15 -2.53 1.89 0.00 -1.46 0.00 0.00 42.92 40.97 1x96 s ASP 230 CO 0.22 -1.10 2.22 1.55 0.52 0.00 0.00 175.17 178.57 1x96 h PRO 231 N 10.16 0.00 -0.21 4.34 0.13 -1.91 -0.96 132.00 143.54 1x96 h PRO 231 Ca -0.36 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.62 1x96 h PRO 231 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1x96 h PRO 231 CO 0.98 0.03 -0.50 0.00 -0.23 0.00 0.00 178.00 178.29 1x96 h ARG 232 N 0.00 0.57 0.15 0.86 3.08 -1.96 -0.88 114.38 116.20 1x96 h ARG 232 Ca -0.00 -0.33 -0.30 0.00 0.07 0.00 0.00 59.98 59.42 1x96 h ARG 232 Cb 0.15 0.03 0.03 0.00 0.08 0.00 0.00 29.97 30.25 1x96 h ARG 232 CO 0.00 0.94 -1.29 0.82 -1.07 0.00 0.00 179.97 179.37 1x96 h ILE 233 N 0.45 1.33 -0.74 2.04 2.04 -1.66 -2.83 117.51 118.13 1x96 h ILE 233 Ca 0.02 -2.63 0.09 0.00 1.00 0.00 0.00 64.86 63.34 1x96 h ILE 233 Cb 1.03 2.81 -0.05 0.00 -0.74 0.00 0.00 36.82 39.87 1x96 h ILE 233 CO 0.10 0.79 0.49 0.11 0.00 0.00 0.00 178.15 179.63 1x96 h LYS 234 N 0.21 0.66 -0.48 2.37 1.57 -1.17 -1.25 116.57 118.48 1x96 h LYS 234 Ca -0.19 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.43 1x96 h LYS 234 Cb 1.97 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 34.12 1x96 h LYS 234 CO 0.24 0.44 -0.17 0.00 -0.57 0.00 0.00 179.45 179.39 1x96 h ALA 235 N 1.62 0.79 -0.58 3.86 0.00 -1.02 0.11 119.26 124.05 1x96 h ALA 235 Ca 0.34 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1x96 h ALA 235 Cb 0.41 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1x96 h ALA 235 CO -0.12 0.66 0.19 0.82 0.00 0.00 0.00 179.25 180.80 1x96 h ILE 236 N 0.82 1.24 -0.57 0.00 2.04 -1.14 -1.10 117.51 118.81 1x96 h ILE 236 Ca 0.12 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.23 1x96 h ILE 236 Cb 0.72 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1x96 h ILE 236 CO 0.06 0.30 0.32 0.00 0.00 0.00 0.00 178.15 178.82 1x96 h ALA 237 N 1.05 0.74 -0.67 1.87 0.00 -1.02 -2.30 119.26 118.93 1x96 h ALA 237 Ca 0.19 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1x96 h ALA 237 Cb 0.27 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1x96 h ALA 237 CO -0.01 0.00 0.35 0.00 0.00 0.00 0.00 179.25 179.59 1x96 h ALA 238 N 1.28 0.86 -0.87 0.00 0.00 -0.63 0.14 119.26 120.03 1x96 h ALA 238 Ca 0.24 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.16 1x96 h ALA 238 Cb 0.10 -0.27 -0.09 0.00 0.00 0.00 0.00 17.79 17.54 1x96 h ALA 238 CO -0.14 0.39 0.49 0.87 0.00 0.00 0.00 179.25 180.86 1x96 h LYS 239 N 0.92 0.72 -0.22 0.00 1.57 -0.86 -1.63 116.57 117.08 1x96 h LYS 239 Ca 0.23 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1x96 h LYS 239 Cb 0.07 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1x96 h LYS 239 CO -0.03 0.48 0.00 0.72 -0.57 0.00 0.00 179.45 180.04 1x96 n HIS 240 N -4.78 0.28 -1.98 -1.35 8.25 -0.78 -4.94 115.22 109.92 1x96 n HIS 240 Ca 0.17 -0.14 -0.18 0.00 -0.26 0.00 0.00 57.72 57.31 1x96 n HIS 240 Cb 0.38 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.45 1x96 n HIS 240 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1x96 n ASN 241 N 0.70 -5.19 -4.73 0.41 5.15 -0.11 -5.00 115.26 106.48 1x96 n ASN 241 Ca 0.17 0.19 -0.25 0.00 -0.60 0.00 0.00 54.58 54.08 1x96 n ASN 241 Cb 0.42 -4.26 -0.08 0.00 -0.53 0.00 0.00 39.78 35.33 1x96 n ASN 241 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1x96 s LYS 242 N -4.28 2.19 0.68 1.20 -0.14 -0.33 -5.01 119.74 114.05 1x96 s LYS 242 Ca 0.00 -1.91 -0.10 0.00 -1.36 0.00 0.00 55.97 52.60 1x96 s LYS 242 Cb 0.00 -1.92 0.02 0.00 -1.68 0.00 0.00 37.83 34.24 1x96 s LYS 242 CO 0.00 -0.14 1.05 0.95 -0.76 0.00 0.00 175.35 176.46 1x96 s THR 243 N -2.63 3.42 0.24 2.17 -4.23 -1.26 -4.24 115.64 109.11 1x96 s THR 243 Ca 0.39 0.33 -0.07 0.00 -1.18 0.00 0.00 61.69 61.15 1x96 s THR 243 Cb 0.04 -3.43 0.23 0.00 1.34 0.00 0.00 72.50 70.67 1x96 s THR 243 CO 0.21 -0.54 1.90 0.74 -0.54 0.00 0.00 174.62 176.39 1x96 h THR 244 N -0.56 1.20 -0.71 3.99 2.02 -1.92 -1.96 112.91 114.97 1x96 h THR 244 Ca -0.45 -0.41 -0.06 0.00 0.77 0.00 0.00 66.41 66.25 1x96 h THR 244 Cb 1.26 -0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1x96 h THR 244 CO 0.63 0.22 0.20 0.00 0.37 0.00 0.00 175.52 176.94 1x96 h ALA 245 N 1.35 1.02 -0.63 6.16 0.00 -1.93 -0.86 119.26 124.37 1x96 h ALA 245 Ca 0.35 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1x96 h ALA 245 Cb -0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 1x96 h ALA 245 CO -0.09 0.65 0.31 1.96 0.00 0.00 0.00 179.25 182.08 1x96 h GLN 246 N 1.06 0.89 -0.52 0.00 4.20 -1.73 -0.34 115.11 118.66 1x96 h GLN 246 Ca 0.23 -0.11 -0.11 0.00 0.06 0.00 0.00 58.65 58.72 1x96 h GLN 246 Cb 0.33 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1x96 h GLN 246 CO -0.00 0.68 -0.10 0.28 -0.67 0.00 0.00 178.83 179.01 1x96 h VAL 247 N 0.89 1.27 0.00 -0.54 2.07 -0.69 0.00 116.25 119.25 1x96 h VAL 247 Ca 0.22 -1.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 1x96 h VAL 247 Cb 0.08 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1x96 h VAL 247 CO -0.03 0.44 -0.24 -0.07 0.02 0.00 0.00 177.57 177.69 1x96 h LEU 248 N 0.87 0.00 0.20 2.57 3.38 -0.37 -1.64 115.31 120.32 1x96 h LEU 248 Ca 0.14 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.77 1x96 h LEU 248 Cb 0.65 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.42 1x96 h LEU 248 CO 0.05 0.24 -1.65 0.40 0.09 0.00 0.00 178.44 177.57 1x96 h ILE 249 N 0.00 1.05 -0.21 1.22 2.04 -0.90 -3.35 117.51 117.36 1x96 h ILE 249 Ca -0.00 -2.56 -0.06 0.00 1.00 0.00 0.00 64.86 63.24 1x96 h ILE 249 Cb 0.60 2.85 -0.01 0.00 -0.74 0.00 0.00 36.82 39.52 1x96 h ILE 249 CO 0.03 0.84 -0.14 -0.09 0.00 0.00 0.00 178.15 178.79 1x96 h ARG 250 N 0.09 0.34 0.44 2.37 9.65 -0.82 -3.20 114.38 123.26 1x96 h ARG 250 Ca -0.32 -0.09 -0.01 0.00 -1.10 0.00 0.00 59.98 58.47 1x96 h ARG 250 Cb 2.10 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 30.61 1x96 h ARG 250 CO 0.20 0.48 -0.48 0.35 2.80 0.00 0.00 179.97 183.33 1x96 h PHE 251 N 0.32 -1.32 -0.10 2.20 3.57 -1.43 -1.87 116.94 118.32 1x96 h PHE 251 Ca 0.06 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 1x96 h PHE 251 Cb 0.44 0.52 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1x96 h PHE 251 CO 0.01 -0.63 -0.16 -1.00 -2.23 0.00 0.00 178.31 174.30 1x96 h PRO 252 N -0.93 0.16 -0.85 6.41 0.13 -1.74 -2.43 132.00 132.75 1x96 h PRO 252 Ca -0.05 -0.04 0.10 0.00 -0.87 0.00 0.00 66.00 65.14 1x96 h PRO 252 Cb 0.83 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.88 1x96 h PRO 252 CO -0.08 0.32 0.55 0.52 -0.23 0.00 0.00 178.00 179.08 1x96 h MET 253 N 0.15 0.79 -0.00 0.86 2.86 -1.35 -0.68 114.93 117.56 1x96 h MET 253 Ca 0.03 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1x96 h MET 253 Cb 0.38 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1x96 h MET 253 CO 0.02 0.52 -0.04 1.04 1.06 0.00 0.00 176.91 179.52 1x96 n GLN 254 N -4.52 0.94 -0.48 1.72 6.02 -0.91 -2.26 117.38 117.89 1x96 n GLN 254 Ca 0.14 -0.25 0.10 0.00 -0.01 0.00 0.00 57.00 56.98 1x96 n GLN 254 Cb 0.32 -1.49 0.33 0.00 1.02 0.00 0.00 30.24 30.41 1x96 n GLN 254 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1x96 n ARG 255 N -0.81 3.16 -3.22 -1.09 1.74 -0.34 -4.93 116.66 111.17 1x96 n ARG 255 Ca 0.19 -2.62 -0.23 0.00 -0.77 0.00 0.00 57.85 54.41 1x96 n ARG 255 Cb 0.23 -1.72 0.05 0.00 -1.02 0.00 0.00 32.46 29.99 1x96 n ARG 255 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1x96 n ASN 256 N 1.28 -6.08 -4.92 0.55 5.15 -0.96 -5.02 115.26 105.27 1x96 n ASN 256 Ca 0.24 -0.38 -0.21 0.00 -0.60 0.00 0.00 54.58 53.64 1x96 n ASN 256 Cb 0.73 -4.87 -0.03 0.00 -0.53 0.00 0.00 39.78 35.08 1x96 n ASN 256 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1x96 s LEU 257 N -6.87 4.01 0.18 1.20 1.43 -0.70 -4.69 118.68 113.23 1x96 s LEU 257 Ca 0.40 -0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 53.27 1x96 s LEU 257 Cb -0.18 -2.61 -0.06 0.00 0.03 0.00 0.00 46.19 43.37 1x96 s LEU 257 CO 0.49 -0.17 0.47 -0.69 0.23 0.00 0.00 176.35 176.68 1x96 s VAL 258 N -2.11 5.03 -0.01 -1.59 1.01 -0.56 -4.19 120.40 117.98 1x96 s VAL 258 Ca 0.37 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.66 1x96 s VAL 258 Cb -0.08 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 1x96 s VAL 258 CO 0.28 0.03 0.05 0.54 0.00 0.00 0.00 175.10 176.00 1x96 s VAL 259 N -1.69 0.04 -0.45 2.92 0.11 0.49 0.17 120.40 121.99 1x96 s VAL 259 Ca 0.43 -0.33 0.09 0.00 -2.93 0.00 0.00 61.98 59.23 1x96 s VAL 259 Cb -0.12 -0.19 0.30 0.00 -1.53 0.00 0.00 36.38 34.85 1x96 s VAL 259 CO 0.22 -0.18 0.71 2.30 -3.33 0.00 0.00 175.10 174.81 1x96 n ILE 260 N 2.45 0.64 -1.84 7.04 -5.35 -1.12 -0.95 119.36 120.22 1x96 n ILE 260 Ca -0.17 -4.69 -0.41 0.00 -0.27 0.00 0.00 62.75 57.22 1x96 n ILE 260 Cb 0.58 -1.25 0.00 0.00 -1.74 0.00 0.00 39.64 37.23 1x96 n ILE 260 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1x96 s PRO 261 N -2.25 4.00 -0.15 6.28 0.04 -1.21 -3.29 135.00 138.41 1x96 s PRO 261 Ca 0.40 2.48 -0.08 0.00 0.04 0.00 0.00 61.00 63.83 1x96 s PRO 261 Cb 0.25 -2.87 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 1x96 s PRO 261 CO -0.09 -0.59 0.14 0.21 0.04 0.00 0.00 177.00 176.71 1x96 s LYS 262 N -2.18 3.72 -0.05 4.56 2.36 -1.26 -1.33 119.74 125.56 1x96 s LYS 262 Ca 0.55 -0.16 -0.20 0.00 -2.55 0.00 0.00 55.97 53.61 1x96 s LYS 262 Cb -0.45 -3.28 0.04 0.00 -1.05 0.00 0.00 37.83 33.10 1x96 s LYS 262 CO 0.60 0.60 0.44 0.45 1.55 0.00 0.00 175.35 178.98 1x96 s SER 263 N -0.51 -0.36 0.00 1.43 0.15 -1.26 -4.94 113.70 108.21 1x96 s SER 263 Ca 0.12 0.38 0.11 0.00 0.70 0.00 0.00 55.95 57.26 1x96 s SER 263 Cb -0.12 0.46 0.27 0.00 -1.71 0.00 0.00 66.02 64.92 1x96 s SER 263 CO 0.02 -0.46 1.19 1.33 1.20 0.00 0.00 173.24 176.52 1x96 n VAL 264 N 1.37 0.83 -3.35 4.45 0.24 -1.26 -4.89 118.33 115.72 1x96 n VAL 264 Ca -0.20 -0.91 -0.41 0.00 -2.04 0.00 0.00 64.34 60.78 1x96 n VAL 264 Cb 0.56 0.63 -0.09 0.00 -1.47 0.00 0.00 33.84 33.47 1x96 n VAL 264 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1x96 s THR 265 N -0.99 5.12 0.25 3.34 2.01 -1.26 -4.77 115.64 119.35 1x96 s THR 265 Ca 0.21 0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.24 1x96 s THR 265 Cb 0.12 -3.89 0.24 0.00 0.01 0.00 0.00 72.50 68.98 1x96 s THR 265 CO 0.15 -0.17 1.70 -0.65 -0.69 0.00 0.00 174.62 174.96 1x96 h PRO 266 N 8.50 0.33 -0.61 4.92 0.11 -1.96 0.31 132.00 143.61 1x96 h PRO 266 Ca -0.29 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.75 1x96 h PRO 266 Cb 1.13 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1x96 h PRO 266 CO 0.73 0.22 0.18 1.49 -0.21 0.00 0.00 178.00 180.41 1x96 h GLU 267 N 0.34 0.92 -0.04 1.05 4.22 -2.00 -1.91 114.58 117.16 1x96 h GLU 267 Ca 0.44 -0.18 -0.22 0.00 0.08 0.00 0.00 59.36 59.48 1x96 h GLU 267 Cb 0.74 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1x96 h GLU 267 CO -0.48 0.80 -0.87 0.00 -2.18 0.00 0.00 179.01 176.27 1x96 h ARG 268 N 0.89 0.48 -0.42 1.92 3.08 -1.70 -0.74 114.38 117.89 1x96 h ARG 268 Ca 0.20 -0.47 0.07 0.00 0.07 0.00 0.00 59.98 59.85 1x96 h ARG 268 Cb 0.27 0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.38 1x96 h ARG 268 CO -0.01 1.11 0.06 0.82 -1.07 0.00 0.00 179.97 180.88 1x96 h ILE 269 N 0.30 0.75 -0.35 2.04 2.04 -0.70 0.11 117.51 121.69 1x96 h ILE 269 Ca -0.07 -0.06 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 1x96 h ILE 269 Cb 1.49 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1x96 h ILE 269 CO 0.16 0.03 -0.03 0.00 0.00 0.00 0.00 178.15 178.31 1x96 h ALA 270 N 1.33 0.48 -0.81 1.87 0.00 -1.33 -3.11 119.26 117.69 1x96 h ALA 270 Ca 0.20 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1x96 h ALA 270 Cb 0.27 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1x96 h ALA 270 CO -0.29 0.27 0.51 1.05 0.00 0.00 0.00 179.25 180.79 1x96 h GLU 271 N 0.44 0.95 0.00 0.00 4.11 -0.76 -2.52 114.58 116.80 1x96 h GLU 271 Ca 0.10 -0.06 -0.02 0.00 0.07 0.00 0.00 59.36 59.45 1x96 h GLU 271 Cb 0.51 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1x96 h GLU 271 CO 0.02 0.63 -0.10 -0.91 0.07 0.00 0.00 179.01 178.72 1x96 h ASN 272 N 0.98 0.00 1.04 3.06 2.35 -0.76 -1.58 115.58 120.66 1x96 h ASN 272 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 1x96 h ASN 272 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1x96 h ASN 272 CO -0.13 0.10 -0.40 0.33 -1.65 0.00 0.00 177.43 175.68 1x96 n PHE 273 N -3.35 0.61 -2.07 1.19 7.35 -0.95 -4.47 117.46 115.78 1x96 n PHE 273 Ca -0.01 0.18 -0.41 0.00 -0.76 0.00 0.00 57.45 56.45 1x96 n PHE 273 Cb 0.29 -0.71 -0.00 0.00 0.35 0.00 0.00 39.48 39.41 1x96 n PHE 273 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1x96 n LYS 274 N -2.09 4.03 0.00 -4.13 5.02 -0.60 -4.28 118.16 116.11 1x96 n LYS 274 Ca 0.04 -3.34 0.00 0.00 -2.02 0.00 0.00 58.31 52.99 1x96 n LYS 274 Cb 0.43 -2.80 0.00 0.00 -0.02 0.00 0.00 35.03 32.63 1x96 n LYS 274 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1x96 n VAL 275 N 2.72 0.60 -0.11 -0.18 0.24 -1.26 -4.68 118.33 115.66 1x96 n VAL 275 Ca 0.54 -0.61 0.12 0.00 -2.04 0.00 0.00 64.34 62.34 1x96 n VAL 275 Cb 0.30 0.71 0.28 0.00 -1.47 0.00 0.00 33.84 33.66 1x96 n VAL 275 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1x96 n PHE 276 N -0.30 0.78 -0.35 6.34 3.72 -1.26 -4.43 117.46 121.96 1x96 n PHE 276 Ca 0.00 -0.40 0.06 0.00 -0.05 0.00 0.00 57.45 57.06 1x96 n PHE 276 Cb 0.34 -0.00 0.17 0.00 -0.94 0.00 0.00 39.48 39.05 1x96 n PHE 276 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1x96 n ASP 277 N 1.55 3.12 -3.78 4.37 5.75 -1.26 -4.49 116.55 121.81 1x96 n ASP 277 Ca 0.22 -2.22 -0.10 0.00 -0.01 0.00 0.00 54.79 52.69 1x96 n ASP 277 Cb 0.61 -0.29 -0.05 0.00 -1.03 0.00 0.00 41.12 40.36 1x96 n ASP 277 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1x96 s PHE 278 N -1.39 -0.00 -0.04 2.11 -0.71 -1.26 -5.17 117.98 111.52 1x96 s PHE 278 Ca 0.27 -0.34 0.02 0.00 -1.04 0.00 0.00 56.93 55.83 1x96 s PHE 278 Cb 0.17 0.26 0.01 0.00 -1.21 0.00 0.00 43.02 42.25 1x96 s PHE 278 CO 0.14 -0.83 -0.08 -2.00 -1.34 0.00 0.00 175.22 171.11 1x96 s GLU 279 N -3.89 1.09 0.29 1.99 2.12 -1.26 -4.96 118.70 114.09 1x96 s GLU 279 Ca 0.10 -0.25 -0.28 0.00 0.36 0.00 0.00 54.97 54.90 1x96 s GLU 279 Cb 0.01 -1.00 -0.09 0.00 0.26 0.00 0.00 34.13 33.30 1x96 s GLU 279 CO -0.04 0.01 1.01 -0.51 -0.54 0.00 0.00 175.26 175.20 1x96 s LEU 280 N 0.61 4.48 0.77 2.70 1.43 -1.26 -5.06 118.68 122.35 1x96 s LEU 280 Ca -0.10 2.05 -0.11 0.00 -1.03 0.00 0.00 54.13 54.94 1x96 s LEU 280 Cb -0.13 -3.78 0.05 0.00 0.03 0.00 0.00 46.19 42.36 1x96 s LEU 280 CO 0.01 -0.09 1.09 -0.94 0.23 0.00 0.00 176.35 176.65 1x96 s SER 281 N -1.22 4.78 0.39 2.29 1.04 -1.26 -4.84 113.70 114.89 1x96 s SER 281 Ca 0.47 1.32 0.11 0.00 0.48 0.00 0.00 55.95 58.32 1x96 s SER 281 Cb -0.26 -2.09 0.90 0.00 0.10 0.00 0.00 66.02 64.67 1x96 s SER 281 CO 0.33 -1.79 1.94 -1.28 0.98 0.00 0.00 173.24 173.42 1x96 h SER 282 N -0.96 0.53 -0.36 7.02 0.87 -1.99 -0.34 113.55 118.31 1x96 h SER 282 Ca -0.46 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.09 1x96 h SER 282 Cb 1.26 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 63.11 1x96 h SER 282 CO 0.60 0.30 0.12 -0.61 -0.53 0.00 0.00 176.83 176.71 1x96 h GLN 283 N 0.58 0.56 -0.81 2.24 4.15 -1.99 -0.66 115.11 119.18 1x96 h GLN 283 Ca 0.35 -0.12 0.01 0.00 0.77 0.00 0.00 58.65 59.66 1x96 h GLN 283 Cb 0.57 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.13 1x96 h GLN 283 CO -0.12 0.57 0.53 -0.44 -1.93 0.00 0.00 178.83 177.44 1x96 h ASP 284 N 0.44 0.92 -0.18 -0.69 3.32 -1.70 -0.02 116.42 118.51 1x96 h ASP 284 Ca 0.12 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1x96 h ASP 284 Cb 0.24 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1x96 h ASP 284 CO -0.01 0.66 0.10 0.24 -1.72 0.00 0.00 179.24 178.51 1x96 h MET 285 N 1.08 0.26 -0.65 3.56 2.86 -0.67 0.22 114.93 121.59 1x96 h MET 285 Ca 0.30 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.87 1x96 h MET 285 Cb -0.11 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 1x96 h MET 285 CO -0.07 0.27 0.26 1.15 1.06 0.00 0.00 176.91 179.58 1x96 h THR 286 N 0.19 1.23 -0.20 2.22 2.02 -0.92 -0.11 112.91 117.34 1x96 h THR 286 Ca 0.06 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 1x96 h THR 286 Cb 0.09 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1x96 h THR 286 CO -0.01 0.28 0.05 0.74 0.37 0.00 0.00 175.52 176.95 1x96 h THR 287 N 0.94 1.20 -0.89 3.16 2.02 -0.77 -1.52 112.91 117.05 1x96 h THR 287 Ca 0.22 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 1x96 h THR 287 Cb 0.18 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 1x96 h THR 287 CO -0.02 0.20 0.51 -0.07 0.37 0.00 0.00 175.52 176.51 1x96 h LEU 288 N 0.13 1.08 -2.12 2.58 3.38 -0.63 -1.26 115.31 118.47 1x96 h LEU 288 Ca 0.06 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1x96 h LEU 288 Cb 0.26 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1x96 h LEU 288 CO 0.00 0.84 0.03 -0.07 0.09 0.00 0.00 178.44 179.33 1x96 h LEU 289 N 1.23 0.00 -0.52 1.67 3.38 -0.78 -2.37 115.31 117.92 1x96 h LEU 289 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1x96 h LEU 289 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1x96 h LEU 289 CO -0.06 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.93 1x96 n SER 290 N -4.35 0.55 0.00 -0.43 3.41 -0.48 -2.43 113.62 109.90 1x96 n SER 290 Ca -0.02 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.35 1x96 n SER 290 Cb 0.12 -0.75 0.78 0.00 -0.26 0.00 0.00 64.21 64.10 1x96 n SER 290 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1x96 n TYR 291 N -2.10 0.00 -1.66 7.33 4.01 -0.89 -4.91 117.16 118.94 1x96 n TYR 291 Ca 0.03 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.32 1x96 n TYR 291 Cb 0.24 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.24 1x96 n TYR 291 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1x96 n ASN 292 N -0.94 2.58 -0.16 7.72 5.15 -0.52 -4.34 115.26 124.75 1x96 n ASN 292 Ca 0.20 1.15 0.01 0.00 -0.60 0.00 0.00 54.58 55.34 1x96 n ASN 292 Cb 0.09 -1.41 0.01 0.00 -0.53 0.00 0.00 39.78 37.94 1x96 n ASN 292 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 1x96 n ARG 293 N 1.83 0.58 -4.06 1.20 1.85 -0.32 -4.97 116.66 112.77 1x96 n ARG 293 Ca 0.11 -1.01 -0.32 0.00 -1.00 0.00 0.00 57.85 55.63 1x96 n ARG 293 Cb 0.31 -0.68 -0.00 0.00 -1.05 0.00 0.00 32.46 31.04 1x96 n ARG 293 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1x96 n ASN 294 N -0.22 -3.40 -4.63 2.89 3.02 -0.53 -4.95 115.26 107.44 1x96 n ASN 294 Ca 0.02 -0.92 -0.39 0.00 -0.03 0.00 0.00 54.58 53.26 1x96 n ASN 294 Cb 0.54 -3.26 -0.08 0.00 -0.61 0.00 0.00 39.78 36.37 1x96 n ASN 294 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1x96 s TRP 295 N -3.39 3.30 -0.13 3.10 -0.00 -0.69 -4.99 118.94 116.13 1x96 s TRP 295 Ca 0.59 0.52 -0.04 0.00 -0.00 0.00 0.00 56.10 57.17 1x96 s TRP 295 Cb -0.31 -2.57 -0.03 0.00 -0.00 0.00 0.00 33.47 30.55 1x96 s TRP 295 CO 0.88 -0.15 0.00 1.03 -0.00 0.00 0.00 176.95 178.72 1x96 s ARG 296 N 1.80 3.46 0.03 5.86 0.52 -1.26 -4.37 118.95 124.99 1x96 s ARG 296 Ca 0.17 -0.43 -0.25 0.00 -0.52 0.00 0.00 55.73 54.70 1x96 s ARG 296 Cb -0.15 -2.93 -0.18 0.00 0.52 0.00 0.00 34.95 32.21 1x96 s ARG 296 CO 0.09 0.44 1.48 0.28 0.02 0.00 0.00 175.30 177.60 1x96 h VAL 297 N 4.68 1.19 -3.63 3.52 2.07 -1.98 -3.42 116.25 118.69 1x96 h VAL 297 Ca -0.40 -0.62 -0.67 0.00 0.82 0.00 0.00 66.70 65.83 1x96 h VAL 297 Cb 1.19 1.61 -0.38 0.00 -1.52 0.00 0.00 31.29 32.19 1x96 h VAL 297 CO 0.61 0.16 -0.66 0.00 0.02 0.00 0.00 177.57 177.70 1x96 n ALA 299 N 4.39 2.42 -3.90 0.00 0.00 -1.26 -5.01 120.51 117.14 1x96 n ALA 299 Ca 0.01 -0.66 -0.29 0.00 0.00 0.00 0.00 53.44 52.49 1x96 n ALA 299 Cb 0.42 -0.24 -0.00 0.00 0.00 0.00 0.00 19.45 19.62 1x96 n ALA 299 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1x96 n LEU 300 N 0.35 -2.17 0.31 0.00 7.94 -1.26 -4.82 117.00 117.34 1x96 n LEU 300 Ca 0.05 -1.05 0.20 0.00 -1.11 0.00 0.00 56.01 54.10 1x96 n LEU 300 Cb 0.21 -2.19 0.98 0.00 0.53 0.00 0.00 43.42 42.96 1x96 n LEU 300 CO 0.04 0.48 1.10 -0.07 -1.11 0.00 0.00 177.39 177.84 1x96 h LEU 301 N -1.93 0.00 0.00 -1.96 3.38 -1.99 -1.21 115.31 111.61 1x96 h LEU 301 Ca -0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1x96 h LEU 301 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1x96 h LEU 301 CO 0.58 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.57 1x96 n SER 302 N -3.09 0.00 -0.16 -0.43 3.41 -1.26 -3.62 113.62 108.47 1x96 n SER 302 Ca -0.01 -0.52 0.05 0.00 -0.26 0.00 0.00 58.87 58.13 1x96 n SER 302 Cb 0.18 -0.11 0.07 0.00 -0.26 0.00 0.00 64.21 64.09 1x96 n SER 302 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x96 n THR 304 N -0.82 1.46 0.75 0.00 -2.24 -1.24 -1.44 114.28 110.76 1x96 n THR 304 Ca 0.08 0.36 0.09 0.00 -2.27 0.00 0.00 64.05 62.31 1x96 n THR 304 Cb 0.58 -1.23 0.04 0.00 -2.10 0.00 0.00 70.33 67.61 1x96 n THR 304 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1x96 n SER 305 N -1.49 2.13 -4.76 3.42 3.41 -1.26 -4.92 113.62 110.14 1x96 n SER 305 Ca 0.02 -1.57 -0.40 0.00 -0.26 0.00 0.00 58.87 56.66 1x96 n SER 305 Cb 0.09 0.21 0.01 0.00 -0.26 0.00 0.00 64.21 64.26 1x96 n SER 305 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1x96 n HIS 306 N 0.51 2.79 0.27 7.33 -0.00 -0.52 -4.86 115.22 120.74 1x96 n HIS 306 Ca 0.09 0.44 0.12 0.00 -0.00 0.00 0.00 57.72 58.37 1x96 n HIS 306 Cb 0.41 -2.48 0.76 0.00 -0.00 0.00 0.00 29.99 28.67 1x96 n HIS 306 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1x96 h LYS 307 N 2.51 0.00 -0.50 1.57 3.64 -1.94 -1.41 116.57 120.44 1x96 h LYS 307 Ca -0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1x96 h LYS 307 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1x96 h LYS 307 CO 0.62 0.06 0.00 -0.25 -2.27 0.00 0.00 179.45 177.61 1x96 n ASP 308 N -3.99 4.26 -4.66 4.20 8.00 -1.26 -4.98 116.55 118.11 1x96 n ASP 308 Ca -0.03 -2.51 -0.51 0.00 0.71 0.00 0.00 54.79 52.46 1x96 n ASP 308 Cb 0.15 -0.51 -0.05 0.00 -0.02 0.00 0.00 41.12 40.69 1x96 n ASP 308 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x96 n TYR 309 N 0.61 2.02 0.82 1.24 9.36 -0.53 -4.43 117.16 126.24 1x96 n TYR 309 Ca 0.22 0.37 0.13 0.00 3.32 0.00 0.00 57.90 61.94 1x96 n TYR 309 Cb 0.81 -2.49 0.41 0.00 -0.63 0.00 0.00 39.34 37.44 1x96 n TYR 309 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1x96 n PRO 310 N 4.28 0.13 -0.40 2.98 -0.04 -1.26 -4.33 135.00 136.36 1x96 n PRO 310 Ca 0.21 0.08 0.08 0.00 -0.04 0.00 0.00 63.50 63.82 1x96 n PRO 310 Cb 0.23 -1.62 0.24 0.00 -0.04 0.00 0.00 33.50 32.31 1x96 n PRO 310 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1x96 n PHE 311 N -1.83 0.90 0.04 0.54 3.72 -1.26 -4.15 117.46 115.42 1x96 n PHE 311 Ca 0.06 -0.72 -0.19 0.00 -0.05 0.00 0.00 57.45 56.55 1x96 n PHE 311 Cb 0.38 -0.22 -0.13 0.00 -0.94 0.00 0.00 39.48 38.57 1x96 n PHE 311 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1x96 h HIS 312 N 2.24 0.62 -3.96 1.38 3.86 -1.98 -3.46 115.15 113.85 1x96 h HIS 312 Ca 0.00 -0.40 -0.55 0.00 -1.16 0.00 0.00 60.37 58.26 1x96 h HIS 312 Cb 1.24 -0.05 0.13 0.00 1.06 0.00 0.00 27.41 29.79 1x96 h HIS 312 CO 0.47 1.26 0.67 0.39 0.86 0.00 0.00 177.93 181.58 1x96 n GLU 313 N -4.13 2.10 -0.27 2.45 1.02 -1.26 -4.91 120.64 115.63 1x96 n GLU 313 Ca -0.12 0.75 0.09 0.00 -0.02 0.00 0.00 57.16 57.86 1x96 n GLU 313 Cb 0.78 -2.61 0.23 0.00 -0.02 0.00 0.00 31.44 29.82 1x96 n GLU 313 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1x96 h GLU 314 N 2.06 0.28 0.00 3.49 4.81 -1.92 -3.51 114.58 119.79 1x96 h GLU 314 Ca -0.51 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1x96 h GLU 314 Cb 1.28 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1x96 h GLU 314 CO 0.60 0.19 0.00 1.97 -0.73 0.00 0.00 179.01 181.04