#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ll4 n GLY 37 N 0.00 0.19 3.86 -0.02 0.00 -1.26 -4.94 105.19 103.02 1ll4 n GLY 37 Ca 0.00 -1.82 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 1ll4 n GLY 37 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ll4 s PHE 38 N 0.28 3.48 0.13 1.61 0.40 0.21 -3.82 117.98 120.27 1ll4 s PHE 38 Ca 0.00 1.26 -0.02 0.00 -0.60 0.00 0.00 56.93 57.57 1ll4 s PHE 38 Cb 0.00 -2.63 -0.05 0.00 0.51 0.00 0.00 43.02 40.85 1ll4 s PHE 38 CO 0.00 -0.30 0.32 1.03 0.70 0.00 0.00 175.22 176.97 1ll4 s ARG 39 N -4.14 3.54 -0.34 0.44 0.52 1.00 0.41 118.95 120.37 1ll4 s ARG 39 Ca 0.55 -0.26 -0.01 0.00 -0.52 0.00 0.00 55.73 55.49 1ll4 s ARG 39 Cb -0.10 -2.91 0.12 0.00 0.52 0.00 0.00 34.95 32.58 1ll4 s ARG 39 CO 0.34 0.50 0.18 0.45 0.02 0.00 0.00 175.30 176.79 1ll4 s SER 40 N -2.62 3.35 -0.19 0.23 0.15 -1.25 -1.07 113.70 112.30 1ll4 s SER 40 Ca 0.38 -1.93 -0.06 0.00 0.70 0.00 0.00 55.95 55.04 1ll4 s SER 40 Cb -0.12 -0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 63.63 1ll4 s SER 40 CO 0.27 -0.35 0.04 -0.69 1.20 0.00 0.00 173.24 173.70 1ll4 s VAL 41 N 1.32 4.44 0.14 4.45 1.01 -0.00 -0.92 120.40 130.84 1ll4 s VAL 41 Ca 0.14 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.04 1ll4 s VAL 41 Cb -0.21 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1ll4 s VAL 41 CO -0.13 0.45 -0.17 0.54 0.00 0.00 0.00 175.10 175.79 1ll4 s VAL 42 N 0.62 1.61 -0.14 2.92 0.11 -0.40 -0.12 120.40 124.99 1ll4 s VAL 42 Ca 0.02 -1.78 -0.07 0.00 -2.93 0.00 0.00 61.98 57.21 1ll4 s VAL 42 Cb -0.13 -1.68 -0.04 0.00 -1.53 0.00 0.00 36.38 33.00 1ll4 s VAL 42 CO 0.02 -0.32 0.12 -0.31 -3.33 0.00 0.00 175.10 171.28 1ll4 s TYR 43 N -1.96 3.48 -0.16 1.54 1.51 -0.80 -0.44 117.35 120.51 1ll4 s TYR 43 Ca 0.12 0.41 -0.01 0.00 -1.01 0.00 0.00 57.07 56.57 1ll4 s TYR 43 Cb -0.06 -2.00 -0.01 0.00 -0.11 0.00 0.00 41.96 39.78 1ll4 s TYR 43 CO 0.05 0.54 -0.11 0.12 -1.11 0.00 0.00 175.55 175.05 1ll4 s PHE 44 N -0.52 2.86 -0.26 2.71 2.19 0.68 -1.36 117.98 124.29 1ll4 s PHE 44 Ca 0.12 -0.78 -0.05 0.00 0.33 0.00 0.00 56.93 56.55 1ll4 s PHE 44 Cb -0.12 -1.93 -0.00 0.00 -1.31 0.00 0.00 43.02 39.66 1ll4 s PHE 44 CO 0.02 -0.34 0.02 0.54 1.83 0.00 0.00 175.22 177.29 1ll4 s VAL 45 N 0.73 3.68 0.00 3.12 0.11 -1.26 -0.65 120.40 126.13 1ll4 s VAL 45 Ca -0.05 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 1ll4 s VAL 45 Cb -0.15 -2.79 0.00 0.00 -1.53 0.00 0.00 36.38 31.91 1ll4 s VAL 45 CO 0.02 0.26 0.00 -3.20 -3.33 0.00 0.00 175.10 168.84 1ll4 n ASN 46 N 4.83 0.00 0.00 3.54 2.85 0.10 -0.61 115.26 125.97 1ll4 n ASN 46 Ca -0.16 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.44 1ll4 n ASN 46 Cb 0.49 0.00 0.70 0.00 1.24 0.00 0.00 39.78 42.21 1ll4 n ASN 46 CO 0.00 0.00 0.00 -2.67 -2.11 0.00 0.00 177.26 172.48 1ll4 n TRP 47 N -3.52 0.00 0.28 1.20 2.14 -1.26 -3.72 117.44 112.55 1ll4 n TRP 47 Ca 0.00 0.00 0.17 0.00 2.07 0.00 0.00 57.50 59.74 1ll4 n TRP 47 Cb 0.00 -0.26 0.73 0.00 -0.81 0.00 0.00 31.31 30.97 1ll4 n TRP 47 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1ll4 h ALA 48 N 3.33 1.01 0.00 -1.67 0.00 -1.13 -2.50 119.26 118.30 1ll4 h ALA 48 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ll4 h ALA 48 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ll4 h ALA 48 CO 0.00 0.03 0.00 0.44 0.00 0.00 0.00 179.25 179.72 1ll4 n ILE 49 N -3.14 0.90 0.00 0.00 -5.35 -1.08 -0.95 119.36 109.74 1ll4 n ILE 49 Ca 0.00 0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.71 1ll4 n ILE 49 Cb 0.29 -0.97 0.00 0.00 -1.74 0.00 0.00 39.64 37.22 1ll4 n ILE 49 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1ll4 n TYR 50 N -1.47 0.00 -0.01 4.28 4.01 -0.94 -4.51 117.16 118.52 1ll4 n TYR 50 Ca 0.04 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.90 1ll4 n TYR 50 Cb 0.17 0.00 0.54 0.00 -0.31 0.00 0.00 39.34 39.74 1ll4 n TYR 50 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1ll4 h GLY 51 N 0.00 0.39 2.00 2.72 0.00 -1.78 -0.79 103.07 105.62 1ll4 h GLY 51 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 1ll4 h GLY 51 CO 0.00 0.08 -0.24 3.21 0.00 0.00 0.00 176.54 179.59 1ll4 h ARG 52 N 0.30 0.00 -0.73 4.80 3.08 -1.81 -3.47 114.38 116.54 1ll4 h ARG 52 Ca 0.22 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.03 1ll4 h ARG 52 Cb 0.47 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.44 1ll4 h ARG 52 CO -0.05 0.24 -0.23 0.41 -1.07 0.00 0.00 179.97 179.27 1ll4 n GLY 53 N 0.57 1.08 3.65 0.04 0.00 -0.30 -4.99 105.19 105.23 1ll4 n GLY 53 Ca 0.01 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 1ll4 n GLY 53 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ll4 s HIS 54 N -2.46 3.30 0.31 1.61 5.04 -0.12 -4.93 115.29 118.02 1ll4 s HIS 54 Ca 0.00 0.23 0.09 0.00 -1.54 0.00 0.00 55.06 53.84 1ll4 s HIS 54 Cb 0.00 -2.31 -0.05 0.00 0.04 0.00 0.00 32.58 30.26 1ll4 s HIS 54 CO 0.00 0.01 0.01 -0.80 -2.34 0.00 0.00 174.74 171.62 1ll4 s ASN 55 N 1.21 4.34 0.51 9.88 -0.87 -1.26 -2.64 114.94 126.12 1ll4 s ASN 55 Ca 0.08 -0.83 0.19 0.00 -1.57 0.00 0.00 52.86 50.73 1ll4 s ASN 55 Cb -0.14 -0.66 1.29 0.00 -0.02 0.00 0.00 41.25 41.72 1ll4 s ASN 55 CO 0.06 -0.14 2.07 -0.65 -2.57 0.00 0.00 177.10 175.88 1ll4 h PRO 56 N 1.83 0.05 -0.66 -0.60 0.11 -1.94 -2.10 132.00 128.70 1ll4 h PRO 56 Ca -0.43 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.77 1ll4 h PRO 56 Cb 1.25 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 1ll4 h PRO 56 CO 0.63 0.03 0.44 1.96 -0.21 0.00 0.00 178.00 180.85 1ll4 h GLN 57 N 0.05 0.48 -1.73 1.05 7.50 -1.96 -2.64 115.11 117.86 1ll4 h GLN 57 Ca 0.13 -0.03 -0.73 0.00 0.50 0.00 0.00 58.65 58.52 1ll4 h GLN 57 Cb 0.45 -0.11 -0.29 0.00 0.05 0.00 0.00 27.48 27.58 1ll4 h GLN 57 CO -0.01 0.32 0.80 -0.40 -1.50 0.00 0.00 178.83 178.04 1ll4 n ASP 58 N -4.48 7.22 -4.54 1.46 5.68 -0.79 -4.87 116.55 116.23 1ll4 n ASP 58 Ca 0.11 -3.82 -0.34 0.00 -0.50 0.00 0.00 54.79 50.24 1ll4 n ASP 58 Cb 0.37 -0.97 -0.11 0.00 -1.14 0.00 0.00 41.12 39.26 1ll4 n ASP 58 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1ll4 s LEU 59 N -3.97 3.34 -1.33 -2.12 2.96 -1.00 -4.88 118.68 111.69 1ll4 s LEU 59 Ca 0.54 -0.07 -0.17 0.00 -0.22 0.00 0.00 54.13 54.21 1ll4 s LEU 59 Cb 0.45 -1.80 0.06 0.00 0.50 0.00 0.00 46.19 45.40 1ll4 s LEU 59 CO -0.31 0.20 1.83 1.17 -1.32 0.00 0.00 176.35 177.93 1ll4 n LYS 60 N 3.31 3.11 0.19 1.98 3.00 -1.26 -4.77 118.16 123.72 1ll4 n LYS 60 Ca -0.17 -3.14 0.18 0.00 -0.00 0.00 0.00 58.31 55.17 1ll4 n LYS 60 Cb 0.53 -3.46 0.82 0.00 0.00 0.00 0.00 35.03 32.91 1ll4 n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ll4 h ALA 61 N 7.30 1.85 0.00 3.14 0.00 -1.94 -1.39 119.26 128.22 1ll4 h ALA 61 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1ll4 h ALA 61 Cb 0.83 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ll4 h ALA 61 CO 1.54 -0.36 0.00 -0.40 0.00 0.00 0.00 179.25 180.03 1ll4 n ASP 62 N -3.77 0.06 0.05 0.00 5.75 -1.26 -2.01 116.55 115.37 1ll4 n ASP 62 Ca 0.03 0.51 0.12 0.00 -0.01 0.00 0.00 54.79 55.44 1ll4 n ASP 62 Cb 0.38 -0.52 0.27 0.00 -1.03 0.00 0.00 41.12 40.22 1ll4 n ASP 62 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1ll4 n GLN 63 N -1.56 0.20 -4.50 0.11 7.27 -0.52 -4.95 117.38 113.43 1ll4 n GLN 63 Ca 0.05 0.08 -0.24 0.00 0.07 0.00 0.00 57.00 56.97 1ll4 n GLN 63 Cb 0.25 -1.65 -0.11 0.00 2.41 0.00 0.00 30.24 31.15 1ll4 n GLN 63 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 1ll4 s PHE 64 N -3.11 2.16 -0.00 3.69 0.40 -0.85 -4.89 117.98 115.38 1ll4 s PHE 64 Ca 0.09 -0.76 0.02 0.00 -0.60 0.00 0.00 56.93 55.68 1ll4 s PHE 64 Cb 0.15 -1.38 -0.03 0.00 0.51 0.00 0.00 43.02 42.27 1ll4 s PHE 64 CO 0.68 0.27 0.03 0.25 0.70 0.00 0.00 175.22 177.15 1ll4 n THR 65 N -0.75 0.01 -3.65 0.64 -2.24 -0.10 -4.63 114.28 103.58 1ll4 n THR 65 Ca -0.04 -0.04 -0.18 0.00 -2.27 0.00 0.00 64.05 61.52 1ll4 n THR 65 Cb 0.65 0.27 -0.15 0.00 -2.10 0.00 0.00 70.33 69.00 1ll4 n THR 65 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1ll4 s HIS 66 N -2.11 -0.16 -0.18 4.78 3.76 -0.91 -0.60 115.29 119.87 1ll4 s HIS 66 Ca -0.01 0.51 -0.08 0.00 -0.15 0.00 0.00 55.06 55.34 1ll4 s HIS 66 Cb 0.01 -0.30 -0.04 0.00 1.11 0.00 0.00 32.58 33.36 1ll4 s HIS 66 CO 0.07 -0.32 0.07 0.42 -0.85 0.00 0.00 174.74 174.14 1ll4 s ILE 67 N 2.29 4.89 -0.17 0.60 -1.09 0.22 -1.27 121.20 126.66 1ll4 s ILE 67 Ca 0.03 0.00 -0.01 0.00 -2.23 0.00 0.00 60.65 58.45 1ll4 s ILE 67 Cb -0.13 -3.20 -0.00 0.00 -1.58 0.00 0.00 42.46 37.55 1ll4 s ILE 67 CO -0.07 0.47 -0.13 -0.76 -1.23 0.00 0.00 174.94 173.22 1ll4 s LEU 68 N 0.28 2.56 -0.28 2.97 1.02 0.41 -0.85 118.68 124.79 1ll4 s LEU 68 Ca 0.04 -0.46 -0.15 0.00 0.02 0.00 0.00 54.13 53.59 1ll4 s LEU 68 Cb -0.12 -1.60 -0.03 0.00 0.02 0.00 0.00 46.19 44.46 1ll4 s LEU 68 CO -0.00 0.06 0.38 -0.47 0.02 0.00 0.00 176.35 176.34 1ll4 s TYR 69 N 0.98 3.24 -0.02 0.29 5.04 0.12 -0.23 117.35 126.77 1ll4 s TYR 69 Ca -0.02 0.34 0.07 0.00 -2.44 0.00 0.00 57.07 55.03 1ll4 s TYR 69 Cb -0.15 -2.61 -0.02 0.00 0.35 0.00 0.00 41.96 39.53 1ll4 s TYR 69 CO -0.02 -0.28 -0.24 0.00 -1.34 0.00 0.00 175.55 173.67 1ll4 s ALA 70 N 2.09 2.25 0.20 3.97 0.00 0.17 0.15 121.76 130.59 1ll4 s ALA 70 Ca 0.15 -1.12 0.05 0.00 0.00 0.00 0.00 51.96 51.04 1ll4 s ALA 70 Cb -0.16 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 1ll4 s ALA 70 CO 0.10 0.53 -0.06 -0.06 0.00 0.00 0.00 175.76 176.28 1ll4 s PHE 71 N -0.65 1.50 0.03 0.00 0.08 -1.26 0.01 117.98 117.69 1ll4 s PHE 71 Ca 0.10 -0.81 0.05 0.00 0.12 0.00 0.00 56.93 56.39 1ll4 s PHE 71 Cb -0.10 -0.81 -0.03 0.00 -0.57 0.00 0.00 43.02 41.50 1ll4 s PHE 71 CO -0.00 0.07 -0.09 0.00 -0.10 0.00 0.00 175.22 175.10 1ll4 s ALA 72 N -3.31 2.94 0.43 5.36 0.00 0.95 -3.82 121.76 124.32 1ll4 s ALA 72 Ca 0.24 -1.09 0.08 0.00 0.00 0.00 0.00 51.96 51.19 1ll4 s ALA 72 Cb 0.04 -1.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.13 1ll4 s ALA 72 CO 0.06 0.61 0.48 1.21 0.00 0.00 0.00 175.76 178.12 1ll4 s ASN 73 N -1.57 5.29 0.06 0.00 3.84 0.14 -1.26 114.94 121.43 1ll4 s ASN 73 Ca 0.18 -0.64 0.06 0.00 0.21 0.00 0.00 52.86 52.67 1ll4 s ASN 73 Cb -0.11 -0.52 -0.03 0.00 -0.55 0.00 0.00 41.25 40.04 1ll4 s ASN 73 CO 0.08 -0.75 -0.17 -0.63 -2.79 0.00 0.00 177.10 172.85 1ll4 s ILE 74 N -2.44 1.33 0.26 -5.21 1.09 -1.26 -0.65 121.20 114.33 1ll4 s ILE 74 Ca 0.51 -1.23 0.07 0.00 -1.10 0.00 0.00 60.65 58.90 1ll4 s ILE 74 Cb -0.06 -1.22 -0.03 0.00 -1.06 0.00 0.00 42.46 40.09 1ll4 s ILE 74 CO 0.30 -0.03 0.23 -0.13 -0.10 0.00 0.00 174.94 175.21 1ll4 s ARG 75 N -1.46 2.95 0.50 2.79 0.52 0.19 -4.94 118.95 119.50 1ll4 s ARG 75 Ca 0.03 -1.06 0.30 0.00 -0.52 0.00 0.00 55.73 54.48 1ll4 s ARG 75 Cb -0.09 -2.59 1.40 0.00 0.52 0.00 0.00 34.95 34.19 1ll4 s ARG 75 CO 0.02 0.36 1.84 -1.35 0.02 0.00 0.00 175.30 176.19 1ll4 h PRO 76 N 1.42 0.11 0.00 3.54 0.11 -1.92 0.31 132.00 135.56 1ll4 h PRO 76 Ca -0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1ll4 h PRO 76 Cb 1.24 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ll4 h PRO 76 CO 0.60 0.07 -0.06 0.66 -0.21 0.00 0.00 178.00 179.07 1ll4 h SER 77 N 0.11 0.00 0.00 -2.05 4.64 -1.95 -3.31 113.55 110.99 1ll4 h SER 77 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1ll4 h SER 77 Cb 1.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 1ll4 h SER 77 CO -0.08 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.55 1ll4 n GLY 78 N -1.18 0.84 3.68 -0.77 0.00 0.09 -4.11 105.19 103.75 1ll4 n GLY 78 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1ll4 n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ll4 s GLU 79 N -0.42 4.27 0.04 1.61 2.12 -1.21 -2.96 118.70 122.14 1ll4 s GLU 79 Ca 0.00 1.93 -0.19 0.00 0.36 0.00 0.00 54.97 57.08 1ll4 s GLU 79 Cb 0.00 -3.66 -0.06 0.00 0.26 0.00 0.00 34.13 30.67 1ll4 s GLU 79 CO 0.00 -0.62 0.55 0.08 -0.54 0.00 0.00 175.26 174.73 1ll4 s VAL 80 N 2.76 4.84 0.08 3.70 1.01 -1.26 0.53 120.40 132.07 1ll4 s VAL 80 Ca 0.63 1.16 -0.13 0.00 0.00 0.00 0.00 61.98 63.65 1ll4 s VAL 80 Cb -0.30 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.22 1ll4 s VAL 80 CO 0.25 0.52 0.29 -0.72 0.00 0.00 0.00 175.10 175.44 1ll4 s TYR 81 N -0.81 -0.04 -0.07 5.22 -0.85 0.18 -4.76 117.35 116.20 1ll4 s TYR 81 Ca 0.29 -0.24 -0.30 0.00 -0.52 0.00 0.00 57.07 56.29 1ll4 s TYR 81 Cb -0.19 0.09 -0.03 0.00 0.38 0.00 0.00 41.96 42.21 1ll4 s TYR 81 CO 0.17 -0.57 1.24 -0.51 -1.52 0.00 0.00 175.55 174.36 1ll4 s LEU 82 N -2.55 4.26 0.63 -3.49 1.43 -1.26 -0.69 118.68 117.01 1ll4 s LEU 82 Ca 0.01 1.83 0.37 0.00 -1.03 0.00 0.00 54.13 55.30 1ll4 s LEU 82 Cb 0.02 -3.55 2.11 0.00 0.03 0.00 0.00 46.19 44.79 1ll4 s LEU 82 CO -0.08 -0.64 2.31 0.28 0.23 0.00 0.00 176.35 178.45 1ll4 h SER 83 N 7.69 0.00 -1.10 2.29 0.02 -1.92 -3.38 113.55 117.14 1ll4 h SER 83 Ca -0.33 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.44 1ll4 h SER 83 Cb 1.15 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.51 1ll4 h SER 83 CO 0.90 0.00 -0.52 -0.62 -1.14 0.00 0.00 176.83 175.45 1ll4 s ASP 84 N -5.70 -1.24 0.63 3.07 -1.08 -1.26 -4.99 116.67 106.10 1ll4 s ASP 84 Ca -0.05 -1.79 0.35 0.00 -0.52 0.00 0.00 52.55 50.54 1ll4 s ASP 84 Cb 0.14 1.73 2.00 0.00 -1.46 0.00 0.00 42.92 45.33 1ll4 s ASP 84 CO 0.49 -0.06 2.22 0.71 0.52 0.00 0.00 175.17 179.04 1ll4 h THR 85 N 4.97 0.24 0.57 1.71 1.35 -1.97 0.15 112.91 119.94 1ll4 h THR 85 Ca 0.07 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.91 1ll4 h THR 85 Cb 1.10 0.92 0.01 0.00 -1.73 0.00 0.00 68.15 68.44 1ll4 h THR 85 CO 0.04 0.00 -0.28 -0.25 -0.25 0.00 0.00 175.52 174.79 1ll4 h TRP 86 N 0.00 -0.71 0.07 4.73 2.91 -1.95 0.20 115.95 121.20 1ll4 h TRP 86 Ca 0.02 -0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.05 1ll4 h TRP 86 Cb 0.21 0.24 -0.04 0.00 -0.51 0.00 0.00 29.16 29.06 1ll4 h TRP 86 CO 0.00 -0.44 -0.25 0.00 -1.03 0.00 0.00 178.44 176.72 1ll4 h ALA 87 N -1.61 -0.38 0.46 2.65 0.00 -1.67 -1.43 119.26 117.29 1ll4 h ALA 87 Ca -0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ll4 h ALA 87 Cb 0.59 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ll4 h ALA 87 CO 0.13 -0.77 -0.27 -0.44 0.00 0.00 0.00 179.25 177.91 1ll4 h ASP 88 N -0.42 -0.66 0.00 0.00 3.32 -0.77 0.18 116.42 118.06 1ll4 h ASP 88 Ca 0.04 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1ll4 h ASP 88 Cb 0.47 0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1ll4 h ASP 88 CO -0.17 -0.43 -0.28 0.35 -1.72 0.00 0.00 179.24 176.98 1ll4 n THR 89 N -5.40 0.00 -0.03 0.35 -2.24 0.53 -1.29 114.28 106.19 1ll4 n THR 89 Ca -0.11 -0.15 -0.04 0.00 -2.27 0.00 0.00 64.05 61.48 1ll4 n THR 89 Cb 0.30 0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 69.15 1ll4 n THR 89 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ll4 n ASP 90 N -0.73 3.45 -4.64 3.42 10.43 -0.11 -0.81 116.55 127.55 1ll4 n ASP 90 Ca 0.00 -0.01 -0.45 0.00 2.57 0.00 0.00 54.79 56.89 1ll4 n ASP 90 Cb 0.00 0.40 -0.03 0.00 1.84 0.00 0.00 41.12 43.33 1ll4 n ASP 90 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 1ll4 n LYS 91 N -2.39 1.77 -3.66 -1.24 4.81 -0.56 -4.56 118.16 112.33 1ll4 n LYS 91 Ca -0.11 0.63 -0.37 0.00 -0.87 0.00 0.00 58.31 57.58 1ll4 n LYS 91 Cb 0.68 -2.20 -0.11 0.00 0.02 0.00 0.00 35.03 33.42 1ll4 n LYS 91 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1ll4 s HIS 92 N -0.36 3.24 0.63 5.64 3.76 -1.26 -0.94 115.29 125.99 1ll4 s HIS 92 Ca 0.66 0.08 -0.05 0.00 -0.15 0.00 0.00 55.06 55.61 1ll4 s HIS 92 Cb -0.69 -2.31 0.03 0.00 1.11 0.00 0.00 32.58 30.73 1ll4 s HIS 92 CO 0.53 -0.09 0.92 0.71 -0.85 0.00 0.00 174.74 175.96 1ll4 s TYR 93 N 1.42 3.07 -0.42 1.40 1.51 -1.26 -4.95 117.35 118.12 1ll4 s TYR 93 Ca 0.07 0.46 -0.45 0.00 -1.01 0.00 0.00 57.07 56.14 1ll4 s TYR 93 Cb -0.15 -2.91 -0.19 0.00 -0.11 0.00 0.00 41.96 38.60 1ll4 s TYR 93 CO 0.07 -1.05 1.59 -2.30 -1.11 0.00 0.00 175.55 172.76 1ll4 n PRO 94 N -2.67 0.23 0.00 -1.71 -0.02 -1.26 -1.19 135.00 128.38 1ll4 n PRO 94 Ca 0.06 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1ll4 n PRO 94 Cb 0.59 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 1ll4 n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ll4 n GLY 95 N 3.87 1.70 3.53 -1.23 0.00 -1.26 -5.06 105.19 106.74 1ll4 n GLY 95 Ca 0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 1ll4 n GLY 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ll4 s ASP 96 N -1.89 6.06 0.21 1.61 -0.00 -0.33 -5.04 116.67 117.29 1ll4 s ASP 96 Ca 0.00 -0.44 -0.31 0.00 -0.00 0.00 0.00 52.55 51.80 1ll4 s ASP 96 Cb 0.00 -2.14 -0.11 0.00 -0.00 0.00 0.00 42.92 40.67 1ll4 s ASP 96 CO 0.00 -0.24 1.60 -0.54 -0.00 0.00 0.00 175.17 175.99 1ll4 s LYS 97 N 1.72 4.18 -0.01 8.23 1.02 -1.26 -4.86 119.74 128.75 1ll4 s LYS 97 Ca 0.06 2.47 -0.25 0.00 0.02 0.00 0.00 55.97 58.27 1ll4 s LYS 97 Cb -0.17 -3.10 -0.19 0.00 -0.52 0.00 0.00 37.83 33.84 1ll4 s LYS 97 CO 0.10 -0.63 1.26 -1.49 -0.92 0.00 0.00 175.35 173.67 1ll4 h TRP 98 N 6.22 0.10 0.00 3.18 4.06 -1.98 -3.42 115.95 124.11 1ll4 h TRP 98 Ca -0.44 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.48 1ll4 h TRP 98 Cb 1.21 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 29.35 1ll4 h TRP 98 CO 0.63 0.57 0.00 -0.40 -3.56 0.00 0.00 178.44 175.68 1ll4 n ASP 99 N -4.77 0.00 -1.74 -3.49 3.85 -1.26 -5.08 116.55 104.06 1ll4 n ASP 99 Ca -0.08 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.00 1ll4 n ASP 99 Cb 0.29 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.06 1ll4 n ASP 99 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1ll4 n GLU 100 N 0.00 -2.86 -1.30 0.11 2.13 -1.26 -4.97 120.64 112.48 1ll4 n GLU 100 Ca 0.00 2.07 -0.34 0.00 0.66 0.00 0.00 57.16 59.54 1ll4 n GLU 100 Cb 0.00 -2.51 0.11 0.00 0.27 0.00 0.00 31.44 29.30 1ll4 n GLU 100 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1ll4 s PRO 101 N -1.54 1.91 0.00 5.31 0.04 -1.26 -4.91 135.00 134.55 1ll4 s PRO 101 Ca 0.00 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1ll4 s PRO 101 Cb 0.00 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1ll4 s PRO 101 CO 0.00 -2.02 0.00 0.41 0.04 0.00 0.00 177.00 175.43 1ll4 n GLY 102 N 0.55 2.08 3.52 0.56 0.00 -1.26 -4.85 105.19 105.78 1ll4 n GLY 102 Ca 0.14 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 1ll4 n GLY 102 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ll4 s ASN 103 N 0.00 6.35 0.13 1.61 2.47 -1.26 -4.97 114.94 119.26 1ll4 s ASN 103 Ca 0.00 -0.30 0.10 0.00 0.42 0.00 0.00 52.86 53.07 1ll4 s ASN 103 Cb 0.00 -2.35 -0.04 0.00 -1.45 0.00 0.00 41.25 37.41 1ll4 s ASN 103 CO 0.00 -0.86 -0.22 0.20 -3.72 0.00 0.00 177.10 172.50 1ll4 s ASN 104 N 2.14 3.63 -0.06 -4.21 0.01 -1.26 -0.34 114.94 114.85 1ll4 s ASN 104 Ca 0.25 -0.66 -0.04 0.00 -0.71 0.00 0.00 52.86 51.70 1ll4 s ASN 104 Cb -0.14 -0.40 -0.04 0.00 0.41 0.00 0.00 41.25 41.09 1ll4 s ASN 104 CO 0.20 0.17 0.10 0.68 -1.51 0.00 0.00 177.10 176.74 1ll4 s VAL 105 N -1.17 5.06 0.00 1.60 -7.23 -1.26 -4.98 120.40 112.41 1ll4 s VAL 105 Ca 0.17 -0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.24 1ll4 s VAL 105 Cb -0.10 -3.25 0.00 0.00 0.56 0.00 0.00 36.38 33.59 1ll4 s VAL 105 CO 0.09 0.50 0.00 -1.22 -0.31 0.00 0.00 175.10 174.15 1ll4 n TYR 106 N 1.63 0.00 -4.93 2.82 4.02 0.01 -4.62 117.16 116.09 1ll4 n TYR 106 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 1ll4 n TYR 106 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 1ll4 n TYR 106 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ll4 n GLY 107 N 2.92 0.80 0.24 2.72 0.00 -0.11 -1.41 105.19 110.36 1ll4 n GLY 107 Ca 0.00 -0.83 0.13 0.00 0.00 0.00 0.00 46.02 45.33 1ll4 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ll4 h ILE 109 N 0.00 1.20 -0.85 0.00 5.03 -1.19 0.23 117.51 121.92 1ll4 h ILE 109 Ca -0.00 -0.62 -0.02 0.00 -0.12 0.00 0.00 64.86 64.10 1ll4 h ILE 109 Cb 0.73 1.31 -0.04 0.00 -3.03 0.00 0.00 36.82 35.79 1ll4 h ILE 109 CO 0.01 0.19 0.47 0.50 -0.68 0.00 0.00 178.15 178.64 1ll4 h LYS 110 N 0.07 1.18 -0.71 2.37 3.64 -1.09 -1.27 116.57 120.76 1ll4 h LYS 110 Ca 0.05 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1ll4 h LYS 110 Cb 0.25 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1ll4 h LYS 110 CO 0.00 0.87 0.31 1.96 -2.27 0.00 0.00 179.45 180.31 1ll4 h GLN 111 N 1.18 1.03 -0.18 1.90 1.08 -1.18 0.60 115.11 119.53 1ll4 h GLN 111 Ca 0.30 -0.16 -0.14 0.00 -1.45 0.00 0.00 58.65 57.20 1ll4 h GLN 111 Cb 0.03 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.27 1ll4 h GLN 111 CO -0.05 0.82 -0.48 0.52 -0.95 0.00 0.00 178.83 178.69 1ll4 h MET 112 N 1.01 0.48 -0.57 1.46 2.86 -0.17 -0.71 114.93 119.29 1ll4 h MET 112 Ca 0.24 -0.27 -0.10 0.00 -2.06 0.00 0.00 59.70 57.52 1ll4 h MET 112 Cb 0.16 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 1ll4 h MET 112 CO -0.03 0.85 -0.03 -0.92 1.06 0.00 0.00 176.91 177.85 1ll4 h TYR 113 N 0.38 1.10 -0.36 -0.22 3.20 -0.17 0.66 116.97 121.57 1ll4 h TYR 113 Ca 0.02 -0.19 -0.08 0.00 3.14 0.00 0.00 58.73 61.62 1ll4 h TYR 113 Cb 0.98 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 1ll4 h TYR 113 CO 0.03 0.99 -0.11 -0.07 -1.64 0.00 0.00 178.16 177.36 1ll4 h LEU 114 N 0.92 0.61 -0.66 2.82 3.38 -0.75 0.61 115.31 122.23 1ll4 h LEU 114 Ca 0.16 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1ll4 h LEU 114 Cb 0.57 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1ll4 h LEU 114 CO 0.03 0.75 0.25 -0.07 0.09 0.00 0.00 178.44 179.50 1ll4 h LEU 115 N 0.57 0.91 -0.67 1.67 3.38 -0.22 -2.08 115.31 118.88 1ll4 h LEU 115 Ca 0.10 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1ll4 h LEU 115 Cb 0.53 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1ll4 h LEU 115 CO 0.03 0.84 0.15 0.11 0.09 0.00 0.00 178.44 179.66 1ll4 h LYS 116 N 0.93 1.08 -0.50 1.13 1.57 -0.28 0.19 116.57 120.70 1ll4 h LYS 116 Ca 0.22 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1ll4 h LYS 116 Cb 0.22 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1ll4 h LYS 116 CO -0.02 0.97 0.25 0.87 -0.57 0.00 0.00 179.45 180.95 1ll4 h LYS 117 N 1.01 0.71 -0.04 3.15 1.57 -0.75 -3.00 116.57 119.22 1ll4 h LYS 117 Ca 0.21 -0.10 -0.22 0.00 -1.87 0.00 0.00 60.65 58.67 1ll4 h LYS 117 Cb 0.39 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1ll4 h LYS 117 CO 0.01 0.59 -0.88 -0.91 -0.57 0.00 0.00 179.45 177.68 1ll4 h ASN 118 N 0.66 0.62 -3.85 0.86 2.35 -1.21 -3.39 115.58 111.62 1ll4 h ASN 118 Ca 0.17 -0.46 -0.67 0.00 -0.55 0.00 0.00 56.30 54.79 1ll4 h ASN 118 Cb 0.10 -0.19 -0.38 0.00 0.05 0.00 0.00 38.32 37.90 1ll4 h ASN 118 CO -0.02 1.25 -0.60 0.20 -1.65 0.00 0.00 177.43 176.61 1ll4 s ASN 119 N -7.09 4.88 0.07 5.81 0.01 0.65 -4.93 114.94 114.34 1ll4 s ASN 119 Ca -0.07 -2.42 0.18 0.00 -0.71 0.00 0.00 52.86 49.84 1ll4 s ASN 119 Cb 0.09 -1.72 0.76 0.00 0.41 0.00 0.00 41.25 40.78 1ll4 s ASN 119 CO 0.87 -0.39 1.57 0.54 -1.51 0.00 0.00 177.10 178.18 1ll4 n ARG 120 N 3.98 0.05 -0.21 -0.60 5.12 -1.22 -1.19 116.66 122.59 1ll4 n ARG 120 Ca 0.03 0.27 0.09 0.00 -1.93 0.00 0.00 57.85 56.32 1ll4 n ARG 120 Cb 0.39 -1.60 0.26 0.00 -1.16 0.00 0.00 32.46 30.35 1ll4 n ARG 120 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1ll4 n ASN 121 N -1.70 2.67 -4.50 0.55 5.15 -1.26 -1.35 115.26 114.82 1ll4 n ASN 121 Ca 0.03 -1.94 -0.42 0.00 -0.60 0.00 0.00 54.58 51.66 1ll4 n ASN 121 Cb 0.20 -0.28 -0.10 0.00 -0.53 0.00 0.00 39.78 39.08 1ll4 n ASN 121 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1ll4 s LEU 122 N -1.20 4.79 0.37 1.20 2.96 -0.33 -4.51 118.68 121.95 1ll4 s LEU 122 Ca 0.35 -0.62 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1ll4 s LEU 122 Cb 0.19 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 1ll4 s LEU 122 CO 0.26 -0.38 0.57 -0.54 -1.32 0.00 0.00 176.35 174.93 1ll4 s LYS 123 N 1.81 3.41 -0.00 1.98 3.01 0.23 -4.69 119.74 125.49 1ll4 s LYS 123 Ca 0.07 -0.36 0.04 0.00 -1.01 0.00 0.00 55.97 54.71 1ll4 s LYS 123 Cb -0.18 -2.64 -0.01 0.00 -1.01 0.00 0.00 37.83 33.99 1ll4 s LYS 123 CO 0.11 0.07 -0.13 0.95 0.51 0.00 0.00 175.35 176.86 1ll4 s THR 124 N -2.36 0.99 0.03 2.17 -4.23 -1.26 -0.61 115.64 110.36 1ll4 s THR 124 Ca 0.42 -0.58 0.05 0.00 -1.18 0.00 0.00 61.69 60.39 1ll4 s THR 124 Cb -0.10 -0.83 -0.02 0.00 1.34 0.00 0.00 72.50 72.89 1ll4 s THR 124 CO 0.36 0.24 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.78 1ll4 s LEU 125 N -0.39 2.14 0.07 4.79 1.02 -0.03 0.22 118.68 126.50 1ll4 s LEU 125 Ca 0.04 -0.42 -0.28 0.00 0.02 0.00 0.00 54.13 53.50 1ll4 s LEU 125 Cb -0.05 -0.64 -0.05 0.00 0.02 0.00 0.00 46.19 45.47 1ll4 s LEU 125 CO -0.00 0.07 0.87 -0.22 0.02 0.00 0.00 176.35 177.08 1ll4 s LEU 126 N -0.97 4.47 -0.14 1.79 0.20 -0.52 -0.70 118.68 122.80 1ll4 s LEU 126 Ca 0.03 1.62 -0.01 0.00 0.69 0.00 0.00 54.13 56.46 1ll4 s LEU 126 Cb -0.07 -3.41 -0.01 0.00 -0.43 0.00 0.00 46.19 42.26 1ll4 s LEU 126 CO 0.01 -0.04 -0.12 -0.55 -0.29 0.00 0.00 176.35 175.36 1ll4 s SER 127 N 0.03 4.01 -0.15 3.68 0.15 0.12 -0.28 113.70 121.25 1ll4 s SER 127 Ca 0.43 -0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.74 1ll4 s SER 127 Cb -0.22 -1.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.48 1ll4 s SER 127 CO 0.26 0.13 -0.19 -0.63 1.20 0.00 0.00 173.24 174.02 1ll4 s ILE 128 N 0.53 2.34 0.00 6.45 1.01 0.96 -0.03 121.20 132.46 1ll4 s ILE 128 Ca -0.08 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.69 1ll4 s ILE 128 Cb -0.16 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.35 1ll4 s ILE 128 CO 0.04 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.12 1ll4 n GLY 129 N 4.10 0.14 0.00 6.18 0.00 -0.39 -0.08 105.19 115.14 1ll4 n GLY 129 Ca -0.20 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1ll4 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ll4 n GLY 130 N 0.00 2.46 0.12 -0.02 0.00 -0.19 -4.20 105.19 103.35 1ll4 n GLY 130 Ca 0.00 -1.95 -0.08 0.00 0.00 0.00 0.00 46.02 43.99 1ll4 n GLY 130 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1ll4 h TRP 131 N 0.00 -0.05 -0.60 1.61 2.91 -1.91 0.13 115.95 118.04 1ll4 h TRP 131 Ca 0.00 0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.11 1ll4 h TRP 131 Cb 0.00 0.06 -0.04 0.00 -0.51 0.00 0.00 29.16 28.67 1ll4 h TRP 131 CO 0.00 -0.06 0.40 1.15 -1.03 0.00 0.00 178.44 178.90 1ll4 h THR 132 N 0.05 0.96 -0.01 2.65 2.02 -1.96 -3.14 112.91 113.49 1ll4 h THR 132 Ca 0.12 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1ll4 h THR 132 Cb 0.16 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1ll4 h THR 132 CO -0.22 0.09 -0.47 -1.22 0.37 0.00 0.00 175.52 174.08 1ll4 n TYR 133 N -4.48 0.00 0.31 3.16 0.53 -0.73 -4.62 117.16 111.33 1ll4 n TYR 133 Ca 0.09 0.00 0.20 0.00 -1.02 0.00 0.00 57.90 57.17 1ll4 n TYR 133 Cb 0.28 0.00 0.99 0.00 -1.03 0.00 0.00 39.34 39.59 1ll4 n TYR 133 CO 0.00 0.00 0.00 0.77 -1.02 0.00 0.00 176.86 176.61 1ll4 h SER 134 N 1.20 0.00 -1.12 7.72 0.02 -0.95 -0.89 113.55 119.53 1ll4 h SER 134 Ca 0.00 0.00 0.33 0.00 -0.84 0.00 0.00 61.79 61.28 1ll4 h SER 134 Cb 0.49 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.91 1ll4 h SER 134 CO 0.00 0.01 0.71 1.55 -1.14 0.00 0.00 176.83 177.96 1ll4 h PRO 135 N 0.00 0.28 -2.13 3.45 0.13 -1.82 -2.91 132.00 129.00 1ll4 h PRO 135 Ca -0.00 -0.02 -0.75 0.00 -0.87 0.00 0.00 66.00 64.36 1ll4 h PRO 135 Cb 0.21 -0.06 -0.30 0.00 0.13 0.00 0.00 31.00 30.97 1ll4 h PRO 135 CO 0.00 0.19 0.67 0.27 -0.23 0.00 0.00 178.00 178.90 1ll4 n ASN 136 N -4.74 6.81 -0.05 1.44 6.94 -0.34 -4.28 115.26 121.03 1ll4 n ASN 136 Ca 0.30 -3.73 -0.09 0.00 -0.02 0.00 0.00 54.58 51.04 1ll4 n ASN 136 Cb 1.07 -1.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.44 1ll4 n ASN 136 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1ll4 n PHE 137 N -0.25 0.00 -0.32 -2.53 3.72 -1.10 -4.70 117.46 112.28 1ll4 n PHE 137 Ca 0.46 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.97 1ll4 n PHE 137 Cb 0.30 -0.40 0.29 0.00 -0.94 0.00 0.00 39.48 38.74 1ll4 n PHE 137 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1ll4 h LYS 138 N -0.19 0.62 0.22 -1.08 2.10 -1.79 -2.60 116.57 113.85 1ll4 h LYS 138 Ca -0.25 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.35 1ll4 h LYS 138 Cb 1.30 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1ll4 h LYS 138 CO -0.10 0.41 -0.10 1.15 -2.00 0.00 0.00 179.45 178.81 1ll4 h THR 139 N 0.64 0.86 -0.95 0.07 2.02 -1.89 -2.24 112.91 111.43 1ll4 h THR 139 Ca 0.54 -0.67 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1ll4 h THR 139 Cb 0.87 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 68.47 1ll4 h THR 139 CO -0.41 0.14 0.59 1.55 0.37 0.00 0.00 175.52 177.77 1ll4 h PRO 140 N -0.64 1.27 0.00 6.66 0.13 -1.64 -2.96 132.00 134.82 1ll4 h PRO 140 Ca -0.03 -0.10 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 1ll4 h PRO 140 Cb 0.46 -0.27 -0.00 0.00 0.13 0.00 0.00 31.00 31.31 1ll4 h PRO 140 CO 0.05 0.87 -0.04 0.00 -0.23 0.00 0.00 178.00 178.65 1ll4 h ALA 141 N 1.35 1.19 0.00 -0.56 0.00 -1.44 -2.13 119.26 117.67 1ll4 h ALA 141 Ca 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1ll4 h ALA 141 Cb -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ll4 h ALA 141 CO -0.07 0.06 0.00 0.66 0.00 0.00 0.00 179.25 179.90 1ll4 h SER 142 N 0.00 0.00 -2.60 0.00 4.64 -1.22 -3.45 113.55 110.92 1ll4 h SER 142 Ca -0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 1ll4 h SER 142 Cb 0.20 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.13 1ll4 h SER 142 CO 0.01 0.00 -0.78 0.42 -0.87 0.00 0.00 176.83 175.60 1ll4 s THR 143 N -3.29 2.45 0.24 2.95 -4.23 -0.82 -5.00 115.64 107.94 1ll4 s THR 143 Ca 0.06 -2.25 -0.06 0.00 -1.18 0.00 0.00 61.69 58.27 1ll4 s THR 143 Cb 0.08 -2.24 0.18 0.00 1.34 0.00 0.00 72.50 71.86 1ll4 s THR 143 CO 0.59 -0.29 1.83 -0.08 -0.54 0.00 0.00 174.62 176.13 1ll4 h GLU 144 N 2.64 1.15 -0.34 3.99 4.57 -1.88 -0.77 114.58 123.94 1ll4 h GLU 144 Ca -0.43 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 57.56 1ll4 h GLU 144 Cb 1.24 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 1ll4 h GLU 144 CO 0.55 0.90 0.13 0.93 -1.18 0.00 0.00 179.01 180.34 1ll4 h GLU 145 N 1.13 0.51 -0.25 1.92 3.07 -1.94 0.73 114.58 119.76 1ll4 h GLU 145 Ca 0.27 -0.10 -0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1ll4 h GLU 145 Cb 0.14 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1ll4 h GLU 145 CO -0.03 0.51 0.15 0.78 -1.40 0.00 0.00 179.01 179.02 1ll4 h GLY 146 N 0.40 0.36 0.93 -3.84 0.00 -1.59 0.24 103.07 99.57 1ll4 h GLY 146 Ca 0.11 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 1ll4 h GLY 146 CO -0.01 0.15 -0.17 3.21 0.00 0.00 0.00 176.54 179.72 1ll4 h ARG 147 N 0.30 0.65 -0.53 4.80 3.08 -0.91 0.04 114.38 121.82 1ll4 h ARG 147 Ca 0.09 -0.30 0.08 0.00 0.07 0.00 0.00 59.98 59.92 1ll4 h ARG 147 Cb 0.03 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.00 1ll4 h ARG 147 CO -0.02 0.89 0.18 0.87 -1.07 0.00 0.00 179.97 180.82 1ll4 h LYS 148 N 0.41 0.34 -0.59 0.04 6.56 -0.66 0.13 116.57 122.79 1ll4 h LYS 148 Ca 0.06 -0.02 -0.08 0.00 -1.06 0.00 0.00 60.65 59.56 1ll4 h LYS 148 Cb 0.71 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 32.27 1ll4 h LYS 148 CO 0.05 0.23 0.06 -0.22 -2.06 0.00 0.00 179.45 177.51 1ll4 h LYS 149 N 0.35 0.98 0.28 3.15 3.64 -0.37 0.48 116.57 125.08 1ll4 h LYS 149 Ca 0.26 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1ll4 h LYS 149 Cb 0.31 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1ll4 h LYS 149 CO -0.28 0.93 -0.13 0.35 -2.27 0.00 0.00 179.45 178.05 1ll4 h PHE 150 N 0.92 -0.35 -0.29 1.91 3.04 -0.20 -1.50 116.94 120.47 1ll4 h PHE 150 Ca 0.18 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.18 1ll4 h PHE 150 Cb 0.45 0.12 -0.05 0.00 2.56 0.00 0.00 35.95 39.02 1ll4 h PHE 150 CO 0.03 -0.16 -0.04 0.00 -2.02 0.00 0.00 178.31 176.12 1ll4 h ALA 151 N 0.24 0.22 -0.40 2.41 0.00 -0.47 -0.16 119.26 121.09 1ll4 h ALA 151 Ca -0.04 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1ll4 h ALA 151 Cb 0.35 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1ll4 h ALA 151 CO 0.06 -0.44 -0.01 -0.44 0.00 0.00 0.00 179.25 178.42 1ll4 h ASP 152 N 0.04 0.70 -0.39 0.00 3.32 -0.84 -0.52 116.42 118.73 1ll4 h ASP 152 Ca 0.14 -0.31 -0.15 0.00 0.02 0.00 0.00 57.03 56.73 1ll4 h ASP 152 Cb 0.20 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1ll4 h ASP 152 CO -0.27 0.84 -0.33 0.71 -1.72 0.00 0.00 179.24 178.47 1ll4 h THR 153 N 0.54 1.27 -0.45 0.35 1.35 -1.04 -0.51 112.91 114.43 1ll4 h THR 153 Ca 0.11 -1.50 0.01 0.00 -0.55 0.00 0.00 66.41 64.48 1ll4 h THR 153 Cb 0.49 1.31 -0.02 0.00 -1.73 0.00 0.00 68.15 68.19 1ll4 h THR 153 CO 0.02 0.51 0.29 0.28 -0.25 0.00 0.00 175.52 176.37 1ll4 h SER 154 N 0.77 0.49 -0.55 5.36 0.02 -0.96 -0.33 113.55 118.36 1ll4 h SER 154 Ca 0.08 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 1ll4 h SER 154 Cb 0.92 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 1ll4 h SER 154 CO 0.09 0.35 0.14 0.25 -1.14 0.00 0.00 176.83 176.52 1ll4 h LEU 155 N 0.59 0.82 -0.23 5.07 5.85 -0.77 0.12 115.31 126.76 1ll4 h LEU 155 Ca 0.17 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.72 1ll4 h LEU 155 Cb -0.05 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.71 1ll4 h LEU 155 CO -0.05 0.83 -0.16 0.50 -0.34 0.00 0.00 178.44 179.23 1ll4 h LYS 156 N 0.77 -0.15 -0.06 1.25 3.64 -0.73 0.24 116.57 121.53 1ll4 h LYS 156 Ca 0.17 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1ll4 h LYS 156 Cb 0.33 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1ll4 h LYS 156 CO 0.00 -0.10 0.04 -0.07 -2.27 0.00 0.00 179.45 177.05 1ll4 h LEU 157 N -0.15 0.08 0.31 5.20 4.07 -0.88 0.13 115.31 124.06 1ll4 h LEU 157 Ca 0.13 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1ll4 h LEU 157 Cb 0.35 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 42.04 1ll4 h LEU 157 CO -0.32 0.10 -0.38 -0.03 -1.08 0.00 0.00 178.44 176.73 1ll4 h MET 158 N 0.04 -0.71 0.00 1.13 4.05 -0.34 -0.66 114.93 118.44 1ll4 h MET 158 Ca 0.02 0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 1ll4 h MET 158 Cb 0.04 0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.00 1ll4 h MET 158 CO -0.00 -0.47 -0.08 1.57 0.23 0.00 0.00 176.91 178.15 1ll4 h LYS 159 N -0.74 0.00 0.22 0.39 5.09 -0.92 -0.95 116.57 119.66 1ll4 h LYS 159 Ca -0.01 0.00 -0.33 0.00 0.09 0.00 0.00 60.65 60.39 1ll4 h LYS 159 Cb 0.69 0.00 0.03 0.00 0.10 0.00 0.00 32.23 33.04 1ll4 h LYS 159 CO -0.11 0.08 -1.52 -0.44 -2.09 0.00 0.00 179.45 175.36 1ll4 h ASP 160 N 0.00 0.73 0.07 7.07 3.45 -0.44 -3.36 116.42 123.93 1ll4 h ASP 160 Ca -0.00 -0.85 0.00 0.00 0.43 0.00 0.00 57.03 56.61 1ll4 h ASP 160 Cb 0.53 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.06 1ll4 h ASP 160 CO 0.01 1.68 -0.21 0.18 -1.57 0.00 0.00 179.24 179.33 1ll4 n LEU 161 N -3.65 1.74 -0.36 1.55 4.77 -0.28 -4.62 117.00 116.14 1ll4 n LEU 161 Ca -0.18 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 1ll4 n LEU 161 Cb 1.09 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 1ll4 n LEU 161 CO 0.57 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 1ll4 n GLY 162 N 1.33 0.95 3.90 -0.72 0.00 -0.47 -4.86 105.19 105.32 1ll4 n GLY 162 Ca 0.13 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 1ll4 n GLY 162 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ll4 s PHE 163 N -2.68 3.53 -0.98 1.61 0.08 -0.57 -4.87 117.98 114.10 1ll4 s PHE 163 Ca 0.00 0.40 0.27 0.00 0.12 0.00 0.00 56.93 57.72 1ll4 s PHE 163 Cb 0.00 -1.87 0.93 0.00 -0.57 0.00 0.00 43.02 41.51 1ll4 s PHE 163 CO 0.00 0.58 1.72 -0.25 -0.10 0.00 0.00 175.22 177.17 1ll4 n ASP 164 N 0.59 0.23 0.00 1.36 9.92 0.13 -4.70 116.55 124.08 1ll4 n ASP 164 Ca -0.07 0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 1ll4 n ASP 164 Cb 0.52 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.78 1ll4 n ASP 164 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ll4 n GLY 165 N 1.49 -1.29 3.16 0.44 0.00 -1.12 -0.65 105.19 107.22 1ll4 n GLY 165 Ca 0.06 -0.93 -0.17 0.00 0.00 0.00 0.00 46.02 44.98 1ll4 n GLY 165 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ll4 s ILE 166 N -2.98 1.04 -0.13 -0.61 -4.36 -0.49 -1.44 121.20 112.23 1ll4 s ILE 166 Ca 0.00 -1.35 0.00 0.00 -0.26 0.00 0.00 60.65 59.04 1ll4 s ILE 166 Cb 0.00 -1.09 0.02 0.00 1.25 0.00 0.00 42.46 42.65 1ll4 s ILE 166 CO 0.00 -0.30 -0.12 -0.62 0.24 0.00 0.00 174.94 174.14 1ll4 s ASP 167 N -1.86 2.41 0.02 4.36 3.68 0.61 -1.61 116.67 124.29 1ll4 s ASP 167 Ca -0.01 -0.40 -0.10 0.00 2.13 0.00 0.00 52.55 54.17 1ll4 s ASP 167 Cb -0.09 -1.02 -0.05 0.00 -1.45 0.00 0.00 42.92 40.31 1ll4 s ASP 167 CO 0.02 -0.07 0.34 -0.63 0.13 0.00 0.00 175.17 174.97 1ll4 s ILE 168 N 1.46 5.17 -0.50 4.11 1.09 -0.81 -0.03 121.20 131.68 1ll4 s ILE 168 Ca 0.02 0.47 0.04 0.00 -1.10 0.00 0.00 60.65 60.09 1ll4 s ILE 168 Cb -0.13 -3.62 0.17 0.00 -1.06 0.00 0.00 42.46 37.82 1ll4 s ILE 168 CO -0.08 0.43 0.40 -0.67 -0.10 0.00 0.00 174.94 174.92 1ll4 n ASP 169 N 1.33 0.67 -4.45 3.58 4.64 0.88 -1.55 116.55 121.66 1ll4 n ASP 169 Ca -0.12 -2.66 -0.43 0.00 -1.38 0.00 0.00 54.79 50.20 1ll4 n ASP 169 Cb 0.53 -0.62 -0.08 0.00 -1.04 0.00 0.00 41.12 39.90 1ll4 n ASP 169 CO 0.00 0.00 0.00 0.86 -0.82 0.00 0.00 177.20 177.24 1ll4 s TRP 170 N -0.49 3.18 -0.51 -0.67 -0.11 -1.26 -1.02 118.94 118.06 1ll4 s TRP 170 Ca 0.31 -0.55 -0.01 0.00 1.22 0.00 0.00 56.10 57.06 1ll4 s TRP 170 Cb 0.02 -2.99 0.13 0.00 -1.50 0.00 0.00 33.47 29.13 1ll4 s TRP 170 CO -0.19 -0.75 0.29 -1.21 -4.62 0.00 0.00 176.95 170.47 1ll4 s GLU 171 N 2.03 2.17 0.02 5.86 2.02 -1.26 -4.08 118.70 125.44 1ll4 s GLU 171 Ca 0.10 -2.24 -0.03 0.00 0.02 0.00 0.00 54.97 52.81 1ll4 s GLU 171 Cb -0.19 -3.56 -0.01 0.00 0.10 0.00 0.00 34.13 30.47 1ll4 s GLU 171 CO 0.11 -1.10 0.04 0.71 0.02 0.00 0.00 175.26 175.04 1ll4 s TYR 172 N 0.40 0.19 -0.48 1.61 1.51 -1.26 -4.76 117.35 114.55 1ll4 s TYR 172 Ca 0.13 -0.41 -0.35 0.00 -1.01 0.00 0.00 57.07 55.44 1ll4 s TYR 172 Cb -0.22 -0.14 -0.13 0.00 -0.11 0.00 0.00 41.96 41.35 1ll4 s TYR 172 CO -0.04 -0.25 2.28 -2.30 -1.11 0.00 0.00 175.55 174.14 1ll4 n PRO 173 N 1.41 0.77 0.00 -1.71 -0.02 -1.26 -4.82 135.00 129.37 1ll4 n PRO 173 Ca -0.23 0.17 0.14 0.00 -2.02 0.00 0.00 63.50 61.56 1ll4 n PRO 173 Cb 0.56 -2.30 0.60 0.00 -0.02 0.00 0.00 33.50 32.34 1ll4 n PRO 173 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1ll4 n GLU 174 N 8.24 0.01 -4.22 -0.52 0.28 -1.26 -4.75 120.64 118.42 1ll4 n GLU 174 Ca 0.46 -0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 57.28 1ll4 n GLU 174 Cb 0.20 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.50 1ll4 n GLU 174 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1ll4 s ASP 175 N -2.99 1.46 0.23 -1.84 1.47 -1.26 -5.04 116.67 108.70 1ll4 s ASP 175 Ca 0.14 -1.68 -0.08 0.00 1.18 0.00 0.00 52.55 52.11 1ll4 s ASP 175 Cb 0.19 0.60 0.22 0.00 -0.34 0.00 0.00 42.92 43.58 1ll4 s ASP 175 CO 0.54 -1.15 1.91 -0.08 0.68 0.00 0.00 175.17 177.06 1ll4 h GLU 176 N 2.12 1.17 -0.29 2.11 4.57 -1.91 -1.92 114.58 120.43 1ll4 h GLU 176 Ca -0.26 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 57.83 1ll4 h GLU 176 Cb 1.23 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 29.55 1ll4 h GLU 176 CO 0.37 0.77 0.10 -0.22 -1.18 0.00 0.00 179.01 178.86 1ll4 h LYS 177 N 1.21 0.44 -0.23 1.92 1.63 -1.97 -1.91 116.57 117.66 1ll4 h LYS 177 Ca 0.33 -0.09 -0.05 0.00 -0.85 0.00 0.00 60.65 59.99 1ll4 h LYS 177 Cb -0.13 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.42 1ll4 h LYS 177 CO -0.07 0.48 -0.10 1.96 -3.45 0.00 0.00 179.45 178.27 1ll4 h GLN 178 N 0.31 0.36 -0.12 1.90 4.20 -1.82 0.12 115.11 120.06 1ll4 h GLN 178 Ca 0.09 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1ll4 h GLN 178 Cb 0.21 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 1ll4 h GLN 178 CO -0.01 0.47 -0.01 0.00 -0.67 0.00 0.00 178.83 178.61 1ll4 h ALA 179 N 1.57 0.16 -0.74 3.87 0.00 -1.07 0.82 119.26 123.87 1ll4 h ALA 179 Ca 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1ll4 h ALA 179 Cb 0.38 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1ll4 h ALA 179 CO 0.02 -0.13 0.44 -0.91 0.00 0.00 0.00 179.25 178.67 1ll4 h ASN 180 N -0.08 0.89 -0.44 0.00 4.21 -0.68 -1.05 115.58 118.43 1ll4 h ASN 180 Ca 0.03 -0.05 -0.04 0.00 1.21 0.00 0.00 56.30 57.45 1ll4 h ASN 180 Cb 0.40 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.35 1ll4 h ASN 180 CO 0.01 0.69 0.15 0.44 -1.29 0.00 0.00 177.43 177.42 1ll4 h ASP 181 N 1.02 0.69 -0.27 5.81 3.45 -0.52 -0.74 116.42 125.85 1ll4 h ASP 181 Ca 0.27 -0.10 -0.14 0.00 0.43 0.00 0.00 57.03 57.49 1ll4 h ASP 181 Cb -0.03 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.55 1ll4 h ASP 181 CO -0.05 0.66 -0.32 0.15 -1.57 0.00 0.00 179.24 178.12 1ll4 h PHE 182 N 0.73 0.92 0.00 4.55 3.57 0.42 0.12 116.94 127.25 1ll4 h PHE 182 Ca 0.17 -0.25 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 1ll4 h PHE 182 Cb 0.23 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1ll4 h PHE 182 CO 0.01 1.00 -0.00 0.28 -2.23 0.00 0.00 178.31 177.38 1ll4 h VAL 183 N 0.67 1.13 -0.49 1.41 2.07 -0.54 -1.55 116.25 118.94 1ll4 h VAL 183 Ca 0.07 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1ll4 h VAL 183 Cb 0.86 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1ll4 h VAL 183 CO 0.08 0.10 0.18 -0.07 0.02 0.00 0.00 177.57 177.87 1ll4 h LEU 184 N -0.16 0.65 -0.51 2.57 3.38 -0.92 -0.40 115.31 119.92 1ll4 h LEU 184 Ca -0.00 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1ll4 h LEU 184 Cb 0.16 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1ll4 h LEU 184 CO 0.00 0.60 0.13 0.25 0.09 0.00 0.00 178.44 179.51 1ll4 h LEU 185 N 0.70 0.77 -0.13 1.67 5.85 -0.59 -0.28 115.31 123.30 1ll4 h LEU 185 Ca 0.17 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1ll4 h LEU 185 Cb 0.17 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1ll4 h LEU 185 CO -0.01 0.80 0.07 -0.07 -0.34 0.00 0.00 178.44 178.89 1ll4 h LEU 186 N 0.71 0.11 -0.79 2.25 4.07 -0.56 -0.87 115.31 120.22 1ll4 h LEU 186 Ca 0.16 0.00 0.10 0.00 0.08 0.00 0.00 57.88 58.22 1ll4 h LEU 186 Cb 0.33 -0.02 -0.07 0.00 1.08 0.00 0.00 40.66 41.98 1ll4 h LEU 186 CO 0.00 0.08 0.44 0.50 -1.08 0.00 0.00 178.44 178.38 1ll4 h LYS 187 N 0.15 0.71 -0.03 1.13 3.64 -0.83 0.92 116.57 122.25 1ll4 h LYS 187 Ca 0.05 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1ll4 h LYS 187 Cb -0.00 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 1ll4 h LYS 187 CO -0.03 0.47 -0.11 0.00 -2.27 0.00 0.00 179.45 177.51 1ll4 h ALA 188 N 1.45 -0.10 -0.42 5.00 0.00 -0.17 -0.45 119.26 124.57 1ll4 h ALA 188 Ca 0.39 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.21 1ll4 h ALA 188 Cb 0.38 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1ll4 h ALA 188 CO -0.26 -0.60 -0.14 0.00 0.00 0.00 0.00 179.25 178.26 1ll4 h ARG 190 N 0.70 0.33 -0.91 0.00 9.65 -0.65 -1.54 114.38 121.96 1ll4 h ARG 190 Ca 0.11 -0.12 0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1ll4 h ARG 190 Cb 0.63 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.14 1ll4 h ARG 190 CO 0.04 0.58 0.59 0.93 2.80 0.00 0.00 179.97 184.92 1ll4 h GLU 191 N 0.05 1.21 0.51 0.20 5.08 -0.89 -1.82 114.58 118.93 1ll4 h GLU 191 Ca 0.05 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1ll4 h GLU 191 Cb 0.45 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ll4 h GLU 191 CO 0.01 0.81 -0.31 0.00 -1.00 0.00 0.00 179.01 178.53 1ll4 h ALA 192 N 1.32 -0.78 -0.79 3.43 0.00 -0.50 -1.75 119.26 120.19 1ll4 h ALA 192 Ca 0.33 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1ll4 h ALA 192 Cb -0.12 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1ll4 h ALA 192 CO -0.07 -0.95 0.39 -0.07 0.00 0.00 0.00 179.25 178.55 1ll4 h LEU 193 N -0.78 1.03 -0.75 0.00 4.07 -1.21 -2.54 115.31 115.13 1ll4 h LEU 193 Ca -0.06 -0.13 -0.03 0.00 0.08 0.00 0.00 57.88 57.75 1ll4 h LEU 193 Cb 0.63 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 42.07 1ll4 h LEU 193 CO 0.06 0.87 0.37 0.44 -1.08 0.00 0.00 178.44 179.10 1ll4 h ASP 194 N 1.11 0.98 -0.88 -0.43 5.19 -1.30 -1.89 116.42 119.21 1ll4 h ASP 194 Ca 0.27 -0.13 0.04 0.00 -0.62 0.00 0.00 57.03 56.59 1ll4 h ASP 194 Cb 0.10 -0.25 -0.05 0.00 0.18 0.00 0.00 39.33 39.31 1ll4 h ASP 194 CO -0.04 0.83 0.58 0.00 -3.12 0.00 0.00 179.24 177.49 1ll4 h ALA 195 N 1.19 1.46 -0.41 3.45 0.00 -0.90 0.89 119.26 124.95 1ll4 h ALA 195 Ca 0.26 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 1ll4 h ALA 195 Cb 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1ll4 h ALA 195 CO -0.03 0.44 -0.31 -0.92 0.00 0.00 0.00 179.25 178.43 1ll4 h TYR 196 N 1.08 1.06 -0.39 0.00 5.03 -1.18 -1.79 116.97 120.78 1ll4 h TYR 196 Ca 0.35 -0.29 -0.09 0.00 2.58 0.00 0.00 58.73 61.29 1ll4 h TYR 196 Cb 0.05 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.08 1ll4 h TYR 196 CO -0.00 1.09 -0.12 0.77 -1.32 0.00 0.00 178.16 178.58 1ll4 h SER 197 N 0.76 0.69 -0.77 -2.11 0.02 -0.73 -2.81 113.55 108.61 1ll4 h SER 197 Ca 0.08 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1ll4 h SER 197 Cb 0.88 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.20 1ll4 h SER 197 CO 0.08 0.84 0.45 0.00 -1.14 0.00 0.00 176.83 177.05 1ll4 h ALA 198 N 1.23 0.98 0.00 3.77 0.00 -0.48 0.42 119.26 125.18 1ll4 h ALA 198 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ll4 h ALA 198 Cb 0.57 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ll4 h ALA 198 CO 0.04 0.47 0.00 1.63 0.00 0.00 0.00 179.25 181.38 1ll4 n LYS 199 N -4.47 0.15 -2.98 0.00 5.02 -0.70 -3.83 118.16 111.35 1ll4 n LYS 199 Ca 0.07 0.17 -0.16 0.00 -2.02 0.00 0.00 58.31 56.37 1ll4 n LYS 199 Cb 0.07 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.58 1ll4 n LYS 199 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1ll4 n HIS 200 N -1.23 -1.63 0.23 2.13 8.25 0.12 -5.01 115.22 118.08 1ll4 n HIS 200 Ca 0.05 -2.80 0.07 0.00 -0.26 0.00 0.00 57.72 54.78 1ll4 n HIS 200 Cb 0.06 0.55 0.54 0.00 1.12 0.00 0.00 29.99 32.26 1ll4 n HIS 200 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1ll4 h PRO 201 N 3.71 0.00 -0.00 -0.41 0.11 -1.63 0.11 132.00 133.88 1ll4 h PRO 201 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1ll4 h PRO 201 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1ll4 h PRO 201 CO 0.38 0.21 0.00 0.09 -0.21 0.00 0.00 178.00 178.47 1ll4 n ASN 202 N -4.00 0.03 0.00 -2.05 5.03 -1.26 -4.81 115.26 108.21 1ll4 n ASN 202 Ca -0.02 -1.44 0.00 0.00 0.87 0.00 0.00 54.58 53.99 1ll4 n ASN 202 Cb 0.29 -0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.05 1ll4 n ASN 202 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ll4 n GLY 203 N 0.79 3.20 3.87 7.41 0.00 0.38 -5.13 105.19 115.71 1ll4 n GLY 203 Ca 0.14 -1.96 -0.21 0.00 0.00 0.00 0.00 46.02 43.99 1ll4 n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ll4 s LYS 204 N 2.91 2.77 0.50 1.61 1.02 -1.26 -5.08 119.74 122.21 1ll4 s LYS 204 Ca 0.00 -1.26 -0.17 0.00 0.02 0.00 0.00 55.97 54.56 1ll4 s LYS 204 Cb 0.00 -2.52 -0.08 0.00 -0.52 0.00 0.00 37.83 34.71 1ll4 s LYS 204 CO 0.00 0.09 0.97 0.15 -0.92 0.00 0.00 175.35 175.64 1ll4 s LYS 205 N -4.02 3.97 0.13 1.68 -0.14 -1.26 -4.72 119.74 115.39 1ll4 s LYS 205 Ca 0.41 0.94 0.07 0.00 -1.36 0.00 0.00 55.97 56.04 1ll4 s LYS 205 Cb -0.06 -2.16 -0.04 0.00 -1.68 0.00 0.00 37.83 33.89 1ll4 s LYS 205 CO 0.27 -0.23 -0.07 -0.06 -0.76 0.00 0.00 175.35 174.50 1ll4 s PHE 206 N -2.56 2.76 0.30 3.18 0.40 -1.26 -5.03 117.98 115.76 1ll4 s PHE 206 Ca 0.59 -0.16 -0.08 0.00 -0.60 0.00 0.00 56.93 56.68 1ll4 s PHE 206 Cb -0.10 -1.40 -0.06 0.00 0.51 0.00 0.00 43.02 41.97 1ll4 s PHE 206 CO 0.29 0.47 0.61 -0.51 0.70 0.00 0.00 175.22 176.78 1ll4 s LEU 207 N -2.50 4.04 -0.17 -0.37 2.01 0.18 -4.96 118.68 116.92 1ll4 s LEU 207 Ca 0.24 0.90 -0.04 0.00 0.01 0.00 0.00 54.13 55.24 1ll4 s LEU 207 Cb -0.10 -3.72 0.08 0.00 0.01 0.00 0.00 46.19 42.46 1ll4 s LEU 207 CO 0.15 -0.20 0.23 -0.22 1.01 0.00 0.00 176.35 177.32 1ll4 s LEU 208 N -3.34 -0.17 0.38 1.79 2.96 -1.25 -1.40 118.68 117.65 1ll4 s LEU 208 Ca 0.47 0.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.47 1ll4 s LEU 208 Cb -0.11 0.47 -0.03 0.00 0.50 0.00 0.00 46.19 47.02 1ll4 s LEU 208 CO 0.27 -0.30 0.11 0.42 -1.32 0.00 0.00 176.35 175.53 1ll4 s THR 209 N 2.35 0.74 0.02 3.68 -4.23 -0.63 -0.41 115.64 117.16 1ll4 s THR 209 Ca 0.05 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.52 1ll4 s THR 209 Cb -0.14 -2.46 -0.01 0.00 1.34 0.00 0.00 72.50 71.22 1ll4 s THR 209 CO -0.11 0.00 0.08 0.27 -0.54 0.00 0.00 174.62 174.32 1ll4 s ILE 210 N -3.26 0.11 -0.16 2.99 -4.36 -1.25 -1.92 121.20 113.36 1ll4 s ILE 210 Ca 0.27 -0.88 -0.21 0.00 -0.26 0.00 0.00 60.65 59.58 1ll4 s ILE 210 Cb 0.04 -0.52 -0.03 0.00 1.25 0.00 0.00 42.46 43.20 1ll4 s ILE 210 CO 0.14 -0.48 0.62 0.00 0.24 0.00 0.00 174.94 175.46 1ll4 s ALA 211 N -1.76 3.49 0.31 2.27 0.00 -0.59 -0.95 121.76 124.52 1ll4 s ALA 211 Ca -0.12 -0.17 0.10 0.00 0.00 0.00 0.00 51.96 51.76 1ll4 s ALA 211 Cb -0.06 -2.92 -0.06 0.00 0.00 0.00 0.00 23.12 20.08 1ll4 s ALA 211 CO -0.01 -0.37 -0.12 -1.54 0.00 0.00 0.00 175.76 173.72 1ll4 s SER 212 N 1.02 3.47 -0.03 0.00 1.04 0.72 -4.63 113.70 115.29 1ll4 s SER 212 Ca 0.30 -1.14 -0.30 0.00 0.48 0.00 0.00 55.95 55.29 1ll4 s SER 212 Cb -0.16 -0.29 -0.04 0.00 0.10 0.00 0.00 66.02 65.62 1ll4 s SER 212 CO 0.12 -0.15 1.34 -2.16 0.98 0.00 0.00 173.24 173.37 1ll4 s PRO 213 N -3.60 4.29 0.07 4.02 0.04 -1.26 -1.35 135.00 137.21 1ll4 s PRO 213 Ca 0.31 1.87 0.25 0.00 0.04 0.00 0.00 61.00 63.47 1ll4 s PRO 213 Cb 0.00 -3.61 0.57 0.00 0.04 0.00 0.00 34.50 31.51 1ll4 s PRO 213 CO 0.15 -0.57 1.48 0.00 0.04 0.00 0.00 177.00 178.11 1ll4 n ALA 214 N 5.54 2.97 -2.67 8.56 0.00 -1.24 -4.49 120.51 129.17 1ll4 n ALA 214 Ca 0.13 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1ll4 n ALA 214 Cb 0.44 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 1ll4 n ALA 214 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ll4 s GLY 215 N -3.35 2.64 0.26 0.00 0.00 -1.26 -4.48 107.32 101.13 1ll4 s GLY 215 Ca 0.09 0.51 -0.01 0.00 0.00 0.00 0.00 44.72 45.31 1ll4 s GLY 215 CO 0.67 1.82 1.77 -2.55 0.00 0.00 0.00 173.10 174.81 1ll4 h PRO 216 N 6.94 0.63 0.00 2.90 0.11 -1.99 -1.33 132.00 139.27 1ll4 h PRO 216 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1ll4 h PRO 216 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1ll4 h PRO 216 CO 0.80 0.42 0.00 1.96 -0.21 0.00 0.00 178.00 180.97 1ll4 h GLN 217 N 0.65 0.00 0.00 1.05 4.20 -1.99 -1.01 115.11 118.02 1ll4 h GLN 217 Ca 0.46 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.87 1ll4 h GLN 217 Cb 0.62 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 1ll4 h GLN 217 CO -0.35 0.00 -1.99 0.09 -0.67 0.00 0.00 178.83 175.92 1ll4 n ASN 218 N -2.47 1.94 0.31 1.46 4.13 -0.56 -4.61 115.26 115.46 1ll4 n ASN 218 Ca -0.01 0.33 0.20 0.00 1.68 0.00 0.00 54.58 56.78 1ll4 n ASN 218 Cb 0.08 -0.79 0.94 0.00 -1.54 0.00 0.00 39.78 38.47 1ll4 n ASN 218 CO 0.00 0.00 0.00 0.10 0.28 0.00 0.00 177.26 177.64 1ll4 h TYR 219 N -0.99 0.00 0.00 3.10 -0.00 -1.28 -1.53 116.97 116.27 1ll4 h TYR 219 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.28 1ll4 h TYR 219 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.12 1ll4 h TYR 219 CO -0.21 0.00 0.00 0.09 -0.00 0.00 0.00 178.16 178.04 1ll4 n ASN 220 N -3.09 0.00 0.05 0.10 3.02 -0.39 -1.15 115.26 113.80 1ll4 n ASN 220 Ca -0.01 0.36 0.01 0.00 -0.03 0.00 0.00 54.58 54.91 1ll4 n ASN 220 Cb 0.20 -0.44 -0.06 0.00 -0.61 0.00 0.00 39.78 38.87 1ll4 n ASN 220 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1ll4 h LYS 221 N 0.00 0.00 -6.80 3.52 1.57 -1.53 -3.48 116.57 109.85 1ll4 h LYS 221 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1ll4 h LYS 221 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1ll4 h LYS 221 CO 0.00 0.30 0.39 -0.51 -0.57 0.00 0.00 179.45 179.06 1ll4 s LEU 222 N -5.85 4.53 -1.32 2.94 1.43 -0.30 -4.84 118.68 115.27 1ll4 s LEU 222 Ca -0.02 2.03 -0.10 0.00 -1.03 0.00 0.00 54.13 55.02 1ll4 s LEU 222 Cb 0.09 -3.72 0.14 0.00 0.03 0.00 0.00 46.19 42.72 1ll4 s LEU 222 CO 0.80 -0.01 1.99 0.29 0.23 0.00 0.00 176.35 179.65 1ll4 n LYS 223 N 1.14 3.53 -0.17 1.70 4.01 -1.26 -4.84 118.16 122.27 1ll4 n LYS 223 Ca -0.01 -3.32 -0.03 0.00 -0.51 0.00 0.00 58.31 54.45 1ll4 n LYS 223 Cb 0.47 -2.98 0.04 0.00 -0.51 0.00 0.00 35.03 32.05 1ll4 n LYS 223 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1ll4 h LEU 224 N 8.13 -0.50 -0.81 -0.35 3.38 -1.92 -0.76 115.31 122.48 1ll4 h LEU 224 Ca 0.45 0.16 -0.12 0.00 0.09 0.00 0.00 57.88 58.46 1ll4 h LEU 224 Cb 0.61 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1ll4 h LEU 224 CO 1.68 -0.18 -0.56 0.00 0.09 0.00 0.00 178.44 179.47 1ll4 h ALA 225 N 1.50 0.99 0.07 1.53 0.00 -1.88 0.53 119.26 122.00 1ll4 h ALA 225 Ca 0.25 -0.51 -0.27 0.00 0.00 0.00 0.00 54.91 54.38 1ll4 h ALA 225 Cb 0.38 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.11 1ll4 h ALA 225 CO -0.54 0.70 -1.11 1.49 0.00 0.00 0.00 179.25 179.79 1ll4 h GLU 226 N 0.00 0.63 -0.76 0.00 4.22 -1.85 -3.18 114.58 113.65 1ll4 h GLU 226 Ca -0.01 -0.77 0.02 0.00 0.08 0.00 0.00 59.36 58.68 1ll4 h GLU 226 Cb 1.04 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 1ll4 h GLU 226 CO 0.07 1.34 0.49 0.52 -2.18 0.00 0.00 179.01 179.26 1ll4 h MET 227 N 0.27 0.96 -0.86 1.92 2.86 -0.86 -2.80 114.93 116.43 1ll4 h MET 227 Ca -0.16 -0.06 0.15 0.00 -2.06 0.00 0.00 59.70 57.58 1ll4 h MET 227 Cb 1.78 -0.22 -0.07 0.00 0.06 0.00 0.00 31.60 33.16 1ll4 h MET 227 CO 0.21 0.64 0.56 0.22 1.06 0.00 0.00 176.91 179.60 1ll4 h ASP 228 N 0.99 0.55 -1.10 1.22 3.58 -0.88 -1.73 116.42 119.05 1ll4 h ASP 228 Ca 0.29 0.04 0.31 0.00 0.42 0.00 0.00 57.03 58.08 1ll4 h ASP 228 Cb -0.06 -0.07 -0.06 0.00 1.72 0.00 0.00 39.33 40.85 1ll4 h ASP 228 CO -0.08 0.27 0.76 0.11 -2.88 0.00 0.00 179.24 177.42 1ll4 h LYS 229 N 0.58 0.14 0.00 0.28 1.57 -1.52 -1.39 116.57 116.23 1ll4 h LYS 229 Ca 0.43 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1ll4 h LYS 229 Cb 0.82 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1ll4 h LYS 229 CO -0.18 0.09 -1.12 0.66 -0.57 0.00 0.00 179.45 178.33 1ll4 n TYR 230 N -4.36 0.36 -3.85 -1.35 4.02 -0.65 -4.98 117.16 106.35 1ll4 n TYR 230 Ca 0.25 0.11 -0.34 0.00 -0.01 0.00 0.00 57.90 57.91 1ll4 n TYR 230 Cb 1.08 -0.54 -0.05 0.00 -0.02 0.00 0.00 39.34 39.82 1ll4 n TYR 230 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1ll4 s LEU 231 N -4.24 4.37 0.03 7.72 1.43 -0.53 -4.77 118.68 122.69 1ll4 s LEU 231 Ca 0.02 0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 53.34 1ll4 s LEU 231 Cb 0.13 -2.67 -0.17 0.00 0.03 0.00 0.00 46.19 43.52 1ll4 s LEU 231 CO 0.81 0.25 1.26 0.44 0.23 0.00 0.00 176.35 179.34 1ll4 h ASP 232 N 3.81 0.47 -5.24 2.29 5.19 -1.04 -3.49 116.42 118.41 1ll4 h ASP 232 Ca -0.49 -0.58 0.11 0.00 -0.62 0.00 0.00 57.03 55.45 1ll4 h ASP 232 Cb 1.19 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 40.52 1ll4 h ASP 232 CO 0.68 0.97 0.44 0.72 -3.12 0.00 0.00 179.24 178.93 1ll4 s PHE 233 N -3.91 0.00 -0.07 4.55 -0.12 -1.26 -4.90 117.98 112.28 1ll4 s PHE 233 Ca -0.14 -0.46 0.05 0.00 -0.05 0.00 0.00 56.93 56.34 1ll4 s PHE 233 Cb 0.05 0.72 -0.01 0.00 -0.63 0.00 0.00 43.02 43.15 1ll4 s PHE 233 CO 0.78 -1.10 -0.24 -1.58 -0.05 0.00 0.00 175.22 173.03 1ll4 s TRP 234 N -2.69 2.40 -0.58 3.49 0.52 0.79 -3.76 118.94 119.11 1ll4 s TRP 234 Ca 0.16 -0.78 -0.07 0.00 0.02 0.00 0.00 56.10 55.44 1ll4 s TRP 234 Cb -0.03 -1.58 0.15 0.00 -1.15 0.00 0.00 33.47 30.85 1ll4 s TRP 234 CO 0.06 -0.26 0.43 -0.80 0.02 0.00 0.00 176.95 176.41 1ll4 s ASN 235 N -0.03 5.63 -0.17 2.95 0.01 -0.13 -0.04 114.94 123.16 1ll4 s ASN 235 Ca -0.07 -2.43 -0.29 0.00 -0.71 0.00 0.00 52.86 49.36 1ll4 s ASN 235 Cb -0.15 -1.96 -0.02 0.00 0.41 0.00 0.00 41.25 39.54 1ll4 s ASN 235 CO 0.05 -0.53 1.40 -0.22 -1.51 0.00 0.00 177.10 176.29 1ll4 s LEU 236 N 0.57 4.12 -1.25 0.60 2.96 -0.49 -0.20 118.68 124.98 1ll4 s LEU 236 Ca 0.12 1.71 -0.18 0.00 -0.22 0.00 0.00 54.13 55.57 1ll4 s LEU 236 Cb -0.21 -3.54 0.09 0.00 0.50 0.00 0.00 46.19 43.04 1ll4 s LEU 236 CO -0.04 -0.92 1.65 -0.04 -1.32 0.00 0.00 176.35 175.68 1ll4 s MET 237 N 3.90 3.97 -1.38 1.98 -1.94 -0.46 -0.23 119.30 125.15 1ll4 s MET 237 Ca 0.61 -2.05 -0.07 0.00 -1.71 0.00 0.00 55.69 52.47 1ll4 s MET 237 Cb -0.24 -5.42 0.09 0.00 2.01 0.00 0.00 34.83 31.27 1ll4 s MET 237 CO 0.21 -2.15 2.39 0.00 -0.01 0.00 0.00 175.02 175.47 1ll4 n ALA 238 N 7.85 6.65 -3.86 3.03 0.00 -1.25 -3.69 120.51 129.23 1ll4 n ALA 238 Ca 0.45 -4.02 -0.05 0.00 0.00 0.00 0.00 53.44 49.82 1ll4 n ALA 238 Cb 0.46 -2.95 0.02 0.00 0.00 0.00 0.00 19.45 16.98 1ll4 n ALA 238 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1ll4 s TYR 239 N -0.11 0.08 -1.50 0.00 -0.85 -1.26 -4.55 117.35 109.15 1ll4 s TYR 239 Ca 0.54 -0.55 -0.06 0.00 -0.52 0.00 0.00 57.07 56.48 1ll4 s TYR 239 Cb 0.17 0.74 0.01 0.00 0.38 0.00 0.00 41.96 43.25 1ll4 s TYR 239 CO -0.07 -1.10 0.77 -0.25 -1.52 0.00 0.00 175.55 173.39 1ll4 n ASP 240 N -1.24 -6.14 0.09 -0.18 10.43 -0.29 -4.91 116.55 114.30 1ll4 n ASP 240 Ca -0.04 -0.37 -0.04 0.00 2.57 0.00 0.00 54.79 56.90 1ll4 n ASP 240 Cb 0.60 -4.92 -0.03 0.00 1.84 0.00 0.00 41.12 38.60 1ll4 n ASP 240 CO 0.00 0.00 0.00 -0.26 -1.07 0.00 0.00 177.20 175.87 1ll4 h PHE 241 N -1.76 0.00 -3.94 1.24 0.04 -1.18 -3.45 116.94 107.89 1ll4 h PHE 241 Ca -0.54 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 59.95 1ll4 h PHE 241 Cb 1.37 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 39.31 1ll4 h PHE 241 CO 0.53 0.84 -0.73 -1.54 -0.60 0.00 0.00 178.31 176.80 1ll4 s SER 242 N -6.68 0.97 0.00 2.17 1.04 -1.25 -4.71 113.70 105.24 1ll4 s SER 242 Ca 0.01 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.84 1ll4 s SER 242 Cb 0.10 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1ll4 s SER 242 CO 0.79 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.41 1ll4 n GLY 243 N 1.28 -0.99 0.56 7.32 0.00 -1.26 -4.69 105.19 107.42 1ll4 n GLY 243 Ca -0.21 -0.85 0.41 0.00 0.00 0.00 0.00 46.02 45.36 1ll4 n GLY 243 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ll4 h SER 244 N 0.00 0.11 0.56 1.61 4.64 -1.94 0.41 113.55 118.93 1ll4 h SER 244 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1ll4 h SER 244 Cb 0.00 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1ll4 h SER 244 CO 0.00 -0.04 0.00 -2.67 -0.87 0.00 0.00 176.83 173.25 1ll4 n TRP 245 N -4.28 0.56 -2.95 4.77 2.14 -1.26 -4.88 117.44 111.53 1ll4 n TRP 245 Ca 0.35 0.23 -0.19 0.00 2.07 0.00 0.00 57.50 59.96 1ll4 n TRP 245 Cb 1.52 -0.87 0.03 0.00 -0.81 0.00 0.00 31.31 31.19 1ll4 n TRP 245 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1ll4 s ASP 246 N -3.84 5.37 -0.02 -0.67 -0.00 0.13 -5.05 116.67 112.58 1ll4 s ASP 246 Ca 0.04 -0.51 0.19 0.00 -0.00 0.00 0.00 52.55 52.27 1ll4 s ASP 246 Cb 0.09 -0.34 -0.27 0.00 -0.00 0.00 0.00 42.92 42.39 1ll4 s ASP 246 CO 0.32 -1.05 0.47 0.29 -0.00 0.00 0.00 175.17 175.20 1ll4 n LYS 247 N -2.08 0.64 -4.69 8.23 5.02 -1.26 -4.96 118.16 119.06 1ll4 n LYS 247 Ca 0.11 -0.14 -0.27 0.00 -2.02 0.00 0.00 58.31 55.98 1ll4 n LYS 247 Cb 0.60 -1.43 -0.14 0.00 -0.02 0.00 0.00 35.03 34.04 1ll4 n LYS 247 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ll4 s VAL 248 N -3.20 1.89 0.19 -0.18 1.01 -1.26 -3.36 120.40 115.48 1ll4 s VAL 248 Ca -0.05 -1.34 -0.30 0.00 0.00 0.00 0.00 61.98 60.29 1ll4 s VAL 248 Cb 0.12 -1.64 -0.09 0.00 0.00 0.00 0.00 36.38 34.78 1ll4 s VAL 248 CO 0.77 0.23 1.31 -0.94 0.00 0.00 0.00 175.10 176.47 1ll4 s SER 249 N -1.33 6.90 0.40 3.32 1.04 0.23 -4.90 113.70 119.37 1ll4 s SER 249 Ca 0.09 2.38 0.05 0.00 0.48 0.00 0.00 55.95 58.95 1ll4 s SER 249 Cb -0.09 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.40 1ll4 s SER 249 CO 0.02 -0.53 0.17 0.61 0.98 0.00 0.00 173.24 174.49 1ll4 n GLY 250 N 2.48 3.16 3.72 7.32 0.00 -1.26 -0.27 105.19 120.35 1ll4 n GLY 250 Ca 0.07 -2.08 -0.40 0.00 0.00 0.00 0.00 46.02 43.61 1ll4 n GLY 250 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ll4 s HIS 251 N -3.16 3.64 -1.33 1.61 3.76 0.26 -4.80 115.29 115.27 1ll4 s HIS 251 Ca 0.25 1.44 0.24 0.00 -0.15 0.00 0.00 55.06 56.83 1ll4 s HIS 251 Cb 0.01 -2.90 0.26 0.00 1.11 0.00 0.00 32.58 31.06 1ll4 s HIS 251 CO 0.17 0.10 1.24 0.00 -0.85 0.00 0.00 174.74 175.41 1ll4 n MET 252 N 3.58 0.38 -1.91 1.40 3.85 -1.26 -3.83 117.12 119.33 1ll4 n MET 252 Ca 0.01 -0.27 -0.03 0.00 -1.00 0.00 0.00 57.70 56.41 1ll4 n MET 252 Cb 0.51 -1.49 0.03 0.00 -1.05 0.00 0.00 33.22 31.21 1ll4 n MET 252 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1ll4 n SER 253 N -1.08 -0.49 -4.78 3.17 3.41 -1.26 -0.71 113.62 111.89 1ll4 n SER 253 Ca 0.07 -2.08 -0.35 0.00 -0.26 0.00 0.00 58.87 56.25 1ll4 n SER 253 Cb 0.36 0.23 -0.01 0.00 -0.26 0.00 0.00 64.21 64.53 1ll4 n SER 253 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ll4 s ASN 254 N -1.60 6.00 -0.10 4.04 4.22 -1.26 -4.82 114.94 121.42 1ll4 s ASN 254 Ca 0.12 2.14 -0.26 0.00 -2.14 0.00 0.00 52.86 52.72 1ll4 s ASN 254 Cb 0.26 -2.58 -0.22 0.00 1.28 0.00 0.00 41.25 39.98 1ll4 s ASN 254 CO -0.08 -1.03 0.89 0.58 -2.04 0.00 0.00 177.10 175.43 1ll4 h VAL 255 N 1.45 1.53 -3.89 3.54 2.07 -1.10 0.09 116.25 119.94 1ll4 h VAL 255 Ca -0.50 -1.84 -0.69 0.00 0.82 0.00 0.00 66.70 64.49 1ll4 h VAL 255 Cb 1.25 2.74 -0.21 0.00 -1.52 0.00 0.00 31.29 33.55 1ll4 h VAL 255 CO 0.58 0.46 -0.84 -0.36 0.02 0.00 0.00 177.57 177.43 1ll4 s PHE 256 N -2.88 2.42 0.30 1.57 0.40 -0.33 -1.77 117.98 117.68 1ll4 s PHE 256 Ca -0.17 -0.33 -0.30 0.00 -0.60 0.00 0.00 56.93 55.54 1ll4 s PHE 256 Cb -0.01 -1.32 -0.11 0.00 0.51 0.00 0.00 43.02 42.09 1ll4 s PHE 256 CO 0.64 0.32 1.55 -2.14 0.70 0.00 0.00 175.22 176.30 1ll4 s PRO 257 N -1.94 4.14 -0.33 0.24 0.02 -1.26 -4.78 135.00 131.09 1ll4 s PRO 257 Ca 0.15 2.53 -0.29 0.00 0.02 0.00 0.00 61.00 63.42 1ll4 s PRO 257 Cb -0.10 -3.03 0.01 0.00 0.02 0.00 0.00 34.50 31.40 1ll4 s PRO 257 CO 0.07 -0.58 1.18 0.45 -0.33 0.00 0.00 177.00 177.79 1ll4 s SER 258 N 0.35 6.79 0.15 2.53 0.15 -1.26 -4.89 113.70 117.52 1ll4 s SER 258 Ca 0.61 1.04 0.04 0.00 0.70 0.00 0.00 55.95 58.34 1ll4 s SER 258 Cb -0.47 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.22 1ll4 s SER 258 CO 0.50 -1.01 1.33 0.71 1.20 0.00 0.00 173.24 175.97 1ll4 h THR 259 N 5.89 1.56 -0.30 6.45 1.35 -1.97 -2.94 112.91 122.96 1ll4 h THR 259 Ca -0.23 -2.90 -0.13 0.00 -0.55 0.00 0.00 66.41 62.60 1ll4 h THR 259 Cb 1.08 2.63 -0.00 0.00 -1.73 0.00 0.00 68.15 70.12 1ll4 h THR 259 CO 1.05 0.84 -0.33 0.71 -0.25 0.00 0.00 175.52 177.54 1ll4 h THR 260 N 0.06 1.30 -2.09 6.82 1.35 -2.03 -3.37 112.91 114.94 1ll4 h THR 260 Ca -0.04 -1.50 -0.56 0.00 -0.55 0.00 0.00 66.41 63.75 1ll4 h THR 260 Cb 1.62 1.58 -0.40 0.00 -1.73 0.00 0.00 68.15 69.21 1ll4 h THR 260 CO 0.14 0.48 -0.91 1.17 -0.25 0.00 0.00 175.52 176.15 1ll4 n LYS 261 N -4.22 1.56 -0.32 4.72 4.81 -1.24 -4.96 118.16 118.51 1ll4 n LYS 261 Ca -0.04 -3.86 0.21 0.00 -0.87 0.00 0.00 58.31 53.75 1ll4 n LYS 261 Cb 0.50 -1.71 0.41 0.00 0.02 0.00 0.00 35.03 34.26 1ll4 n LYS 261 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1ll4 h PRO 262 N 3.82 0.19 0.00 1.64 0.11 -1.69 0.24 132.00 136.32 1ll4 h PRO 262 Ca 0.12 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 1ll4 h PRO 262 Cb 0.79 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 1ll4 h PRO 262 CO 0.62 0.13 -0.01 1.05 -0.21 0.00 0.00 178.00 179.57 1ll4 h GLU 263 N 0.20 0.00 0.00 1.05 9.09 -1.93 -1.14 114.58 121.85 1ll4 h GLU 263 Ca 0.68 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.09 1ll4 h GLU 263 Cb 1.54 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.64 1ll4 h GLU 263 CO -0.68 0.01 -0.03 -1.13 0.05 0.00 0.00 179.01 177.22 1ll4 n SER 264 N -3.47 0.43 -3.35 3.06 3.41 0.86 -4.40 113.62 110.16 1ll4 n SER 264 Ca -0.03 0.51 -0.26 0.00 -0.26 0.00 0.00 58.87 58.83 1ll4 n SER 264 Cb 0.10 -0.60 -0.08 0.00 -0.26 0.00 0.00 64.21 63.36 1ll4 n SER 264 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ll4 n THR 265 N -1.89 0.14 0.04 6.66 -2.24 -0.43 -0.57 114.28 115.98 1ll4 n THR 265 Ca 0.06 -4.26 0.20 0.00 -2.27 0.00 0.00 64.05 57.78 1ll4 n THR 265 Cb 0.39 -1.95 0.71 0.00 -2.10 0.00 0.00 70.33 67.38 1ll4 n THR 265 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1ll4 h PRO 266 N 4.51 0.00 0.00 -0.78 0.13 -1.77 -3.44 132.00 130.65 1ll4 h PRO 266 Ca 0.15 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.97 1ll4 h PRO 266 Cb 0.82 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.88 1ll4 h PRO 266 CO 0.55 0.00 -0.27 1.19 -0.23 0.00 0.00 178.00 179.25 1ll4 n PHE 267 N -4.23 -0.06 -3.63 1.56 3.01 -1.26 -5.11 117.46 107.74 1ll4 n PHE 267 Ca 0.08 -1.52 -0.08 0.00 1.01 0.00 0.00 57.45 56.94 1ll4 n PHE 267 Cb 0.57 0.04 -0.07 0.00 -0.01 0.00 0.00 39.48 40.01 1ll4 n PHE 267 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1ll4 s SER 268 N -2.41 -0.33 0.16 4.37 1.04 -1.26 -4.69 113.70 110.58 1ll4 s SER 268 Ca 0.15 0.61 -0.20 0.00 0.48 0.00 0.00 55.95 56.99 1ll4 s SER 268 Cb 0.01 0.60 0.07 0.00 0.10 0.00 0.00 66.02 66.80 1ll4 s SER 268 CO 0.10 -0.14 1.64 0.28 0.98 0.00 0.00 173.24 176.11 1ll4 h SER 269 N 3.69 -0.64 -0.88 7.02 0.02 -0.67 -2.96 113.55 119.13 1ll4 h SER 269 Ca -0.26 0.14 0.17 0.00 -0.84 0.00 0.00 61.79 61.00 1ll4 h SER 269 Cb 1.18 0.33 -0.10 0.00 0.14 0.00 0.00 62.40 63.95 1ll4 h SER 269 CO 0.15 -0.23 0.45 -0.78 -1.14 0.00 0.00 176.83 175.28 1ll4 h ASP 270 N -0.15 0.50 -0.13 3.07 1.82 -1.61 0.12 116.42 120.03 1ll4 h ASP 270 Ca 0.17 0.11 0.01 0.00 -0.39 0.00 0.00 57.03 56.93 1ll4 h ASP 270 Cb 0.41 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.45 1ll4 h ASP 270 CO -0.42 0.16 0.07 0.50 -1.61 0.00 0.00 179.24 177.94 1ll4 h LYS 271 N 0.57 0.14 0.26 0.28 1.63 -1.77 -2.29 116.57 115.38 1ll4 h LYS 271 Ca 0.51 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.29 1ll4 h LYS 271 Cb 0.81 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1ll4 h LYS 271 CO -0.42 0.09 -0.13 0.00 -3.45 0.00 0.00 179.45 175.55 1ll4 h ALA 272 N 1.07 -0.35 0.60 5.00 0.00 -0.82 -1.84 119.26 122.91 1ll4 h ALA 272 Ca 0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ll4 h ALA 272 Cb 0.01 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ll4 h ALA 272 CO -0.04 -0.70 -0.33 0.28 0.00 0.00 0.00 179.25 178.47 1ll4 h VAL 273 N -0.35 0.33 0.00 0.00 2.07 -1.29 0.67 116.25 117.69 1ll4 h VAL 273 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1ll4 h VAL 273 Cb 0.27 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1ll4 h VAL 273 CO 0.06 0.00 -0.03 0.07 0.02 0.00 0.00 177.57 177.69 1ll4 h LYS 274 N -0.86 0.00 -0.01 1.57 2.10 -1.45 -0.96 116.57 116.97 1ll4 h LYS 274 Ca -0.08 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.36 1ll4 h LYS 274 Cb 0.68 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.01 1ll4 h LYS 274 CO 0.11 0.03 -0.91 -0.44 -2.00 0.00 0.00 179.45 176.23 1ll4 h ASP 275 N 0.00 0.47 -0.42 7.07 5.19 -0.50 0.56 116.42 128.79 1ll4 h ASP 275 Ca -0.00 -0.37 -0.07 0.00 -0.62 0.00 0.00 57.03 55.97 1ll4 h ASP 275 Cb 0.27 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 1ll4 h ASP 275 CO 0.00 1.17 -0.01 1.88 -3.12 0.00 0.00 179.24 179.16 1ll4 h TYR 276 N 0.21 0.82 -0.19 4.55 -1.99 0.08 -0.69 116.97 119.75 1ll4 h TYR 276 Ca -0.07 -0.15 -0.04 0.00 2.00 0.00 0.00 58.73 60.48 1ll4 h TYR 276 Cb 1.54 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 40.05 1ll4 h TYR 276 CO 0.05 0.82 -0.02 0.82 -0.00 0.00 0.00 178.16 179.83 1ll4 h ILE 277 N 0.58 1.27 -0.25 -2.88 2.04 -1.15 0.12 117.51 117.24 1ll4 h ILE 277 Ca 0.12 -0.93 0.02 0.00 1.00 0.00 0.00 64.86 65.07 1ll4 h ILE 277 Cb 0.50 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1ll4 h ILE 277 CO 0.02 0.28 0.17 0.11 0.00 0.00 0.00 178.15 178.73 1ll4 h LYS 278 N 0.10 0.26 0.00 2.37 1.57 -0.82 -0.78 116.57 119.27 1ll4 h LYS 278 Ca 0.05 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1ll4 h LYS 278 Cb 0.43 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1ll4 h LYS 278 CO 0.01 0.17 -0.10 0.00 -0.57 0.00 0.00 179.45 178.97 1ll4 h ALA 279 N 1.85 1.03 0.00 3.86 0.00 0.01 -3.47 119.26 122.55 1ll4 h ALA 279 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ll4 h ALA 279 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ll4 h ALA 279 CO -0.02 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.76 1ll4 n GLY 280 N -0.01 1.54 3.73 0.00 0.00 0.26 -4.31 105.19 106.40 1ll4 n GLY 280 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1ll4 n GLY 280 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ll4 s VAL 281 N -2.00 4.95 0.00 1.61 1.01 -0.19 -4.83 120.40 120.95 1ll4 s VAL 281 Ca 0.00 1.49 -0.35 0.00 0.00 0.00 0.00 61.98 63.12 1ll4 s VAL 281 Cb 0.00 -4.06 -0.13 0.00 0.00 0.00 0.00 36.38 32.19 1ll4 s VAL 281 CO 0.00 0.30 1.70 -2.65 0.00 0.00 0.00 175.10 174.44 1ll4 n PRO 282 N 3.41 1.95 -0.36 2.72 -0.02 -1.26 -4.09 135.00 137.36 1ll4 n PRO 282 Ca -0.02 0.71 0.06 0.00 -2.02 0.00 0.00 63.50 62.23 1ll4 n PRO 282 Cb 0.51 -2.49 0.23 0.00 -0.02 0.00 0.00 33.50 31.73 1ll4 n PRO 282 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ll4 h ALA 283 N 7.30 1.51 0.00 3.55 0.00 -1.93 -0.19 119.26 129.49 1ll4 h ALA 283 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ll4 h ALA 283 Cb 1.28 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1ll4 h ALA 283 CO 0.91 0.27 0.00 0.27 0.00 0.00 0.00 179.25 180.70 1ll4 n ASN 284 N -4.58 0.50 -0.55 0.00 6.94 -1.03 -0.60 115.26 115.93 1ll4 n ASN 284 Ca 0.18 0.71 0.12 0.00 -0.02 0.00 0.00 54.58 55.57 1ll4 n ASN 284 Cb 0.32 -0.78 0.18 0.00 -2.36 0.00 0.00 39.78 37.14 1ll4 n ASN 284 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1ll4 n LYS 285 N -2.14 1.47 -3.28 -3.83 5.02 -0.09 -2.64 118.16 112.67 1ll4 n LYS 285 Ca -0.01 -1.11 -0.42 0.00 -2.02 0.00 0.00 58.31 54.75 1ll4 n LYS 285 Cb 0.06 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 33.51 1ll4 n LYS 285 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ll4 s ILE 286 N -2.30 5.04 -0.27 -0.18 1.01 0.24 -0.15 121.20 124.59 1ll4 s ILE 286 Ca 0.25 0.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.78 1ll4 s ILE 286 Cb 0.19 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 1ll4 s ILE 286 CO 0.46 -0.32 0.26 -0.69 0.00 0.00 0.00 174.94 174.64 1ll4 s VAL 287 N 2.30 5.26 -0.42 2.92 1.01 0.95 -0.55 120.40 131.87 1ll4 s VAL 287 Ca 0.16 0.33 -0.29 0.00 0.00 0.00 0.00 61.98 62.18 1ll4 s VAL 287 Cb -0.16 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1ll4 s VAL 287 CO 0.14 0.23 1.29 -0.22 0.00 0.00 0.00 175.10 176.54 1ll4 s LEU 288 N 1.76 3.65 0.21 3.92 1.98 -0.00 -1.40 118.68 128.80 1ll4 s LEU 288 Ca 0.10 0.75 -0.30 0.00 -2.89 0.00 0.00 54.13 51.79 1ll4 s LEU 288 Cb -0.16 -3.54 -0.09 0.00 0.66 0.00 0.00 46.19 43.06 1ll4 s LEU 288 CO 0.10 -1.31 1.29 -0.83 -1.89 0.00 0.00 176.35 173.70 1ll4 s GLY 289 N 3.20 2.55 -0.02 7.98 0.00 0.68 -1.22 107.32 120.49 1ll4 s GLY 289 Ca 0.55 1.10 0.03 0.00 0.00 0.00 0.00 44.72 46.40 1ll4 s GLY 289 CO 0.31 2.01 -0.10 1.06 0.00 0.00 0.00 173.10 176.38 1ll4 s MET 290 N -0.33 0.92 0.37 2.90 -1.94 0.16 -3.88 119.30 117.50 1ll4 s MET 290 Ca 0.55 -0.35 -0.25 0.00 -1.71 0.00 0.00 55.69 53.94 1ll4 s MET 290 Cb -0.36 -0.87 -0.10 0.00 2.01 0.00 0.00 34.83 35.51 1ll4 s MET 290 CO 0.39 0.18 0.99 -1.25 -0.01 0.00 0.00 175.02 175.32 1ll4 s PRO 291 N -0.04 4.37 -0.23 2.03 0.04 -1.26 -2.51 135.00 137.40 1ll4 s PRO 291 Ca 0.01 1.38 0.13 0.00 0.04 0.00 0.00 61.00 62.56 1ll4 s PRO 291 Cb -0.06 -2.62 0.52 0.00 0.04 0.00 0.00 34.50 32.38 1ll4 s PRO 291 CO 0.00 0.07 1.45 1.28 0.04 0.00 0.00 177.00 179.84 1ll4 n LEU 292 N 0.15 4.04 -4.34 -3.56 4.77 0.22 -4.82 117.00 113.45 1ll4 n LEU 292 Ca 0.04 -3.36 -0.18 0.00 -0.03 0.00 0.00 56.01 52.47 1ll4 n LEU 292 Cb 0.50 -0.59 -0.10 0.00 -2.33 0.00 0.00 43.42 40.91 1ll4 n LEU 292 CO 0.44 0.94 -0.22 -0.72 -1.33 0.00 0.00 177.39 176.49 1ll4 s TYR 293 N -3.03 1.60 0.02 -1.77 1.13 -1.26 -1.36 117.35 112.68 1ll4 s TYR 293 Ca 0.43 -1.29 0.02 0.00 -1.41 0.00 0.00 57.07 54.82 1ll4 s TYR 293 Cb 0.37 -0.90 -0.01 0.00 -1.10 0.00 0.00 41.96 40.32 1ll4 s TYR 293 CO 0.05 -0.43 -0.06 0.20 -2.51 0.00 0.00 175.55 172.80 1ll4 s GLY 294 N -3.37 0.35 -0.21 5.49 0.00 0.16 -4.73 107.32 105.01 1ll4 s GLY 294 Ca 0.36 -0.48 -0.11 0.00 0.00 0.00 0.00 44.72 44.49 1ll4 s GLY 294 CO 0.16 -0.49 0.18 0.50 0.00 0.00 0.00 173.10 173.45 1ll4 s ARG 295 N -0.86 4.15 0.33 2.90 0.52 -0.01 -0.67 118.95 125.31 1ll4 s ARG 295 Ca -0.05 -0.17 -0.02 0.00 -0.52 0.00 0.00 55.73 54.97 1ll4 s ARG 295 Cb -0.06 -3.48 -0.04 0.00 0.52 0.00 0.00 34.95 31.89 1ll4 s ARG 295 CO 0.00 0.17 0.56 0.00 0.02 0.00 0.00 175.30 176.05 1ll4 s ALA 296 N 0.74 3.66 -0.02 2.13 0.00 -0.22 0.05 121.76 128.10 1ll4 s ALA 296 Ca 0.10 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 1ll4 s ALA 296 Cb -0.13 -2.21 0.02 0.00 0.00 0.00 0.00 23.12 20.81 1ll4 s ALA 296 CO 0.02 0.07 0.05 -0.06 0.00 0.00 0.00 175.76 175.84 1ll4 s PHE 297 N -2.25 -0.02 0.16 0.00 0.40 0.19 -4.68 117.98 111.78 1ll4 s PHE 297 Ca 0.42 0.17 0.06 0.00 -0.60 0.00 0.00 56.93 56.97 1ll4 s PHE 297 Cb -0.10 -0.14 -0.04 0.00 0.51 0.00 0.00 43.02 43.25 1ll4 s PHE 297 CO 0.34 -0.08 0.06 0.00 0.70 0.00 0.00 175.22 176.25 1ll4 s ALA 298 N 0.76 3.39 -1.01 5.36 0.00 0.43 -1.06 121.76 129.64 1ll4 s ALA 298 Ca -0.06 -1.26 -0.10 0.00 0.00 0.00 0.00 51.96 50.54 1ll4 s ALA 298 Cb -0.09 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 1ll4 s ALA 298 CO -0.03 0.52 0.81 0.43 0.00 0.00 0.00 175.76 177.50 1ll4 n SER 299 N -0.13 -6.28 -4.24 0.00 7.64 -0.66 -0.25 113.62 109.71 1ll4 n SER 299 Ca -0.09 -0.72 -0.18 0.00 1.01 0.00 0.00 58.87 58.89 1ll4 n SER 299 Cb 0.54 -4.30 -0.11 0.00 -1.01 0.00 0.00 64.21 59.33 1ll4 n SER 299 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ll4 s THR 300 N -3.31 1.32 -0.13 0.44 -4.23 0.82 -3.86 115.64 106.68 1ll4 s THR 300 Ca 0.34 -1.67 -0.09 0.00 -1.18 0.00 0.00 61.69 59.09 1ll4 s THR 300 Cb -0.09 -1.49 -0.26 0.00 1.34 0.00 0.00 72.50 72.01 1ll4 s THR 300 CO 0.80 -0.39 0.36 0.47 -0.54 0.00 0.00 174.62 175.31 1ll4 n ASP 301 N 0.62 2.10 0.00 3.99 10.43 -1.26 -4.50 116.55 127.92 1ll4 n ASP 301 Ca -0.16 0.24 0.00 0.00 2.57 0.00 0.00 54.79 57.44 1ll4 n ASP 301 Cb 0.57 -0.88 0.00 0.00 1.84 0.00 0.00 41.12 42.64 1ll4 n ASP 301 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ll4 n GLY 302 N 1.93 -0.81 3.75 0.44 0.00 -1.26 -5.00 105.19 104.23 1ll4 n GLY 302 Ca -0.32 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1ll4 n GLY 302 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1ll4 n ILE 303 N 2.28 1.47 -0.65 -0.61 0.13 -1.26 -1.14 119.36 119.59 1ll4 n ILE 303 Ca 0.00 -0.37 0.00 0.00 -1.10 0.00 0.00 62.75 61.28 1ll4 n ILE 303 Cb 0.00 -1.91 0.00 0.00 -0.84 0.00 0.00 39.64 36.89 1ll4 n ILE 303 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1ll4 n GLY 304 N 1.39 1.42 3.97 4.50 0.00 0.63 -4.95 105.19 112.16 1ll4 n GLY 304 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 1ll4 n GLY 304 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ll4 s THR 305 N -3.54 3.12 0.60 2.61 -4.23 -0.29 -4.68 115.64 109.23 1ll4 s THR 305 Ca 0.00 -1.09 -0.17 0.00 -1.18 0.00 0.00 61.69 59.25 1ll4 s THR 305 Cb 0.00 -3.07 -0.03 0.00 1.34 0.00 0.00 72.50 70.74 1ll4 s THR 305 CO 0.00 -0.03 1.09 -0.94 -0.54 0.00 0.00 174.62 174.20 1ll4 s SER 306 N -4.26 5.55 0.13 3.99 1.04 -1.26 -0.60 113.70 118.30 1ll4 s SER 306 Ca 0.51 1.99 -0.00 0.00 0.48 0.00 0.00 55.95 58.93 1ll4 s SER 306 Cb -0.08 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.44 1ll4 s SER 306 CO 0.31 -1.33 0.02 0.72 0.98 0.00 0.00 173.24 173.95 1ll4 s PHE 307 N -2.20 0.93 -0.11 5.02 -0.12 -1.21 -4.15 117.98 116.14 1ll4 s PHE 307 Ca 0.68 -1.13 -0.03 0.00 -0.05 0.00 0.00 56.93 56.39 1ll4 s PHE 307 Cb -0.20 -0.54 0.05 0.00 -0.63 0.00 0.00 43.02 41.71 1ll4 s PHE 307 CO 0.35 -0.39 0.12 1.21 -0.05 0.00 0.00 175.22 176.46 1ll4 s ASN 308 N -3.07 1.34 0.00 1.98 2.47 0.66 -4.92 114.94 113.40 1ll4 s ASN 308 Ca 0.21 -0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.44 1ll4 s ASN 308 Cb 0.07 0.04 0.00 0.00 -1.45 0.00 0.00 41.25 39.91 1ll4 s ASN 308 CO 0.01 -0.28 0.00 0.61 -3.72 0.00 0.00 177.10 173.71 1ll4 n GLY 309 N 5.31 -1.00 0.00 1.21 0.00 -1.26 -4.13 105.19 105.31 1ll4 n GLY 309 Ca -0.05 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1ll4 n GLY 309 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ll4 n VAL 310 N -0.93 0.00 -4.17 1.61 0.24 -1.26 -0.43 118.33 113.40 1ll4 n VAL 310 Ca 0.00 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 1ll4 n VAL 310 Cb 0.00 1.34 0.00 0.00 -1.47 0.00 0.00 33.84 33.71 1ll4 n VAL 310 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ll4 n GLY 311 N 0.17 -0.82 0.00 7.63 0.00 -1.26 -3.93 105.19 106.98 1ll4 n GLY 311 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1ll4 n GLY 311 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ll4 n GLY 312 N 0.00 1.06 3.92 -0.02 0.00 -1.26 -3.18 105.19 105.72 1ll4 n GLY 312 Ca 0.00 -1.55 0.05 0.00 0.00 0.00 0.00 46.02 44.52 1ll4 n GLY 312 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ll4 s GLY 313 N 0.00 -0.29 0.15 -0.02 0.00 -1.14 0.11 107.32 106.13 1ll4 s GLY 313 Ca 0.00 0.36 0.02 0.00 0.00 0.00 0.00 44.72 45.11 1ll4 s GLY 313 CO 0.00 5.39 1.33 1.76 0.00 0.00 0.00 173.10 181.59 1ll4 h SER 314 N 2.00 0.23 0.00 1.64 0.02 -1.22 -3.42 113.55 112.80 1ll4 h SER 314 Ca -0.23 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1ll4 h SER 314 Cb 1.18 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1ll4 h SER 314 CO 0.29 1.05 -0.17 0.79 -1.14 0.00 0.00 176.83 177.65 1ll4 n TRP 315 N -3.59 0.00 -4.33 3.45 7.02 -1.26 -5.01 117.44 113.72 1ll4 n TRP 315 Ca -0.04 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.27 1ll4 n TRP 315 Cb 0.86 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.65 1ll4 n TRP 315 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 1ll4 s GLU 316 N -1.17 1.51 0.33 -0.99 -1.05 -1.26 -5.12 118.70 110.96 1ll4 s GLU 316 Ca 0.00 -1.85 -0.22 0.00 -0.15 0.00 0.00 54.97 52.75 1ll4 s GLU 316 Cb 0.00 -0.16 -0.10 0.00 -0.44 0.00 0.00 34.13 33.44 1ll4 s GLU 316 CO 0.00 -0.39 0.88 -0.80 0.95 0.00 0.00 175.26 175.90 1ll4 s ASN 317 N -3.35 7.12 0.00 0.83 0.02 -1.26 -2.88 114.94 115.42 1ll4 s ASN 317 Ca 0.36 1.66 0.00 0.00 -1.02 0.00 0.00 52.86 53.86 1ll4 s ASN 317 Cb 0.06 -2.52 0.00 0.00 0.02 0.00 0.00 41.25 38.81 1ll4 s ASN 317 CO 0.16 -0.14 0.00 0.61 0.02 0.00 0.00 177.10 177.75 1ll4 n GLY 318 N 0.17 0.38 2.89 0.66 0.00 0.31 -4.87 105.19 104.73 1ll4 n GLY 318 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1ll4 n GLY 318 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ll4 s VAL 319 N -1.93 0.80 -0.03 1.61 1.01 -1.23 -1.05 120.40 119.57 1ll4 s VAL 319 Ca 0.00 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 61.86 1ll4 s VAL 319 Cb 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 1ll4 s VAL 319 CO 0.00 0.31 -0.24 0.26 0.00 0.00 0.00 175.10 175.44 1ll4 s TRP 320 N 1.44 2.18 0.28 5.22 0.52 0.16 -0.63 118.94 128.10 1ll4 s TRP 320 Ca -0.01 -0.47 -0.29 0.00 0.02 0.00 0.00 56.10 55.34 1ll4 s TRP 320 Cb -0.13 -1.41 -0.10 0.00 -1.15 0.00 0.00 33.47 30.68 1ll4 s TRP 320 CO -0.04 -0.08 1.27 -0.51 0.02 0.00 0.00 176.95 177.61 1ll4 s ASP 321 N -0.45 6.92 0.34 2.95 1.01 -1.26 0.37 116.67 126.56 1ll4 s ASP 321 Ca 0.06 2.51 0.10 0.00 0.71 0.00 0.00 52.55 55.92 1ll4 s ASP 321 Cb -0.10 -2.63 0.84 0.00 1.01 0.00 0.00 42.92 42.04 1ll4 s ASP 321 CO 0.00 -0.45 1.81 0.22 0.21 0.00 0.00 175.17 176.96 1ll4 h TYR 322 N 4.14 0.89 0.00 4.23 3.20 -1.02 -0.34 116.97 128.07 1ll4 h TYR 322 Ca -0.47 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.43 1ll4 h TYR 322 Cb 1.22 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.22 1ll4 h TYR 322 CO 0.58 0.23 0.00 0.36 -1.64 0.00 0.00 178.16 177.69 1ll4 n LYS 323 N -4.65 0.24 0.00 1.82 2.85 -0.06 -0.47 118.16 117.88 1ll4 n LYS 323 Ca 0.21 0.13 0.12 0.00 -1.05 0.00 0.00 58.31 57.72 1ll4 n LYS 323 Cb 0.59 -1.50 0.11 0.00 -0.65 0.00 0.00 35.03 33.58 1ll4 n LYS 323 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1ll4 n ASP 324 N -1.23 1.58 -4.87 -5.58 8.00 -0.14 -4.91 116.55 109.39 1ll4 n ASP 324 Ca 0.07 -1.23 -0.33 0.00 0.71 0.00 0.00 54.79 54.00 1ll4 n ASP 324 Cb 0.09 0.42 -0.05 0.00 -0.02 0.00 0.00 41.12 41.56 1ll4 n ASP 324 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1ll4 s MET 325 N -2.55 3.77 0.03 -1.24 -1.94 0.38 -3.72 119.30 114.04 1ll4 s MET 325 Ca 0.19 0.19 -0.15 0.00 -1.71 0.00 0.00 55.69 54.21 1ll4 s MET 325 Cb 0.18 -2.87 -0.06 0.00 2.01 0.00 0.00 34.83 34.09 1ll4 s MET 325 CO 0.59 0.47 0.44 -1.25 -0.01 0.00 0.00 175.02 175.26 1ll4 s PRO 326 N -2.30 3.94 0.33 2.03 0.04 -1.26 -5.01 135.00 132.76 1ll4 s PRO 326 Ca 0.39 0.43 -0.28 0.00 0.04 0.00 0.00 61.00 61.58 1ll4 s PRO 326 Cb -0.13 -3.18 -0.10 0.00 0.04 0.00 0.00 34.50 31.14 1ll4 s PRO 326 CO 0.20 0.66 1.17 -0.65 0.04 0.00 0.00 177.00 178.42 1ll4 s GLN 327 N -1.24 4.41 0.11 4.56 -0.21 -1.24 -4.95 119.66 121.10 1ll4 s GLN 327 Ca 0.26 1.92 -0.36 0.00 0.02 0.00 0.00 55.36 57.21 1ll4 s GLN 327 Cb -0.17 -3.02 -0.16 0.00 1.00 0.00 0.00 33.01 30.67 1ll4 s GLN 327 CO 0.15 -0.03 1.38 1.04 -2.12 0.00 0.00 175.29 175.71 1ll4 n GLN 328 N 0.79 1.39 -0.82 2.91 6.02 -1.26 -1.75 117.38 124.66 1ll4 n GLN 328 Ca 0.01 0.50 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 1ll4 n GLN 328 Cb 0.44 -2.17 0.00 0.00 1.02 0.00 0.00 30.24 29.54 1ll4 n GLN 328 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ll4 n GLY 329 N 2.68 0.62 3.57 1.08 0.00 -1.26 -5.04 105.19 106.83 1ll4 n GLY 329 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1ll4 n GLY 329 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ll4 s ALA 330 N -2.14 2.93 -0.12 4.61 0.00 -0.72 -4.45 121.76 121.87 1ll4 s ALA 330 Ca 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 1ll4 s ALA 330 Cb 0.00 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 1ll4 s ALA 330 CO 0.00 0.59 0.08 1.14 0.00 0.00 0.00 175.76 177.58 1ll4 s GLN 331 N -1.20 3.40 -0.19 0.00 -2.07 0.05 -4.80 119.66 114.85 1ll4 s GLN 331 Ca 0.15 -0.25 -0.15 0.00 -1.82 0.00 0.00 55.36 53.28 1ll4 s GLN 331 Cb -0.11 -3.07 -0.04 0.00 -1.09 0.00 0.00 33.01 28.70 1ll4 s GLN 331 CO 0.05 0.66 0.37 0.08 -1.32 0.00 0.00 175.29 175.14 1ll4 s VAL 332 N -0.73 5.23 -0.13 3.63 1.01 -1.26 -1.46 120.40 126.69 1ll4 s VAL 332 Ca 0.12 0.67 -0.04 0.00 0.00 0.00 0.00 61.98 62.74 1ll4 s VAL 332 Cb -0.12 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1ll4 s VAL 332 CO 0.03 0.29 0.01 -0.89 0.00 0.00 0.00 175.10 174.54 1ll4 s THR 333 N 1.08 4.37 -0.20 3.92 2.01 0.09 -4.97 115.64 121.94 1ll4 s THR 333 Ca 0.19 -0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.00 1ll4 s THR 333 Cb -0.14 -2.89 0.03 0.00 0.01 0.00 0.00 72.50 69.51 1ll4 s THR 333 CO 0.07 0.54 -0.16 -1.61 -0.69 0.00 0.00 174.62 172.77 1ll4 s GLU 334 N -0.26 2.61 -0.78 4.92 2.02 -1.26 -1.36 118.70 124.59 1ll4 s GLU 334 Ca 0.06 -0.92 -0.06 0.00 0.02 0.00 0.00 54.97 54.07 1ll4 s GLU 334 Cb -0.12 -2.57 0.20 0.00 0.10 0.00 0.00 34.13 31.73 1ll4 s GLU 334 CO 0.02 -0.33 0.66 -0.51 0.02 0.00 0.00 175.26 175.13 1ll4 s LEU 335 N 1.28 5.82 0.26 1.80 1.02 0.88 -4.94 118.68 124.80 1ll4 s LEU 335 Ca 0.01 -3.07 -0.02 0.00 0.02 0.00 0.00 54.13 51.06 1ll4 s LEU 335 Cb -0.15 -1.99 0.44 0.00 0.02 0.00 0.00 46.19 44.51 1ll4 s LEU 335 CO -0.10 -0.37 1.84 -0.33 0.02 0.00 0.00 176.35 177.40 1ll4 h GLU 336 N 6.96 0.93 0.00 1.70 5.08 -1.96 -1.49 114.58 125.81 1ll4 h GLU 336 Ca 0.07 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ll4 h GLU 336 Cb 0.94 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1ll4 h GLU 336 CO 0.78 0.61 -0.00 0.38 -1.00 0.00 0.00 179.01 179.78 1ll4 h ASP 337 N 0.96 0.00 -0.11 1.42 -0.00 -1.95 -1.31 116.42 115.42 1ll4 h ASP 337 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.46 1ll4 h ASP 337 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.67 1ll4 h ASP 337 CO -0.23 0.00 0.00 2.30 -0.00 0.00 0.00 179.24 181.31 1ll4 n ILE 338 N -4.44 0.24 -3.44 4.15 -5.35 -1.09 -4.78 119.36 104.64 1ll4 n ILE 338 Ca -0.03 -0.62 -0.31 0.00 -0.27 0.00 0.00 62.75 61.52 1ll4 n ILE 338 Cb 0.09 1.09 0.03 0.00 -1.74 0.00 0.00 39.64 39.11 1ll4 n ILE 338 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ll4 n ALA 339 N 0.75 -2.49 -3.19 -1.28 0.00 -0.50 -1.19 120.51 112.62 1ll4 n ALA 339 Ca 0.09 0.35 -0.13 0.00 0.00 0.00 0.00 53.44 53.76 1ll4 n ALA 339 Cb 0.37 -2.20 -0.10 0.00 0.00 0.00 0.00 19.45 17.51 1ll4 n ALA 339 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ll4 s ALA 340 N -1.94 -0.71 0.18 0.00 0.00 -0.72 -3.15 121.76 115.42 1ll4 s ALA 340 Ca 0.29 0.63 -0.04 0.00 0.00 0.00 0.00 51.96 52.84 1ll4 s ALA 340 Cb -0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1ll4 s ALA 340 CO 0.86 -0.17 0.19 -1.54 0.00 0.00 0.00 175.76 175.10 1ll4 s SER 341 N -0.33 0.14 0.12 0.00 1.04 -1.25 -0.08 113.70 113.33 1ll4 s SER 341 Ca -0.04 -1.16 -0.25 0.00 0.48 0.00 0.00 55.95 54.98 1ll4 s SER 341 Cb -0.03 0.40 0.07 0.00 0.10 0.00 0.00 66.02 66.55 1ll4 s SER 341 CO 0.01 -0.86 0.62 -0.72 0.98 0.00 0.00 173.24 173.27 1ll4 s TYR 342 N -4.06 -0.56 0.11 5.02 1.13 -0.46 -2.93 117.35 115.59 1ll4 s TYR 342 Ca 0.27 0.49 0.03 0.00 -1.41 0.00 0.00 57.07 56.45 1ll4 s TYR 342 Cb 0.05 0.53 -0.04 0.00 -1.10 0.00 0.00 41.96 41.40 1ll4 s TYR 342 CO 0.06 -0.80 0.15 -1.54 -2.51 0.00 0.00 175.55 170.91 1ll4 s SER 343 N -2.44 5.80 -0.10 -0.18 1.04 -0.15 -0.73 113.70 116.94 1ll4 s SER 343 Ca -0.01 0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.40 1ll4 s SER 343 Cb -0.01 -1.62 0.04 0.00 0.10 0.00 0.00 66.02 64.53 1ll4 s SER 343 CO -0.08 0.13 0.24 -0.47 0.98 0.00 0.00 173.24 174.03 1ll4 s TYR 344 N -1.56 -0.31 -0.36 5.02 5.04 -0.54 -0.83 117.35 123.81 1ll4 s TYR 344 Ca 0.32 0.75 -0.09 0.00 -2.44 0.00 0.00 57.07 55.60 1ll4 s TYR 344 Cb -0.12 0.05 0.03 0.00 0.35 0.00 0.00 41.96 42.27 1ll4 s TYR 344 CO 0.24 -0.22 0.17 0.34 -1.34 0.00 0.00 175.55 174.75 1ll4 s ASP 345 N 1.10 5.57 0.26 4.32 3.68 -0.11 -0.77 116.67 130.72 1ll4 s ASP 345 Ca -0.08 -1.05 -0.04 0.00 2.13 0.00 0.00 52.55 53.51 1ll4 s ASP 345 Cb -0.09 -1.96 0.37 0.00 -1.45 0.00 0.00 42.92 39.78 1ll4 s ASP 345 CO -0.07 -0.36 1.88 0.50 0.13 0.00 0.00 175.17 177.25 1ll4 h LYS 346 N 8.35 1.13 0.21 4.34 1.63 -1.87 0.37 116.57 130.73 1ll4 h LYS 346 Ca -0.25 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.48 1ll4 h LYS 346 Cb 1.10 -0.26 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 1ll4 h LYS 346 CO 0.64 0.75 -0.10 -0.91 -3.45 0.00 0.00 179.45 176.38 1ll4 h ASN 347 N 1.17 -0.24 0.00 4.20 -0.26 -1.94 -3.27 115.58 115.24 1ll4 h ASN 347 Ca 0.41 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 56.16 1ll4 h ASN 347 Cb 0.12 0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.44 1ll4 h ASN 347 CO -0.16 -0.01 0.00 0.29 -1.06 0.00 0.00 177.43 176.49 1ll4 n LYS 348 N -3.67 0.58 -4.07 0.81 5.02 -1.20 -4.85 118.16 110.78 1ll4 n LYS 348 Ca -0.04 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.93 1ll4 n LYS 348 Cb 0.11 -1.35 -0.01 0.00 -0.02 0.00 0.00 35.03 33.77 1ll4 n LYS 348 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ll4 n ARG 349 N -0.85 -3.92 -4.78 1.97 1.74 0.13 -4.49 116.66 106.45 1ll4 n ARG 349 Ca 0.10 0.45 -0.32 0.00 -0.77 0.00 0.00 57.85 57.30 1ll4 n ARG 349 Cb 0.04 -5.10 -0.17 0.00 -1.02 0.00 0.00 32.46 26.22 1ll4 n ARG 349 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1ll4 s TYR 350 N -3.44 2.65 -0.15 -1.55 5.04 -0.99 -0.13 117.35 118.79 1ll4 s TYR 350 Ca 0.55 -1.26 -0.03 0.00 -2.44 0.00 0.00 57.07 53.89 1ll4 s TYR 350 Cb -0.29 -1.80 -0.02 0.00 0.35 0.00 0.00 41.96 40.20 1ll4 s TYR 350 CO 0.89 -0.56 -0.06 -1.17 -1.34 0.00 0.00 175.55 173.31 1ll4 s LEU 351 N 0.71 3.13 -0.22 6.97 1.98 -0.22 -0.93 118.68 130.10 1ll4 s LEU 351 Ca -0.09 -0.17 0.01 0.00 -2.89 0.00 0.00 54.13 50.98 1ll4 s LEU 351 Cb -0.16 -1.75 0.05 0.00 0.66 0.00 0.00 46.19 45.00 1ll4 s LEU 351 CO 0.00 0.17 -0.08 -0.63 -1.89 0.00 0.00 176.35 173.92 1ll4 s ILE 352 N 0.37 1.61 -0.24 6.68 1.01 -0.01 0.56 121.20 131.19 1ll4 s ILE 352 Ca -0.05 -1.14 -0.29 0.00 0.00 0.00 0.00 60.65 59.16 1ll4 s ILE 352 Cb -0.15 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.55 1ll4 s ILE 352 CO 0.03 0.02 1.15 -0.55 0.00 0.00 0.00 174.94 175.59 1ll4 s SER 353 N 1.38 6.96 0.18 3.58 0.15 0.11 -0.98 113.70 125.09 1ll4 s SER 353 Ca -0.04 1.38 -0.22 0.00 0.70 0.00 0.00 55.95 57.76 1ll4 s SER 353 Cb -0.18 -2.54 0.06 0.00 -1.71 0.00 0.00 66.02 61.65 1ll4 s SER 353 CO -0.07 -0.79 0.62 -0.72 1.20 0.00 0.00 173.24 173.47 1ll4 s TYR 354 N 3.54 -0.46 0.11 3.44 -0.85 -1.15 -0.83 117.35 121.16 1ll4 s TYR 354 Ca 0.49 0.20 -0.18 0.00 -0.52 0.00 0.00 57.07 57.05 1ll4 s TYR 354 Cb -0.16 0.58 -0.07 0.00 0.38 0.00 0.00 41.96 42.68 1ll4 s TYR 354 CO 0.13 -0.92 0.59 -0.51 -1.52 0.00 0.00 175.55 173.31 1ll4 s ASP 355 N -2.79 7.02 0.49 -0.18 -0.00 -1.26 -3.90 116.67 116.05 1ll4 s ASP 355 Ca 0.03 1.25 0.08 0.00 -0.00 0.00 0.00 52.55 53.92 1ll4 s ASP 355 Cb -0.02 -2.35 0.04 0.00 -0.00 0.00 0.00 42.92 40.58 1ll4 s ASP 355 CO -0.09 0.20 0.61 0.42 -0.00 0.00 0.00 175.17 176.32 1ll4 s THR 356 N -1.24 2.50 0.34 -1.27 -4.23 -1.26 -4.94 115.64 105.53 1ll4 s THR 356 Ca 0.33 -1.09 0.01 0.00 -1.18 0.00 0.00 61.69 59.76 1ll4 s THR 356 Cb -0.18 -2.59 0.24 0.00 1.34 0.00 0.00 72.50 71.31 1ll4 s THR 356 CO 0.20 0.00 1.98 -0.37 -0.54 0.00 0.00 174.62 175.88 1ll4 h VAL 357 N 0.53 1.18 -0.82 2.29 -1.51 -1.95 0.13 116.25 116.09 1ll4 h VAL 357 Ca -0.36 -0.40 -0.04 0.00 -1.23 0.00 0.00 66.70 64.67 1ll4 h VAL 357 Cb 1.28 0.31 -0.04 0.00 -2.13 0.00 0.00 31.29 30.72 1ll4 h VAL 357 CO 0.46 0.19 0.36 0.50 -1.23 0.00 0.00 177.57 177.85 1ll4 h LYS 358 N 0.85 1.21 -0.11 5.19 3.64 -1.99 0.24 116.57 125.60 1ll4 h LYS 358 Ca 0.22 -0.20 -0.22 0.00 -1.27 0.00 0.00 60.65 59.18 1ll4 h LYS 358 Cb -0.03 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1ll4 h LYS 358 CO -0.04 0.96 -0.80 0.82 -2.27 0.00 0.00 179.45 178.12 1ll4 h ILE 359 N 1.19 1.31 -0.78 2.00 1.08 -1.52 -1.90 117.51 118.89 1ll4 h ILE 359 Ca 0.28 -2.07 -0.00 0.00 -0.39 0.00 0.00 64.86 62.68 1ll4 h ILE 359 Cb 0.18 2.08 -0.04 0.00 -3.07 0.00 0.00 36.82 35.97 1ll4 h ILE 359 CO -0.03 0.64 0.48 0.00 -0.69 0.00 0.00 178.15 178.56 1ll4 h ALA 360 N 0.66 1.39 -0.60 1.87 0.00 -0.37 -0.24 119.26 121.97 1ll4 h ALA 360 Ca -0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1ll4 h ALA 360 Cb 1.42 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1ll4 h ALA 360 CO 0.16 0.54 0.27 0.78 0.00 0.00 0.00 179.25 181.00 1ll4 h GLY 361 N 1.08 0.94 2.00 0.00 0.00 -0.70 0.18 103.07 106.57 1ll4 h GLY 361 Ca 0.28 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 1ll4 h GLY 361 CO -0.06 0.45 -0.36 0.50 0.00 0.00 0.00 176.54 177.08 1ll4 h LYS 362 N 0.82 0.00 -0.10 4.80 1.79 -0.43 -0.75 116.57 122.71 1ll4 h LYS 362 Ca 0.20 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.60 1ll4 h LYS 362 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1ll4 h LYS 362 CO -0.02 0.36 -0.22 0.87 -1.08 0.00 0.00 179.45 179.35 1ll4 h LYS 363 N 0.00 0.33 -0.53 3.15 1.57 -0.15 -2.06 116.57 118.89 1ll4 h LYS 363 Ca -0.00 -0.22 0.09 0.00 -1.87 0.00 0.00 60.65 58.65 1ll4 h LYS 363 Cb 0.64 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.90 1ll4 h LYS 363 CO 0.05 0.82 0.11 0.00 -0.57 0.00 0.00 179.45 179.86 1ll4 h ALA 364 N 0.51 0.60 -0.77 3.86 0.00 -0.43 0.39 119.26 123.43 1ll4 h ALA 364 Ca 0.00 0.11 0.16 0.00 0.00 0.00 0.00 54.91 55.19 1ll4 h ALA 364 Cb 0.82 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.65 1ll4 h ALA 364 CO 0.05 -0.30 0.25 0.93 0.00 0.00 0.00 179.25 180.18 1ll4 h GLU 365 N 0.25 0.34 -0.37 0.00 5.08 -1.04 0.18 114.58 119.01 1ll4 h GLU 365 Ca 0.27 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.47 1ll4 h GLU 365 Cb 0.37 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1ll4 h GLU 365 CO -0.35 0.22 -0.30 -0.92 -1.00 0.00 0.00 179.01 176.67 1ll4 h TYR 366 N 0.35 1.02 0.23 4.33 3.20 -0.23 0.02 116.97 125.89 1ll4 h TYR 366 Ca 0.44 -0.29 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 1ll4 h TYR 366 Cb 0.74 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1ll4 h TYR 366 CO -0.21 1.08 -0.18 0.82 -1.64 0.00 0.00 178.16 178.03 1ll4 h ILE 367 N 0.66 0.62 0.82 1.81 2.04 0.14 -0.53 117.51 123.07 1ll4 h ILE 367 Ca 0.07 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.89 1ll4 h ILE 367 Cb 0.88 0.62 0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1ll4 h ILE 367 CO 0.08 0.00 -0.40 0.71 0.00 0.00 0.00 178.15 178.54 1ll4 h THR 368 N -0.41 0.08 -0.95 -0.27 1.35 -1.11 -0.90 112.91 110.70 1ll4 h THR 368 Ca -0.01 -0.14 0.29 0.00 -0.55 0.00 0.00 66.41 66.00 1ll4 h THR 368 Cb 0.37 0.10 -0.15 0.00 -1.73 0.00 0.00 68.15 66.73 1ll4 h THR 368 CO -0.01 0.01 0.40 0.11 -0.25 0.00 0.00 175.52 175.77 1ll4 h LYS 369 N -1.23 0.23 -0.10 4.72 6.56 -0.97 0.83 116.57 126.60 1ll4 h LYS 369 Ca -0.11 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.46 1ll4 h LYS 369 Cb 0.86 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.47 1ll4 h LYS 369 CO 0.19 0.15 0.00 0.09 -2.06 0.00 0.00 179.45 177.82 1ll4 n ASN 370 N -5.16 2.50 -3.55 0.86 3.02 -0.21 -4.95 115.26 107.76 1ll4 n ASN 370 Ca 0.27 -1.83 -0.20 0.00 -0.03 0.00 0.00 54.58 52.80 1ll4 n ASN 370 Cb 0.87 -0.06 0.07 0.00 -0.61 0.00 0.00 39.78 40.05 1ll4 n ASN 370 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ll4 n GLY 371 N 1.30 -0.36 3.93 7.41 0.00 0.28 -4.86 105.19 112.90 1ll4 n GLY 371 Ca 0.17 0.13 -0.25 0.00 0.00 0.00 0.00 46.02 46.06 1ll4 n GLY 371 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ll4 s MET 372 N -5.69 2.46 0.00 1.61 -1.94 -0.46 -2.47 119.30 112.81 1ll4 s MET 372 Ca 0.08 -0.25 0.16 0.00 -1.71 0.00 0.00 55.69 53.97 1ll4 s MET 372 Cb -0.04 -2.24 0.77 0.00 2.01 0.00 0.00 34.83 35.33 1ll4 s MET 372 CO 0.76 -1.01 1.50 0.41 -0.01 0.00 0.00 175.02 176.68 1ll4 n GLY 373 N -2.74 -0.94 0.00 -0.03 0.00 0.28 -4.68 105.19 97.08 1ll4 n GLY 373 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ll4 n GLY 373 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ll4 n GLY 374 N 0.14 0.66 3.40 -0.02 0.00 -1.26 -0.00 105.19 108.11 1ll4 n GLY 374 Ca 0.06 -2.13 -0.30 0.00 0.00 0.00 0.00 46.02 43.65 1ll4 n GLY 374 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ll4 s GLY 375 N 0.00 1.53 -0.00 -0.02 0.00 -0.24 -0.82 107.32 107.77 1ll4 s GLY 375 Ca 0.00 -1.33 0.06 0.00 0.00 0.00 0.00 44.72 43.44 1ll4 s GLY 375 CO 0.00 -1.26 -0.18 -0.29 0.00 0.00 0.00 173.10 171.37 1ll4 s MET 376 N -1.67 1.39 -0.05 2.90 0.00 -0.36 -0.82 119.30 120.69 1ll4 s MET 376 Ca 0.14 -0.67 0.03 0.00 0.00 0.00 0.00 55.69 55.18 1ll4 s MET 376 Cb -0.10 -1.36 0.01 0.00 0.00 0.00 0.00 34.83 33.37 1ll4 s MET 376 CO 0.05 0.37 -0.13 -1.58 0.00 0.00 0.00 175.02 173.73 1ll4 s TRP 377 N -0.49 1.39 -0.25 4.11 0.51 0.83 0.40 118.94 125.44 1ll4 s TRP 377 Ca 0.06 -0.43 0.00 0.00 -2.12 0.00 0.00 56.10 53.61 1ll4 s TRP 377 Cb -0.07 -0.98 0.04 0.00 -0.81 0.00 0.00 33.47 31.65 1ll4 s TRP 377 CO -0.00 -0.19 -0.08 -0.46 -0.51 0.00 0.00 176.95 175.70 1ll4 s TRP 378 N 0.34 3.14 0.05 -1.98 -0.11 -1.04 -1.91 118.94 117.43 1ll4 s TRP 378 Ca -0.08 -1.90 -0.04 0.00 1.22 0.00 0.00 56.10 55.31 1ll4 s TRP 378 Cb -0.12 -2.01 -0.02 0.00 -1.50 0.00 0.00 33.47 29.82 1ll4 s TRP 378 CO 0.02 -0.81 0.05 -1.83 -4.62 0.00 0.00 176.95 169.77 1ll4 s GLU 379 N 1.23 0.61 0.65 5.86 4.04 -1.26 -0.61 118.70 129.21 1ll4 s GLU 379 Ca -0.03 -0.93 0.10 0.00 0.04 0.00 0.00 54.97 54.14 1ll4 s GLU 379 Cb -0.18 0.23 0.45 0.00 0.02 0.00 0.00 34.13 34.65 1ll4 s GLU 379 CO -0.05 -0.14 1.22 0.66 -1.84 0.00 0.00 175.26 175.11 1ll4 h SER 380 N 3.44 0.00 0.89 0.83 4.64 -1.44 -2.97 113.55 118.94 1ll4 h SER 380 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1ll4 h SER 380 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1ll4 h SER 380 CO 0.56 0.00 -0.83 0.77 -0.87 0.00 0.00 176.83 176.46 1ll4 h SER 381 N 0.00 0.00 -0.06 4.97 4.64 -1.96 -3.36 113.55 117.77 1ll4 h SER 381 Ca 0.10 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1ll4 h SER 381 Cb 1.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.04 1ll4 h SER 381 CO -0.00 0.07 0.00 -1.54 -0.87 0.00 0.00 176.83 174.49 1ll4 n SER 382 N -2.36 1.58 -4.87 4.97 3.41 -1.12 -4.89 113.62 110.34 1ll4 n SER 382 Ca 0.02 -1.56 -0.31 0.00 -0.26 0.00 0.00 58.87 56.75 1ll4 n SER 382 Cb 0.49 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 1ll4 n SER 382 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ll4 s ASP 383 N -1.88 6.62 0.86 4.04 2.15 -1.26 -0.88 116.67 126.31 1ll4 s ASP 383 Ca 0.36 1.06 -0.11 0.00 0.43 0.00 0.00 52.55 54.30 1ll4 s ASP 383 Cb 0.20 -2.29 0.15 0.00 -0.30 0.00 0.00 42.92 40.69 1ll4 s ASP 383 CO 0.32 -0.22 1.19 -0.54 -0.17 0.00 0.00 175.17 175.75 1ll4 s LYS 384 N -3.24 1.22 0.53 4.34 1.02 -1.26 -4.72 119.74 117.63 1ll4 s LYS 384 Ca 0.50 -0.51 0.03 0.00 0.02 0.00 0.00 55.97 56.01 1ll4 s LYS 384 Cb -0.11 -2.01 0.03 0.00 -0.52 0.00 0.00 37.83 35.22 1ll4 s LYS 384 CO 0.24 -1.95 0.22 0.25 -0.92 0.00 0.00 175.35 173.18 1ll4 n THR 385 N -3.39 0.00 -4.91 2.17 -2.24 -1.26 -4.01 114.28 100.64 1ll4 n THR 385 Ca 0.14 -2.30 0.00 0.00 -2.27 0.00 0.00 64.05 59.61 1ll4 n THR 385 Cb 0.60 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 1ll4 n THR 385 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ll4 n GLY 386 N -1.41 2.26 0.24 3.38 0.00 -1.26 -1.86 105.19 106.53 1ll4 n GLY 386 Ca -0.11 -0.48 0.16 0.00 0.00 0.00 0.00 46.02 45.59 1ll4 n GLY 386 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ll4 h ASN 387 N 9.64 0.00 -0.48 1.61 4.21 -2.03 -1.16 115.58 127.37 1ll4 h ASN 387 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1ll4 h ASN 387 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1ll4 h ASN 387 CO 0.00 0.00 0.00 -0.62 -1.29 0.00 0.00 177.43 175.52 1ll4 n GLU 388 N -2.69 2.37 -2.16 0.81 1.02 -0.78 -4.90 120.64 114.31 1ll4 n GLU 388 Ca -0.01 -2.09 -0.43 0.00 -0.02 0.00 0.00 57.16 54.61 1ll4 n GLU 388 Cb 0.15 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.06 1ll4 n GLU 388 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ll4 s SER 389 N -1.25 6.70 0.27 1.62 0.15 -0.44 -4.44 113.70 116.30 1ll4 s SER 389 Ca 0.39 1.94 -0.03 0.00 0.70 0.00 0.00 55.95 58.95 1ll4 s SER 389 Cb 0.21 -2.53 0.39 0.00 -1.71 0.00 0.00 66.02 62.38 1ll4 s SER 389 CO 0.29 -0.94 1.90 -0.07 1.20 0.00 0.00 173.24 175.62 1ll4 h LEU 390 N 10.35 1.05 -0.19 3.45 3.38 -1.90 -0.34 115.31 131.11 1ll4 h LEU 390 Ca -0.34 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1ll4 h LEU 390 Cb 1.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1ll4 h LEU 390 CO 0.97 0.70 -0.05 0.58 0.09 0.00 0.00 178.44 180.72 1ll4 h VAL 391 N 1.20 1.29 -0.50 1.22 2.07 -1.91 -1.30 116.25 118.33 1ll4 h VAL 391 Ca 0.41 -1.05 0.10 0.00 0.82 0.00 0.00 66.70 66.99 1ll4 h VAL 391 Cb 0.09 1.59 -0.10 0.00 -1.52 0.00 0.00 31.29 31.35 1ll4 h VAL 391 CO -0.15 0.31 -0.16 1.23 0.02 0.00 0.00 177.57 178.83 1ll4 h GLY 392 N 0.08 0.28 0.51 2.17 0.00 -1.81 0.46 103.07 104.76 1ll4 h GLY 392 Ca 0.05 0.21 0.09 0.00 0.00 0.00 0.00 47.33 47.67 1ll4 h GLY 392 CO 0.02 -0.20 0.36 -0.84 0.00 0.00 0.00 176.54 175.88 1ll4 h THR 393 N -0.05 0.87 -0.15 4.70 2.02 -0.78 -1.70 112.91 117.82 1ll4 h THR 393 Ca 0.24 -0.21 -0.17 0.00 0.77 0.00 0.00 66.41 67.03 1ll4 h THR 393 Cb 0.41 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1ll4 h THR 393 CO -0.53 0.11 -0.63 0.58 0.37 0.00 0.00 175.52 175.42 1ll4 h VAL 394 N 0.62 1.33 -0.23 3.16 2.07 0.20 -2.02 116.25 121.38 1ll4 h VAL 394 Ca 0.34 -1.92 -0.06 0.00 0.82 0.00 0.00 66.70 65.89 1ll4 h VAL 394 Cb 0.34 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1ll4 h VAL 394 CO -0.25 0.59 -0.09 0.58 0.02 0.00 0.00 177.57 178.42 1ll4 h VAL 395 N 0.39 1.29 -0.65 2.57 2.07 -0.46 -0.76 116.25 120.70 1ll4 h VAL 395 Ca -0.01 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 66.44 1ll4 h VAL 395 Cb 1.19 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 32.45 1ll4 h VAL 395 CO 0.12 0.35 0.37 0.78 0.02 0.00 0.00 177.57 179.20 1ll4 h ASN 396 N 0.20 0.55 0.73 0.57 4.21 -1.35 0.16 115.58 120.65 1ll4 h ASN 396 Ca 0.06 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.59 1ll4 h ASN 396 Cb 0.57 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.69 1ll4 h ASN 396 CO 0.03 0.36 0.00 0.61 -1.29 0.00 0.00 177.43 177.14 1ll4 n GLY 397 N -1.28 -1.27 0.00 2.83 0.00 -0.76 -1.14 105.19 103.56 1ll4 n GLY 397 Ca 0.08 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1ll4 n GLY 397 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ll4 n LEU 398 N -2.21 0.17 0.00 0.99 4.32 -0.24 -4.69 117.00 115.34 1ll4 n LEU 398 Ca 0.02 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.34 1ll4 n LEU 398 Cb 0.23 -0.41 0.00 0.00 -1.62 0.00 0.00 43.42 41.62 1ll4 n LEU 398 CO 0.20 0.04 0.00 0.61 -1.22 0.00 0.00 177.39 177.02 1ll4 n GLY 399 N 1.49 1.30 1.26 -0.72 0.00 -0.29 -4.72 105.19 103.51 1ll4 n GLY 399 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1ll4 n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ll4 n GLY 400 N -1.08 -2.51 0.25 -0.02 0.00 0.40 -4.26 105.19 97.96 1ll4 n GLY 400 Ca 0.00 -1.62 0.08 0.00 0.00 0.00 0.00 46.02 44.48 1ll4 n GLY 400 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ll4 h THR 401 N 0.00 0.93 -0.03 2.61 1.35 -1.93 -1.18 112.91 114.66 1ll4 h THR 401 Ca 0.00 -0.42 0.01 0.00 -0.55 0.00 0.00 66.41 65.45 1ll4 h THR 401 Cb 0.00 1.24 -0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1ll4 h THR 401 CO 0.00 0.11 0.10 1.23 -0.25 0.00 0.00 175.52 176.71 1ll4 h GLY 402 N 0.43 0.00 -1.97 5.82 0.00 -1.96 0.21 103.07 105.61 1ll4 h GLY 402 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ll4 h GLY 402 CO 0.02 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.84 1ll4 n LYS 403 N -3.23 2.34 -2.88 4.80 4.01 -0.45 -4.94 118.16 117.81 1ll4 n LYS 403 Ca -0.02 -2.01 -0.33 0.00 -0.51 0.00 0.00 58.31 55.45 1ll4 n LYS 403 Cb 0.17 -1.49 -0.07 0.00 -0.51 0.00 0.00 35.03 33.14 1ll4 n LYS 403 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1ll4 s LEU 404 N -1.59 3.96 0.12 -0.35 1.43 0.75 -0.62 118.68 122.37 1ll4 s LEU 404 Ca 0.36 1.58 -0.31 0.00 -1.03 0.00 0.00 54.13 54.73 1ll4 s LEU 404 Cb 0.21 -4.42 -0.10 0.00 0.03 0.00 0.00 46.19 41.91 1ll4 s LEU 404 CO 0.31 -0.33 1.86 -0.70 0.23 0.00 0.00 176.35 177.71 1ll4 s GLU 405 N -3.17 4.13 -0.52 1.70 -6.30 0.16 -4.49 118.70 110.22 1ll4 s GLU 405 Ca 0.60 2.61 -0.18 0.00 -2.50 0.00 0.00 54.97 55.51 1ll4 s GLU 405 Cb -0.09 -3.67 0.08 0.00 0.00 0.00 0.00 34.13 30.45 1ll4 s GLU 405 CO 0.15 -0.86 0.56 -0.65 0.02 0.00 0.00 175.26 174.47 1ll4 s GLN 406 N 2.96 3.05 -0.11 4.30 -1.52 -1.26 -4.93 119.66 122.15 1ll4 s GLN 406 Ca 0.82 -1.21 -0.02 0.00 -1.95 0.00 0.00 55.36 53.00 1ll4 s GLN 406 Cb -0.46 -4.16 0.04 0.00 -0.22 0.00 0.00 33.01 28.21 1ll4 s GLN 406 CO 0.37 -1.24 0.03 0.50 -0.25 0.00 0.00 175.29 174.71 1ll4 s ARG 407 N 2.23 0.40 0.26 2.91 3.52 -1.26 -5.03 118.95 121.96 1ll4 s ARG 407 Ca 0.10 0.01 -0.30 0.00 -0.13 0.00 0.00 55.73 55.41 1ll4 s ARG 407 Cb -0.23 -1.28 -0.09 0.00 -1.56 0.00 0.00 34.95 31.79 1ll4 s ARG 407 CO 0.08 -0.44 0.97 -2.00 -0.81 0.00 0.00 175.30 173.10 1ll4 s GLU 408 N 2.01 4.79 1.07 5.12 2.12 -1.26 -4.55 118.70 128.01 1ll4 s GLU 408 Ca 0.03 1.53 -0.18 0.00 0.36 0.00 0.00 54.97 56.71 1ll4 s GLU 408 Cb -0.14 -3.22 0.25 0.00 0.26 0.00 0.00 34.13 31.29 1ll4 s GLU 408 CO -0.06 0.44 1.28 0.27 -0.54 0.00 0.00 175.26 176.65 1ll4 n ASN 409 N 1.35 -0.59 -4.36 -1.70 0.23 -0.45 -5.02 115.26 104.71 1ll4 n ASN 409 Ca -0.01 -1.39 -0.36 0.00 -0.53 0.00 0.00 54.58 52.29 1ll4 n ASN 409 Cb 0.47 -1.03 -0.13 0.00 -2.08 0.00 0.00 39.78 37.01 1ll4 n ASN 409 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1ll4 s GLU 410 N -5.82 3.42 -0.01 -3.83 2.56 -1.26 -4.94 118.70 108.82 1ll4 s GLU 410 Ca 0.75 -0.62 0.20 0.00 0.00 0.00 0.00 54.97 55.31 1ll4 s GLU 410 Cb -0.04 -3.16 -0.25 0.00 2.00 0.00 0.00 34.13 32.68 1ll4 s GLU 410 CO 0.54 -0.23 0.76 1.28 -0.56 0.00 0.00 175.26 177.04 1ll4 n LEU 411 N 4.85 0.70 -4.52 2.70 4.77 -1.26 -4.90 117.00 119.33 1ll4 n LEU 411 Ca -0.17 -0.36 -0.41 0.00 -0.03 0.00 0.00 56.01 55.03 1ll4 n LEU 411 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 1ll4 n LEU 411 CO 0.30 0.18 -0.03 -0.55 -1.33 0.00 0.00 177.39 175.95 1ll4 s SER 412 N -3.33 6.13 -0.70 -1.43 0.15 -1.26 -4.76 113.70 108.50 1ll4 s SER 412 Ca 0.04 -0.43 0.05 0.00 0.70 0.00 0.00 55.95 56.30 1ll4 s SER 412 Cb 0.15 -2.17 0.17 0.00 -1.71 0.00 0.00 66.02 62.46 1ll4 s SER 412 CO 0.85 -0.34 0.51 -1.22 1.20 0.00 0.00 173.24 174.24 1ll4 n TYR 413 N 5.28 3.25 0.09 3.44 4.02 -1.26 -4.97 117.16 127.01 1ll4 n TYR 413 Ca -0.10 -4.30 0.03 0.00 -0.01 0.00 0.00 57.90 53.52 1ll4 n TYR 413 Cb 0.49 -0.61 0.42 0.00 -0.02 0.00 0.00 39.34 39.62 1ll4 n TYR 413 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1ll4 h PRO 414 N 5.30 0.33 -0.50 -0.72 0.11 -1.89 -2.31 132.00 132.32 1ll4 h PRO 414 Ca 0.15 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1ll4 h PRO 414 Cb 0.75 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1ll4 h PRO 414 CO 0.72 0.34 0.00 0.39 -0.21 0.00 0.00 178.00 179.24 1ll4 n GLU 415 N -4.37 2.16 -2.08 1.05 1.02 -1.26 -4.96 120.64 112.20 1ll4 n GLU 415 Ca 0.00 -1.77 -0.40 0.00 -0.02 0.00 0.00 57.16 54.97 1ll4 n GLU 415 Cb 0.18 -1.39 -0.01 0.00 -0.02 0.00 0.00 31.44 30.19 1ll4 n GLU 415 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ll4 s SER 416 N -0.99 6.58 0.00 1.62 0.15 -0.87 -4.85 113.70 115.34 1ll4 s SER 416 Ca 0.33 2.68 0.31 0.00 0.70 0.00 0.00 55.95 59.97 1ll4 s SER 416 Cb 0.17 -2.65 1.66 0.00 -1.71 0.00 0.00 66.02 63.50 1ll4 s SER 416 CO 0.22 -0.67 2.11 0.55 1.20 0.00 0.00 173.24 176.65 1ll4 n VAL 417 N 0.52 0.00 -4.76 4.45 3.14 -1.26 -4.73 118.33 115.69 1ll4 n VAL 417 Ca 0.01 -0.01 -0.33 0.00 -2.96 0.00 0.00 64.34 61.06 1ll4 n VAL 417 Cb 0.42 -0.46 -0.14 0.00 -1.06 0.00 0.00 33.84 32.61 1ll4 n VAL 417 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 1ll4 s TYR 418 N -2.32 2.81 -0.11 1.45 1.51 -1.26 -4.83 117.35 114.60 1ll4 s TYR 418 Ca 0.37 -0.44 -0.28 0.00 -1.01 0.00 0.00 57.07 55.71 1ll4 s TYR 418 Cb 0.21 -1.79 -0.25 0.00 -0.11 0.00 0.00 41.96 40.02 1ll4 s TYR 418 CO 0.42 -0.05 0.90 -0.44 -1.11 0.00 0.00 175.55 175.27 1ll4 h ASP 419 N 6.25 0.00 -0.92 2.29 3.45 -0.97 0.13 116.42 126.65 1ll4 h ASP 419 Ca -0.33 -0.87 0.12 0.00 0.43 0.00 0.00 57.03 56.38 1ll4 h ASP 419 Cb 1.19 -0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 39.88 1ll4 h ASP 419 CO 0.55 0.87 0.55 -0.55 -1.57 0.00 0.00 179.24 179.08 1ll4 h ASN 420 N -0.87 0.77 -0.17 6.45 -1.07 -1.91 0.10 115.58 118.89 1ll4 h ASN 420 Ca -0.00 0.06 -0.15 0.00 0.07 0.00 0.00 56.30 56.28 1ll4 h ASN 420 Cb 0.87 -0.09 0.00 0.00 -2.07 0.00 0.00 38.32 37.04 1ll4 h ASN 420 CO 0.00 0.39 -0.47 0.25 0.07 0.00 0.00 177.43 177.68 1ll4 h LEU 421 N 0.85 0.70 -1.92 6.14 6.46 -1.89 0.27 115.31 125.93 1ll4 h LEU 421 Ca 0.47 -0.59 0.05 0.00 -0.12 0.00 0.00 57.88 57.69 1ll4 h LEU 421 Cb 0.51 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 1ll4 h LEU 421 CO -0.29 1.16 0.17 0.50 -0.62 0.00 0.00 178.44 179.36 1ll4 h LYS 422 N 0.27 0.10 -0.66 1.25 1.63 -0.20 0.58 116.57 119.55 1ll4 h LYS 422 Ca -0.01 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.74 1ll4 h LYS 422 Cb 1.09 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.67 1ll4 h LYS 422 CO 0.10 0.07 0.06 0.09 -3.45 0.00 0.00 179.45 176.32 1ll4 n ASN 423 N -4.49 5.16 -2.19 4.20 5.03 0.29 -4.69 115.26 118.57 1ll4 n ASN 423 Ca 0.02 -2.91 -0.19 0.00 0.87 0.00 0.00 54.58 52.38 1ll4 n ASN 423 Cb 0.24 -0.68 -0.00 0.00 -1.02 0.00 0.00 39.78 38.32 1ll4 n ASN 423 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ll4 n GLY 424 N 0.42 -0.38 3.44 7.41 0.00 0.20 -4.13 105.19 112.14 1ll4 n GLY 424 Ca 0.28 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1ll4 n GLY 424 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ll4 n MET 425 N -2.92 -1.79 0.00 1.61 0.00 0.94 -5.02 117.12 109.95 1ll4 n MET 425 Ca -0.20 1.40 0.00 0.00 0.00 0.00 0.00 57.70 58.91 1ll4 n MET 425 Cb 0.65 -2.14 0.00 0.00 0.00 0.00 0.00 33.22 31.74 1ll4 n MET 425 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 1ll4 n PRO 426 N -0.02 0.96 0.00 0.03 -0.02 -1.26 -5.09 135.00 129.60 1ll4 n PRO 426 Ca -0.07 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.50 1ll4 n PRO 426 Cb 0.65 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 34.20 1ll4 n PRO 426 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91