#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s97 s ILE 2 N 0.00 3.30 -0.14 1.12 1.01 -1.26 -4.25 121.20 120.98 1s97 s ILE 2 Ca 0.00 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.13 1s97 s ILE 2 Cb 0.00 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 1s97 s ILE 2 CO 0.00 0.44 -0.16 -0.69 0.00 0.00 0.00 174.94 174.54 1s97 s VAL 3 N 1.27 2.71 -0.31 2.92 1.01 -0.01 -1.54 120.40 126.45 1s97 s VAL 3 Ca 0.03 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 1s97 s VAL 3 Cb -0.14 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.14 1s97 s VAL 3 CO -0.02 0.52 0.06 -0.22 0.00 0.00 0.00 175.10 175.44 1s97 s LEU 4 N 0.64 4.02 -0.15 3.92 0.20 -0.22 -2.07 118.68 125.02 1s97 s LEU 4 Ca -0.08 -1.03 -0.10 0.00 0.69 0.00 0.00 54.13 53.61 1s97 s LEU 4 Cb -0.16 -1.82 -0.05 0.00 -0.43 0.00 0.00 46.19 43.73 1s97 s LEU 4 CO 0.03 -0.26 0.18 0.12 -0.29 0.00 0.00 176.35 176.12 1s97 s PHE 5 N 1.39 3.52 -0.06 5.38 5.36 0.12 -1.24 117.98 132.44 1s97 s PHE 5 Ca -0.01 0.50 0.04 0.00 -0.96 0.00 0.00 56.93 56.50 1s97 s PHE 5 Cb -0.19 -2.12 -0.02 0.00 -0.34 0.00 0.00 43.02 40.36 1s97 s PHE 5 CO 0.01 0.48 -0.16 0.08 -1.46 0.00 0.00 175.22 174.17 1s97 s VAL 6 N -0.27 2.87 -0.19 3.12 1.01 0.48 -0.52 120.40 126.89 1s97 s VAL 6 Ca 0.13 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 1s97 s VAL 6 Cb -0.12 -2.12 0.07 0.00 0.00 0.00 0.00 36.38 34.21 1s97 s VAL 6 CO 0.02 0.58 0.11 -0.62 0.00 0.00 0.00 175.10 175.19 1s97 s ASP 7 N -0.47 2.45 0.28 3.32 3.68 -0.48 -1.68 116.67 123.77 1s97 s ASP 7 Ca 0.06 -0.69 -0.30 0.00 2.13 0.00 0.00 52.55 53.75 1s97 s ASP 7 Cb -0.12 -0.20 -0.10 0.00 -1.45 0.00 0.00 42.92 41.05 1s97 s ASP 7 CO 0.02 -0.36 1.46 -0.36 0.13 0.00 0.00 175.17 176.05 1s97 s PHE 8 N 2.15 2.92 0.16 -5.34 0.08 -0.83 -1.42 117.98 115.70 1s97 s PHE 8 Ca 0.04 1.05 -0.30 0.00 0.12 0.00 0.00 56.93 57.84 1s97 s PHE 8 Cb -0.16 -3.87 -0.07 0.00 -0.57 0.00 0.00 43.02 38.34 1s97 s PHE 8 CO -0.14 -2.77 1.10 -0.51 -0.10 0.00 0.00 175.22 172.80 1s97 s ASP 9 N 0.20 7.26 -0.47 1.36 1.01 -0.96 -4.01 116.67 121.07 1s97 s ASP 9 Ca 0.58 2.06 -0.02 0.00 0.71 0.00 0.00 52.55 55.88 1s97 s ASP 9 Cb -0.43 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 40.92 1s97 s ASP 9 CO 0.48 -0.23 0.06 0.00 0.21 0.00 0.00 175.17 175.68 1s97 n TYR 10 N 2.53 -0.35 -0.22 4.23 0.18 -1.26 -4.48 117.16 117.80 1s97 n TYR 10 Ca 0.03 0.18 -0.06 0.00 1.88 0.00 0.00 57.90 59.93 1s97 n TYR 10 Cb 0.46 -0.70 -0.05 0.00 -0.38 0.00 0.00 39.34 38.67 1s97 n TYR 10 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1s97 n PHE 11 N -1.84 -0.23 -0.21 -3.48 7.35 -1.26 -0.68 117.46 117.12 1s97 n PHE 11 Ca -0.05 0.64 0.06 0.00 -0.76 0.00 0.00 57.45 57.34 1s97 n PHE 11 Cb 0.17 -0.50 0.32 0.00 0.35 0.00 0.00 39.48 39.83 1s97 n PHE 11 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 1s97 h TYR 12 N 0.00 0.84 -0.02 -5.13 0.05 -1.93 -0.09 116.97 110.68 1s97 h TYR 12 Ca 0.08 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 1s97 h TYR 12 Cb 0.21 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.67 1s97 h TYR 12 CO -0.67 0.44 -0.03 0.00 -1.05 0.00 0.00 178.16 176.85 1s97 h ALA 13 N 1.58 0.03 -0.99 3.88 0.00 -1.15 -3.05 119.26 119.56 1s97 h ALA 13 Ca 0.33 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1s97 h ALA 13 Cb 0.24 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1s97 h ALA 13 CO -0.11 -0.18 0.64 0.37 0.00 0.00 0.00 179.25 179.97 1s97 h GLN 14 N -0.44 1.13 -0.18 0.00 4.15 -0.43 -1.78 115.11 117.56 1s97 h GLN 14 Ca 0.00 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.39 1s97 h GLN 14 Cb 0.56 -0.26 -0.03 0.00 0.21 0.00 0.00 27.48 27.97 1s97 h GLN 14 CO 0.01 0.75 -0.01 0.28 -1.93 0.00 0.00 178.83 177.93 1s97 h VAL 15 N 1.17 0.87 -0.74 2.39 2.07 -1.05 -0.01 116.25 120.94 1s97 h VAL 15 Ca 0.43 -0.02 0.11 0.00 0.82 0.00 0.00 66.70 68.04 1s97 h VAL 15 Cb 0.17 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1s97 h VAL 15 CO -0.17 0.01 0.49 -0.33 0.02 0.00 0.00 177.57 177.59 1s97 h GLU 16 N 0.05 0.55 -0.55 1.57 4.39 -1.24 -0.21 114.58 119.15 1s97 h GLU 16 Ca 0.09 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.64 1s97 h GLU 16 Cb 0.11 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1s97 h GLU 16 CO -0.15 0.37 -0.09 0.93 -1.16 0.00 0.00 179.01 178.91 1s97 h GLU 17 N 0.57 1.02 -0.14 2.33 5.08 -0.34 -1.31 114.58 121.79 1s97 h GLU 17 Ca 0.35 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1s97 h GLU 17 Cb 0.58 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1s97 h GLU 17 CO -0.12 1.06 0.05 0.28 -1.00 0.00 0.00 179.01 179.28 1s97 h VAL 18 N 0.90 1.16 0.00 3.13 2.07 0.63 -2.18 116.25 121.96 1s97 h VAL 18 Ca 0.14 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1s97 h VAL 18 Cb 0.65 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1s97 h VAL 18 CO 0.05 0.15 0.00 0.18 0.02 0.00 0.00 177.57 177.97 1s97 n LEU 19 N -4.87 0.50 -3.24 2.57 4.77 -0.49 -4.16 117.00 112.08 1s97 n LEU 19 Ca -0.05 0.62 -0.14 0.00 -0.03 0.00 0.00 56.01 56.40 1s97 n LEU 19 Cb 0.13 -0.54 -0.06 0.00 -2.33 0.00 0.00 43.42 40.62 1s97 n LEU 19 CO 0.35 -0.45 -0.11 0.21 -1.33 0.00 0.00 177.39 176.06 1s97 s ASN 20 N -3.93 0.41 0.57 -1.43 3.84 -0.50 -5.02 114.94 108.87 1s97 s ASN 20 Ca 0.06 -1.79 0.31 0.00 0.21 0.00 0.00 52.86 51.64 1s97 s ASN 20 Cb 0.10 0.79 1.45 0.00 -0.55 0.00 0.00 41.25 43.04 1s97 s ASN 20 CO 0.38 -0.19 1.83 -0.65 -2.79 0.00 0.00 177.10 175.68 1s97 h PRO 21 N 6.41 0.00 0.00 0.43 0.11 -1.57 -1.68 132.00 135.70 1s97 h PRO 21 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1s97 h PRO 21 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1s97 h PRO 21 CO 0.18 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 178.74 1s97 h SER 22 N 0.00 0.00 1.54 -2.05 0.02 -1.95 -1.17 113.55 109.95 1s97 h SER 22 Ca 0.36 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.26 1s97 h SER 22 Cb 1.65 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.19 1s97 h SER 22 CO -0.00 0.00 -0.22 -0.07 -1.14 0.00 0.00 176.83 175.40 1s97 h LEU 23 N 0.00 0.00 -9.32 5.07 3.38 -1.60 -3.45 115.31 109.38 1s97 h LEU 23 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 1s97 h LEU 23 Cb 0.06 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.87 1s97 h LEU 23 CO 0.00 0.22 0.50 1.17 0.09 0.00 0.00 178.44 180.42 1s97 n LYS 24 N -3.19 1.35 0.00 1.13 4.81 -0.44 -1.55 118.16 120.26 1s97 n LYS 24 Ca 0.02 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 1s97 n LYS 24 Cb 0.56 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 33.47 1s97 n LYS 24 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1s97 n GLY 25 N 2.63 2.62 3.90 3.14 0.00 -1.26 -5.02 105.19 111.20 1s97 n GLY 25 Ca 0.18 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1s97 n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s97 s LYS 26 N 0.00 3.65 0.20 1.61 1.02 -0.59 -4.92 119.74 120.69 1s97 s LYS 26 Ca 0.00 0.06 -0.30 0.00 0.02 0.00 0.00 55.97 55.75 1s97 s LYS 26 Cb 0.00 -2.61 -0.09 0.00 -0.52 0.00 0.00 37.83 34.61 1s97 s LYS 26 CO 0.00 0.17 1.33 -1.25 -0.92 0.00 0.00 175.35 174.68 1s97 s PRO 27 N -3.62 4.37 -0.10 -1.68 0.04 -1.26 -4.85 135.00 127.90 1s97 s PRO 27 Ca 0.45 2.08 0.03 0.00 0.04 0.00 0.00 61.00 63.60 1s97 s PRO 27 Cb -0.11 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 1s97 s PRO 27 CO 0.30 -0.28 -0.21 0.08 0.04 0.00 0.00 177.00 176.93 1s97 s VAL 28 N 0.18 2.38 -0.29 -0.36 1.01 -1.26 -2.29 120.40 119.77 1s97 s VAL 28 Ca 0.57 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1s97 s VAL 28 Cb -0.37 -1.93 0.08 0.00 0.00 0.00 0.00 36.38 34.16 1s97 s VAL 28 CO 0.38 0.55 0.01 -0.69 0.00 0.00 0.00 175.10 175.36 1s97 s VAL 29 N 0.22 1.67 -0.22 2.92 1.01 -0.20 -1.43 120.40 124.37 1s97 s VAL 29 Ca -0.13 -1.67 -0.25 0.00 0.00 0.00 0.00 61.98 59.93 1s97 s VAL 29 Cb -0.16 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1s97 s VAL 29 CO 0.07 -0.40 0.83 -0.69 0.00 0.00 0.00 175.10 174.91 1s97 s VAL 30 N 1.26 4.85 0.44 2.92 1.01 0.69 -1.29 120.40 130.29 1s97 s VAL 30 Ca 0.03 1.59 0.04 0.00 0.00 0.00 0.00 61.98 63.63 1s97 s VAL 30 Cb -0.19 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1s97 s VAL 30 CO -0.11 -0.04 0.03 0.00 0.00 0.00 0.00 175.10 174.98 1s97 s VAL 32 N -2.92 1.75 -0.34 0.00 1.01 0.76 -0.65 120.40 120.00 1s97 s VAL 32 Ca 0.21 -2.14 -0.29 0.00 0.00 0.00 0.00 61.98 59.76 1s97 s VAL 32 Cb 0.05 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1s97 s VAL 32 CO 0.11 -0.67 1.33 -0.36 0.00 0.00 0.00 175.10 175.51 1s97 s PHE 33 N 0.98 2.60 -0.99 5.22 0.08 -1.26 -2.07 117.98 122.53 1s97 s PHE 33 Ca 0.12 0.80 0.26 0.00 0.12 0.00 0.00 56.93 58.22 1s97 s PHE 33 Cb -0.20 -4.06 1.10 0.00 -0.57 0.00 0.00 43.02 39.30 1s97 s PHE 33 CO -0.12 -1.79 1.83 -1.13 -0.10 0.00 0.00 175.22 173.91 1s97 n SER 34 N 8.02 0.04 -1.89 1.36 3.41 -0.72 -4.93 113.62 118.90 1s97 n SER 34 Ca 0.15 0.50 -0.21 0.00 -0.26 0.00 0.00 58.87 59.06 1s97 n SER 34 Cb 0.47 -0.51 -0.06 0.00 -0.26 0.00 0.00 64.21 63.85 1s97 n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s97 n GLY 35 N 1.19 0.99 0.12 5.00 0.00 -1.26 -4.64 105.19 106.59 1s97 n GLY 35 Ca 0.06 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.18 1s97 n GLY 35 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1s97 h ARG 36 N 0.00 0.00 0.00 1.61 3.08 -1.86 -3.45 114.38 113.76 1s97 h ARG 36 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1s97 h ARG 36 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.40 1s97 h ARG 36 CO 0.60 0.00 0.00 1.97 -1.07 0.00 0.00 179.97 181.47 1s97 n PHE 37 N -2.54 0.00 -1.37 3.04 1.16 -1.26 -4.97 117.46 111.52 1s97 n PHE 37 Ca 0.02 0.00 -0.58 0.00 -1.87 0.00 0.00 57.45 55.03 1s97 n PHE 37 Cb 0.50 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.27 1s97 n PHE 37 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 1s97 n GLU 38 N -0.07 0.39 -1.95 3.97 -0.58 -1.26 -0.83 120.64 120.31 1s97 n GLU 38 Ca 0.00 0.11 -0.20 0.00 -0.42 0.00 0.00 57.16 56.65 1s97 n GLU 38 Cb 0.00 -1.82 -0.05 0.00 -0.57 0.00 0.00 31.44 29.00 1s97 n GLU 38 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1s97 n ASP 39 N 7.78 -5.58 -4.76 1.62 8.00 -1.26 -4.94 116.55 117.42 1s97 n ASP 39 Ca 0.47 0.28 -0.34 0.00 0.71 0.00 0.00 54.79 55.92 1s97 n ASP 39 Cb 0.05 -4.80 0.05 0.00 -0.02 0.00 0.00 41.12 36.40 1s97 n ASP 39 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1s97 s SER 40 N -2.43 4.97 0.00 -2.24 1.04 -0.01 -4.01 113.70 111.02 1s97 s SER 40 Ca 0.00 2.11 0.00 0.00 0.48 0.00 0.00 55.95 58.54 1s97 s SER 40 Cb 0.00 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1s97 s SER 40 CO 0.00 -1.73 0.00 0.61 0.98 0.00 0.00 173.24 173.10 1s97 n GLY 41 N -0.21 0.34 3.15 7.32 0.00 -1.26 -1.76 105.19 112.77 1s97 n GLY 41 Ca 0.11 -2.25 -0.10 0.00 0.00 0.00 0.00 46.02 43.79 1s97 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s97 s ALA 42 N -1.85 0.88 0.16 4.61 0.00 -0.88 -2.27 121.76 122.41 1s97 s ALA 42 Ca 0.00 -1.33 -0.30 0.00 0.00 0.00 0.00 51.96 50.33 1s97 s ALA 42 Cb 0.00 0.23 -0.07 0.00 0.00 0.00 0.00 23.12 23.28 1s97 s ALA 42 CO 0.00 -0.28 1.04 0.08 0.00 0.00 0.00 175.76 176.60 1s97 s VAL 43 N -3.71 4.11 -0.18 0.00 1.01 -0.33 -0.17 120.40 121.13 1s97 s VAL 43 Ca 0.12 1.81 0.13 0.00 0.00 0.00 0.00 61.98 64.04 1s97 s VAL 43 Cb 0.06 -4.16 -0.20 0.00 0.00 0.00 0.00 36.38 32.08 1s97 s VAL 43 CO -0.05 0.31 0.02 0.00 0.00 0.00 0.00 175.10 175.37 1s97 n ALA 44 N 2.48 1.56 -3.64 5.51 0.00 0.10 -1.31 120.51 125.22 1s97 n ALA 44 Ca 0.02 -1.11 -0.04 0.00 0.00 0.00 0.00 53.44 52.31 1s97 n ALA 44 Cb 0.47 -0.10 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 1s97 n ALA 44 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1s97 s THR 45 N -2.42 0.00 0.09 0.00 2.01 -0.96 -4.58 115.64 109.77 1s97 s THR 45 Ca -0.12 0.00 0.06 0.00 0.31 0.00 0.00 61.69 61.94 1s97 s THR 45 Cb 0.06 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 1s97 s THR 45 CO 0.68 0.00 -0.16 0.00 -0.69 0.00 0.00 174.62 174.45 1s97 s ALA 46 N 0.75 1.41 1.10 7.40 0.00 -1.26 -0.22 121.76 130.94 1s97 s ALA 46 Ca -0.03 -1.13 -0.16 0.00 0.00 0.00 0.00 51.96 50.65 1s97 s ALA 46 Cb -0.04 -0.13 0.23 0.00 0.00 0.00 0.00 23.12 23.18 1s97 s ALA 46 CO -0.12 0.21 1.09 0.27 0.00 0.00 0.00 175.76 177.21 1s97 n ASN 47 N 1.08 -0.87 -0.13 0.00 2.04 -0.51 -4.71 115.26 112.16 1s97 n ASN 47 Ca -0.20 -1.27 -0.07 0.00 -0.44 0.00 0.00 54.58 52.60 1s97 n ASN 47 Cb 0.54 -0.90 0.10 0.00 -2.53 0.00 0.00 39.78 37.00 1s97 n ASN 47 CO 0.00 0.00 0.00 1.88 -0.44 0.00 0.00 177.26 178.70 1s97 h TYR 48 N -2.11 0.94 -0.07 -2.53 -1.99 -1.96 -0.50 116.97 108.75 1s97 h TYR 48 Ca -0.37 -0.17 0.02 0.00 2.00 0.00 0.00 58.73 60.21 1s97 h TYR 48 Cb 1.08 -0.24 -0.00 0.00 2.00 0.00 0.00 36.73 39.57 1s97 h TYR 48 CO 0.00 0.89 0.14 0.93 -0.00 0.00 0.00 178.16 180.12 1s97 h GLU 49 N 0.77 0.00 0.07 4.88 3.07 -1.91 -1.51 114.58 119.95 1s97 h GLU 49 Ca 0.13 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.62 1s97 h GLU 49 Cb 0.58 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.46 1s97 h GLU 49 CO 0.04 0.00 -2.17 0.00 -1.40 0.00 0.00 179.01 175.47 1s97 n ALA 50 N -2.17 1.09 0.26 3.43 0.00 -0.78 -4.25 120.51 118.09 1s97 n ALA 50 Ca -0.01 -0.79 0.11 0.00 0.00 0.00 0.00 53.44 52.75 1s97 n ALA 50 Cb 0.23 -0.45 0.69 0.00 0.00 0.00 0.00 19.45 19.93 1s97 n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s97 h ARG 51 N 0.00 0.00 -0.24 0.00 3.08 -0.54 -1.97 114.38 114.71 1s97 h ARG 51 Ca -0.49 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.62 1s97 h ARG 51 Cb 1.96 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.00 1s97 h ARG 51 CO 0.01 0.10 0.17 0.87 -1.07 0.00 0.00 179.97 180.05 1s97 h LYS 52 N 0.00 0.04 -0.57 0.04 1.57 -1.47 -1.27 116.57 114.90 1s97 h LYS 52 Ca -0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s97 h LYS 52 Cb 0.23 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1s97 h LYS 52 CO 0.01 0.03 0.00 1.19 -0.57 0.00 0.00 179.45 180.11 1s97 n PHE 53 N -4.48 0.91 -0.20 -1.35 3.72 -0.78 -4.96 117.46 110.33 1s97 n PHE 53 Ca 0.02 -0.54 0.00 0.00 -0.05 0.00 0.00 57.45 56.88 1s97 n PHE 53 Cb 0.29 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 1s97 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s97 n GLY 54 N 1.08 0.70 3.58 1.37 0.00 -0.48 -5.00 105.19 106.43 1s97 n GLY 54 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1s97 n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s97 s VAL 55 N -2.47 3.94 0.18 1.61 1.01 -0.96 -4.96 120.40 118.74 1s97 s VAL 55 Ca 0.00 0.82 -0.01 0.00 0.00 0.00 0.00 61.98 62.79 1s97 s VAL 55 Cb 0.00 -4.66 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 1s97 s VAL 55 CO 0.00 -1.33 0.10 -1.59 0.00 0.00 0.00 175.10 172.28 1s97 s LYS 56 N 5.15 1.12 0.28 2.72 -2.85 -1.26 -3.27 119.74 121.62 1s97 s LYS 56 Ca 0.45 -1.57 -0.30 0.00 -1.00 0.00 0.00 55.97 53.55 1s97 s LYS 56 Cb -0.08 0.22 -0.13 0.00 -2.06 0.00 0.00 37.83 35.78 1s97 s LYS 56 CO 0.25 -0.34 1.35 0.00 0.10 0.00 0.00 175.35 176.71 1s97 n ALA 57 N -0.22 1.15 0.00 0.59 0.00 -1.26 -2.86 120.51 117.91 1s97 n ALA 57 Ca -0.01 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1s97 n ALA 57 Cb 0.65 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1s97 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s97 n GLY 58 N 1.64 2.40 3.85 0.00 0.00 -0.42 -4.99 105.19 107.67 1s97 n GLY 58 Ca 0.09 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 1s97 n GLY 58 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1s97 s ILE 59 N -1.33 4.62 0.51 -0.61 -4.36 -1.13 -4.72 121.20 114.18 1s97 s ILE 59 Ca 0.00 1.02 -0.23 0.00 -0.26 0.00 0.00 60.65 61.18 1s97 s ILE 59 Cb 0.00 -3.75 -0.06 0.00 1.25 0.00 0.00 42.46 39.90 1s97 s ILE 59 CO 0.00 -0.75 1.34 -2.84 0.24 0.00 0.00 174.94 172.93 1s97 s PRO 60 N -4.25 3.35 0.34 0.37 0.02 -1.26 -1.19 135.00 132.37 1s97 s PRO 60 Ca 0.56 2.19 0.02 0.00 0.02 0.00 0.00 61.00 63.80 1s97 s PRO 60 Cb -0.10 -2.36 0.60 0.00 0.02 0.00 0.00 34.50 32.65 1s97 s PRO 60 CO 0.36 -1.01 1.94 0.82 -0.33 0.00 0.00 177.00 178.78 1s97 h ILE 61 N 1.68 1.18 0.00 2.83 2.04 -1.65 -1.83 117.51 121.76 1s97 h ILE 61 Ca -0.51 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 64.79 1s97 h ILE 61 Cb 1.28 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1s97 h ILE 61 CO 0.58 0.21 -0.24 -0.37 0.00 0.00 0.00 178.15 178.33 1s97 h VAL 62 N 0.74 1.17 0.09 1.67 -1.51 -1.85 -1.34 116.25 115.22 1s97 h VAL 62 Ca 0.18 -0.84 -0.29 0.00 -1.23 0.00 0.00 66.70 64.52 1s97 h VAL 62 Cb 0.09 1.45 0.03 0.00 -2.13 0.00 0.00 31.29 30.73 1s97 h VAL 62 CO -0.02 0.24 -1.20 -0.33 -1.23 0.00 0.00 177.57 175.03 1s97 h GLU 63 N 0.00 0.63 -0.81 5.19 4.39 -1.72 -2.92 114.58 119.33 1s97 h GLU 63 Ca -0.00 -0.80 0.02 0.00 0.34 0.00 0.00 59.36 58.92 1s97 h GLU 63 Cb 0.43 0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 29.30 1s97 h GLU 63 CO 0.03 1.36 0.53 0.00 -1.16 0.00 0.00 179.01 179.77 1s97 h ALA 64 N 0.34 1.05 -0.03 3.43 0.00 -0.98 -1.87 119.26 121.20 1s97 h ALA 64 Ca -0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1s97 h ALA 64 Cb 1.86 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1s97 h ALA 64 CO 0.23 0.41 -0.12 0.87 0.00 0.00 0.00 179.25 180.64 1s97 h LYS 65 N 1.07 0.05 -0.11 0.00 1.57 -1.26 0.17 116.57 118.06 1s97 h LYS 65 Ca 0.31 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.93 1s97 h LYS 65 Cb -0.08 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1s97 h LYS 65 CO -0.08 0.17 -0.58 0.87 -0.57 0.00 0.00 179.45 179.26 1s97 h LYS 66 N 0.05 0.35 0.00 3.15 1.57 -1.15 -1.55 116.57 118.99 1s97 h LYS 66 Ca 0.01 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1s97 h LYS 66 Cb 0.24 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1s97 h LYS 66 CO 0.02 0.83 -0.00 0.82 -0.57 0.00 0.00 179.45 180.55 1s97 h ILE 67 N 0.26 1.68 -2.35 1.86 2.04 -0.98 -3.41 117.51 116.62 1s97 h ILE 67 Ca -0.00 -2.13 -0.59 0.00 1.00 0.00 0.00 64.86 63.13 1s97 h ILE 67 Cb 1.10 3.11 -0.40 0.00 -0.74 0.00 0.00 36.82 39.88 1s97 h ILE 67 CO 0.10 0.55 -0.80 0.18 0.00 0.00 0.00 178.15 178.17 1s97 n LEU 68 N -4.65 1.89 0.32 1.44 4.77 0.51 -4.95 117.00 116.33 1s97 n LEU 68 Ca -0.09 -5.01 0.20 0.00 -0.03 0.00 0.00 56.01 51.08 1s97 n LEU 68 Cb 0.43 -0.11 1.07 0.00 -2.33 0.00 0.00 43.42 42.48 1s97 n LEU 68 CO 0.33 1.97 1.17 1.55 -1.33 0.00 0.00 177.39 181.07 1s97 h PRO 69 N 4.61 0.00 -0.38 3.23 0.13 -1.48 -1.78 132.00 136.33 1s97 h PRO 69 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1s97 h PRO 69 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1s97 h PRO 69 CO 0.63 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.49 1s97 n ASN 70 N -3.18 4.02 -4.82 1.44 3.02 -1.26 -4.98 115.26 109.50 1s97 n ASN 70 Ca -0.02 -2.68 -0.30 0.00 -0.03 0.00 0.00 54.58 51.55 1s97 n ASN 70 Cb 0.17 -0.49 0.08 0.00 -0.61 0.00 0.00 39.78 38.92 1s97 n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s97 s ALA 71 N -2.24 2.39 -0.25 5.41 0.00 -0.67 -4.96 121.76 121.45 1s97 s ALA 71 Ca 0.41 -0.17 -0.20 0.00 0.00 0.00 0.00 51.96 51.99 1s97 s ALA 71 Cb 0.30 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.29 1s97 s ALA 71 CO 0.14 -1.57 0.63 0.08 0.00 0.00 0.00 175.76 175.04 1s97 s VAL 72 N -3.16 4.99 -0.26 0.00 1.01 -0.97 -4.99 120.40 117.02 1s97 s VAL 72 Ca 0.60 1.14 -0.08 0.00 0.00 0.00 0.00 61.98 63.65 1s97 s VAL 72 Cb -0.14 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1s97 s VAL 72 CO 0.54 0.04 0.09 -0.31 0.00 0.00 0.00 175.10 175.46 1s97 s TYR 73 N 2.43 3.11 0.03 5.22 2.02 -1.26 -1.03 117.35 127.87 1s97 s TYR 73 Ca 0.27 -0.38 0.09 0.00 -0.37 0.00 0.00 57.07 56.67 1s97 s TYR 73 Cb -0.16 -2.27 -0.03 0.00 -0.40 0.00 0.00 41.96 39.11 1s97 s TYR 73 CO 0.09 -0.35 -0.25 -0.51 -1.57 0.00 0.00 175.55 172.96 1s97 s LEU 74 N 1.63 2.15 0.52 -1.29 1.43 -0.41 -5.00 118.68 117.71 1s97 s LEU 74 Ca 0.06 -0.55 -0.18 0.00 -1.03 0.00 0.00 54.13 52.43 1s97 s LEU 74 Cb -0.15 -1.21 -0.07 0.00 0.03 0.00 0.00 46.19 44.78 1s97 s LEU 74 CO 0.05 0.24 1.01 -2.16 0.23 0.00 0.00 176.35 175.72 1s97 s PRO 75 N -1.11 3.78 0.37 1.29 0.04 -1.26 0.46 135.00 138.56 1s97 s PRO 75 Ca 0.10 1.16 -0.28 0.00 0.04 0.00 0.00 61.00 62.02 1s97 s PRO 75 Cb -0.10 -2.10 -0.11 0.00 0.04 0.00 0.00 34.50 32.23 1s97 s PRO 75 CO 0.01 -0.43 1.46 -1.33 0.04 0.00 0.00 177.00 176.76 1s97 n MET 76 N -1.40 2.59 -3.16 4.56 2.81 0.17 -4.72 117.12 117.96 1s97 n MET 76 Ca 0.08 0.91 -0.21 0.00 -1.81 0.00 0.00 57.70 56.67 1s97 n MET 76 Cb 0.53 -2.62 -0.04 0.00 -0.71 0.00 0.00 33.22 30.38 1s97 n MET 76 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1s97 n ARG 77 N 0.43 1.35 -0.30 0.03 1.74 -1.26 -4.99 116.66 113.66 1s97 n ARG 77 Ca 0.02 -3.65 0.11 0.00 -0.77 0.00 0.00 57.85 53.57 1s97 n ARG 77 Cb 0.39 -1.72 0.28 0.00 -1.02 0.00 0.00 32.46 30.39 1s97 n ARG 77 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1s97 h LYS 78 N 3.27 0.40 -0.53 5.56 1.63 -1.99 -2.02 116.57 122.90 1s97 h LYS 78 Ca 0.10 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.90 1s97 h LYS 78 Cb 0.86 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 32.37 1s97 h LYS 78 CO 0.56 0.27 0.33 0.93 -3.45 0.00 0.00 179.45 178.08 1s97 h GLU 79 N 0.41 0.64 -0.64 1.90 3.07 -1.99 0.13 114.58 118.09 1s97 h GLU 79 Ca 0.53 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 59.36 1s97 h GLU 79 Cb 0.96 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.69 1s97 h GLU 79 CO -0.50 0.42 0.42 0.28 -1.40 0.00 0.00 179.01 178.23 1s97 h VAL 80 N 0.66 1.14 -0.60 3.13 2.07 -1.82 -2.01 116.25 118.83 1s97 h VAL 80 Ca 0.20 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1s97 h VAL 80 Cb -0.02 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 1s97 h VAL 80 CO -0.07 0.15 0.15 1.88 0.02 0.00 0.00 177.57 179.71 1s97 h TYR 81 N 0.85 0.95 -0.59 1.57 0.05 -0.98 -2.61 116.97 116.21 1s97 h TYR 81 Ca 0.24 -0.09 -0.05 0.00 0.05 0.00 0.00 58.73 58.89 1s97 h TYR 81 Cb -0.07 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.37 1s97 h TYR 81 CO -0.03 0.78 0.19 1.96 -1.05 0.00 0.00 178.16 180.00 1s97 h GLN 82 N 0.88 0.91 -0.46 4.88 1.08 -0.10 -0.50 115.11 121.81 1s97 h GLN 82 Ca 0.19 -0.19 -0.07 0.00 -1.45 0.00 0.00 58.65 57.14 1s97 h GLN 82 Cb 0.30 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1s97 h GLN 82 CO -0.00 0.81 0.03 1.96 -0.95 0.00 0.00 178.83 180.68 1s97 h GLN 83 N 0.83 0.79 -0.36 1.46 4.20 -1.19 0.19 115.11 121.03 1s97 h GLN 83 Ca 0.19 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1s97 h GLN 83 Cb 0.28 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1s97 h GLN 83 CO -0.01 0.83 0.19 0.28 -0.67 0.00 0.00 178.83 179.45 1s97 h VAL 84 N 0.64 1.15 -0.66 -0.54 2.07 -1.41 -2.10 116.25 115.41 1s97 h VAL 84 Ca 0.13 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.27 1s97 h VAL 84 Cb 0.45 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1s97 h VAL 84 CO 0.02 0.16 0.42 -1.28 0.02 0.00 0.00 177.57 176.90 1s97 h SER 85 N 0.45 0.69 -0.37 0.57 0.87 -0.74 -2.08 113.55 112.94 1s97 h SER 85 Ca 0.12 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.65 1s97 h SER 85 Cb 0.08 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 1s97 h SER 85 CO -0.02 0.49 0.15 0.28 -0.53 0.00 0.00 176.83 177.20 1s97 h SER 86 N 0.83 0.57 -0.03 6.23 0.02 -0.36 -0.23 113.55 120.58 1s97 h SER 86 Ca 0.26 -0.07 -0.15 0.00 -0.84 0.00 0.00 61.79 60.99 1s97 h SER 86 Cb -0.02 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1s97 h SER 86 CO -0.09 0.54 -0.49 0.03 -1.14 0.00 0.00 176.83 175.68 1s97 h ARG 87 N 0.62 0.59 -0.26 3.45 3.08 -0.89 -2.40 114.38 118.56 1s97 h ARG 87 Ca 0.15 -0.34 -0.15 0.00 0.07 0.00 0.00 59.98 59.71 1s97 h ARG 87 Cb 0.17 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1s97 h ARG 87 CO -0.01 0.95 -0.40 0.82 -1.07 0.00 0.00 179.97 180.25 1s97 h ILE 88 N 0.46 1.30 -0.77 2.04 2.04 -0.82 -2.49 117.51 119.29 1s97 h ILE 88 Ca 0.02 -1.60 0.08 0.00 1.00 0.00 0.00 64.86 64.36 1s97 h ILE 88 Cb 1.02 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 38.74 1s97 h ILE 88 CO 0.10 0.51 0.50 0.24 0.00 0.00 0.00 178.15 179.50 1s97 h MET 89 N 0.47 0.75 -0.18 2.37 2.86 -1.01 0.46 114.93 120.64 1s97 h MET 89 Ca 0.02 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 1s97 h MET 89 Cb 1.00 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 1s97 h MET 89 CO 0.09 0.49 -0.34 -0.91 1.06 0.00 0.00 176.91 177.31 1s97 h ASN 90 N 0.77 0.38 -0.27 1.22 2.35 -1.13 -0.83 115.58 118.05 1s97 h ASN 90 Ca 0.34 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1s97 h ASN 90 Cb 0.32 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1s97 h ASN 90 CO -0.12 0.70 0.08 -0.07 -1.65 0.00 0.00 177.43 176.37 1s97 h LEU 91 N 0.31 0.40 -0.78 1.61 3.38 -0.54 -2.95 115.31 116.74 1s97 h LEU 91 Ca 0.04 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.86 1s97 h LEU 91 Cb 0.75 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 1s97 h LEU 91 CO 0.06 0.50 0.47 -0.07 0.09 0.00 0.00 178.44 179.49 1s97 h LEU 92 N 0.28 0.73 -1.22 1.67 3.38 -0.56 -2.09 115.31 117.49 1s97 h LEU 92 Ca 0.09 0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.27 1s97 h LEU 92 Cb 0.25 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 40.78 1s97 h LEU 92 CO -0.00 0.47 0.61 0.03 0.09 0.00 0.00 178.44 179.64 1s97 h ARG 93 N 0.86 0.60 0.00 1.13 3.08 -0.99 -0.10 114.38 118.97 1s97 h ARG 93 Ca 0.34 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1s97 h ARG 93 Cb 0.17 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1s97 h ARG 93 CO -0.17 0.40 0.02 0.39 -1.07 0.00 0.00 179.97 179.54 1s97 n GLU 94 N -4.65 0.00 -0.00 0.04 1.02 -0.79 -2.06 120.64 114.20 1s97 n GLU 94 Ca 0.22 0.43 0.08 0.00 -0.02 0.00 0.00 57.16 57.87 1s97 n GLU 94 Cb 0.63 -1.52 -0.11 0.00 -0.02 0.00 0.00 31.44 30.42 1s97 n GLU 94 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1s97 n TYR 95 N -1.43 0.00 -3.64 -0.32 4.01 -0.05 -5.00 117.16 110.73 1s97 n TYR 95 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 1s97 n TYR 95 Cb 0.02 -0.12 -0.07 0.00 -0.31 0.00 0.00 39.34 38.86 1s97 n TYR 95 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1s97 s SER 96 N -3.06 -0.45 0.18 7.72 0.15 -0.87 -4.99 113.70 112.38 1s97 s SER 96 Ca 0.03 0.77 -0.09 0.00 0.70 0.00 0.00 55.95 57.36 1s97 s SER 96 Cb 0.13 1.01 0.08 0.00 -1.71 0.00 0.00 66.02 65.52 1s97 s SER 96 CO 0.72 -0.13 1.65 1.05 1.20 0.00 0.00 173.24 177.74 1s97 h GLU 97 N 5.15 1.10 -5.59 5.44 9.09 -1.89 -3.37 114.58 124.50 1s97 h GLU 97 Ca -0.28 -0.34 -0.63 0.00 0.05 0.00 0.00 59.36 58.16 1s97 h GLU 97 Cb 1.19 -0.11 -0.14 0.00 -1.65 0.00 0.00 28.75 28.04 1s97 h GLU 97 CO 0.16 1.05 0.92 0.15 0.05 0.00 0.00 179.01 181.34 1s97 s LYS 98 N -5.07 3.38 -0.07 1.06 1.02 -1.26 -4.97 119.74 113.83 1s97 s LYS 98 Ca -0.12 -1.11 0.01 0.00 0.02 0.00 0.00 55.97 54.78 1s97 s LYS 98 Cb 0.14 -4.69 0.02 0.00 -0.52 0.00 0.00 37.83 32.77 1s97 s LYS 98 CO 0.86 -1.94 -0.09 -1.50 -0.92 0.00 0.00 175.35 171.76 1s97 s ILE 99 N 4.07 0.94 -0.29 2.17 2.07 -1.26 -1.83 121.20 127.06 1s97 s ILE 99 Ca 0.33 -0.33 -0.05 0.00 -1.41 0.00 0.00 60.65 59.19 1s97 s ILE 99 Cb -0.08 -0.91 0.02 0.00 0.13 0.00 0.00 42.46 41.62 1s97 s ILE 99 CO 0.00 0.32 0.04 -0.70 -1.91 0.00 0.00 174.94 172.70 1s97 s GLU 100 N 1.01 2.87 -0.48 3.50 2.12 0.80 -4.31 118.70 124.20 1s97 s GLU 100 Ca -0.09 -0.99 -0.23 0.00 0.36 0.00 0.00 54.97 54.02 1s97 s GLU 100 Cb -0.15 -3.28 0.03 0.00 0.26 0.00 0.00 34.13 31.00 1s97 s GLU 100 CO -0.00 -0.50 0.84 0.42 -0.54 0.00 0.00 175.26 175.48 1s97 s ILE 101 N 1.41 4.57 -0.12 -3.70 1.01 -1.26 -0.54 121.20 122.57 1s97 s ILE 101 Ca 0.00 0.37 0.15 0.00 0.00 0.00 0.00 60.65 61.17 1s97 s ILE 101 Cb -0.18 -4.40 -0.05 0.00 0.01 0.00 0.00 42.46 37.85 1s97 s ILE 101 CO 0.01 -0.85 1.14 0.00 0.00 0.00 0.00 174.94 175.24 1s97 h ALA 102 N 9.09 0.64 -2.00 9.38 0.00 -1.81 -3.43 119.26 131.13 1s97 h ALA 102 Ca -0.25 -0.67 0.06 0.00 0.00 0.00 0.00 54.91 54.04 1s97 h ALA 102 Cb 1.08 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1s97 h ALA 102 CO 1.01 0.81 0.23 -1.13 0.00 0.00 0.00 179.25 180.17 1s97 n SER 103 N -3.08 -0.72 0.31 0.00 3.41 -1.17 -4.95 113.62 107.42 1s97 n SER 103 Ca -0.04 -1.39 0.19 0.00 -0.26 0.00 0.00 58.87 57.37 1s97 n SER 103 Cb 0.80 1.18 1.03 0.00 -0.26 0.00 0.00 64.21 66.95 1s97 n SER 103 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1s97 h ILE 104 N 1.40 0.23 0.00 -1.33 2.10 -2.00 -3.18 117.51 114.73 1s97 h ILE 104 Ca -0.11 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.71 1s97 h ILE 104 Cb 0.49 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 37.31 1s97 h ILE 104 CO 0.15 0.02 -0.27 -0.90 -1.08 0.00 0.00 178.15 176.07 1s97 n ASP 105 N -3.39 0.74 -4.00 2.19 5.68 -1.26 -4.80 116.55 111.71 1s97 n ASP 105 Ca -0.03 -2.14 -0.14 0.00 -0.50 0.00 0.00 54.79 51.98 1s97 n ASP 105 Cb 0.11 -0.22 -0.13 0.00 -1.14 0.00 0.00 41.12 39.75 1s97 n ASP 105 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1s97 s GLU 106 N -0.81 0.45 -0.22 0.11 2.02 -1.20 -1.96 118.70 117.09 1s97 s GLU 106 Ca 0.08 -0.45 -0.19 0.00 0.02 0.00 0.00 54.97 54.43 1s97 s GLU 106 Cb 0.07 -0.33 0.06 0.00 0.10 0.00 0.00 34.13 34.03 1s97 s GLU 106 CO 0.01 0.08 0.59 0.00 0.02 0.00 0.00 175.26 175.95 1s97 s ALA 107 N -0.71 -1.48 -0.13 5.21 0.00 -0.68 -2.12 121.76 121.85 1s97 s ALA 107 Ca -0.04 1.74 -0.03 0.00 0.00 0.00 0.00 51.96 53.62 1s97 s ALA 107 Cb -0.06 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 1s97 s ALA 107 CO 0.00 -0.29 -0.01 0.71 0.00 0.00 0.00 175.76 176.17 1s97 s TYR 108 N 0.52 3.11 -0.05 0.00 2.02 0.30 -0.38 117.35 122.86 1s97 s TYR 108 Ca -0.02 -0.03 0.05 0.00 -0.37 0.00 0.00 57.07 56.70 1s97 s TYR 108 Cb -0.05 -1.90 -0.01 0.00 -0.40 0.00 0.00 41.96 39.61 1s97 s TYR 108 CO -0.02 0.20 -0.21 -0.51 -1.57 0.00 0.00 175.55 173.44 1s97 s LEU 109 N -0.17 2.00 -0.59 -1.29 1.02 -0.38 -0.14 118.68 119.13 1s97 s LEU 109 Ca 0.04 -0.44 -0.18 0.00 0.02 0.00 0.00 54.13 53.57 1s97 s LEU 109 Cb -0.13 -1.19 0.12 0.00 0.02 0.00 0.00 46.19 45.01 1s97 s LEU 109 CO 0.02 0.20 0.65 -0.62 0.02 0.00 0.00 176.35 176.62 1s97 s ASP 110 N -0.04 6.22 -0.43 2.29 -1.08 -0.76 -1.05 116.67 121.82 1s97 s ASP 110 Ca -0.05 -1.61 0.05 0.00 -0.52 0.00 0.00 52.55 50.42 1s97 s ASP 110 Cb -0.13 -2.27 0.66 0.00 -1.46 0.00 0.00 42.92 39.71 1s97 s ASP 110 CO 0.03 -1.02 1.87 2.30 0.52 0.00 0.00 175.17 178.88 1s97 n ILE 111 N 5.39 3.13 0.18 4.11 -5.35 -0.59 -4.60 119.36 121.63 1s97 n ILE 111 Ca -0.09 -1.99 -0.14 0.00 -0.27 0.00 0.00 62.75 60.25 1s97 n ILE 111 Cb 0.42 -0.45 -0.08 0.00 -1.74 0.00 0.00 39.64 37.79 1s97 n ILE 111 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1s97 h SER 112 N 1.08 -0.33 -0.14 7.28 0.02 -1.86 -1.69 113.55 117.91 1s97 h SER 112 Ca 0.58 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.43 1s97 h SER 112 Cb 2.73 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 65.31 1s97 h SER 112 CO 1.02 -0.20 0.11 0.47 -1.14 0.00 0.00 176.83 177.09 1s97 n ASP 113 N -5.24 4.84 0.00 3.07 10.43 -1.26 -3.46 116.55 124.93 1s97 n ASP 113 Ca -0.10 -2.48 0.00 0.00 2.57 0.00 0.00 54.79 54.78 1s97 n ASP 113 Cb 0.19 -0.93 0.00 0.00 1.84 0.00 0.00 41.12 42.22 1s97 n ASP 113 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1s97 n LYS 114 N 0.87 0.60 -4.15 -1.24 4.76 -0.71 -5.11 118.16 113.18 1s97 n LYS 114 Ca 0.09 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.38 1s97 n LYS 114 Cb 0.57 -0.53 -0.11 0.00 -1.84 0.00 0.00 35.03 33.11 1s97 n LYS 114 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1s97 s VAL 115 N -1.01 0.89 -0.14 -0.18 -7.23 -0.74 -5.03 120.40 106.97 1s97 s VAL 115 Ca 0.00 -1.49 -0.20 0.00 -1.81 0.00 0.00 61.98 58.48 1s97 s VAL 115 Cb 0.00 -1.19 -0.25 0.00 0.56 0.00 0.00 36.38 35.50 1s97 s VAL 115 CO 0.00 -0.48 0.51 0.03 -0.31 0.00 0.00 175.10 174.85 1s97 h ARG 116 N 3.84 0.14 0.00 4.82 3.08 -1.89 -3.45 114.38 120.92 1s97 h ARG 116 Ca -0.38 -0.24 -0.29 0.00 0.07 0.00 0.00 59.98 59.14 1s97 h ARG 116 Cb 1.19 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 31.26 1s97 h ARG 116 CO 0.49 1.11 -0.26 -0.40 -1.07 0.00 0.00 179.97 179.84 1s97 n ASP 117 N -4.17 0.40 0.18 7.04 3.85 -1.26 -5.03 116.55 117.56 1s97 n ASP 117 Ca -0.24 -2.23 0.14 0.00 -0.71 0.00 0.00 54.79 51.75 1s97 n ASP 117 Cb 0.77 0.75 0.51 0.00 -1.35 0.00 0.00 41.12 41.80 1s97 n ASP 117 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.20 178.07 1s97 h TYR 118 N 1.48 0.00 0.07 2.11 0.05 -1.98 -2.15 116.97 116.55 1s97 h TYR 118 Ca -0.16 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.62 1s97 h TYR 118 Cb 0.68 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.42 1s97 h TYR 118 CO 0.00 0.00 -0.03 -0.09 -1.05 0.00 0.00 178.16 176.99 1s97 h ARG 119 N 0.00 -0.08 -0.67 4.88 2.43 -1.99 -0.67 114.38 118.28 1s97 h ARG 119 Ca 0.00 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1s97 h ARG 119 Cb 0.54 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 1s97 h ARG 119 CO 0.00 0.35 0.19 0.93 -1.51 0.00 0.00 179.97 179.92 1s97 h GLU 120 N -0.54 1.05 -0.65 0.20 5.08 -1.94 -1.81 114.58 115.97 1s97 h GLU 120 Ca -0.01 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1s97 h GLU 120 Cb 0.47 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 1s97 h GLU 120 CO 0.01 0.93 0.42 0.00 -1.00 0.00 0.00 179.01 179.37 1s97 h ALA 121 N 1.08 0.83 -0.21 3.43 0.00 -1.38 0.64 119.26 123.64 1s97 h ALA 121 Ca 0.21 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1s97 h ALA 121 Cb 0.33 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1s97 h ALA 121 CO -0.00 0.21 -0.06 -0.92 0.00 0.00 0.00 179.25 178.48 1s97 h TYR 122 N 0.84 -0.14 -0.58 0.00 3.20 -0.63 0.86 116.97 120.53 1s97 h TYR 122 Ca 0.25 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.17 1s97 h TYR 122 Cb -0.06 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 1s97 h TYR 122 CO -0.04 -0.11 0.33 -0.91 -1.64 0.00 0.00 178.16 175.80 1s97 h ASN 123 N -0.02 0.51 -0.67 -2.11 2.35 -0.50 -1.34 115.58 113.81 1s97 h ASN 123 Ca 0.11 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.90 1s97 h ASN 123 Cb 0.18 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 1s97 h ASN 123 CO -0.23 0.35 0.41 0.25 -1.65 0.00 0.00 177.43 176.56 1s97 h LEU 124 N 0.64 0.67 -1.44 1.61 5.85 -0.06 0.12 115.31 122.69 1s97 h LEU 124 Ca 0.25 0.00 0.11 0.00 0.84 0.00 0.00 57.88 59.08 1s97 h LEU 124 Cb 0.09 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 1s97 h LEU 124 CO -0.13 0.46 0.49 1.23 -0.34 0.00 0.00 178.44 180.15 1s97 h GLY 125 N 0.80 0.90 1.54 3.75 0.00 0.12 0.19 103.07 110.36 1s97 h GLY 125 Ca 0.27 -0.25 -0.17 0.00 0.00 0.00 0.00 47.33 47.18 1s97 h GLY 125 CO -0.11 0.13 -0.63 1.41 0.00 0.00 0.00 176.54 177.34 1s97 h LEU 126 N 0.61 0.54 -0.52 3.11 4.07 0.18 -2.02 115.31 121.29 1s97 h LEU 126 Ca 0.35 -0.32 -0.12 0.00 0.08 0.00 0.00 57.88 57.87 1s97 h LEU 126 Cb 0.55 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.11 1s97 h LEU 126 CO -0.13 1.04 -0.15 -0.08 -1.08 0.00 0.00 178.44 178.04 1s97 h GLU 127 N 0.35 1.01 -0.48 1.13 4.81 0.12 -1.71 114.58 119.81 1s97 h GLU 127 Ca -0.01 -0.40 -0.04 0.00 -0.13 0.00 0.00 59.36 58.79 1s97 h GLU 127 Cb 1.19 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1s97 h GLU 127 CO 0.11 1.08 0.16 0.82 -0.73 0.00 0.00 179.01 180.46 1s97 h ILE 128 N 0.88 1.22 -0.27 2.32 2.04 -0.61 -0.35 117.51 122.74 1s97 h ILE 128 Ca 0.13 -0.72 -0.08 0.00 1.00 0.00 0.00 64.86 65.18 1s97 h ILE 128 Cb 0.72 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1s97 h ILE 128 CO 0.06 0.27 -0.19 0.11 0.00 0.00 0.00 178.15 178.39 1s97 h LYS 129 N 0.63 0.48 -0.27 2.37 1.57 -1.23 -2.21 116.57 117.92 1s97 h LYS 129 Ca 0.16 -0.16 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1s97 h LYS 129 Cb 0.25 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1s97 h LYS 129 CO -0.01 0.65 -0.43 -0.91 -0.57 0.00 0.00 179.45 178.18 1s97 h ASN 130 N 0.43 0.84 0.56 0.86 -0.26 -1.00 -2.27 115.58 114.74 1s97 h ASN 130 Ca 0.07 -0.52 -0.03 0.00 -0.56 0.00 0.00 56.30 55.27 1s97 h ASN 130 Cb 0.57 -0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 37.59 1s97 h ASN 130 CO 0.04 1.20 -0.33 0.50 -1.06 0.00 0.00 177.43 177.78 1s97 h LYS 131 N 0.51 -0.80 -0.93 0.81 1.63 -0.88 -1.16 116.57 115.74 1s97 h LYS 131 Ca 0.02 0.05 0.25 0.00 -0.85 0.00 0.00 60.65 60.13 1s97 h LYS 131 Cb 1.03 0.18 -0.05 0.00 -0.60 0.00 0.00 32.23 32.79 1s97 h LYS 131 CO 0.10 -0.53 0.65 0.82 -3.45 0.00 0.00 179.45 177.03 1s97 h ILE 132 N -0.83 0.57 0.02 2.00 2.04 -1.48 -0.26 117.51 119.57 1s97 h ILE 132 Ca -0.08 -0.05 -0.25 0.00 1.00 0.00 0.00 64.86 65.48 1s97 h ILE 132 Cb 0.66 0.40 0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1s97 h ILE 132 CO 0.09 0.03 -1.01 0.25 0.00 0.00 0.00 178.15 177.51 1s97 h LEU 133 N 0.16 0.66 0.02 1.44 5.85 -1.08 -2.08 115.31 120.28 1s97 h LEU 133 Ca 0.47 -0.55 -0.27 0.00 0.84 0.00 0.00 57.88 58.37 1s97 h LEU 133 Cb 1.58 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 42.42 1s97 h LEU 133 CO -0.09 1.35 -1.14 1.05 -0.34 0.00 0.00 178.44 179.27 1s97 h GLU 134 N 0.27 0.46 0.04 1.25 4.11 0.17 -0.23 114.58 120.66 1s97 h GLU 134 Ca -0.11 -0.61 -0.00 0.00 0.07 0.00 0.00 59.36 58.72 1s97 h GLU 134 Cb 1.66 0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.11 1s97 h GLU 134 CO 0.18 1.24 -0.02 0.87 0.07 0.00 0.00 179.01 181.36 1s97 h LYS 135 N 0.21 -0.05 -0.01 1.06 1.79 -1.32 -3.39 116.57 114.86 1s97 h LYS 135 Ca -0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1s97 h LYS 135 Cb 1.81 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.48 1s97 h LYS 135 CO 0.20 0.59 -0.14 0.39 -1.08 0.00 0.00 179.45 179.41 1s97 n GLU 136 N -4.78 1.80 -2.00 3.15 -0.58 -0.80 -5.00 120.64 112.42 1s97 n GLU 136 Ca -0.09 -0.65 -0.20 0.00 -0.42 0.00 0.00 57.16 55.80 1s97 n GLU 136 Cb 0.33 -1.06 -0.05 0.00 -0.57 0.00 0.00 31.44 30.09 1s97 n GLU 136 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1s97 n LYS 137 N -0.13 -1.52 -4.08 3.49 4.76 -0.10 -4.98 118.16 115.61 1s97 n LYS 137 Ca 0.04 1.10 -0.35 0.00 -2.87 0.00 0.00 58.31 56.22 1s97 n LYS 137 Cb 0.19 -5.60 -0.09 0.00 -1.84 0.00 0.00 35.03 27.69 1s97 n LYS 137 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1s97 s ILE 138 N -2.89 4.82 0.06 -0.18 -1.09 -1.21 -4.96 121.20 115.76 1s97 s ILE 138 Ca 0.00 -0.04 -0.12 0.00 -2.23 0.00 0.00 60.65 58.26 1s97 s ILE 138 Cb 0.00 -3.11 -0.06 0.00 -1.58 0.00 0.00 42.46 37.71 1s97 s ILE 138 CO 0.00 0.54 0.42 0.42 -1.23 0.00 0.00 174.94 175.10 1s97 s THR 139 N -0.35 5.04 0.08 2.92 -4.23 -1.26 -3.80 115.64 114.04 1s97 s THR 139 Ca 0.09 0.66 0.01 0.00 -1.18 0.00 0.00 61.69 61.27 1s97 s THR 139 Cb -0.12 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 1s97 s THR 139 CO 0.02 0.40 -0.06 0.68 -0.54 0.00 0.00 174.62 175.12 1s97 s VAL 140 N -1.28 0.54 -0.14 2.29 -7.23 -1.26 -2.25 120.40 111.06 1s97 s VAL 140 Ca 0.30 -1.79 -0.01 0.00 -1.81 0.00 0.00 61.98 58.66 1s97 s VAL 140 Cb -0.15 -1.50 -0.02 0.00 0.56 0.00 0.00 36.38 35.27 1s97 s VAL 140 CO 0.16 -0.85 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.11 1s97 s THR 141 N -3.42 3.28 -0.10 5.32 2.01 -0.51 -3.91 115.64 118.31 1s97 s THR 141 Ca 0.08 -0.57 -0.04 0.00 0.31 0.00 0.00 61.69 61.46 1s97 s THR 141 Cb 0.04 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1s97 s THR 141 CO -0.06 0.51 0.07 -0.69 -0.69 0.00 0.00 174.62 173.77 1s97 s VAL 142 N 0.46 4.93 -0.06 3.82 1.01 -0.17 -1.38 120.40 129.00 1s97 s VAL 142 Ca -0.08 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.90 1s97 s VAL 142 Cb -0.15 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.12 1s97 s VAL 142 CO 0.04 0.61 -0.11 -0.83 0.00 0.00 0.00 175.10 174.80 1s97 s GLY 143 N -0.98 0.76 -0.03 4.51 0.00 0.32 -1.71 107.32 110.20 1s97 s GLY 143 Ca 0.14 -0.38 0.05 0.00 0.00 0.00 0.00 44.72 44.53 1s97 s GLY 143 CO 0.03 0.15 -0.18 -0.42 0.00 0.00 0.00 173.10 172.68 1s97 s ILE 144 N 0.69 1.46 0.00 0.90 1.01 -0.44 0.13 121.20 124.95 1s97 s ILE 144 Ca -0.14 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1s97 s ILE 144 Cb -0.16 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.08 1s97 s ILE 144 CO 0.03 0.42 0.00 -0.24 0.00 0.00 0.00 174.94 175.15 1s97 n SER 145 N 2.89 0.00 0.21 3.58 2.88 -0.88 -1.26 113.62 121.03 1s97 n SER 145 Ca -0.16 -0.89 0.10 0.00 -1.33 0.00 0.00 58.87 56.59 1s97 n SER 145 Cb 0.53 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.20 1s97 n SER 145 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1s97 h LYS 146 N 0.00 0.00 -4.16 -1.46 2.10 -1.77 0.01 116.57 111.29 1s97 h LYS 146 Ca 0.00 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.48 1s97 h LYS 146 Cb 0.00 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.21 1s97 h LYS 146 CO 0.00 0.13 -0.37 0.54 -2.00 0.00 0.00 179.45 177.74 1s97 s ASN 147 N -6.21 0.13 0.21 7.07 6.03 -1.26 -4.54 114.94 116.37 1s97 s ASN 147 Ca 0.05 -1.20 -0.09 0.00 -1.03 0.00 0.00 52.86 50.59 1s97 s ASN 147 Cb 0.06 0.49 0.23 0.00 -3.03 0.00 0.00 41.25 39.01 1s97 s ASN 147 CO 0.67 -1.00 1.83 0.11 -2.03 0.00 0.00 177.10 176.68 1s97 h LYS 148 N 2.42 0.78 0.05 3.55 1.57 -1.91 -1.29 116.57 121.74 1s97 h LYS 148 Ca -0.31 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1s97 h LYS 148 Cb 1.25 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 1s97 h LYS 148 CO 0.44 0.52 -0.04 0.28 -0.57 0.00 0.00 179.45 180.08 1s97 h VAL 149 N 0.81 0.91 0.00 0.50 2.07 -1.97 -0.86 116.25 117.71 1s97 h VAL 149 Ca 0.30 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.75 1s97 h VAL 149 Cb 0.11 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1s97 h VAL 149 CO -0.15 0.00 -0.33 -0.26 0.02 0.00 0.00 177.57 176.85 1s97 h PHE 150 N -0.10 0.00 -0.45 1.57 0.04 -1.95 -1.56 116.94 114.49 1s97 h PHE 150 Ca -0.00 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 1s97 h PHE 150 Cb 0.09 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 1s97 h PHE 150 CO -0.09 0.33 -0.02 0.00 -0.60 0.00 0.00 178.31 177.93 1s97 h ALA 151 N 1.67 0.61 0.01 2.45 0.00 -0.91 -0.95 119.26 122.13 1s97 h ALA 151 Ca -0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1s97 h ALA 151 Cb 0.81 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1s97 h ALA 151 CO 0.04 0.43 -0.00 -0.22 0.00 0.00 0.00 179.25 179.50 1s97 h LYS 152 N 0.65 -0.01 -0.94 0.00 3.64 -0.72 -2.76 116.57 116.44 1s97 h LYS 152 Ca 0.12 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.63 1s97 h LYS 152 Cb 0.53 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.28 1s97 h LYS 152 CO 0.03 0.18 0.60 0.82 -2.27 0.00 0.00 179.45 178.80 1s97 h ILE 153 N -0.19 0.91 0.13 2.00 2.04 -1.18 -0.34 117.51 120.87 1s97 h ILE 153 Ca -0.00 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.58 1s97 h ILE 153 Cb 0.19 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 1s97 h ILE 153 CO 0.00 0.16 -0.27 0.00 0.00 0.00 0.00 178.15 178.05 1s97 h ALA 154 N 1.56 -0.46 -0.94 1.87 0.00 -0.90 -1.48 119.26 118.91 1s97 h ALA 154 Ca 0.46 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.35 1s97 h ALA 154 Cb 0.53 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1s97 h ALA 154 CO -0.22 -0.80 0.62 0.00 0.00 0.00 0.00 179.25 178.84 1s97 h ALA 155 N 0.24 1.22 -0.73 0.00 0.00 -1.07 -0.71 119.26 118.21 1s97 h ALA 155 Ca 0.03 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.00 1s97 h ALA 155 Cb 0.50 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1s97 h ALA 155 CO -0.15 0.54 0.48 -0.44 0.00 0.00 0.00 179.25 179.68 1s97 h ASP 156 N 1.23 0.49 0.37 0.00 3.32 -0.39 -0.74 116.42 120.71 1s97 h ASP 156 Ca 0.36 0.02 -0.27 0.00 0.02 0.00 0.00 57.03 57.16 1s97 h ASP 156 Cb -0.07 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.41 1s97 h ASP 156 CO -0.10 0.28 -1.18 0.24 -1.72 0.00 0.00 179.24 176.76 1s97 h MET 157 N 0.54 0.44 -0.00 3.56 2.86 -0.15 -3.27 114.93 118.90 1s97 h MET 157 Ca 0.35 -0.61 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1s97 h MET 157 Cb 0.62 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.48 1s97 h MET 157 CO -0.12 1.25 -0.07 0.00 1.06 0.00 0.00 176.91 179.03 1s97 n ALA 158 N -2.59 2.53 -1.60 6.32 0.00 -0.72 -4.90 120.51 119.55 1s97 n ALA 158 Ca -0.10 -0.15 -0.55 0.00 0.00 0.00 0.00 53.44 52.64 1s97 n ALA 158 Cb 0.97 -1.42 -0.07 0.00 0.00 0.00 0.00 19.45 18.93 1s97 n ALA 158 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1s97 n LYS 159 N -1.43 0.86 -3.99 0.00 4.76 -0.34 -3.41 118.16 114.61 1s97 n LYS 159 Ca 0.08 0.31 -0.23 0.00 -2.87 0.00 0.00 58.31 55.60 1s97 n LYS 159 Cb 0.32 -1.93 -0.06 0.00 -1.84 0.00 0.00 35.03 31.52 1s97 n LYS 159 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1s97 s PRO 160 N 0.97 2.34 -1.63 1.97 0.04 -1.26 -4.93 135.00 132.50 1s97 s PRO 160 Ca 0.89 -1.68 -0.14 0.00 0.04 0.00 0.00 61.00 60.10 1s97 s PRO 160 Cb -1.06 -2.13 0.12 0.00 0.04 0.00 0.00 34.50 31.47 1s97 s PRO 160 CO 0.53 -0.07 0.73 -1.71 0.04 0.00 0.00 177.00 176.52 1s97 n ASN 161 N -1.28 -2.82 -4.55 6.66 4.05 -1.26 -4.94 115.26 111.11 1s97 n ASN 161 Ca -0.01 -0.99 -0.30 0.00 0.45 0.00 0.00 54.58 53.74 1s97 n ASN 161 Cb 0.63 -2.91 -0.08 0.00 1.23 0.00 0.00 39.78 38.65 1s97 n ASN 161 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1s97 s GLY 162 N -3.52 2.78 -0.11 8.20 0.00 -1.22 -4.95 107.32 108.50 1s97 s GLY 162 Ca 0.58 -0.99 -0.04 0.00 0.00 0.00 0.00 44.72 44.27 1s97 s GLY 162 CO 0.91 -2.06 0.23 -1.50 0.00 0.00 0.00 173.10 170.69 1s97 s ILE 163 N -2.98 -0.34 -0.02 0.90 2.07 -1.26 -1.00 121.20 118.57 1s97 s ILE 163 Ca 0.17 0.29 0.02 0.00 -1.41 0.00 0.00 60.65 59.72 1s97 s ILE 163 Cb 0.03 -0.40 0.00 0.00 0.13 0.00 0.00 42.46 42.23 1s97 s ILE 163 CO 0.09 0.12 -0.09 -0.75 -1.91 0.00 0.00 174.94 172.40 1s97 s LYS 164 N 2.28 0.90 -0.01 3.50 2.47 -0.69 -4.99 119.74 123.20 1s97 s LYS 164 Ca 0.01 -0.29 0.02 0.00 -1.56 0.00 0.00 55.97 54.14 1s97 s LYS 164 Cb -0.12 -0.85 -0.03 0.00 -1.46 0.00 0.00 37.83 35.37 1s97 s LYS 164 CO -0.08 0.11 -0.03 0.14 0.16 0.00 0.00 175.35 175.65 1s97 s VAL 165 N 0.16 3.91 -0.33 4.02 -7.23 -1.26 -1.33 120.40 118.34 1s97 s VAL 165 Ca -0.02 -0.64 -0.00 0.00 -1.81 0.00 0.00 61.98 59.50 1s97 s VAL 165 Cb -0.08 -2.71 0.11 0.00 0.56 0.00 0.00 36.38 34.26 1s97 s VAL 165 CO 0.00 0.42 0.12 -0.63 -0.31 0.00 0.00 175.10 174.70 1s97 s ILE 166 N -1.01 1.00 0.87 -0.62 1.01 -0.39 -4.96 121.20 117.10 1s97 s ILE 166 Ca 0.17 -1.61 -0.12 0.00 0.00 0.00 0.00 60.65 59.10 1s97 s ILE 166 Cb -0.11 -1.75 0.11 0.00 0.01 0.00 0.00 42.46 40.73 1s97 s ILE 166 CO 0.08 -0.71 1.15 1.51 0.00 0.00 0.00 174.94 176.97 1s97 s ASP 167 N 1.40 3.89 0.44 3.58 3.84 -1.26 -4.41 116.67 124.16 1s97 s ASP 167 Ca 0.11 0.92 0.25 0.00 -0.00 0.00 0.00 52.55 53.84 1s97 s ASP 167 Cb -0.18 -1.48 1.28 0.00 -1.38 0.00 0.00 42.92 41.15 1s97 s ASP 167 CO -0.20 -2.31 1.74 0.44 -0.00 0.00 0.00 175.17 174.84 1s97 h ASP 168 N -1.33 0.30 0.74 2.11 3.45 -2.00 0.33 116.42 120.03 1s97 h ASP 168 Ca -0.49 0.08 -0.20 0.00 0.43 0.00 0.00 57.03 56.84 1s97 h ASP 168 Cb 1.33 0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 40.11 1s97 h ASP 168 CO 0.63 0.01 -0.93 -0.33 -1.57 0.00 0.00 179.24 177.05 1s97 h GLU 169 N 0.24 0.11 -0.04 3.56 4.39 -2.00 -2.90 114.58 117.94 1s97 h GLU 169 Ca 0.64 -0.14 -0.10 0.00 0.34 0.00 0.00 59.36 60.11 1s97 h GLU 169 Cb 1.94 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 30.62 1s97 h GLU 169 CO -0.25 0.96 -0.44 0.93 -1.16 0.00 0.00 179.01 179.04 1s97 h GLU 170 N 0.05 0.08 0.44 2.33 4.39 -0.74 -1.88 114.58 119.25 1s97 h GLU 170 Ca -0.04 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 1s97 h GLU 170 Cb 1.60 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.25 1s97 h GLU 170 CO 0.13 0.50 -0.21 0.28 -1.16 0.00 0.00 179.01 178.56 1s97 h VAL 171 N 0.07 0.39 -0.96 3.13 2.07 -1.06 -1.51 116.25 118.37 1s97 h VAL 171 Ca 0.00 -0.55 0.14 0.00 0.82 0.00 0.00 66.70 67.11 1s97 h VAL 171 Cb 0.80 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 31.06 1s97 h VAL 171 CO 0.06 0.07 0.61 0.11 0.02 0.00 0.00 177.57 178.44 1s97 h LYS 172 N -0.98 0.83 -0.67 1.57 1.57 -1.48 0.76 116.57 118.16 1s97 h LYS 172 Ca -0.06 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1s97 h LYS 172 Cb 0.57 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1s97 h LYS 172 CO 0.10 0.55 0.11 -0.09 -0.57 0.00 0.00 179.45 179.55 1s97 h ARG 173 N 0.85 1.11 0.00 3.15 2.43 -1.30 -2.87 114.38 117.76 1s97 h ARG 173 Ca 0.48 -0.30 -0.18 0.00 -0.81 0.00 0.00 59.98 59.17 1s97 h ARG 173 Cb 0.62 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1s97 h ARG 173 CO -0.25 1.01 -0.86 -0.07 -1.51 0.00 0.00 179.97 178.30 1s97 h LEU 174 N 1.04 0.10 -2.16 3.80 3.38 0.16 -0.57 115.31 121.05 1s97 h LEU 174 Ca 0.21 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.16 1s97 h LEU 174 Cb 0.44 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1s97 h LEU 174 CO 0.01 0.90 0.23 0.40 0.09 0.00 0.00 178.44 180.08 1s97 h ILE 175 N 0.04 0.53 0.00 1.22 2.04 0.64 -0.64 117.51 121.35 1s97 h ILE 175 Ca -0.02 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 1s97 h ILE 175 Cb 1.50 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1s97 h ILE 175 CO 0.12 0.00 -1.48 -2.11 0.00 0.00 0.00 178.15 174.68 1s97 n ARG 176 N -3.92 1.26 -0.04 2.37 1.85 -1.15 -0.99 116.66 116.04 1s97 n ARG 176 Ca 0.03 -0.05 0.04 0.00 -1.00 0.00 0.00 57.85 56.87 1s97 n ARG 176 Cb 0.37 -1.22 -0.17 0.00 -1.05 0.00 0.00 32.46 30.40 1s97 n ARG 176 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1s97 n GLU 177 N -2.02 0.67 -2.44 2.89 1.02 -0.23 -4.76 120.64 115.76 1s97 n GLU 177 Ca -0.07 -0.13 -0.42 0.00 -0.02 0.00 0.00 57.16 56.52 1s97 n GLU 177 Cb 0.46 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.33 1s97 n GLU 177 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1s97 s LEU 178 N -4.86 4.33 0.07 -4.62 2.96 -0.26 -4.96 118.68 111.33 1s97 s LEU 178 Ca -0.09 1.91 -0.30 0.00 -0.22 0.00 0.00 54.13 55.43 1s97 s LEU 178 Cb 0.11 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 43.14 1s97 s LEU 178 CO 0.88 -0.52 1.90 -0.62 -1.32 0.00 0.00 176.35 176.67 1s97 s ASP 179 N 1.29 6.44 0.64 3.68 -1.08 -1.26 -4.08 116.67 122.30 1s97 s ASP 179 Ca 0.57 2.70 0.29 0.00 -0.52 0.00 0.00 52.55 55.59 1s97 s ASP 179 Cb -0.27 -2.55 1.56 0.00 -1.46 0.00 0.00 42.92 40.20 1s97 s ASP 179 CO 0.26 -1.03 1.91 -0.29 0.52 0.00 0.00 175.17 176.53 1s97 h ILE 180 N 5.23 0.14 0.00 4.11 2.10 -1.63 -0.60 117.51 126.86 1s97 h ILE 180 Ca -0.48 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.46 1s97 h ILE 180 Cb 1.23 0.65 0.00 0.00 -1.09 0.00 0.00 36.82 37.61 1s97 h ILE 180 CO 0.94 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 178.01 1s97 h ALA 181 N 1.37 1.00 -0.52 0.18 0.00 -1.88 -2.36 119.26 117.05 1s97 h ALA 181 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1s97 h ALA 181 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1s97 h ALA 181 CO -0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1s97 n ASP 182 N -2.54 2.93 -4.65 0.00 8.00 -0.23 -4.76 116.55 115.29 1s97 n ASP 182 Ca 0.02 -2.04 -0.41 0.00 0.71 0.00 0.00 54.79 53.06 1s97 n ASP 182 Cb 0.27 -0.37 -0.05 0.00 -0.02 0.00 0.00 41.12 40.95 1s97 n ASP 182 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s97 s VAL 183 N -1.36 4.89 0.26 2.53 1.01 -0.89 -4.96 120.40 121.88 1s97 s VAL 183 Ca 0.36 1.47 -0.28 0.00 0.00 0.00 0.00 61.98 63.53 1s97 s VAL 183 Cb 0.19 -4.07 -0.15 0.00 0.00 0.00 0.00 36.38 32.35 1s97 s VAL 183 CO 0.23 -0.01 0.87 -0.81 0.00 0.00 0.00 175.10 175.38 1s97 n PRO 184 N 5.66 0.93 -0.23 2.72 -0.04 -1.26 -1.21 135.00 141.56 1s97 n PRO 184 Ca 0.04 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1s97 n PRO 184 Cb 0.48 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1s97 n PRO 184 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s97 n GLY 185 N 1.49 0.91 3.20 0.55 0.00 -1.26 -5.02 105.19 105.06 1s97 n GLY 185 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1s97 n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s97 s ILE 186 N -2.63 3.25 0.00 -0.61 -1.09 -0.35 -5.03 121.20 114.73 1s97 s ILE 186 Ca 0.00 -1.35 0.00 0.00 -2.23 0.00 0.00 60.65 57.07 1s97 s ILE 186 Cb 0.00 -2.88 0.00 0.00 -1.58 0.00 0.00 42.46 38.00 1s97 s ILE 186 CO 0.00 -0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.15 1s97 n GLY 187 N 4.68 4.37 0.40 6.18 0.00 -1.26 -4.72 105.19 114.84 1s97 n GLY 187 Ca -0.12 -2.03 -0.15 0.00 0.00 0.00 0.00 46.02 43.71 1s97 n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1s97 h ASN 188 N 0.00 -0.94 -0.55 1.61 -0.26 -1.98 0.99 115.58 114.45 1s97 h ASN 188 Ca 0.00 0.05 0.10 0.00 -0.56 0.00 0.00 56.30 55.89 1s97 h ASN 188 Cb 0.00 0.27 -0.11 0.00 -1.06 0.00 0.00 38.32 37.42 1s97 h ASN 188 CO 0.00 -0.60 -0.30 0.40 -1.06 0.00 0.00 177.43 175.87 1s97 h ILE 189 N -0.96 0.22 -0.28 2.81 5.03 -2.00 -0.42 117.51 121.91 1s97 h ILE 189 Ca -0.09 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 64.62 1s97 h ILE 189 Cb 0.76 0.22 -0.01 0.00 -3.03 0.00 0.00 36.82 34.76 1s97 h ILE 189 CO 0.10 0.00 0.05 0.74 -0.68 0.00 0.00 178.15 178.37 1s97 h THR 190 N -0.16 1.23 -0.17 -0.27 2.02 -1.95 -2.43 112.91 111.18 1s97 h THR 190 Ca 0.23 -0.76 0.05 0.00 0.77 0.00 0.00 66.41 66.70 1s97 h THR 190 Cb 0.53 1.20 -0.06 0.00 -1.74 0.00 0.00 68.15 68.07 1s97 h THR 190 CO -0.64 0.25 -0.28 0.00 0.37 0.00 0.00 175.52 175.22 1s97 h ALA 191 N 0.88 -0.26 -0.81 6.16 0.00 0.15 -0.07 119.26 125.30 1s97 h ALA 191 Ca 0.08 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1s97 h ALA 191 Cb 0.32 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 1s97 h ALA 191 CO 0.00 -0.74 0.50 0.93 0.00 0.00 0.00 179.25 179.95 1s97 h GLU 192 N -0.33 0.90 0.00 0.00 4.39 -1.08 0.25 114.58 118.71 1s97 h GLU 192 Ca 0.11 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 1s97 h GLU 192 Cb 0.50 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1s97 h GLU 192 CO -0.36 0.60 -0.19 0.87 -1.16 0.00 0.00 179.01 178.76 1s97 h LYS 193 N 0.93 0.00 0.01 2.33 1.57 -0.80 -0.90 116.57 119.70 1s97 h LYS 193 Ca 0.35 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1s97 h LYS 193 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1s97 h LYS 193 CO -0.16 0.19 -0.01 -0.07 -0.57 0.00 0.00 179.45 178.84 1s97 h LEU 194 N 0.00 -0.01 -1.98 2.94 3.38 0.63 -3.04 115.31 117.23 1s97 h LEU 194 Ca -0.00 -0.79 0.20 0.00 0.09 0.00 0.00 57.88 57.38 1s97 h LEU 194 Cb 0.34 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1s97 h LEU 194 CO 0.03 0.83 0.54 0.50 0.09 0.00 0.00 178.44 180.43 1s97 h LYS 195 N -0.91 0.00 -0.33 1.13 3.64 -0.39 0.52 116.57 120.23 1s97 h LYS 195 Ca -0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1s97 h LYS 195 Cb 0.80 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1s97 h LYS 195 CO 0.00 0.00 -0.20 0.87 -2.27 0.00 0.00 179.45 177.85 1s97 h LYS 196 N 0.00 0.72 0.00 1.90 1.57 -1.16 -2.74 116.57 116.86 1s97 h LYS 196 Ca 0.33 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s97 h LYS 196 Cb 1.42 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.71 1s97 h LYS 196 CO -0.00 0.95 0.00 1.28 -0.57 0.00 0.00 179.45 181.10 1s97 n LEU 197 N -4.30 0.00 -0.57 2.94 4.32 0.18 -4.85 117.00 114.72 1s97 n LEU 197 Ca -0.03 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 55.89 1s97 n LEU 197 Cb 0.42 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.20 1s97 n LEU 197 CO 0.44 0.00 -0.07 0.61 -1.22 0.00 0.00 177.39 177.15 1s97 n GLY 198 N 0.47 0.76 3.45 -0.72 0.00 -0.86 -5.01 105.19 103.29 1s97 n GLY 198 Ca 0.01 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 1s97 n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s97 s ILE 199 N -2.27 5.03 -0.11 -0.61 1.01 -0.69 -4.88 121.20 118.67 1s97 s ILE 199 Ca 0.00 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1s97 s ILE 199 Cb 0.00 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 1s97 s ILE 199 CO 0.00 -0.21 0.10 0.59 0.00 0.00 0.00 174.94 175.43 1s97 n ASN 200 N 5.09 0.22 -4.20 3.58 4.13 -1.26 -3.49 115.26 119.34 1s97 n ASN 200 Ca -0.12 -0.55 -0.12 0.00 1.68 0.00 0.00 54.58 55.48 1s97 n ASN 200 Cb 0.47 1.00 -0.10 0.00 -1.54 0.00 0.00 39.78 39.62 1s97 n ASN 200 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1s97 s LYS 201 N -1.26 1.15 0.24 3.52 -0.14 -1.26 -1.75 119.74 120.24 1s97 s LYS 201 Ca 0.01 -1.59 -0.04 0.00 -1.36 0.00 0.00 55.97 52.99 1s97 s LYS 201 Cb 0.02 0.20 0.28 0.00 -1.68 0.00 0.00 37.83 36.65 1s97 s LYS 201 CO 0.10 -0.34 1.74 -0.07 -0.76 0.00 0.00 175.35 176.03 1s97 h LEU 202 N 2.66 0.84 -1.19 3.17 3.38 -1.63 -3.09 115.31 119.45 1s97 h LEU 202 Ca -0.36 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.37 1s97 h LEU 202 Cb 1.24 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1s97 h LEU 202 CO 0.56 0.88 0.12 -0.37 0.09 0.00 0.00 178.44 179.72 1s97 h VAL 203 N 0.81 1.20 -0.01 1.22 -1.51 -1.38 -2.80 116.25 113.78 1s97 h VAL 203 Ca 0.16 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1s97 h VAL 203 Cb 0.45 0.71 -0.00 0.00 -2.13 0.00 0.00 31.29 30.32 1s97 h VAL 203 CO 0.02 0.26 0.16 0.44 -1.23 0.00 0.00 177.57 177.22 1s97 h ASP 204 N 0.67 0.00 0.70 4.19 3.32 -1.85 0.47 116.42 123.93 1s97 h ASP 204 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1s97 h ASP 204 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1s97 h ASP 204 CO -0.01 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.86 1s97 n THR 205 N -3.03 0.85 0.35 0.35 -2.24 -1.06 -1.09 114.28 108.42 1s97 n THR 205 Ca -0.02 0.22 0.11 0.00 -2.27 0.00 0.00 64.05 62.09 1s97 n THR 205 Cb 0.22 -1.11 0.04 0.00 -2.10 0.00 0.00 70.33 67.38 1s97 n THR 205 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1s97 n LEU 206 N -2.09 0.68 -2.56 3.22 4.77 0.16 -4.08 117.00 117.10 1s97 n LEU 206 Ca 0.02 0.18 -0.33 0.00 -0.03 0.00 0.00 56.01 55.85 1s97 n LEU 206 Cb 0.22 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1s97 n LEU 206 CO 0.19 -0.07 1.50 -1.20 -1.33 0.00 0.00 177.39 176.47 1s97 n SER 207 N -2.29 7.20 -3.48 -1.43 7.64 -0.25 -4.91 113.62 116.09 1s97 n SER 207 Ca 0.01 -3.59 -0.15 0.00 1.01 0.00 0.00 58.87 56.16 1s97 n SER 207 Cb 0.49 -1.09 -0.04 0.00 -1.01 0.00 0.00 64.21 62.56 1s97 n SER 207 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1s97 s ILE 208 N -4.02 0.00 0.23 0.44 2.07 -1.25 -5.03 121.20 113.65 1s97 s ILE 208 Ca 0.54 -0.04 -0.30 0.00 -1.41 0.00 0.00 60.65 59.45 1s97 s ILE 208 Cb 0.42 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.92 1s97 s ILE 208 CO -0.23 -0.02 1.20 -0.70 -1.91 0.00 0.00 174.94 173.28 1s97 s GLU 209 N -2.50 4.50 0.01 3.50 2.56 -1.26 -4.96 118.70 120.56 1s97 s GLU 209 Ca -0.05 1.92 -0.25 0.00 0.00 0.00 0.00 54.97 56.59 1s97 s GLU 209 Cb -0.01 -3.20 -0.17 0.00 2.00 0.00 0.00 34.13 32.76 1s97 s GLU 209 CO -0.02 -0.04 1.24 0.35 -0.56 0.00 0.00 175.26 176.23 1s97 h PHE 210 N 4.65 -0.37 -0.28 5.30 3.57 -1.98 -1.12 116.94 126.71 1s97 h PHE 210 Ca -0.46 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.11 1s97 h PHE 210 Cb 1.21 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 1s97 h PHE 210 CO 0.60 -0.04 0.34 -0.44 -2.23 0.00 0.00 178.31 176.54 1s97 h ASP 211 N -0.75 0.00 0.18 0.41 5.19 -1.98 0.16 116.42 119.62 1s97 h ASP 211 Ca -0.04 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 1s97 h ASP 211 Cb 0.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.01 1s97 h ASP 211 CO 0.07 0.00 -0.08 0.50 -3.12 0.00 0.00 179.24 176.60 1s97 h LYS 212 N 0.00 -0.23 0.19 3.56 1.63 -1.91 -2.78 116.57 117.04 1s97 h LYS 212 Ca 0.13 0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.96 1s97 h LYS 212 Cb 0.80 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.46 1s97 h LYS 212 CO -0.00 0.15 -0.26 1.25 -3.45 0.00 0.00 179.45 177.13 1s97 h LEU 213 N -0.94 -0.73 -1.33 5.20 5.85 0.12 -1.24 115.31 122.25 1s97 h LEU 213 Ca -0.02 0.08 0.25 0.00 0.84 0.00 0.00 57.88 59.03 1s97 h LEU 213 Cb 0.48 0.26 -0.09 0.00 0.37 0.00 0.00 40.66 41.68 1s97 h LEU 213 CO 0.04 -0.37 0.65 0.50 -0.34 0.00 0.00 178.44 178.93 1s97 h LYS 214 N -0.52 0.42 -0.39 1.25 3.64 -0.88 -0.07 116.57 120.01 1s97 h LYS 214 Ca 0.01 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1s97 h LYS 214 Cb 0.51 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1s97 h LYS 214 CO -0.10 0.28 -0.10 0.78 -2.27 0.00 0.00 179.45 178.03 1s97 h GLY 215 N 0.43 0.74 1.17 5.01 0.00 -0.93 -0.36 103.07 109.13 1s97 h GLY 215 Ca 0.59 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1s97 h GLY 215 CO -0.31 0.50 -0.93 1.98 0.00 0.00 0.00 176.54 177.78 1s97 h MET 216 N 0.63 0.00 0.00 4.80 1.85 -0.68 -3.41 114.93 118.12 1s97 h MET 216 Ca 0.11 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.15 1s97 h MET 216 Cb 0.55 0.00 -0.10 0.00 0.43 0.00 0.00 31.60 32.48 1s97 h MET 216 CO 0.03 0.08 -0.57 0.44 -0.40 0.00 0.00 176.91 176.49 1s97 n ILE 217 N -2.80 0.00 0.00 1.77 -5.35 -0.80 -4.99 119.36 107.20 1s97 n ILE 217 Ca -0.01 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 1s97 n ILE 217 Cb 0.61 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 39.08 1s97 n ILE 217 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s97 n GLY 218 N 0.12 -1.60 0.06 3.28 0.00 -0.15 -4.34 105.19 102.57 1s97 n GLY 218 Ca 0.00 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 1s97 n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1s97 h GLU 219 N 0.00 0.03 -0.07 1.61 4.81 -1.93 -2.46 114.58 116.58 1s97 h GLU 219 Ca 0.00 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1s97 h GLU 219 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1s97 h GLU 219 CO 0.00 0.65 0.01 0.00 -0.73 0.00 0.00 179.01 178.94 1s97 h ALA 220 N 0.38 0.06 -0.24 2.92 0.00 -1.96 0.30 119.26 120.72 1s97 h ALA 220 Ca -0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1s97 h ALA 220 Cb 0.65 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1s97 h ALA 220 CO 0.00 -0.46 -0.01 -0.22 0.00 0.00 0.00 179.25 178.56 1s97 h LYS 221 N 0.04 0.36 0.25 0.00 1.63 -1.76 0.49 116.57 117.58 1s97 h LYS 221 Ca 0.03 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1s97 h LYS 221 Cb 0.02 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1s97 h LYS 221 CO -0.04 0.40 -0.12 0.00 -3.45 0.00 0.00 179.45 176.24 1s97 h ALA 222 N 1.65 -0.33 -0.83 5.00 0.00 -0.86 -2.37 119.26 121.51 1s97 h ALA 222 Ca 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1s97 h ALA 222 Cb 0.26 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1s97 h ALA 222 CO 0.01 -0.50 0.47 0.87 0.00 0.00 0.00 179.25 180.10 1s97 h LYS 223 N -0.72 1.15 0.29 0.00 1.57 -0.10 -2.53 116.57 116.24 1s97 h LYS 223 Ca -0.03 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1s97 h LYS 223 Cb 0.49 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1s97 h LYS 223 CO 0.06 0.83 -0.39 -0.92 -0.57 0.00 0.00 179.45 178.45 1s97 h TYR 224 N 1.16 -1.07 -0.34 -1.35 3.20 0.03 -1.54 116.97 117.05 1s97 h TYR 224 Ca 0.30 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.14 1s97 h TYR 224 Cb -0.00 0.43 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1s97 h TYR 224 CO 0.01 -0.52 0.05 -0.07 -1.64 0.00 0.00 178.16 175.99 1s97 h LEU 225 N -0.73 0.54 -0.18 2.82 3.38 -1.39 -2.86 115.31 116.89 1s97 h LEU 225 Ca -0.01 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.75 1s97 h LEU 225 Cb 0.69 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1s97 h LEU 225 CO -0.13 0.67 -0.23 0.40 0.09 0.00 0.00 178.44 179.24 1s97 h ILE 226 N 0.40 0.43 -1.00 1.22 2.04 -1.39 -0.04 117.51 119.17 1s97 h ILE 226 Ca 0.10 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.05 1s97 h ILE 226 Cb 0.36 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 36.80 1s97 h ILE 226 CO 0.01 0.00 0.64 0.77 0.00 0.00 0.00 178.15 179.57 1s97 h SER 227 N -0.26 0.99 -0.02 1.72 4.64 -1.26 -0.40 113.55 118.96 1s97 h SER 227 Ca 0.12 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1s97 h SER 227 Cb 0.44 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1s97 h SER 227 CO -0.33 0.60 0.01 -0.07 -0.87 0.00 0.00 176.83 176.17 1s97 h LEU 228 N 1.10 0.03 -2.05 5.97 3.38 -0.99 0.25 115.31 123.00 1s97 h LEU 228 Ca 0.45 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 1s97 h LEU 228 Cb 0.28 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1s97 h LEU 228 CO -0.20 0.10 -0.02 0.00 0.09 0.00 0.00 178.44 178.41 1s97 h ALA 229 N 0.93 1.86 -0.16 1.53 0.00 -0.31 0.16 119.26 123.26 1s97 h ALA 229 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1s97 h ALA 229 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1s97 h ALA 229 CO -0.00 0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.82 1s97 n ARG 230 N -4.36 1.71 -3.86 0.00 1.74 -0.23 -4.87 116.66 106.78 1s97 n ARG 230 Ca -0.03 -1.07 -0.26 0.00 -0.77 0.00 0.00 57.85 55.72 1s97 n ARG 230 Cb 0.11 -1.39 0.02 0.00 -1.02 0.00 0.00 32.46 30.17 1s97 n ARG 230 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1s97 n ASP 231 N 0.30 -2.54 -0.08 0.55 -0.08 0.04 -4.85 116.55 109.89 1s97 n ASP 231 Ca 0.16 -0.85 0.01 0.00 -1.51 0.00 0.00 54.79 52.60 1s97 n ASP 231 Cb 0.32 -3.73 0.00 0.00 2.34 0.00 0.00 41.12 40.06 1s97 n ASP 231 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1s97 n GLU 232 N -4.46 1.20 -1.95 -0.67 1.02 0.77 -5.02 120.64 111.53 1s97 n GLU 232 Ca -0.15 -0.49 -0.42 0.00 -0.02 0.00 0.00 57.16 56.08 1s97 n GLU 232 Cb 0.61 -0.94 -0.03 0.00 -0.02 0.00 0.00 31.44 31.06 1s97 n GLU 232 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1s97 s TYR 233 N -0.50 2.76 0.00 -0.32 5.04 -1.18 -4.87 117.35 118.28 1s97 s TYR 233 Ca 0.03 0.51 0.00 0.00 -2.44 0.00 0.00 57.07 55.16 1s97 s TYR 233 Cb 0.02 -3.92 0.00 0.00 0.35 0.00 0.00 41.96 38.41 1s97 s TYR 233 CO 0.05 -3.54 0.52 0.27 -1.34 0.00 0.00 175.55 171.51 1s97 n ASN 234 N 4.78 0.00 -4.44 4.32 2.04 -1.26 -4.84 115.26 115.85 1s97 n ASN 234 Ca 0.15 -1.16 -0.61 0.00 -0.44 0.00 0.00 54.58 52.51 1s97 n ASN 234 Cb 0.40 -0.03 -0.09 0.00 -2.53 0.00 0.00 39.78 37.53 1s97 n ASN 234 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1s97 n GLU 235 N 0.00 0.00 -1.36 -3.83 -0.58 -1.26 -4.91 120.64 108.70 1s97 n GLU 235 Ca 0.00 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.42 1s97 n GLU 235 Cb 0.53 -1.44 0.09 0.00 -0.57 0.00 0.00 31.44 30.05 1s97 n GLU 235 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 1s97 s PRO 236 N 1.58 2.25 -0.61 3.49 0.02 -1.26 -4.65 135.00 135.81 1s97 s PRO 236 Ca 0.95 1.35 -0.25 0.00 0.02 0.00 0.00 61.00 63.07 1s97 s PRO 236 Cb -1.34 -1.88 0.04 0.00 0.02 0.00 0.00 34.50 31.34 1s97 s PRO 236 CO 0.68 -1.67 1.05 0.42 -0.33 0.00 0.00 177.00 177.14 1s97 s ILE 237 N -2.60 4.20 -0.23 2.83 -1.09 -1.26 -4.99 121.20 118.05 1s97 s ILE 237 Ca 0.65 0.25 -0.10 0.00 -2.23 0.00 0.00 60.65 59.22 1s97 s ILE 237 Cb -0.20 -4.67 -0.05 0.00 -1.58 0.00 0.00 42.46 35.96 1s97 s ILE 237 CO 0.51 -1.36 0.15 -0.13 -1.23 0.00 0.00 174.94 172.88 1s97 s ARG 238 N 4.45 4.08 -0.02 2.79 0.52 -1.26 -4.80 118.95 124.72 1s97 s ARG 238 Ca 0.31 -0.27 -0.30 0.00 -0.52 0.00 0.00 55.73 54.96 1s97 s ARG 238 Cb -0.12 -3.52 -0.07 0.00 0.52 0.00 0.00 34.95 31.76 1s97 s ARG 238 CO 0.17 0.09 1.74 -0.08 0.02 0.00 0.00 175.30 177.25 1s97 s THR 239 N 0.96 3.37 0.38 0.02 -1.32 -1.26 -4.45 115.64 113.34 1s97 s THR 239 Ca 0.08 0.49 -0.11 0.00 -1.21 0.00 0.00 61.69 60.93 1s97 s THR 239 Cb -0.13 -3.32 -0.07 0.00 -1.51 0.00 0.00 72.50 67.47 1s97 s THR 239 CO 0.04 -0.04 0.75 -0.60 -2.21 0.00 0.00 174.62 172.56 1s97 s ARG 240 N 4.02 3.82 -0.03 7.08 3.52 -1.26 -5.04 118.95 131.06 1s97 s ARG 240 Ca 0.78 0.49 0.04 0.00 -0.13 0.00 0.00 55.73 56.90 1s97 s ARG 240 Cb -0.37 -2.42 -0.00 0.00 -1.56 0.00 0.00 34.95 30.61 1s97 s ARG 240 CO 0.33 0.02 -0.14 0.08 -0.81 0.00 0.00 175.30 174.79 1s97 s VAL 241 N -2.26 1.14 0.26 7.11 1.01 -1.26 -4.92 120.40 121.48 1s97 s VAL 241 Ca 0.52 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 1s97 s VAL 241 Cb -0.10 -0.99 -0.11 0.00 0.00 0.00 0.00 36.38 35.18 1s97 s VAL 241 CO 0.28 0.34 1.54 -0.13 0.00 0.00 0.00 175.10 177.12 1s97 s ARG 242 N 0.08 4.19 -0.01 2.72 1.81 -1.26 -4.91 118.95 121.57 1s97 s ARG 242 Ca -0.03 2.44 0.10 0.00 -1.72 0.00 0.00 55.73 56.52 1s97 s ARG 242 Cb -0.10 -3.08 -0.15 0.00 -0.45 0.00 0.00 34.95 31.17 1s97 s ARG 242 CO 0.01 -0.55 0.22 1.63 -0.68 0.00 0.00 175.30 175.93 1s97 n LYS 243 N 2.54 0.34 -3.84 3.54 5.02 -1.26 -5.01 118.16 119.49 1s97 n LYS 243 Ca 0.09 -0.09 -0.11 0.00 -2.02 0.00 0.00 58.31 56.17 1s97 n LYS 243 Cb 0.39 -1.23 -0.09 0.00 -0.02 0.00 0.00 35.03 34.07 1s97 n LYS 243 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1s97 s SER 244 N -3.14 -0.02 -0.06 4.39 1.04 -1.26 -3.72 113.70 110.94 1s97 s SER 244 Ca -0.04 -0.21 -0.02 0.00 0.48 0.00 0.00 55.95 56.17 1s97 s SER 244 Cb 0.06 0.26 0.04 0.00 0.10 0.00 0.00 66.02 66.48 1s97 s SER 244 CO 0.42 -0.46 0.12 -0.63 0.98 0.00 0.00 173.24 173.67 1s97 s ILE 245 N -1.82 -0.09 0.27 -1.02 1.01 -0.45 -4.96 121.20 114.14 1s97 s ILE 245 Ca -0.11 0.23 -0.08 0.00 0.00 0.00 0.00 60.65 60.69 1s97 s ILE 245 Cb -0.05 -0.22 0.03 0.00 0.01 0.00 0.00 42.46 42.24 1s97 s ILE 245 CO 0.00 0.09 0.50 0.61 0.00 0.00 0.00 174.94 176.15 1s97 n GLY 246 N 4.45 1.52 3.33 6.18 0.00 -1.26 -0.64 105.19 118.77 1s97 n GLY 246 Ca -0.22 -1.26 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 1s97 n GLY 246 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s97 s ARG 247 N -2.17 0.56 -0.01 1.61 6.06 -0.43 -4.87 118.95 119.71 1s97 s ARG 247 Ca 0.13 0.47 0.02 0.00 -2.50 0.00 0.00 55.73 53.84 1s97 s ARG 247 Cb -0.03 0.27 0.00 0.00 0.06 0.00 0.00 34.95 35.25 1s97 s ARG 247 CO 0.10 -0.09 -0.05 -1.50 -2.50 0.00 0.00 175.30 171.25 1s97 s ILE 248 N -0.08 0.43 0.13 4.11 2.07 -1.26 -0.55 121.20 126.05 1s97 s ILE 248 Ca -0.03 -0.20 0.06 0.00 -1.41 0.00 0.00 60.65 59.07 1s97 s ILE 248 Cb -0.03 -0.39 -0.04 0.00 0.13 0.00 0.00 42.46 42.13 1s97 s ILE 248 CO 0.02 0.14 -0.13 0.68 -1.91 0.00 0.00 174.94 173.74 1s97 s VAL 249 N 0.08 1.31 -0.08 4.00 -7.23 -0.30 -4.95 120.40 113.23 1s97 s VAL 249 Ca -0.00 -1.84 -0.12 0.00 -1.81 0.00 0.00 61.98 58.21 1s97 s VAL 249 Cb -0.05 -1.64 -0.05 0.00 0.56 0.00 0.00 36.38 35.21 1s97 s VAL 249 CO -0.00 -0.51 0.31 -0.89 -0.31 0.00 0.00 175.10 173.69 1s97 s THR 250 N -2.49 5.24 0.34 5.32 2.01 -1.26 -1.28 115.64 123.51 1s97 s THR 250 Ca 0.12 0.59 -0.11 0.00 0.31 0.00 0.00 61.69 62.60 1s97 s THR 250 Cb -0.03 -3.61 -0.07 0.00 0.01 0.00 0.00 72.50 68.80 1s97 s THR 250 CO 0.03 0.53 0.70 -0.04 -0.69 0.00 0.00 174.62 175.14 1s97 s MET 251 N -0.59 3.83 0.47 4.92 -1.94 -0.42 -4.96 119.30 120.62 1s97 s MET 251 Ca 0.19 0.44 0.18 0.00 -1.71 0.00 0.00 55.69 54.79 1s97 s MET 251 Cb -0.14 -2.48 1.18 0.00 2.01 0.00 0.00 34.83 35.40 1s97 s MET 251 CO 0.08 0.11 1.99 0.87 -0.01 0.00 0.00 175.02 178.07 1s97 h LYS 252 N 1.82 0.23 -2.58 2.03 1.57 -1.87 -3.43 116.57 114.34 1s97 h LYS 252 Ca -0.47 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.19 1s97 h LYS 252 Cb 1.18 -0.05 -0.22 0.00 0.08 0.00 0.00 32.23 33.22 1s97 h LYS 252 CO 0.65 0.15 -0.12 -0.98 -0.57 0.00 0.00 179.45 178.59 1s97 s ARG 253 N -5.23 0.68 0.82 3.15 1.70 -1.26 -4.54 118.95 114.28 1s97 s ARG 253 Ca -0.07 0.37 -0.14 0.00 -0.47 0.00 0.00 55.73 55.43 1s97 s ARG 253 Cb 0.20 0.32 0.05 0.00 -0.57 0.00 0.00 34.95 34.95 1s97 s ARG 253 CO 0.74 -0.15 0.88 0.09 -1.08 0.00 0.00 175.30 175.78 1s97 n ASN 254 N 2.06 -0.17 -3.54 -2.89 5.03 -1.26 -4.92 115.26 109.57 1s97 n ASN 254 Ca -0.17 0.53 -0.07 0.00 0.87 0.00 0.00 54.58 55.74 1s97 n ASN 254 Cb 0.56 -1.38 -0.02 0.00 -1.02 0.00 0.00 39.78 37.93 1s97 n ASN 254 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1s97 s SER 255 N -1.97 -0.33 0.00 6.41 0.15 -0.44 -4.89 113.70 112.63 1s97 s SER 255 Ca 0.68 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.26 1s97 s SER 255 Cb -0.29 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1s97 s SER 255 CO 0.56 -0.66 0.65 0.54 1.20 0.00 0.00 173.24 175.54 1s97 n ARG 256 N -0.28 1.12 -2.86 5.44 1.74 -1.26 -0.28 116.66 120.27 1s97 n ARG 256 Ca -0.08 -0.86 -0.43 0.00 -0.77 0.00 0.00 57.85 55.70 1s97 n ARG 256 Cb 0.62 -0.78 -0.04 0.00 -1.02 0.00 0.00 32.46 31.23 1s97 n ARG 256 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1s97 s ASN 257 N -0.42 6.37 0.21 0.55 3.84 -1.26 -4.93 114.94 119.29 1s97 s ASN 257 Ca 0.00 -0.28 -0.20 0.00 0.21 0.00 0.00 52.86 52.59 1s97 s ASN 257 Cb 0.00 -2.43 0.16 0.00 -0.55 0.00 0.00 41.25 38.44 1s97 s ASN 257 CO 0.00 -1.15 1.56 0.25 -2.79 0.00 0.00 177.10 174.97 1s97 h LEU 258 N 10.76 -1.42 -2.73 3.21 6.46 -1.99 0.50 115.31 130.11 1s97 h LEU 258 Ca -0.26 0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1s97 h LEU 258 Cb 1.08 0.71 -0.00 0.00 -0.73 0.00 0.00 40.66 41.72 1s97 h LEU 258 CO 1.06 -0.29 -0.00 -0.33 -0.62 0.00 0.00 178.44 178.25 1s97 h GLU 259 N -0.07 0.00 0.03 1.25 4.39 -2.01 -0.35 114.58 117.82 1s97 h GLU 259 Ca 0.28 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.71 1s97 h GLU 259 Cb 0.57 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 1s97 h GLU 259 CO -0.87 0.00 -1.48 1.49 -1.16 0.00 0.00 179.01 176.99 1s97 h GLU 260 N 0.00 0.06 0.00 2.33 4.81 -0.45 -3.35 114.58 117.98 1s97 h GLU 260 Ca -0.00 -0.10 -0.16 0.00 -0.13 0.00 0.00 59.36 58.97 1s97 h GLU 260 Cb 0.01 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1s97 h GLU 260 CO 0.00 0.79 -0.81 0.82 -0.73 0.00 0.00 179.01 179.08 1s97 h ILE 261 N 0.02 1.21 -0.64 2.32 2.04 -0.18 -3.38 117.51 118.90 1s97 h ILE 261 Ca -0.20 -2.74 0.14 0.00 1.00 0.00 0.00 64.86 63.05 1s97 h ILE 261 Cb 1.94 2.58 -0.11 0.00 -0.74 0.00 0.00 36.82 40.50 1s97 h ILE 261 CO 0.11 0.69 0.00 0.11 0.00 0.00 0.00 178.15 179.06 1s97 h LYS 262 N 0.00 0.11 -0.73 2.37 1.57 -1.24 -2.58 116.57 116.07 1s97 h LYS 262 Ca -0.03 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.83 1s97 h LYS 262 Cb 1.59 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.80 1s97 h LYS 262 CO 0.09 0.08 0.39 -1.35 -0.57 0.00 0.00 179.45 178.09 1s97 h PRO 263 N 0.12 0.65 -0.52 3.15 0.11 -1.80 0.12 132.00 133.83 1s97 h PRO 263 Ca 0.34 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.35 1s97 h PRO 263 Cb 0.55 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 1s97 h PRO 263 CO -0.55 0.43 0.08 1.88 -0.21 0.00 0.00 178.00 179.63 1s97 h TYR 264 N 0.67 0.91 -0.10 0.65 0.05 -1.74 -1.63 116.97 115.79 1s97 h TYR 264 Ca 0.35 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.99 1s97 h TYR 264 Cb 0.33 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 37.82 1s97 h TYR 264 CO -0.09 0.83 0.02 1.25 -1.05 0.00 0.00 178.16 179.12 1s97 h LEU 265 N 0.74 0.15 -1.29 3.88 5.85 -0.99 -1.19 115.31 122.46 1s97 h LEU 265 Ca 0.16 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1s97 h LEU 265 Cb 0.41 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1s97 h LEU 265 CO 0.01 0.37 0.24 -0.26 -0.34 0.00 0.00 178.44 178.46 1s97 h PHE 266 N -0.07 0.72 -0.64 1.25 0.04 -0.76 -0.19 116.94 117.29 1s97 h PHE 266 Ca 0.03 -0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.71 1s97 h PHE 266 Cb 0.28 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.18 1s97 h PHE 266 CO 0.01 0.54 0.14 -0.09 -0.60 0.00 0.00 178.31 178.31 1s97 h ARG 267 N 0.73 1.04 -0.75 1.51 2.43 -1.12 0.17 114.38 118.39 1s97 h ARG 267 Ca 0.18 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1s97 h ARG 267 Cb 0.09 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1s97 h ARG 267 CO -0.02 0.94 0.38 0.00 -1.51 0.00 0.00 179.97 179.76 1s97 h ALA 268 N 1.05 0.96 -0.03 2.80 0.00 -0.27 -1.27 119.26 122.50 1s97 h ALA 268 Ca 0.20 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1s97 h ALA 268 Cb 0.38 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1s97 h ALA 268 CO 0.01 0.51 0.01 0.82 0.00 0.00 0.00 179.25 180.60 1s97 h ILE 269 N 1.05 1.12 -0.38 0.00 2.04 -0.47 -0.10 117.51 120.77 1s97 h ILE 269 Ca 0.26 -0.37 0.04 0.00 1.00 0.00 0.00 64.86 65.79 1s97 h ILE 269 Cb 0.09 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 1s97 h ILE 269 CO -0.04 0.10 0.15 -0.33 0.00 0.00 0.00 178.15 178.04 1s97 h GLU 270 N -0.09 0.31 -0.52 2.37 4.39 -0.76 0.32 114.58 120.60 1s97 h GLU 270 Ca 0.01 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 1s97 h GLU 270 Cb 0.15 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1s97 h GLU 270 CO -0.00 0.21 -0.06 0.93 -1.16 0.00 0.00 179.01 178.93 1s97 h GLU 271 N 0.32 0.92 -0.61 2.33 5.08 -1.20 -2.04 114.58 119.38 1s97 h GLU 271 Ca 0.17 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1s97 h GLU 271 Cb 0.13 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1s97 h GLU 271 CO -0.16 0.94 0.26 0.77 -1.00 0.00 0.00 179.01 179.83 1s97 h SER 272 N 0.84 0.82 0.31 1.42 0.02 -0.15 -1.46 113.55 115.34 1s97 h SER 272 Ca 0.15 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 1s97 h SER 272 Cb 0.57 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1s97 h SER 272 CO 0.03 0.74 -0.36 1.88 -1.14 0.00 0.00 176.83 177.99 1s97 h TYR 273 N 0.84 0.09 -0.24 3.45 0.05 -0.16 0.22 116.97 121.22 1s97 h TYR 273 Ca 0.20 -0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.91 1s97 h TYR 273 Cb 0.17 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 1s97 h TYR 273 CO 0.01 0.43 -0.05 -0.92 -1.05 0.00 0.00 178.16 176.58 1s97 h TYR 274 N 0.07 0.50 -0.38 4.88 3.20 -1.02 -2.85 116.97 121.38 1s97 h TYR 274 Ca 0.01 -0.11 -0.09 0.00 3.14 0.00 0.00 58.73 61.68 1s97 h TYR 274 Cb 0.67 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1s97 h TYR 274 CO 0.00 0.67 -0.15 0.87 -1.64 0.00 0.00 178.16 177.92 1s97 h LYS 275 N 0.19 0.69 -0.47 1.82 1.57 -0.91 -2.96 116.57 116.49 1s97 h LYS 275 Ca 0.06 -0.24 0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1s97 h LYS 275 Cb 0.51 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.70 1s97 h LYS 275 CO 0.02 0.81 0.12 -0.07 -0.57 0.00 0.00 179.45 179.75 1s97 h LEU 276 N 0.62 0.05 -3.13 2.94 3.38 -0.85 -3.48 115.31 114.85 1s97 h LEU 276 Ca 0.10 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1s97 h LEU 276 Cb 0.61 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1s97 h LEU 276 CO 0.04 0.06 -0.19 -0.67 0.09 0.00 0.00 178.44 177.77 1s97 n ASP 277 N -5.08 -7.23 0.00 -0.43 -0.08 -1.09 -2.79 116.55 99.86 1s97 n ASP 277 Ca 0.05 0.92 0.00 0.00 -1.51 0.00 0.00 54.79 54.24 1s97 n ASP 277 Cb 0.22 -1.73 0.00 0.00 2.34 0.00 0.00 41.12 41.95 1s97 n ASP 277 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1s97 n LYS 278 N 2.35 0.00 -2.75 -0.67 4.76 -1.26 -4.93 118.16 115.66 1s97 n LYS 278 Ca -0.02 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.00 1s97 n LYS 278 Cb 0.09 -1.64 -0.03 0.00 -1.84 0.00 0.00 35.03 31.60 1s97 n LYS 278 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1s97 s ARG 279 N 0.00 4.21 -0.30 1.97 0.52 -1.12 -5.02 118.95 119.21 1s97 s ARG 279 Ca 0.00 1.17 -0.16 0.00 -0.52 0.00 0.00 55.73 56.23 1s97 s ARG 279 Cb 0.00 -3.65 -0.03 0.00 0.52 0.00 0.00 34.95 31.80 1s97 s ARG 279 CO 0.00 -0.60 0.40 0.42 0.02 0.00 0.00 175.30 175.54 1s97 s ILE 280 N 3.08 5.14 0.42 1.52 1.09 -1.26 -4.88 121.20 126.31 1s97 s ILE 280 Ca 0.40 0.42 -0.08 0.00 -1.10 0.00 0.00 60.65 60.30 1s97 s ILE 280 Cb -0.15 -3.78 -0.05 0.00 -1.06 0.00 0.00 42.46 37.42 1s97 s ILE 280 CO 0.07 0.03 0.74 -2.16 -0.10 0.00 0.00 174.94 173.53 1s97 s PRO 281 N 2.12 3.66 0.00 2.79 0.04 -1.26 -1.29 135.00 141.06 1s97 s PRO 281 Ca 0.15 0.29 0.04 0.00 0.04 0.00 0.00 61.00 61.52 1s97 s PRO 281 Cb -0.16 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 1s97 s PRO 281 CO 0.11 -0.06 0.24 1.63 0.04 0.00 0.00 177.00 178.96 1s97 n LYS 282 N -1.62 4.80 -4.82 4.56 5.02 -0.75 0.11 118.16 125.47 1s97 n LYS 282 Ca 0.01 -0.10 -0.26 0.00 -2.02 0.00 0.00 58.31 55.94 1s97 n LYS 282 Cb 0.54 -0.75 -0.16 0.00 -0.02 0.00 0.00 35.03 34.64 1s97 n LYS 282 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s97 s ALA 283 N -1.27 1.50 -0.01 7.82 0.00 -0.73 0.21 121.76 129.28 1s97 s ALA 283 Ca 0.02 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.38 1s97 s ALA 283 Cb 0.03 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 1s97 s ALA 283 CO 0.16 0.27 -0.23 -1.50 0.00 0.00 0.00 175.76 174.46 1s97 s ILE 284 N 0.06 1.80 -0.14 0.00 2.07 -0.20 -1.15 121.20 123.63 1s97 s ILE 284 Ca -0.04 -1.01 -0.03 0.00 -1.41 0.00 0.00 60.65 58.16 1s97 s ILE 284 Cb -0.12 -1.50 0.05 0.00 0.13 0.00 0.00 42.46 41.03 1s97 s ILE 284 CO 0.02 0.47 0.05 -2.28 -1.91 0.00 0.00 174.94 171.30 1s97 s HIS 285 N -0.57 0.54 -0.24 3.50 5.65 0.97 -0.31 115.29 124.83 1s97 s HIS 285 Ca 0.09 -0.39 -0.17 0.00 0.25 0.00 0.00 55.06 54.84 1s97 s HIS 285 Cb -0.09 -0.80 -0.03 0.00 -1.18 0.00 0.00 32.58 30.48 1s97 s HIS 285 CO -0.00 -0.47 0.46 0.08 -0.65 0.00 0.00 174.74 174.16 1s97 s VAL 286 N 2.02 5.13 -0.12 0.89 1.01 0.01 0.25 120.40 129.58 1s97 s VAL 286 Ca 0.02 0.78 -0.01 0.00 0.00 0.00 0.00 61.98 62.78 1s97 s VAL 286 Cb -0.15 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1s97 s VAL 286 CO -0.07 0.15 -0.11 -0.69 0.00 0.00 0.00 175.10 174.38 1s97 s VAL 287 N 1.95 3.28 0.05 2.92 1.01 -0.32 -1.82 120.40 127.49 1s97 s VAL 287 Ca 0.20 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1s97 s VAL 287 Cb -0.15 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1s97 s VAL 287 CO 0.09 0.53 -0.19 0.00 0.00 0.00 0.00 175.10 175.53 1s97 s ALA 288 N 0.18 1.61 -0.21 5.51 0.00 0.63 -0.29 121.76 129.20 1s97 s ALA 288 Ca -0.06 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 1s97 s ALA 288 Cb -0.15 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1s97 s ALA 288 CO 0.04 0.34 -0.12 0.08 0.00 0.00 0.00 175.76 176.11 1s97 s VAL 289 N -0.89 2.61 0.99 0.00 1.01 -0.10 -0.75 120.40 123.27 1s97 s VAL 289 Ca 0.06 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 61.01 1s97 s VAL 289 Cb -0.09 -2.21 0.18 0.00 0.00 0.00 0.00 36.38 34.27 1s97 s VAL 289 CO 0.02 0.39 1.14 0.42 0.00 0.00 0.00 175.10 177.08 1s97 s THR 290 N 1.34 1.92 0.60 3.92 -4.23 0.16 0.04 115.64 119.39 1s97 s THR 290 Ca 0.03 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 60.84 1s97 s THR 290 Cb -0.15 -2.68 0.36 0.00 1.34 0.00 0.00 72.50 71.38 1s97 s THR 290 CO -0.08 0.00 2.09 1.05 -0.54 0.00 0.00 174.62 177.14 1s97 h GLU 291 N -1.80 0.00 -0.91 3.99 4.11 -1.42 -0.18 114.58 118.37 1s97 h GLU 291 Ca -0.50 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 58.35 1s97 h GLU 291 Cb 1.31 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.27 1s97 h GLU 291 CO 0.53 0.00 0.52 -0.40 0.07 0.00 0.00 179.01 179.73 1s97 n ASP 292 N -3.73 6.00 -2.29 3.06 5.68 -1.26 -4.90 116.55 119.11 1s97 n ASP 292 Ca 0.02 -3.75 -0.10 0.00 -0.50 0.00 0.00 54.79 50.46 1s97 n ASP 292 Cb 0.34 -0.83 -0.01 0.00 -1.14 0.00 0.00 41.12 39.47 1s97 n ASP 292 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1s97 n LEU 293 N -0.96 -0.89 -4.87 -2.12 4.77 -0.08 -4.94 117.00 107.91 1s97 n LEU 293 Ca 0.57 0.26 -0.32 0.00 -0.03 0.00 0.00 56.01 56.49 1s97 n LEU 293 Cb 0.96 -1.87 -0.05 0.00 -2.33 0.00 0.00 43.42 40.12 1s97 n LEU 293 CO 0.65 -0.16 0.22 -0.62 -1.33 0.00 0.00 177.39 176.15 1s97 s ASP 294 N -2.00 6.62 -0.21 -1.43 3.68 -1.25 -4.82 116.67 117.27 1s97 s ASP 294 Ca 0.00 0.92 -0.04 0.00 2.13 0.00 0.00 52.55 55.56 1s97 s ASP 294 Cb 0.00 -2.22 -0.01 0.00 -1.45 0.00 0.00 42.92 39.23 1s97 s ASP 294 CO 0.00 -0.08 -0.05 -0.63 0.13 0.00 0.00 175.17 174.55 1s97 s ILE 295 N -1.83 3.42 0.12 4.11 1.01 -1.26 0.36 121.20 127.14 1s97 s ILE 295 Ca 0.47 -0.48 0.07 0.00 0.00 0.00 0.00 60.65 60.71 1s97 s ILE 295 Cb -0.11 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1s97 s ILE 295 CO 0.21 0.44 -0.17 0.68 0.00 0.00 0.00 174.94 176.10 1s97 s VAL 296 N 1.28 1.55 0.01 2.92 -7.23 0.07 -5.01 120.40 113.98 1s97 s VAL 296 Ca 0.03 -1.68 -0.26 0.00 -1.81 0.00 0.00 61.98 58.26 1s97 s VAL 296 Cb -0.14 -1.57 0.06 0.00 0.56 0.00 0.00 36.38 35.29 1s97 s VAL 296 CO -0.02 -0.27 0.60 -0.94 -0.31 0.00 0.00 175.10 174.16 1s97 s SER 297 N -2.28 -0.55 -0.03 4.85 1.04 -1.26 -0.27 113.70 115.19 1s97 s SER 297 Ca 0.09 0.43 -0.01 0.00 0.48 0.00 0.00 55.95 56.94 1s97 s SER 297 Cb -0.07 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.59 1s97 s SER 297 CO 0.04 -0.67 0.06 -0.13 0.98 0.00 0.00 173.24 173.52 1s97 s ARG 298 N -1.87 0.02 0.30 4.02 1.81 -0.75 -5.01 118.95 117.48 1s97 s ARG 298 Ca -0.08 0.17 -0.05 0.00 -1.72 0.00 0.00 55.73 54.05 1s97 s ARG 298 Cb -0.01 -0.12 -0.01 0.00 -0.45 0.00 0.00 34.95 34.37 1s97 s ARG 298 CO 0.03 -0.10 0.43 0.20 -0.68 0.00 0.00 175.30 175.19 1s97 s GLY 299 N 0.63 1.26 -0.04 -3.53 0.00 -1.26 -0.81 107.32 103.57 1s97 s GLY 299 Ca -0.05 -1.39 -0.16 0.00 0.00 0.00 0.00 44.72 43.12 1s97 s GLY 299 CO -0.02 -0.96 0.36 -1.60 0.00 0.00 0.00 173.10 170.87 1s97 s ARG 300 N -3.44 0.67 -0.21 2.90 3.52 0.58 -4.98 118.95 117.99 1s97 s ARG 300 Ca 0.30 -0.02 -0.03 0.00 -0.13 0.00 0.00 55.73 55.85 1s97 s ARG 300 Cb 0.01 0.30 -0.01 0.00 -1.56 0.00 0.00 34.95 33.69 1s97 s ARG 300 CO 0.17 -0.17 -0.06 0.99 -0.81 0.00 0.00 175.30 175.41 1s97 s THR 301 N -1.04 3.24 0.34 4.11 2.01 -1.26 -1.03 115.64 122.00 1s97 s THR 301 Ca -0.11 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 61.37 1s97 s THR 301 Cb -0.04 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 1s97 s THR 301 CO 0.04 0.44 0.52 -0.36 -0.69 0.00 0.00 174.62 174.57 1s97 s PHE 302 N 1.33 3.44 -1.98 4.92 0.40 0.13 -4.97 117.98 121.25 1s97 s PHE 302 Ca 0.04 0.23 0.03 0.00 -0.60 0.00 0.00 56.93 56.63 1s97 s PHE 302 Cb -0.14 -1.88 0.08 0.00 0.51 0.00 0.00 43.02 41.59 1s97 s PHE 302 CO -0.03 0.13 1.06 -0.35 0.70 0.00 0.00 175.22 176.73 1s97 n PRO 303 N -1.73 1.22 -3.47 0.24 -0.04 -1.26 -4.81 135.00 125.15 1s97 n PRO 303 Ca -0.05 -0.33 -0.11 0.00 -0.04 0.00 0.00 63.50 62.96 1s97 n PRO 303 Cb 0.57 -1.08 -0.02 0.00 -0.04 0.00 0.00 33.50 32.92 1s97 n PRO 303 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1s97 n HIS 304 N -0.22 -1.30 -2.69 0.54 1.44 -1.26 -5.15 115.22 106.57 1s97 n HIS 304 Ca 0.03 -1.85 -0.35 0.00 -2.01 0.00 0.00 57.72 53.54 1s97 n HIS 304 Cb 0.08 0.46 -0.05 0.00 0.12 0.00 0.00 29.99 30.60 1s97 n HIS 304 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1s97 s GLY 305 N -2.72 2.59 -0.39 -1.39 0.00 -1.26 -4.33 107.32 99.81 1s97 s GLY 305 Ca 0.22 0.54 -0.20 0.00 0.00 0.00 0.00 44.72 45.29 1s97 s GLY 305 CO 0.16 0.90 0.61 -0.42 0.00 0.00 0.00 173.10 174.35 1s97 s ILE 306 N -1.88 4.90 1.06 0.90 1.01 0.31 -4.95 121.20 122.54 1s97 s ILE 306 Ca 0.59 0.32 -0.14 0.00 0.00 0.00 0.00 60.65 61.42 1s97 s ILE 306 Cb -0.16 -4.10 0.22 0.00 0.01 0.00 0.00 42.46 38.43 1s97 s ILE 306 CO 0.20 -0.41 1.10 -0.94 0.00 0.00 0.00 174.94 174.89 1s97 s SER 307 N 1.87 2.14 0.19 3.58 1.04 -1.26 -4.66 113.70 116.59 1s97 s SER 307 Ca 0.22 1.01 -0.09 0.00 0.48 0.00 0.00 55.95 57.57 1s97 s SER 307 Cb -0.15 -1.56 0.09 0.00 0.10 0.00 0.00 66.02 64.50 1s97 s SER 307 CO 0.16 -3.41 1.68 0.50 0.98 0.00 0.00 173.24 173.15 1s97 h LYS 308 N -2.09 1.07 -0.77 4.02 3.64 -1.99 -2.20 116.57 118.25 1s97 h LYS 308 Ca -0.52 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 58.55 1s97 h LYS 308 Cb 1.32 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.98 1s97 h LYS 308 CO 0.52 0.98 0.40 0.93 -2.27 0.00 0.00 179.45 180.01 1s97 h GLU 309 N 0.99 1.10 -0.15 1.90 4.39 -2.00 -0.54 114.58 120.27 1s97 h GLU 309 Ca 0.20 -0.14 -0.07 0.00 0.34 0.00 0.00 59.36 59.69 1s97 h GLU 309 Cb 0.42 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1s97 h GLU 309 CO 0.01 0.83 -0.22 1.15 -1.16 0.00 0.00 179.01 179.62 1s97 h THR 310 N 1.08 1.23 -0.48 1.13 2.02 -1.89 -1.56 112.91 114.43 1s97 h THR 310 Ca 0.27 -1.05 -0.08 0.00 0.77 0.00 0.00 66.41 66.32 1s97 h THR 310 Cb 0.07 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1s97 h THR 310 CO -0.04 0.32 -0.01 0.00 0.37 0.00 0.00 175.52 176.17 1s97 h ALA 311 N 1.53 0.65 0.76 6.16 0.00 -0.60 0.12 119.26 127.88 1s97 h ALA 311 Ca 0.04 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1s97 h ALA 311 Cb 0.53 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1s97 h ALA 311 CO 0.04 0.46 -0.36 1.88 0.00 0.00 0.00 179.25 181.26 1s97 h TYR 312 N 0.71 -0.94 -0.25 0.00 0.05 -0.68 -0.38 116.97 115.48 1s97 h TYR 312 Ca 0.14 -0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.92 1s97 h TYR 312 Cb 0.52 0.31 -0.03 0.00 1.01 0.00 0.00 36.73 38.54 1s97 h TYR 312 CO 0.04 -0.57 0.07 1.03 -1.05 0.00 0.00 178.16 177.67 1s97 h SER 313 N -1.08 0.06 0.54 3.88 0.87 -1.30 -2.75 113.55 113.76 1s97 h SER 313 Ca -0.10 0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.37 1s97 h SER 313 Cb 0.79 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 1s97 h SER 313 CO 0.17 0.07 -0.55 -0.08 -0.53 0.00 0.00 176.83 175.91 1s97 h GLU 314 N 0.18 0.01 -0.18 2.24 4.57 -0.77 -2.86 114.58 117.77 1s97 h GLU 314 Ca 0.11 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.15 1s97 h GLU 314 Cb 0.10 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1s97 h GLU 314 CO -0.13 0.56 -0.45 0.66 -1.18 0.00 0.00 179.01 178.47 1s97 h SER 315 N 0.01 0.47 -0.60 1.04 4.64 -0.91 -1.01 113.55 117.19 1s97 h SER 315 Ca -0.01 -0.22 -0.07 0.00 -0.47 0.00 0.00 61.79 61.03 1s97 h SER 315 Cb 0.98 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.91 1s97 h SER 315 CO 0.07 0.86 0.11 0.58 -0.87 0.00 0.00 176.83 177.58 1s97 h VAL 316 N 0.36 1.26 -0.44 0.95 2.07 -1.38 -1.07 116.25 118.00 1s97 h VAL 316 Ca 0.02 -0.98 -0.11 0.00 0.82 0.00 0.00 66.70 66.46 1s97 h VAL 316 Cb 0.93 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1s97 h VAL 316 CO 0.08 0.36 -0.15 0.11 0.02 0.00 0.00 177.57 177.99 1s97 h LYS 317 N 0.90 0.84 -0.39 1.57 1.57 -1.26 -0.10 116.57 119.69 1s97 h LYS 317 Ca 0.19 -0.31 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 1s97 h LYS 317 Cb 0.41 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1s97 h LYS 317 CO 0.01 0.93 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.54 1s97 h LEU 318 N 0.74 0.77 -0.40 2.94 3.38 -0.96 -1.74 115.31 120.06 1s97 h LEU 318 Ca 0.11 -0.27 -0.15 0.00 0.09 0.00 0.00 57.88 57.66 1s97 h LEU 318 Cb 0.66 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1s97 h LEU 318 CO 0.05 0.97 -0.34 0.25 0.09 0.00 0.00 178.44 179.46 1s97 h LEU 319 N 0.67 0.98 -0.13 1.67 5.85 -0.96 -2.27 115.31 121.13 1s97 h LEU 319 Ca 0.10 -0.45 0.02 0.00 0.84 0.00 0.00 57.88 58.39 1s97 h LEU 319 Cb 0.72 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1s97 h LEU 319 CO 0.06 1.23 -0.01 1.56 -0.34 0.00 0.00 178.44 180.93 1s97 h GLN 320 N 0.75 0.03 -0.75 1.25 4.20 -0.78 -0.41 115.11 119.40 1s97 h GLN 320 Ca 0.07 -0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.91 1s97 h GLN 320 Cb 0.93 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.61 1s97 h GLN 320 CO 0.09 0.02 0.31 -0.22 -0.67 0.00 0.00 178.83 178.36 1s97 h LYS 321 N 0.03 0.46 0.48 1.46 3.64 -1.22 0.41 116.57 121.84 1s97 h LYS 321 Ca 0.06 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1s97 h LYS 321 Cb 0.08 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1s97 h LYS 321 CO -0.11 0.31 -0.25 0.82 -2.27 0.00 0.00 179.45 177.94 1s97 h ILE 322 N 0.48 0.48 -0.33 2.00 2.04 -0.68 -1.87 117.51 119.61 1s97 h ILE 322 Ca 0.40 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.36 1s97 h ILE 322 Cb 0.58 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1s97 h ILE 322 CO -0.38 0.00 0.25 -0.07 0.00 0.00 0.00 178.15 177.95 1s97 h LEU 323 N -0.68 0.00 0.00 1.44 4.07 -0.32 0.33 115.31 120.15 1s97 h LEU 323 Ca -0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1s97 h LEU 323 Cb 0.54 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.28 1s97 h LEU 323 CO 0.09 0.00 -0.20 -0.62 -1.08 0.00 0.00 178.44 176.62 1s97 n GLU 324 N -4.37 0.08 0.00 1.13 1.02 0.06 -3.87 120.64 114.69 1s97 n GLU 324 Ca 0.05 0.05 0.01 0.00 -0.02 0.00 0.00 57.16 57.24 1s97 n GLU 324 Cb 0.42 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1s97 n GLU 324 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1s97 n GLU 325 N -1.70 0.39 -3.68 3.49 1.02 -0.09 -4.95 120.64 115.13 1s97 n GLU 325 Ca 0.06 -0.50 -0.24 0.00 -0.02 0.00 0.00 57.16 56.46 1s97 n GLU 325 Cb 0.37 -0.96 -0.17 0.00 -0.02 0.00 0.00 31.44 30.66 1s97 n GLU 325 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1s97 s ASP 326 N -0.29 2.02 0.58 1.62 -1.08 -0.09 -5.03 116.67 114.40 1s97 s ASP 326 Ca 0.02 -0.38 0.35 0.00 -0.52 0.00 0.00 52.55 52.01 1s97 s ASP 326 Cb 0.01 -0.33 1.75 0.00 -1.46 0.00 0.00 42.92 42.89 1s97 s ASP 326 CO 0.03 -0.29 2.15 -0.33 0.52 0.00 0.00 175.17 177.25 1s97 h GLU 327 N 8.37 0.00 -7.32 4.34 5.08 -1.87 -3.42 114.58 119.76 1s97 h GLU 327 Ca -0.15 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.69 1s97 h GLU 327 Cb 1.13 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.50 1s97 h GLU 327 CO 0.26 0.05 0.33 1.03 -1.00 0.00 0.00 179.01 179.68 1s97 s ARG 328 N -4.04 2.47 0.40 2.33 0.52 -1.26 -5.05 118.95 114.33 1s97 s ARG 328 Ca -0.02 1.11 -0.15 0.00 -0.52 0.00 0.00 55.73 56.15 1s97 s ARG 328 Cb 0.12 -1.93 -0.08 0.00 0.52 0.00 0.00 34.95 33.58 1s97 s ARG 328 CO 0.52 -1.47 0.82 0.15 0.02 0.00 0.00 175.30 175.34 1s97 s LYS 329 N -4.91 3.96 0.11 3.54 1.02 -1.26 -4.88 119.74 117.32 1s97 s LYS 329 Ca 0.60 0.73 -0.12 0.00 0.02 0.00 0.00 55.97 57.21 1s97 s LYS 329 Cb -0.16 -2.33 -0.06 0.00 -0.52 0.00 0.00 37.83 34.76 1s97 s LYS 329 CO 0.55 -0.01 0.47 0.42 -0.92 0.00 0.00 175.35 175.87 1s97 s ILE 330 N -2.25 4.98 -0.09 2.17 -1.09 0.62 -1.12 121.20 124.42 1s97 s ILE 330 Ca 0.55 0.62 0.02 0.00 -2.23 0.00 0.00 60.65 59.61 1s97 s ILE 330 Cb -0.10 -3.68 -0.07 0.00 -1.58 0.00 0.00 42.46 37.03 1s97 s ILE 330 CO 0.23 0.25 -0.07 -1.14 -1.23 0.00 0.00 174.94 172.99 1s97 n ARG 331 N 0.82 0.57 -4.22 2.79 0.63 0.11 -1.33 116.66 116.03 1s97 n ARG 331 Ca -0.06 0.05 -0.17 0.00 -0.92 0.00 0.00 57.85 56.75 1s97 n ARG 331 Cb 0.52 -1.20 -0.13 0.00 0.45 0.00 0.00 32.46 32.10 1s97 n ARG 331 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1s97 s ARG 332 N -2.19 0.64 -0.01 -0.14 0.52 -0.84 -1.30 118.95 115.63 1s97 s ARG 332 Ca -0.12 -0.52 0.01 0.00 -0.52 0.00 0.00 55.73 54.59 1s97 s ARG 332 Cb 0.03 -0.57 -0.00 0.00 0.52 0.00 0.00 34.95 34.94 1s97 s ARG 332 CO 0.24 0.14 -0.04 -1.50 0.02 0.00 0.00 175.30 174.15 1s97 s ILE 333 N -0.67 0.36 0.37 1.52 1.10 -0.40 -0.93 121.20 122.54 1s97 s ILE 333 Ca -0.01 -0.18 -0.10 0.00 -0.51 0.00 0.00 60.65 59.85 1s97 s ILE 333 Cb -0.06 -0.31 0.03 0.00 0.15 0.00 0.00 42.46 42.27 1s97 s ILE 333 CO 0.00 0.11 0.66 -0.83 -2.11 0.00 0.00 174.94 172.77 1s97 s GLY 334 N -0.03 0.86 -0.13 1.50 0.00 0.61 -1.15 107.32 108.99 1s97 s GLY 334 Ca 0.01 -1.09 -0.10 0.00 0.00 0.00 0.00 44.72 43.54 1s97 s GLY 334 CO -0.00 -0.61 0.33 0.54 0.00 0.00 0.00 173.10 173.36 1s97 s VAL 335 N -2.59 -0.01 -0.02 1.40 0.11 0.28 -1.17 120.40 118.41 1s97 s VAL 335 Ca 0.22 0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.36 1s97 s VAL 335 Cb -0.03 -0.47 -0.02 0.00 -1.53 0.00 0.00 36.38 34.33 1s97 s VAL 335 CO 0.15 0.01 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.60 1s97 s ARG 336 N 0.50 1.65 0.04 1.54 0.52 0.14 -1.31 118.95 122.03 1s97 s ARG 336 Ca -0.03 -0.73 0.07 0.00 -0.52 0.00 0.00 55.73 54.53 1s97 s ARG 336 Cb -0.04 -1.60 -0.03 0.00 0.52 0.00 0.00 34.95 33.80 1s97 s ARG 336 CO -0.03 0.44 -0.19 -0.06 0.02 0.00 0.00 175.30 175.48 1s97 s PHE 337 N -0.47 2.53 0.04 -0.53 0.08 0.19 -0.02 117.98 119.78 1s97 s PHE 337 Ca 0.08 -0.28 -0.01 0.00 0.12 0.00 0.00 56.93 56.84 1s97 s PHE 337 Cb -0.08 -1.46 0.00 0.00 -0.57 0.00 0.00 43.02 40.92 1s97 s PHE 337 CO -0.01 0.23 0.06 -1.13 -0.10 0.00 0.00 175.22 174.28 1s97 n SER 338 N 1.59 -0.17 -3.61 1.36 3.41 -0.30 -1.33 113.62 114.57 1s97 n SER 338 Ca -0.16 -1.17 -0.24 0.00 -0.26 0.00 0.00 58.87 57.04 1s97 n SER 338 Cb 0.52 0.29 0.04 0.00 -0.26 0.00 0.00 64.21 64.81 1s97 n SER 338 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1s97 n LYS 339 N -0.05 -2.81 -1.39 4.33 5.02 -1.24 -1.78 118.16 120.24 1s97 n LYS 339 Ca -0.00 0.60 -0.33 0.00 -2.02 0.00 0.00 58.31 56.56 1s97 n LYS 339 Cb 0.06 -4.87 0.09 0.00 -0.02 0.00 0.00 35.03 30.29 1s97 n LYS 339 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1s97 s PHE 340 N -3.54 2.23 -2.19 2.13 0.08 -1.26 -2.28 117.98 113.15 1s97 s PHE 340 Ca 0.29 1.61 0.31 0.00 0.12 0.00 0.00 56.93 59.26 1s97 s PHE 340 Cb -0.08 -3.30 1.59 0.00 -0.57 0.00 0.00 43.02 40.66 1s97 s PHE 340 CO 0.82 -2.24 2.05 -0.89 -0.10 0.00 0.00 175.22 174.85