#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i89 s SER 3 N 0.00 6.27 0.27 4.52 0.15 -1.26 -4.95 113.70 118.70 1i89 s SER 3 Ca 0.00 0.21 0.07 0.00 0.70 0.00 0.00 55.95 56.92 1i89 s SER 3 Cb 0.00 -2.23 0.35 0.00 -1.71 0.00 0.00 66.02 62.44 1i89 s SER 3 CO 0.00 -0.26 1.62 0.58 1.20 0.00 0.00 173.24 176.39 1i89 h VAL 4 N 5.44 1.37 -0.09 4.45 2.07 -2.05 -2.58 116.25 124.86 1i89 h VAL 4 Ca -0.30 -1.84 -0.09 0.00 0.82 0.00 0.00 66.70 65.28 1i89 h VAL 4 Cb 1.15 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 1i89 h VAL 4 CO 0.68 0.54 -0.36 0.77 0.02 0.00 0.00 177.57 179.22 1i89 h SER 5 N 0.14 0.18 -0.43 0.57 4.64 -1.99 0.76 113.55 117.42 1i89 h SER 5 Ca 0.00 -0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.19 1i89 h SER 5 Cb 1.00 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 1i89 h SER 5 CO 0.08 0.53 0.00 -0.33 -0.87 0.00 0.00 176.83 176.25 1i89 h GLU 6 N 0.16 0.76 -0.10 4.77 5.08 -1.93 -1.29 114.58 122.04 1i89 h GLU 6 Ca 0.02 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1i89 h GLU 6 Cb 0.71 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1i89 h GLU 6 CO 0.05 0.83 0.05 0.82 -1.00 0.00 0.00 179.01 179.77 1i89 h ILE 7 N 0.60 1.08 -0.71 3.13 2.04 -1.18 -0.39 117.51 122.08 1i89 h ILE 7 Ca 0.12 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 1i89 h ILE 7 Cb 0.48 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1i89 h ILE 7 CO 0.02 0.07 0.25 -0.09 0.00 0.00 0.00 178.15 178.41 1i89 h ARG 8 N 0.07 1.09 -0.45 2.37 9.65 -0.80 0.10 114.38 126.40 1i89 h ARG 8 Ca 0.03 -0.22 -0.11 0.00 -1.10 0.00 0.00 59.98 58.58 1i89 h ARG 8 Cb 0.07 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.47 1i89 h ARG 8 CO -0.01 0.91 -0.17 -0.22 2.80 0.00 0.00 179.97 183.29 1i89 h LYS 9 N 1.03 0.87 0.00 0.20 3.64 -1.03 -2.64 116.57 118.65 1i89 h LYS 9 Ca 0.23 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1i89 h LYS 9 Cb 0.26 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1i89 h LYS 9 CO -0.01 0.98 0.00 0.00 -2.27 0.00 0.00 179.45 178.14 1i89 h ALA 10 N 1.03 1.00 0.00 5.00 0.00 -0.56 -3.30 119.26 122.43 1i89 h ALA 10 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 1i89 h ALA 10 Cb 0.70 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1i89 h ALA 10 CO 0.05 0.00 -1.23 0.37 0.00 0.00 0.00 179.25 178.44 1i89 h GLN 11 N 0.00 0.00 -6.57 0.00 4.15 -0.62 -3.46 115.11 108.62 1i89 h GLN 11 Ca 0.00 0.00 -0.51 0.00 0.77 0.00 0.00 58.65 58.91 1i89 h GLN 11 Cb 0.75 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.44 1i89 h GLN 11 CO 0.00 0.62 -0.10 -0.98 -1.93 0.00 0.00 178.83 176.44 1i89 s ARG 12 N -2.75 3.62 0.85 1.69 1.70 -1.15 -0.38 118.95 122.52 1i89 s ARG 12 Ca -0.01 0.02 -0.12 0.00 -0.47 0.00 0.00 55.73 55.15 1i89 s ARG 12 Cb 0.09 -2.60 0.13 0.00 -0.57 0.00 0.00 34.95 32.00 1i89 s ARG 12 CO 0.81 0.14 1.21 0.00 -1.08 0.00 0.00 175.30 176.38 1i89 s ALA 13 N -2.21 2.61 -0.18 7.88 0.00 -1.08 -3.94 121.76 124.84 1i89 s ALA 13 Ca 0.44 -1.00 -0.06 0.00 0.00 0.00 0.00 51.96 51.34 1i89 s ALA 13 Cb -0.10 -2.77 -0.09 0.00 0.00 0.00 0.00 23.12 20.16 1i89 s ALA 13 CO 0.32 -1.94 -0.22 -1.91 0.00 0.00 0.00 175.76 172.02 1i89 n GLU 14 N -3.42 0.41 -2.76 0.00 4.07 -1.26 -4.86 120.64 112.81 1i89 n GLU 14 Ca 0.12 0.15 -0.18 0.00 -0.06 0.00 0.00 57.16 57.19 1i89 n GLU 14 Cb 0.60 -1.22 0.07 0.00 -0.06 0.00 0.00 31.44 30.83 1i89 n GLU 14 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1i89 n GLY 15 N 2.05 1.82 3.77 8.31 0.00 -1.26 -5.03 105.19 114.85 1i89 n GLY 15 Ca -0.35 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.06 1i89 n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i89 s PRO 16 N -4.46 4.27 0.21 1.61 0.04 -1.26 -4.54 135.00 130.87 1i89 s PRO 16 Ca 0.56 2.26 -0.32 0.00 0.04 0.00 0.00 61.00 63.55 1i89 s PRO 16 Cb -0.04 -3.02 -0.11 0.00 0.04 0.00 0.00 34.50 31.36 1i89 s PRO 16 CO 0.36 -0.27 1.67 0.00 0.04 0.00 0.00 177.00 178.79 1i89 s ALA 17 N -1.15 3.87 0.01 8.56 0.00 -1.26 -4.43 121.76 127.36 1i89 s ALA 17 Ca 0.50 1.53 0.06 0.00 0.00 0.00 0.00 51.96 54.06 1i89 s ALA 17 Cb -0.41 -3.67 -0.02 0.00 0.00 0.00 0.00 23.12 19.03 1i89 s ALA 17 CO 0.54 -0.89 -0.19 0.99 0.00 0.00 0.00 175.76 176.21 1i89 s THR 18 N 1.00 1.50 -0.16 0.00 2.01 0.15 -1.29 115.64 118.85 1i89 s THR 18 Ca 0.72 -0.93 -0.25 0.00 0.31 0.00 0.00 61.69 61.54 1i89 s THR 18 Cb -0.48 -1.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.75 1i89 s THR 18 CO 0.34 0.32 0.83 -0.63 -0.69 0.00 0.00 174.62 174.79 1i89 s ILE 19 N -0.57 4.89 -0.34 1.82 1.01 0.12 -0.95 121.20 127.17 1i89 s ILE 19 Ca 0.07 1.64 0.08 0.00 0.00 0.00 0.00 60.65 62.43 1i89 s ILE 19 Cb -0.08 -4.14 -0.08 0.00 0.01 0.00 0.00 42.46 38.17 1i89 s ILE 19 CO 0.00 0.04 0.31 0.18 0.00 0.00 0.00 174.94 175.47 1i89 n LEU 20 N 5.14 0.34 -3.60 2.97 4.77 0.19 -0.56 117.00 126.25 1i89 n LEU 20 Ca 0.04 -0.47 -0.10 0.00 -0.03 0.00 0.00 56.01 55.45 1i89 n LEU 20 Cb 0.49 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 1i89 n LEU 20 CO 0.48 0.08 0.74 0.00 -1.33 0.00 0.00 177.39 177.37 1i89 s ALA 21 N -1.77 -1.94 -0.03 -1.18 0.00 -1.23 -4.55 121.76 111.06 1i89 s ALA 21 Ca 0.03 1.68 0.00 0.00 0.00 0.00 0.00 51.96 53.67 1i89 s ALA 21 Cb 0.06 -0.93 0.03 0.00 0.00 0.00 0.00 23.12 22.27 1i89 s ALA 21 CO 0.31 -0.29 0.00 0.42 0.00 0.00 0.00 175.76 176.21 1i89 s ILE 22 N -0.63 0.17 -0.01 0.00 1.01 -1.26 -2.17 121.20 118.31 1i89 s ILE 22 Ca -0.01 0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.76 1i89 s ILE 22 Cb -0.02 -0.27 0.00 0.00 0.01 0.00 0.00 42.46 42.18 1i89 s ILE 22 CO -0.01 0.15 -0.04 -0.83 0.00 0.00 0.00 174.94 174.21 1i89 s GLY 23 N 1.07 0.27 0.29 6.18 0.00 -0.29 -4.64 107.32 110.20 1i89 s GLY 23 Ca -0.09 -0.16 0.07 0.00 0.00 0.00 0.00 44.72 44.54 1i89 s GLY 23 CO -0.02 -0.04 -0.07 -0.51 0.00 0.00 0.00 173.10 172.46 1i89 s THR 24 N 0.10 1.79 0.04 0.90 -4.23 -1.26 -0.01 115.64 112.97 1i89 s THR 24 Ca -0.01 -2.15 -0.25 0.00 -1.18 0.00 0.00 61.69 58.10 1i89 s THR 24 Cb -0.04 -2.46 0.06 0.00 1.34 0.00 0.00 72.50 71.39 1i89 s THR 24 CO -0.00 -0.30 0.58 0.00 -0.54 0.00 0.00 174.62 174.36 1i89 s ALA 25 N -2.92 -1.50 0.01 3.99 0.00 0.80 -4.50 121.76 117.64 1i89 s ALA 25 Ca 0.30 0.77 -0.15 0.00 0.00 0.00 0.00 51.96 52.88 1i89 s ALA 25 Cb 0.03 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.55 1i89 s ALA 25 CO 0.13 -0.52 0.33 -0.80 0.00 0.00 0.00 175.76 174.90 1i89 s ASN 26 N -1.90 -0.19 0.67 0.00 -0.87 -1.26 -1.04 114.94 110.34 1i89 s ASN 26 Ca -0.06 0.01 -0.17 0.00 -1.57 0.00 0.00 52.86 51.07 1i89 s ASN 26 Cb -0.01 0.34 -0.02 0.00 -0.02 0.00 0.00 41.25 41.54 1i89 s ASN 26 CO -0.01 -0.52 0.89 -2.65 -2.57 0.00 0.00 177.10 172.24 1i89 n PRO 27 N 0.98 0.63 0.11 -0.60 -0.02 -1.26 -4.91 135.00 129.92 1i89 n PRO 27 Ca -0.20 0.26 -0.01 0.00 -2.02 0.00 0.00 63.50 61.53 1i89 n PRO 27 Cb 0.57 -2.13 0.24 0.00 -0.02 0.00 0.00 33.50 32.16 1i89 n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i89 h ALA 28 N 0.03 1.14 -1.89 3.55 0.00 -1.98 -3.43 119.26 116.69 1i89 h ALA 28 Ca -0.48 -0.41 -0.58 0.00 0.00 0.00 0.00 54.91 53.45 1i89 h ALA 28 Cb 1.35 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1i89 h ALA 28 CO 0.48 0.58 1.28 1.21 0.00 0.00 0.00 179.25 182.80 1i89 s ASN 29 N -6.88 5.90 -0.24 0.00 2.47 -1.26 -4.95 114.94 109.98 1i89 s ASN 29 Ca -0.04 1.38 -0.11 0.00 0.42 0.00 0.00 52.86 54.51 1i89 s ASN 29 Cb 0.13 -2.53 -0.05 0.00 -1.45 0.00 0.00 41.25 37.36 1i89 s ASN 29 CO 0.76 -1.69 0.19 0.00 -3.72 0.00 0.00 177.10 172.64 1i89 s VAL 31 N 1.13 2.88 0.30 0.00 1.01 0.16 -4.97 120.40 120.91 1i89 s VAL 31 Ca 0.09 -1.13 -0.29 0.00 0.00 0.00 0.00 61.98 60.65 1i89 s VAL 31 Cb -0.14 -2.51 -0.10 0.00 0.00 0.00 0.00 36.38 33.63 1i89 s VAL 31 CO 0.05 0.12 1.19 -1.61 0.00 0.00 0.00 175.10 174.85 1i89 s GLU 32 N 1.30 4.51 0.10 2.72 0.41 -1.26 -1.99 118.70 124.49 1i89 s GLU 32 Ca -0.01 1.99 -0.07 0.00 -0.41 0.00 0.00 54.97 56.47 1i89 s GLU 32 Cb -0.17 -3.14 -0.18 0.00 -1.78 0.00 0.00 34.13 28.86 1i89 s GLU 32 CO -0.04 0.03 1.23 0.37 -0.49 0.00 0.00 175.26 176.36 1i89 h GLN 33 N 3.64 0.44 -0.81 1.61 5.75 -1.05 -2.94 115.11 121.75 1i89 h GLN 33 Ca -0.48 -0.54 0.15 0.00 -0.15 0.00 0.00 58.65 57.64 1i89 h GLN 33 Cb 1.22 0.17 -0.10 0.00 1.07 0.00 0.00 27.48 29.84 1i89 h GLN 33 CO 0.66 1.19 0.37 0.66 -2.65 0.00 0.00 178.83 179.07 1i89 h SER 34 N 0.22 0.40 -0.68 -0.69 4.64 -1.87 -2.37 113.55 113.20 1i89 h SER 34 Ca -0.11 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1i89 h SER 34 Cb 1.73 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 1i89 h SER 34 CO 0.19 0.15 0.00 0.35 -0.87 0.00 0.00 176.83 176.65 1i89 n THR 35 N -4.94 1.20 -0.13 2.95 -2.24 -1.23 -4.59 114.28 105.30 1i89 n THR 35 Ca 0.16 -1.06 -0.11 0.00 -2.27 0.00 0.00 64.05 60.78 1i89 n THR 35 Cb 0.44 0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 69.06 1i89 n THR 35 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1i89 h TYR 36 N 4.05 0.76 -0.70 4.78 3.20 -1.23 -2.74 116.97 125.08 1i89 h TYR 36 Ca 0.00 -0.14 0.14 0.00 3.14 0.00 0.00 58.73 61.87 1i89 h TYR 36 Cb 1.08 -0.19 -0.10 0.00 1.54 0.00 0.00 36.73 39.06 1i89 h TYR 36 CO 0.53 0.79 0.20 -1.35 -1.64 0.00 0.00 178.16 176.69 1i89 h PRO 37 N 0.50 0.30 -0.14 1.82 0.11 -1.81 0.54 132.00 133.33 1i89 h PRO 37 Ca 0.10 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 1i89 h PRO 37 Cb 0.51 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1i89 h PRO 37 CO 0.02 0.20 0.06 -0.44 -0.21 0.00 0.00 178.00 177.64 1i89 h ASP 38 N 0.31 0.19 -0.38 -2.05 3.32 -1.89 -1.34 116.42 114.60 1i89 h ASP 38 Ca 0.39 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 1i89 h ASP 38 Cb 0.62 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 1i89 h ASP 38 CO -0.45 0.29 0.15 0.15 -1.72 0.00 0.00 179.24 177.66 1i89 h PHE 39 N 0.09 0.57 -0.22 4.55 3.57 -0.89 -2.75 116.94 121.85 1i89 h PHE 39 Ca 0.05 -0.04 -0.19 0.00 3.53 0.00 0.00 57.97 61.32 1i89 h PHE 39 Cb 0.15 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1i89 h PHE 39 CO -0.02 0.51 -0.62 -0.92 -2.23 0.00 0.00 178.31 175.04 1i89 h TYR 40 N 0.46 0.98 0.00 0.41 3.20 0.06 -1.21 116.97 120.88 1i89 h TYR 40 Ca 0.13 -0.38 0.00 0.00 3.14 0.00 0.00 58.73 61.62 1i89 h TYR 40 Cb 0.18 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.28 1i89 h TYR 40 CO -0.00 1.18 0.00 0.74 -1.64 0.00 0.00 178.16 178.44 1i89 h PHE 41 N 0.57 0.00 0.00 -3.82 -1.00 -1.26 -2.27 116.94 109.17 1i89 h PHE 41 Ca -0.01 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.64 1i89 h PHE 41 Cb 1.22 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.76 1i89 h PHE 41 CO 0.07 0.00 -0.72 0.87 -1.61 0.00 0.00 178.31 176.92 1i89 h LYS 42 N 0.00 0.00 0.00 1.51 1.57 -1.35 0.23 116.57 118.53 1i89 h LYS 42 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1i89 h LYS 42 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1i89 h LYS 42 CO 0.00 0.99 0.00 0.97 -0.57 0.00 0.00 179.45 180.84 1i89 h ILE 43 N -1.00 0.00 -0.53 1.86 6.09 -1.18 -1.25 117.51 121.50 1i89 h ILE 43 Ca -0.20 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.27 1i89 h ILE 43 Cb 1.17 0.96 0.00 0.00 0.47 0.00 0.00 36.82 39.42 1i89 h ILE 43 CO -0.12 0.00 0.00 0.35 -3.07 0.00 0.00 178.15 175.31 1i89 n THR 44 N -2.99 0.91 -3.73 2.19 -2.24 -0.86 -4.92 114.28 102.64 1i89 n THR 44 Ca -0.03 -0.96 -0.26 0.00 -2.27 0.00 0.00 64.05 60.54 1i89 n THR 44 Cb 0.08 0.58 0.05 0.00 -2.10 0.00 0.00 70.33 68.94 1i89 n THR 44 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1i89 n ASN 45 N 1.17 -5.09 -0.64 3.42 4.13 -0.47 -4.86 115.26 112.92 1i89 n ASN 45 Ca 0.18 -0.67 0.06 0.00 1.68 0.00 0.00 54.58 55.84 1i89 n ASN 45 Cb 0.53 -4.48 0.17 0.00 -1.54 0.00 0.00 39.78 34.46 1i89 n ASN 45 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1i89 n SER 46 N -2.95 1.66 0.29 6.41 7.64 0.79 -4.78 113.62 122.68 1i89 n SER 46 Ca -0.02 -3.45 0.14 0.00 1.01 0.00 0.00 58.87 56.55 1i89 n SER 46 Cb 0.56 -0.47 0.85 0.00 -1.01 0.00 0.00 64.21 64.13 1i89 n SER 46 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1i89 h GLU 47 N 0.81 0.00 -0.53 1.43 4.39 -1.85 -0.88 114.58 117.96 1i89 h GLU 47 Ca -0.03 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 1i89 h GLU 47 Cb 1.14 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.76 1i89 h GLU 47 CO 0.01 0.02 0.10 1.12 -1.16 0.00 0.00 179.01 179.10 1i89 h HIS 48 N 0.00 0.86 -0.47 4.33 2.07 -1.92 -3.38 115.15 116.65 1i89 h HIS 48 Ca -0.00 -0.09 -0.45 0.00 -2.85 0.00 0.00 60.37 56.99 1i89 h HIS 48 Cb 0.04 -0.25 -0.04 0.00 2.57 0.00 0.00 27.41 29.74 1i89 h HIS 48 CO 0.00 0.74 1.49 1.63 -3.07 0.00 0.00 177.93 178.72 1i89 n LYS 49 N -4.26 1.92 -0.04 5.12 5.02 -0.33 -4.75 118.16 120.84 1i89 n LYS 49 Ca 0.04 -2.55 -0.15 0.00 -2.02 0.00 0.00 58.31 53.63 1i89 n LYS 49 Cb 0.24 -3.58 -0.09 0.00 -0.02 0.00 0.00 35.03 31.59 1i89 n LYS 49 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1i89 h THR 50 N 5.78 1.40 -0.57 -0.18 2.02 -1.82 -1.17 112.91 118.36 1i89 h THR 50 Ca 0.30 -1.65 -0.05 0.00 0.77 0.00 0.00 66.41 65.78 1i89 h THR 50 Cb 0.88 2.21 -0.02 0.00 -1.74 0.00 0.00 68.15 69.48 1i89 h THR 50 CO 1.38 0.48 0.18 -0.33 0.37 0.00 0.00 175.52 177.59 1i89 h GLU 51 N -0.09 0.89 -0.45 6.66 5.08 -1.97 -2.23 114.58 122.48 1i89 h GLU 51 Ca -0.01 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1i89 h GLU 51 Cb 0.93 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1i89 h GLU 51 CO 0.06 0.80 0.21 1.25 -1.00 0.00 0.00 179.01 180.34 1i89 h LEU 52 N 0.80 0.59 -1.26 1.33 5.85 -1.94 -1.90 115.31 118.78 1i89 h LEU 52 Ca 0.18 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1i89 h LEU 52 Cb 0.29 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1i89 h LEU 52 CO -0.01 0.56 0.06 0.50 -0.34 0.00 0.00 178.44 179.21 1i89 h LYS 53 N 0.58 0.56 -0.46 1.25 3.64 -1.06 -0.91 116.57 120.17 1i89 h LYS 53 Ca 0.15 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 1i89 h LYS 53 Cb 0.12 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1i89 h LYS 53 CO -0.02 0.54 -0.00 0.93 -2.27 0.00 0.00 179.45 178.63 1i89 h GLU 54 N 0.55 0.77 -0.60 1.90 5.08 -1.06 -1.35 114.58 119.87 1i89 h GLU 54 Ca 0.12 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1i89 h GLU 54 Cb 0.26 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1i89 h GLU 54 CO 0.00 0.78 0.26 0.87 -1.00 0.00 0.00 179.01 179.92 1i89 h LYS 55 N 0.72 0.89 -0.72 2.33 1.57 -0.41 -2.48 116.57 118.47 1i89 h LYS 55 Ca 0.14 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1i89 h LYS 55 Cb 0.44 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1i89 h LYS 55 CO 0.02 0.74 0.32 0.35 -0.57 0.00 0.00 179.45 180.31 1i89 h PHE 56 N 0.83 1.07 -0.55 -1.35 3.57 -0.96 -1.15 116.94 118.40 1i89 h PHE 56 Ca 0.20 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 1i89 h PHE 56 Cb 0.17 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 1i89 h PHE 56 CO 0.01 0.80 0.13 0.37 -2.23 0.00 0.00 178.31 177.39 1i89 h GLN 57 N 1.02 0.84 -0.40 1.11 5.75 -1.07 0.92 115.11 123.28 1i89 h GLN 57 Ca 0.25 -0.17 -0.10 0.00 -0.15 0.00 0.00 58.65 58.47 1i89 h GLN 57 Cb 0.16 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 1i89 h GLN 57 CO -0.03 0.75 -0.15 -0.09 -2.65 0.00 0.00 178.83 176.67 1i89 h ARG 58 N 0.81 0.81 -0.06 1.69 2.43 -1.10 0.25 114.38 119.22 1i89 h ARG 58 Ca 0.18 -0.33 0.03 0.00 -0.81 0.00 0.00 59.98 59.04 1i89 h ARG 58 Cb 0.29 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1i89 h ARG 58 CO -0.00 0.96 -0.11 0.52 -1.51 0.00 0.00 179.97 179.83 1i89 h MET 59 N 0.62 -0.15 -0.53 0.20 2.86 -1.02 -0.12 114.93 116.78 1i89 h MET 59 Ca 0.09 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1i89 h MET 59 Cb 0.69 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 1i89 h MET 59 CO 0.05 -0.10 0.26 0.00 1.06 0.00 0.00 176.91 178.18 1i89 h ASP 61 N 0.71 0.00 0.71 0.00 3.32 -0.05 -2.73 116.42 118.39 1i89 h ASP 61 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1i89 h ASP 61 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1i89 h ASP 61 CO -0.02 0.27 -0.48 0.29 -1.72 0.00 0.00 179.24 177.58 1i89 n LYS 62 N -4.15 0.11 0.25 3.56 5.02 -0.10 -4.35 118.16 118.50 1i89 n LYS 62 Ca -0.02 0.04 0.07 0.00 -2.02 0.00 0.00 58.31 56.37 1i89 n LYS 62 Cb 0.32 -1.57 0.59 0.00 -0.02 0.00 0.00 35.03 34.35 1i89 n LYS 62 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1i89 h SER 63 N 0.00 0.00 -1.08 4.39 4.64 -1.03 -3.46 113.55 117.01 1i89 h SER 63 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1i89 h SER 63 Cb 0.59 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.64 1i89 h SER 63 CO 0.00 0.08 -0.24 0.23 -0.87 0.00 0.00 176.83 176.03 1i89 n MET 64 N -4.41 -0.79 -4.15 4.77 2.81 -1.26 -4.47 117.12 109.62 1i89 n MET 64 Ca -0.03 0.66 -0.34 0.00 -1.81 0.00 0.00 57.70 56.18 1i89 n MET 64 Cb 0.16 -4.68 -0.14 0.00 -0.71 0.00 0.00 33.22 27.85 1i89 n MET 64 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1i89 s ILE 65 N -2.47 3.23 -0.10 2.02 1.01 -1.26 -3.56 121.20 120.07 1i89 s ILE 65 Ca 0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 60.01 1i89 s ILE 65 Cb 0.00 -2.43 -0.28 0.00 0.01 0.00 0.00 42.46 39.76 1i89 s ILE 65 CO 0.00 0.46 0.46 0.11 0.00 0.00 0.00 174.94 175.97 1i89 h LYS 66 N 7.69 0.31 -3.39 2.79 1.57 -0.73 -3.42 116.57 121.38 1i89 h LYS 66 Ca -0.38 -0.53 -0.02 0.00 -1.87 0.00 0.00 60.65 57.85 1i89 h LYS 66 Cb 1.17 0.20 -0.09 0.00 0.08 0.00 0.00 32.23 33.58 1i89 h LYS 66 CO 0.60 1.25 -0.01 -0.98 -0.57 0.00 0.00 179.45 179.74 1i89 s ARG 67 N -2.56 1.45 0.02 3.15 1.70 -1.02 -0.50 118.95 121.19 1i89 s ARG 67 Ca -0.20 -0.99 -0.05 0.00 -0.47 0.00 0.00 55.73 54.01 1i89 s ARG 67 Cb 0.06 0.51 -0.01 0.00 -0.57 0.00 0.00 34.95 34.94 1i89 s ARG 67 CO 0.80 -0.61 0.09 1.03 -1.08 0.00 0.00 175.30 175.52 1i89 s ARG 68 N -3.92 0.50 -0.19 3.89 0.52 -0.84 -2.85 118.95 116.06 1i89 s ARG 68 Ca 0.13 -0.60 -0.11 0.00 -0.52 0.00 0.00 55.73 54.63 1i89 s ARG 68 Cb -0.01 0.20 -0.05 0.00 0.52 0.00 0.00 34.95 35.61 1i89 s ARG 68 CO 0.01 -0.12 0.19 0.71 0.02 0.00 0.00 175.30 176.11 1i89 s TYR 69 N -1.95 3.42 -0.06 -0.53 1.51 -1.26 0.39 117.35 118.87 1i89 s TYR 69 Ca -0.11 0.40 0.01 0.00 -1.01 0.00 0.00 57.07 56.37 1i89 s TYR 69 Cb -0.05 -2.23 0.02 0.00 -0.11 0.00 0.00 41.96 39.59 1i89 s TYR 69 CO -0.02 0.25 -0.08 -1.64 -1.11 0.00 0.00 175.55 172.95 1i89 s MET 70 N 0.47 1.26 0.22 -0.62 -1.94 0.71 -1.23 119.30 118.18 1i89 s MET 70 Ca 0.11 -0.25 -0.08 0.00 -1.71 0.00 0.00 55.69 53.76 1i89 s MET 70 Cb -0.12 -1.16 0.19 0.00 2.01 0.00 0.00 34.83 35.75 1i89 s MET 70 CO 0.00 -0.06 1.85 -0.92 -0.01 0.00 0.00 175.02 175.88 1i89 h TYR 71 N 7.21 1.16 -2.86 -0.03 3.20 -1.92 -3.38 116.97 120.35 1i89 h TYR 71 Ca -0.33 -0.02 -0.53 0.00 3.14 0.00 0.00 58.73 60.98 1i89 h TYR 71 Cb 1.17 -0.37 0.03 0.00 1.54 0.00 0.00 36.73 39.10 1i89 h TYR 71 CO 0.49 0.80 0.85 -0.51 -1.64 0.00 0.00 178.16 178.15 1i89 s LEU 72 N -9.94 4.37 0.42 2.82 1.43 -1.26 -4.98 118.68 111.54 1i89 s LEU 72 Ca -0.13 2.49 0.07 0.00 -1.03 0.00 0.00 54.13 55.53 1i89 s LEU 72 Cb 0.16 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.75 1i89 s LEU 72 CO 0.82 -0.78 0.19 0.42 0.23 0.00 0.00 176.35 177.23 1i89 s THR 73 N 1.42 2.26 0.26 5.49 -4.23 -1.26 -5.00 115.64 114.57 1i89 s THR 73 Ca 0.69 -1.68 -0.05 0.00 -1.18 0.00 0.00 61.69 59.46 1i89 s THR 73 Cb -0.41 -2.94 0.26 0.00 1.34 0.00 0.00 72.50 70.75 1i89 s THR 73 CO 0.31 0.00 1.94 -0.08 -0.54 0.00 0.00 174.62 176.25 1i89 h GLU 74 N 1.38 1.27 -0.42 3.99 4.81 -1.98 0.56 114.58 124.18 1i89 h GLU 74 Ca -0.43 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 58.68 1i89 h GLU 74 Cb 1.26 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 1i89 h GLU 74 CO 0.69 0.84 0.08 1.49 -0.73 0.00 0.00 179.01 181.38 1i89 h GLU 75 N 1.30 0.69 -0.51 1.92 4.81 -1.99 -0.36 114.58 120.44 1i89 h GLU 75 Ca 0.36 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1i89 h GLU 75 Cb -0.14 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.13 1i89 h GLU 75 CO -0.08 0.72 0.21 0.82 -0.73 0.00 0.00 179.01 179.95 1i89 h ILE 76 N 0.55 1.21 -0.35 2.32 2.04 -1.84 -2.72 117.51 118.73 1i89 h ILE 76 Ca 0.13 -0.65 -0.07 0.00 1.00 0.00 0.00 64.86 65.27 1i89 h ILE 76 Cb 0.36 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1i89 h ILE 76 CO 0.01 0.25 -0.06 -0.07 0.00 0.00 0.00 178.15 178.27 1i89 h LEU 77 N 0.69 0.55 -1.39 1.44 3.38 -0.48 -2.28 115.31 117.22 1i89 h LEU 77 Ca 0.17 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1i89 h LEU 77 Cb 0.19 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1i89 h LEU 77 CO -0.01 0.67 -0.20 0.07 0.09 0.00 0.00 178.44 179.05 1i89 h LYS 78 N 0.54 0.00 -0.00 1.13 5.09 -0.88 -1.73 116.57 120.72 1i89 h LYS 78 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.85 1i89 h LYS 78 Cb 0.44 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.77 1i89 h LYS 78 CO 0.02 0.20 -0.14 0.39 -2.09 0.00 0.00 179.45 177.83 1i89 n GLU 79 N -3.49 0.32 -3.34 0.07 1.02 -0.89 -4.49 120.64 109.85 1i89 n GLU 79 Ca -0.01 -0.09 -0.26 0.00 -0.02 0.00 0.00 57.16 56.79 1i89 n GLU 79 Cb 0.37 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.21 1i89 n GLU 79 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1i89 n ASN 80 N -1.26 1.25 0.26 1.62 3.02 -0.65 -4.94 115.26 114.56 1i89 n ASN 80 Ca 0.10 -2.88 0.10 0.00 -0.03 0.00 0.00 54.58 51.87 1i89 n ASN 80 Cb 0.30 -0.64 0.68 0.00 -0.61 0.00 0.00 39.78 39.51 1i89 n ASN 80 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1i89 h PRO 81 N 4.40 0.00 -0.32 3.52 0.13 -1.79 -1.81 132.00 136.13 1i89 h PRO 81 Ca 0.14 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.19 1i89 h PRO 81 Cb 0.82 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.93 1i89 h PRO 81 CO 0.57 0.07 -0.15 -0.91 -0.23 0.00 0.00 178.00 177.35 1i89 h ASN 82 N 0.00 0.56 -0.03 1.44 -0.26 -1.91 -2.19 115.58 113.19 1i89 h ASN 82 Ca -0.00 -0.16 -0.09 0.00 -0.56 0.00 0.00 56.30 55.49 1i89 h ASN 82 Cb 0.14 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 1i89 h ASN 82 CO 0.01 0.73 -0.23 0.58 -1.06 0.00 0.00 177.43 177.46 1i89 h VAL 83 N 0.52 1.25 0.00 2.81 2.07 -1.65 -3.10 116.25 118.15 1i89 h VAL 83 Ca 0.09 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1i89 h VAL 83 Cb 0.56 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1i89 h VAL 83 CO 0.04 0.38 -0.07 0.00 0.02 0.00 0.00 177.57 177.93 1i89 s GLU 85 N -3.09 2.22 0.22 0.00 2.02 -1.01 -2.63 118.70 116.43 1i89 s GLU 85 Ca 0.11 1.00 -0.03 0.00 0.02 0.00 0.00 54.97 56.07 1i89 s GLU 85 Cb 0.14 -1.90 0.21 0.00 0.10 0.00 0.00 34.13 32.67 1i89 s GLU 85 CO 0.60 -1.62 1.61 -0.92 0.02 0.00 0.00 175.26 174.95 1i89 h TYR 86 N -1.11 0.77 -1.47 1.61 3.20 -1.87 -2.33 116.97 115.78 1i89 h TYR 86 Ca -0.45 -0.20 -0.25 0.00 3.14 0.00 0.00 58.73 60.97 1i89 h TYR 86 Cb 1.24 -0.18 -0.24 0.00 1.54 0.00 0.00 36.73 39.09 1i89 h TYR 86 CO 0.55 0.90 -0.61 1.41 -1.64 0.00 0.00 178.16 178.77 1i89 s MET 87 N -4.43 0.87 0.07 1.82 1.75 -1.26 -4.55 119.30 113.57 1i89 s MET 87 Ca -0.08 -0.97 0.06 0.00 -1.25 0.00 0.00 55.69 53.45 1i89 s MET 87 Cb 0.13 -0.40 -0.03 0.00 2.84 0.00 0.00 34.83 37.36 1i89 s MET 87 CO 0.83 -1.27 -0.16 0.00 -0.65 0.00 0.00 175.02 173.77 1i89 s ALA 88 N 1.15 1.33 -0.16 4.11 0.00 -1.26 -5.05 121.76 121.87 1i89 s ALA 88 Ca 0.23 -1.03 -0.35 0.00 0.00 0.00 0.00 51.96 50.81 1i89 s ALA 88 Cb -0.05 -0.15 -0.12 0.00 0.00 0.00 0.00 23.12 22.80 1i89 s ALA 88 CO -0.07 0.22 1.90 -0.35 0.00 0.00 0.00 175.76 177.46 1i89 n PRO 89 N 1.34 1.84 0.00 0.00 -0.04 -1.26 -4.28 135.00 132.60 1i89 n PRO 89 Ca -0.20 0.66 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1i89 n PRO 89 Cb 0.54 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 1i89 n PRO 89 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1i89 n SER 90 N 6.89 0.00 -0.32 3.54 3.41 0.58 -4.83 113.62 122.89 1i89 n SER 90 Ca 0.26 -0.97 -0.02 0.00 -0.26 0.00 0.00 58.87 57.87 1i89 n SER 90 Cb 0.26 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.35 1i89 n SER 90 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1i89 h LEU 91 N 0.00 1.07 -0.60 1.04 5.85 -0.76 -2.11 115.31 119.80 1i89 h LEU 91 Ca 0.00 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1i89 h LEU 91 Cb 0.74 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1i89 h LEU 91 CO 0.00 0.81 0.34 0.44 -0.34 0.00 0.00 178.44 179.69 1i89 h ASP 92 N 1.23 0.74 -0.53 1.25 3.32 -1.93 0.70 116.42 121.20 1i89 h ASP 92 Ca 0.32 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 1i89 h ASP 92 Cb -0.07 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1i89 h ASP 92 CO -0.06 0.61 0.10 0.00 -1.72 0.00 0.00 179.24 178.16 1i89 h ALA 93 N 1.16 0.70 -0.40 3.45 0.00 -1.90 -0.79 119.26 121.48 1i89 h ALA 93 Ca 0.21 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1i89 h ALA 93 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1i89 h ALA 93 CO -0.04 0.43 0.13 0.00 0.00 0.00 0.00 179.25 179.77 1i89 h ARG 94 N 0.76 0.62 -0.50 0.00 3.08 -1.12 -2.22 114.38 115.00 1i89 h ARG 94 Ca 0.16 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1i89 h ARG 94 Cb 0.38 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1i89 h ARG 94 CO 0.01 0.62 0.25 1.96 -1.07 0.00 0.00 179.97 181.74 1i89 h GLN 95 N 0.50 0.71 -0.64 0.04 1.08 -0.75 -1.51 115.11 114.55 1i89 h GLN 95 Ca 0.13 -0.10 0.05 0.00 -1.45 0.00 0.00 58.65 57.28 1i89 h GLN 95 Cb 0.26 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.52 1i89 h GLN 95 CO -0.00 0.59 0.42 -0.44 -0.95 0.00 0.00 178.83 178.45 1i89 h ASP 96 N 0.66 0.60 0.25 1.46 3.32 -0.99 -0.07 116.42 121.66 1i89 h ASP 96 Ca 0.17 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1i89 h ASP 96 Cb 0.10 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1i89 h ASP 96 CO -0.02 0.40 -0.12 0.24 -1.72 0.00 0.00 179.24 178.02 1i89 h MET 97 N 0.69 -0.32 0.00 3.56 2.86 -0.75 -3.36 114.93 117.60 1i89 h MET 97 Ca 0.27 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1i89 h MET 97 Cb 0.18 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1i89 h MET 97 CO -0.08 0.02 -0.02 -0.39 1.06 0.00 0.00 176.91 177.50 1i89 h VAL 98 N -0.75 0.00 0.00 -2.22 -1.51 -0.92 -1.26 116.25 109.59 1i89 h VAL 98 Ca -0.03 -0.98 -0.05 0.00 -1.23 0.00 0.00 66.70 64.41 1i89 h VAL 98 Cb 0.50 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.62 1i89 h VAL 98 CO 0.06 0.00 -0.23 0.58 -1.23 0.00 0.00 177.57 176.75 1i89 h VAL 99 N 0.00 0.78 0.04 7.19 2.07 -1.18 0.12 116.25 125.28 1i89 h VAL 99 Ca 0.00 -0.92 -0.37 0.00 0.82 0.00 0.00 66.70 66.24 1i89 h VAL 99 Cb 0.99 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 1i89 h VAL 99 CO 0.00 0.22 -2.10 0.52 0.02 0.00 0.00 177.57 176.24 1i89 n VAL 100 N -3.71 1.61 0.08 2.57 0.31 -1.16 -4.46 118.33 113.57 1i89 n VAL 100 Ca -0.01 -0.47 -0.05 0.00 -0.01 0.00 0.00 64.34 63.80 1i89 n VAL 100 Cb 0.34 -1.73 0.14 0.00 -0.91 0.00 0.00 33.84 31.68 1i89 n VAL 100 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1i89 h GLU 101 N -0.33 0.24 0.67 5.55 4.57 -1.16 -2.00 114.58 122.13 1i89 h GLU 101 Ca -0.50 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 57.49 1i89 h GLU 101 Cb 1.79 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 30.40 1i89 h GLU 101 CO -0.11 0.74 -0.38 0.28 -1.18 0.00 0.00 179.01 178.36 1i89 h VAL 102 N 0.19 0.22 -0.02 0.32 2.07 -1.20 -0.56 116.25 117.26 1i89 h VAL 102 Ca -0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1i89 h VAL 102 Cb 1.05 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1i89 h VAL 102 CO 0.09 0.00 -0.47 1.55 0.02 0.00 0.00 177.57 178.76 1i89 h PRO 103 N -0.99 0.05 0.46 1.57 0.13 -1.77 -0.33 132.00 131.13 1i89 h PRO 103 Ca -0.09 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.00 1i89 h PRO 103 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1i89 h PRO 103 CO 0.11 0.51 -0.22 -0.09 -0.23 0.00 0.00 178.00 178.07 1i89 h ARG 104 N 0.04 -0.60 -0.69 0.86 2.43 -1.17 -1.43 114.38 113.81 1i89 h ARG 104 Ca -0.00 0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1i89 h ARG 104 Cb 0.84 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 1i89 h ARG 104 CO 0.06 -0.40 0.15 1.25 -1.51 0.00 0.00 179.97 179.52 1i89 h LEU 105 N -0.63 1.06 -1.06 3.80 5.85 -1.09 -2.80 115.31 120.44 1i89 h LEU 105 Ca -0.06 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1i89 h LEU 105 Cb 0.48 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1i89 h LEU 105 CO 0.10 1.03 0.36 1.23 -0.34 0.00 0.00 178.44 180.83 1i89 h GLY 106 N 1.07 1.10 1.43 3.75 0.00 -1.02 -2.01 103.07 107.39 1i89 h GLY 106 Ca 0.21 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1i89 h GLY 106 CO 0.01 0.50 0.13 1.70 0.00 0.00 0.00 176.54 178.87 1i89 h LYS 107 N 1.03 0.72 -0.09 4.80 3.64 -1.02 0.21 116.57 125.87 1i89 h LYS 107 Ca 0.25 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1i89 h LYS 107 Cb 0.08 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1i89 h LYS 107 CO -0.04 0.65 0.03 0.93 -2.27 0.00 0.00 179.45 178.75 1i89 h GLU 108 N 0.70 0.13 -0.32 1.90 5.08 -1.13 0.85 114.58 121.79 1i89 h GLU 108 Ca 0.16 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1i89 h GLU 108 Cb 0.24 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1i89 h GLU 108 CO -0.01 0.25 0.20 0.00 -1.00 0.00 0.00 179.01 178.46 1i89 h ALA 109 N 0.87 0.41 -0.77 3.43 0.00 -1.21 -2.70 119.26 119.29 1i89 h ALA 109 Ca 0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1i89 h ALA 109 Cb 0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1i89 h ALA 109 CO -0.00 -0.11 0.31 0.00 0.00 0.00 0.00 179.25 179.45 1i89 h ALA 110 N 1.10 1.00 -0.81 0.00 0.00 -0.14 -1.74 119.26 118.66 1i89 h ALA 110 Ca 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1i89 h ALA 110 Cb -0.02 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1i89 h ALA 110 CO -0.02 0.63 0.47 0.28 0.00 0.00 0.00 179.25 180.61 1i89 h VAL 111 N 1.12 1.23 -0.10 0.00 2.07 -0.73 -0.95 116.25 118.89 1i89 h VAL 111 Ca 0.26 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1i89 h VAL 111 Cb 0.22 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1i89 h VAL 111 CO -0.02 0.25 0.03 0.11 0.02 0.00 0.00 177.57 177.96 1i89 h LYS 112 N 1.12 0.08 -0.58 1.57 1.57 -1.14 -1.50 116.57 117.69 1i89 h LYS 112 Ca 0.29 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 1i89 h LYS 112 Cb -0.01 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1i89 h LYS 112 CO -0.05 0.05 0.27 0.00 -0.57 0.00 0.00 179.45 179.15 1i89 h ALA 113 N 1.06 0.75 -0.48 3.86 0.00 -0.95 -1.59 119.26 121.91 1i89 h ALA 113 Ca 0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1i89 h ALA 113 Cb 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1i89 h ALA 113 CO -0.05 0.32 0.13 0.82 0.00 0.00 0.00 179.25 180.48 1i89 h ILE 114 N 0.79 1.20 -0.42 0.00 2.04 -1.10 0.21 117.51 120.23 1i89 h ILE 114 Ca 0.20 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 1i89 h ILE 114 Cb 0.13 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1i89 h ILE 114 CO -0.02 0.26 0.06 0.50 0.00 0.00 0.00 178.15 178.95 1i89 h LYS 115 N 0.70 0.71 0.09 2.37 3.64 -1.02 0.89 116.57 123.95 1i89 h LYS 115 Ca 0.16 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1i89 h LYS 115 Cb 0.23 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1i89 h LYS 115 CO -0.01 0.75 -0.04 1.49 -2.27 0.00 0.00 179.45 179.37 1i89 h GLU 116 N 0.56 -0.12 -0.62 1.90 4.81 -0.79 -2.70 114.58 117.63 1i89 h GLU 116 Ca 0.13 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.46 1i89 h GLU 116 Cb 0.39 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.73 1i89 h GLU 116 CO 0.01 -0.08 0.22 2.35 -0.73 0.00 0.00 179.01 180.79 1i89 h TRP 117 N -0.13 0.39 0.00 0.92 7.01 -0.71 -3.47 115.95 119.97 1i89 h TRP 117 Ca -0.01 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.02 1i89 h TRP 117 Cb 0.10 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.08 1i89 h TRP 117 CO -0.07 0.09 0.00 0.41 -2.79 0.00 0.00 178.44 176.07 1i89 n GLY 118 N -1.30 0.80 3.86 2.65 0.00 0.28 -4.86 105.19 106.63 1i89 n GLY 118 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1i89 n GLY 118 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i89 s GLN 119 N -0.17 3.09 0.34 1.61 -1.52 -1.26 -5.06 119.66 116.69 1i89 s GLN 119 Ca 0.00 -0.92 -0.29 0.00 -1.95 0.00 0.00 55.36 52.21 1i89 s GLN 119 Cb 0.00 -2.69 -0.11 0.00 -0.22 0.00 0.00 33.01 29.99 1i89 s GLN 119 CO 0.00 0.43 1.55 -2.14 -0.25 0.00 0.00 175.29 174.88 1i89 s PRO 120 N -3.70 4.10 0.62 2.91 0.02 -1.26 -4.88 135.00 132.81 1i89 s PRO 120 Ca 0.33 2.60 0.39 0.00 0.02 0.00 0.00 61.00 64.34 1i89 s PRO 120 Cb -0.09 -2.98 2.05 0.00 0.02 0.00 0.00 34.50 33.50 1i89 s PRO 120 CO 0.26 -0.60 2.25 1.57 -0.33 0.00 0.00 177.00 180.15 1i89 h LYS 121 N 3.76 0.00 0.00 5.54 2.10 -1.97 -2.24 116.57 123.77 1i89 h LYS 121 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1i89 h LYS 121 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1i89 h LYS 121 CO 0.71 0.01 0.00 -1.13 -2.00 0.00 0.00 179.45 177.04 1i89 n SER 122 N -3.20 0.44 -0.39 7.07 3.41 -1.26 -1.71 113.62 117.99 1i89 n SER 122 Ca -0.02 0.67 0.14 0.00 -0.26 0.00 0.00 58.87 59.40 1i89 n SER 122 Cb 0.14 -0.74 0.60 0.00 -0.26 0.00 0.00 64.21 63.95 1i89 n SER 122 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1i89 n LYS 123 N -2.05 1.53 -2.43 4.33 4.76 -0.84 -4.82 118.16 118.64 1i89 n LYS 123 Ca 0.00 -0.78 -0.43 0.00 -2.87 0.00 0.00 58.31 54.24 1i89 n LYS 123 Cb 0.09 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 31.77 1i89 n LYS 123 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1i89 s ILE 124 N -2.01 4.15 -0.06 -0.18 1.01 -0.69 -4.28 121.20 119.14 1i89 s ILE 124 Ca 0.40 1.29 0.20 0.00 0.00 0.00 0.00 60.65 62.54 1i89 s ILE 124 Cb 0.21 -4.17 -0.31 0.00 0.01 0.00 0.00 42.46 38.20 1i89 s ILE 124 CO 0.34 -0.48 0.46 0.35 0.00 0.00 0.00 174.94 175.61 1i89 n THR 125 N 6.22 0.00 -4.06 2.92 -2.24 -0.03 -4.75 114.28 112.33 1i89 n THR 125 Ca 0.15 -0.45 -0.14 0.00 -2.27 0.00 0.00 64.05 61.34 1i89 n THR 125 Cb 0.47 0.07 -0.13 0.00 -2.10 0.00 0.00 70.33 68.63 1i89 n THR 125 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1i89 s HIS 126 N -3.40 0.42 -0.08 4.78 3.76 -1.12 -1.18 115.29 118.47 1i89 s HIS 126 Ca -0.07 -0.24 -0.01 0.00 -0.15 0.00 0.00 55.06 54.59 1i89 s HIS 126 Cb 0.13 -0.27 0.03 0.00 1.11 0.00 0.00 32.58 33.58 1i89 s HIS 126 CO 0.85 -0.05 -0.03 -1.17 -0.85 0.00 0.00 174.74 173.49 1i89 s LEU 127 N -0.68 0.86 -0.22 0.89 2.96 0.80 -0.52 118.68 122.77 1i89 s LEU 127 Ca -0.04 -0.15 -0.07 0.00 -0.22 0.00 0.00 54.13 53.65 1i89 s LEU 127 Cb -0.05 -0.56 -0.03 0.00 0.50 0.00 0.00 46.19 46.05 1i89 s LEU 127 CO -0.00 -0.15 0.06 -0.63 -1.32 0.00 0.00 176.35 174.30 1i89 s ILE 128 N 1.75 4.40 -0.09 6.68 1.01 -0.24 -1.09 121.20 133.62 1i89 s ILE 128 Ca 0.03 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.56 1i89 s ILE 128 Cb -0.13 -3.02 -0.01 0.00 0.01 0.00 0.00 42.46 39.31 1i89 s ILE 128 CO -0.05 0.39 -0.20 -0.69 0.00 0.00 0.00 174.94 174.38 1i89 s VAL 129 N 1.11 2.42 -0.03 2.92 1.01 -0.39 -0.66 120.40 126.79 1i89 s VAL 129 Ca 0.04 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1i89 s VAL 129 Cb -0.14 -1.94 -0.00 0.00 0.00 0.00 0.00 36.38 34.29 1i89 s VAL 129 CO 0.03 0.56 -0.12 0.00 0.00 0.00 0.00 175.10 175.57 1i89 s THR 131 N 0.05 0.02 -1.21 0.00 -1.32 -0.57 -1.44 115.64 111.18 1i89 s THR 131 Ca -0.02 -0.20 0.13 0.00 -1.21 0.00 0.00 61.69 60.39 1i89 s THR 131 Cb -0.09 -0.97 0.31 0.00 -1.51 0.00 0.00 72.50 70.24 1i89 s THR 131 CO 0.01 -0.11 1.22 0.41 -2.21 0.00 0.00 174.62 173.93 1i89 n THR 132 N 0.44 0.79 -3.92 5.08 -1.04 -1.26 -1.61 114.28 112.76 1i89 n THR 132 Ca -0.18 -0.89 -0.30 0.00 -2.04 0.00 0.00 64.05 60.63 1i89 n THR 132 Cb 0.60 0.66 -0.15 0.00 -1.82 0.00 0.00 70.33 69.62 1i89 n THR 132 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1i89 s SER 133 N -1.02 4.06 0.00 8.00 1.04 -1.26 -4.72 113.70 119.80 1i89 s SER 133 Ca 0.25 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 55.24 1i89 s SER 133 Cb 0.13 -1.22 0.00 0.00 0.10 0.00 0.00 66.02 65.04 1i89 s SER 133 CO 0.18 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.72 1i89 n GLY 134 N 4.62 -2.19 3.25 7.32 0.00 -1.26 -4.78 105.19 112.15 1i89 n GLY 134 Ca -0.07 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 1i89 n GLY 134 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1i89 s VAL 135 N -2.87 0.08 0.07 1.61 -7.23 -1.26 -4.70 120.40 106.10 1i89 s VAL 135 Ca 0.00 -0.67 -0.27 0.00 -1.81 0.00 0.00 61.98 59.23 1i89 s VAL 135 Cb 0.00 -0.91 0.09 0.00 0.56 0.00 0.00 36.38 36.12 1i89 s VAL 135 CO 0.00 -0.37 0.93 -0.62 -0.31 0.00 0.00 175.10 174.74 1i89 s ASP 136 N -1.99 -0.27 -0.04 4.85 2.15 -1.26 -4.98 116.67 115.13 1i89 s ASP 136 Ca -0.06 -0.19 0.00 0.00 0.43 0.00 0.00 52.55 52.74 1i89 s ASP 136 Cb -0.01 0.42 0.03 0.00 -0.30 0.00 0.00 42.92 43.06 1i89 s ASP 136 CO -0.03 -0.74 -0.01 -0.04 -0.17 0.00 0.00 175.17 174.19 1i89 s MET 137 N -3.17 0.47 0.68 4.34 -1.94 -1.26 -3.14 119.30 115.28 1i89 s MET 137 Ca 0.09 0.04 -0.17 0.00 -1.71 0.00 0.00 55.69 53.94 1i89 s MET 137 Cb -0.01 -0.64 -0.07 0.00 2.01 0.00 0.00 34.83 36.12 1i89 s MET 137 CO -0.04 -0.15 0.36 -2.30 -0.01 0.00 0.00 175.02 172.88 1i89 n PRO 138 N 4.27 0.28 -0.50 2.03 -0.02 -1.26 -5.15 135.00 134.65 1i89 n PRO 138 Ca -0.23 0.13 -0.08 0.00 -2.02 0.00 0.00 63.50 61.29 1i89 n PRO 138 Cb 0.50 -1.64 0.06 0.00 -0.02 0.00 0.00 33.50 32.40 1i89 n PRO 138 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i89 n GLY 139 N 1.90 -1.43 0.23 -1.23 0.00 -1.19 -4.86 105.19 98.61 1i89 n GLY 139 Ca 0.09 -1.65 0.15 0.00 0.00 0.00 0.00 46.02 44.62 1i89 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i89 h ALA 140 N -1.98 1.00 -0.41 4.61 0.00 -1.93 0.02 119.26 120.56 1i89 h ALA 140 Ca -0.12 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1i89 h ALA 140 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1i89 h ALA 140 CO 0.08 0.00 -0.31 0.38 0.00 0.00 0.00 179.25 179.41 1i89 h ASP 141 N 0.00 0.95 -0.15 0.00 2.03 -1.92 0.14 116.42 117.46 1i89 h ASP 141 Ca 0.00 -0.40 -0.06 0.00 -0.73 0.00 0.00 57.03 55.84 1i89 h ASP 141 Cb 0.50 -0.26 -0.00 0.00 -0.83 0.00 0.00 39.33 38.73 1i89 h ASP 141 CO 0.00 1.17 -0.14 0.22 -1.03 0.00 0.00 179.24 179.46 1i89 h TYR 142 N 0.76 0.44 -0.40 4.15 3.20 -1.40 -1.79 116.97 121.93 1i89 h TYR 142 Ca 0.08 -0.13 0.04 0.00 3.14 0.00 0.00 58.73 61.86 1i89 h TYR 142 Cb 0.88 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 39.02 1i89 h TYR 142 CO 0.05 0.75 0.18 1.96 -1.64 0.00 0.00 178.16 179.46 1i89 h GLN 143 N 0.00 0.36 -0.01 1.82 1.08 -1.06 -1.64 115.11 115.66 1i89 h GLN 143 Ca 0.03 -0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 1i89 h GLN 143 Cb 0.67 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 1i89 h GLN 143 CO 0.04 0.24 -0.34 -0.07 -0.95 0.00 0.00 178.83 177.74 1i89 h LEU 144 N 0.37 0.02 -0.55 1.46 3.38 -0.70 0.83 115.31 120.11 1i89 h LEU 144 Ca 0.18 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1i89 h LEU 144 Cb 0.11 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1i89 h LEU 144 CO -0.14 0.36 0.29 0.74 0.09 0.00 0.00 178.44 179.78 1i89 h THR 145 N 0.01 1.19 -0.01 0.22 2.02 -0.53 0.14 112.91 115.95 1i89 h THR 145 Ca -0.00 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 1i89 h THR 145 Cb 0.62 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1i89 h THR 145 CO 0.05 0.20 -0.01 0.50 0.37 0.00 0.00 175.52 176.63 1i89 h LYS 146 N 0.73 0.02 -0.81 6.66 3.64 -0.97 -1.71 116.57 124.14 1i89 h LYS 146 Ca 0.19 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1i89 h LYS 146 Cb 0.06 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 1i89 h LYS 146 CO -0.03 0.48 0.41 -0.07 -2.27 0.00 0.00 179.45 177.97 1i89 h LEU 147 N -0.44 1.04 0.00 5.20 3.38 -0.71 -2.56 115.31 121.23 1i89 h LEU 147 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1i89 h LEU 147 Cb 0.48 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1i89 h LEU 147 CO 0.00 0.87 -0.29 0.18 0.09 0.00 0.00 178.44 179.29 1i89 n LEU 148 N -4.37 0.68 -0.72 1.67 4.77 0.02 -4.96 117.00 114.09 1i89 n LEU 148 Ca 0.08 0.39 -0.07 0.00 -0.03 0.00 0.00 56.01 56.38 1i89 n LEU 148 Cb 0.12 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1i89 n LEU 148 CO 0.39 -0.09 -0.08 0.61 -1.33 0.00 0.00 177.39 176.89 1i89 n GLY 149 N 1.35 0.25 3.58 -0.72 0.00 -0.79 -5.02 105.19 103.84 1i89 n GLY 149 Ca 0.05 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 1i89 n GLY 149 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i89 s LEU 150 N -1.85 1.49 0.35 0.99 1.43 -0.71 -4.89 118.68 115.48 1i89 s LEU 150 Ca 0.00 1.59 -0.28 0.00 -1.03 0.00 0.00 54.13 54.41 1i89 s LEU 150 Cb 0.00 -3.69 -0.10 0.00 0.03 0.00 0.00 46.19 42.43 1i89 s LEU 150 CO 0.00 -3.65 1.28 -0.13 0.23 0.00 0.00 176.35 174.08 1i89 s ARG 151 N -4.63 4.29 0.22 1.70 1.81 -1.26 -4.88 118.95 116.20 1i89 s ARG 151 Ca 0.67 2.14 0.19 0.00 -1.72 0.00 0.00 55.73 57.01 1i89 s ARG 151 Cb -0.23 -2.99 0.88 0.00 -0.45 0.00 0.00 34.95 32.16 1i89 s ARG 151 CO 0.61 -0.22 1.57 -0.35 -0.68 0.00 0.00 175.30 176.23 1i89 n PRO 152 N 0.65 0.13 -0.57 3.54 -0.04 -1.26 -1.72 135.00 135.73 1i89 n PRO 152 Ca 0.01 0.50 0.08 0.00 -0.04 0.00 0.00 63.50 64.04 1i89 n PRO 152 Cb 0.43 -1.81 0.31 0.00 -0.04 0.00 0.00 33.50 32.39 1i89 n PRO 152 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1i89 n TYR 153 N -2.07 1.36 -2.00 0.54 0.18 -1.26 -4.92 117.16 108.98 1i89 n TYR 153 Ca 0.01 -0.53 -0.41 0.00 1.88 0.00 0.00 57.90 58.85 1i89 n TYR 153 Cb 0.12 -0.25 -0.02 0.00 -0.38 0.00 0.00 39.34 38.81 1i89 n TYR 153 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1i89 s VAL 154 N -1.90 2.59 -0.29 -3.48 0.11 -0.70 -4.96 120.40 111.78 1i89 s VAL 154 Ca 0.44 0.52 -0.25 0.00 -2.93 0.00 0.00 61.98 59.76 1i89 s VAL 154 Cb 0.29 -3.33 0.00 0.00 -1.53 0.00 0.00 36.38 31.81 1i89 s VAL 154 CO 0.20 0.09 0.87 -0.54 -3.33 0.00 0.00 175.10 172.40 1i89 s LYS 155 N -0.77 4.05 -0.01 1.54 1.02 -0.33 -4.89 119.74 120.36 1i89 s LYS 155 Ca 0.57 0.82 -0.01 0.00 0.02 0.00 0.00 55.97 57.37 1i89 s LYS 155 Cb -0.42 -3.70 -0.04 0.00 -0.52 0.00 0.00 37.83 33.15 1i89 s LYS 155 CO 0.47 -0.68 0.11 1.03 -0.92 0.00 0.00 175.35 175.35 1i89 s ARG 156 N 3.08 3.16 -0.30 1.68 0.52 -1.26 -0.14 118.95 125.70 1i89 s ARG 156 Ca 0.36 -0.44 -0.02 0.00 -0.52 0.00 0.00 55.73 55.11 1i89 s ARG 156 Cb -0.14 -2.92 0.10 0.00 0.52 0.00 0.00 34.95 32.51 1i89 s ARG 156 CO 0.11 0.66 0.12 0.71 0.02 0.00 0.00 175.30 176.91 1i89 s TYR 157 N -1.23 0.99 -0.48 -0.53 1.51 -0.25 -4.95 117.35 112.41 1i89 s TYR 157 Ca 0.24 -1.30 -0.17 0.00 -1.01 0.00 0.00 57.07 54.82 1i89 s TYR 157 Cb -0.12 -1.29 0.06 0.00 -0.11 0.00 0.00 41.96 40.49 1i89 s TYR 157 CO 0.15 -0.85 0.51 1.41 -1.11 0.00 0.00 175.55 175.66 1i89 s MET 158 N 1.85 3.06 -0.52 -0.62 1.75 -1.26 -1.26 119.30 122.31 1i89 s MET 158 Ca 0.09 -1.06 -0.16 0.00 -1.25 0.00 0.00 55.69 53.31 1i89 s MET 158 Cb -0.17 -4.10 0.11 0.00 2.84 0.00 0.00 34.83 33.51 1i89 s MET 158 CO -0.31 -1.10 0.48 -1.64 -0.65 0.00 0.00 175.02 171.80 1i89 s MET 159 N 2.17 2.99 0.13 4.11 -1.94 0.70 -4.99 119.30 122.47 1i89 s MET 159 Ca 0.10 -1.54 0.06 0.00 -1.71 0.00 0.00 55.69 52.60 1i89 s MET 159 Cb -0.21 -4.23 -0.04 0.00 2.01 0.00 0.00 34.83 32.36 1i89 s MET 159 CO 0.10 -1.23 0.01 0.71 -0.01 0.00 0.00 175.02 174.60 1i89 s TYR 160 N 1.70 2.95 -1.41 -0.03 2.02 -1.26 -1.51 117.35 119.81 1i89 s TYR 160 Ca 0.04 -0.07 -0.09 0.00 -0.37 0.00 0.00 57.07 56.58 1i89 s TYR 160 Cb -0.27 -1.47 0.04 0.00 -0.40 0.00 0.00 41.96 39.85 1i89 s TYR 160 CO 0.05 0.50 1.05 0.94 -1.57 0.00 0.00 175.55 176.51 1i89 n GLN 161 N 0.21 -6.65 -0.04 -0.62 -0.06 -0.63 -4.91 117.38 104.69 1i89 n GLN 161 Ca -0.10 0.72 -0.21 0.00 -2.00 0.00 0.00 57.00 55.42 1i89 n GLN 161 Cb 0.53 -5.67 -0.13 0.00 -4.06 0.00 0.00 30.24 20.91 1i89 n GLN 161 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 1i89 h GLN 162 N -2.32 0.14 0.00 3.69 1.08 -1.82 -3.48 115.11 112.40 1i89 h GLN 162 Ca -0.58 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 56.38 1i89 h GLN 162 Cb 1.37 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.89 1i89 h GLN 162 CO 0.60 1.12 0.00 0.41 -0.95 0.00 0.00 178.83 180.00 1i89 n GLY 163 N 1.65 0.93 1.32 3.46 0.00 -1.26 -4.69 105.19 106.59 1i89 n GLY 163 Ca -0.25 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1i89 n GLY 163 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1i89 n PHE 165 N 0.15 0.00 0.81 1.61 1.16 -1.09 -4.18 117.46 115.92 1i89 n PHE 165 Ca 0.00 0.00 0.07 0.00 -1.87 0.00 0.00 57.45 55.65 1i89 n PHE 165 Cb 0.00 -0.29 0.21 0.00 -1.61 0.00 0.00 39.48 37.80 1i89 n PHE 165 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1i89 n ALA 166 N 0.41 2.45 -0.26 1.98 0.00 -1.26 -3.41 120.51 120.42 1i89 n ALA 166 Ca 0.00 -0.67 -0.05 0.00 0.00 0.00 0.00 53.44 52.71 1i89 n ALA 166 Cb 0.00 -0.99 0.09 0.00 0.00 0.00 0.00 19.45 18.55 1i89 n ALA 166 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1i89 h GLY 167 N 5.09 1.21 0.84 0.00 0.00 -1.81 -1.42 103.07 106.99 1i89 h GLY 167 Ca 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.64 1i89 h GLY 167 CO 0.00 0.63 0.03 -1.33 0.00 0.00 0.00 176.54 175.87 1i89 h GLY 168 N 1.12 0.38 0.67 4.60 0.00 -1.86 -3.03 103.07 104.96 1i89 h GLY 168 Ca 0.25 -0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.38 1i89 h GLY 168 CO -0.02 0.24 0.43 -0.84 0.00 0.00 0.00 176.54 176.35 1i89 h THR 169 N 0.15 0.98 -0.01 4.70 2.02 -1.64 0.07 112.91 119.18 1i89 h THR 169 Ca 0.06 -0.27 -0.12 0.00 0.77 0.00 0.00 66.41 66.86 1i89 h THR 169 Cb 0.32 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1i89 h THR 169 CO 0.00 0.14 -0.54 -0.37 0.37 0.00 0.00 175.52 175.13 1i89 h VAL 170 N 0.78 1.38 -0.30 3.16 -1.51 -1.30 -0.15 116.25 118.32 1i89 h VAL 170 Ca 0.33 -1.84 -0.12 0.00 -1.23 0.00 0.00 66.70 63.85 1i89 h VAL 170 Cb 0.20 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.33 1i89 h VAL 170 CO -0.19 0.53 -0.27 -0.07 -1.23 0.00 0.00 177.57 176.34 1i89 h LEU 171 N 0.03 0.75 -0.88 4.19 3.38 -1.31 0.02 115.31 121.49 1i89 h LEU 171 Ca -0.00 -0.46 0.06 0.00 0.09 0.00 0.00 57.88 57.57 1i89 h LEU 171 Cb 0.96 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 1i89 h LEU 171 CO 0.07 1.06 0.55 -0.09 0.09 0.00 0.00 178.44 180.11 1i89 h ARG 172 N 0.46 0.96 0.10 1.13 2.43 -0.47 -0.52 114.38 118.46 1i89 h ARG 172 Ca 0.05 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1i89 h ARG 172 Cb 0.83 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1i89 h ARG 172 CO 0.07 0.64 -0.05 1.25 -1.51 0.00 0.00 179.97 180.37 1i89 h LEU 173 N 0.99 -0.11 -1.40 3.80 5.85 -0.92 -3.22 115.31 120.31 1i89 h LEU 173 Ca 0.39 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1i89 h LEU 173 Cb 0.19 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1i89 h LEU 173 CO -0.18 0.29 -0.24 0.00 -0.34 0.00 0.00 178.44 177.96 1i89 h ALA 174 N 0.32 1.50 -0.03 1.25 0.00 -0.69 -2.06 119.26 119.55 1i89 h ALA 174 Ca -0.01 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1i89 h ALA 174 Cb 0.43 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1i89 h ALA 174 CO 0.02 0.36 -0.29 -0.22 0.00 0.00 0.00 179.25 179.13 1i89 h LYS 175 N 0.08 -0.40 -0.46 0.00 3.64 -1.11 -1.09 116.57 117.23 1i89 h LYS 175 Ca 0.01 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 1i89 h LYS 175 Cb 0.48 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1i89 h LYS 175 CO 0.03 -0.27 -0.06 -0.44 -2.27 0.00 0.00 179.45 176.45 1i89 h ASP 176 N -0.42 0.78 -0.33 4.20 3.32 -1.41 -1.75 116.42 120.80 1i89 h ASP 176 Ca 0.07 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1i89 h ASP 176 Cb 0.52 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1i89 h ASP 176 CO -0.27 0.88 0.20 -0.07 -1.72 0.00 0.00 179.24 178.26 1i89 h LEU 177 N 0.73 0.39 -0.28 1.55 3.38 -1.24 -2.00 115.31 117.85 1i89 h LEU 177 Ca 0.13 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 1i89 h LEU 177 Cb 0.53 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1i89 h LEU 177 CO 0.03 0.32 -0.61 0.00 0.09 0.00 0.00 178.44 178.27 1i89 h ALA 178 N 1.09 0.44 0.00 1.53 0.00 -1.15 -3.16 119.26 118.01 1i89 h ALA 178 Ca 0.12 -0.54 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 1i89 h ALA 178 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1i89 h ALA 178 CO -0.02 0.68 -0.55 0.93 0.00 0.00 0.00 179.25 180.29 1i89 h GLU 179 N 0.62 0.00 -0.02 0.00 5.08 -1.29 -3.13 114.58 115.83 1i89 h GLU 179 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i89 h GLU 179 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1i89 h GLU 179 CO 0.13 0.55 -0.13 -1.71 -1.00 0.00 0.00 179.01 176.85 1i89 n ASN 180 N -3.59 2.01 -3.73 1.42 5.15 -0.75 -2.64 115.26 113.12 1i89 n ASN 180 Ca -0.00 -1.56 -0.28 0.00 -0.60 0.00 0.00 54.58 52.13 1i89 n ASN 180 Cb 0.62 0.11 -0.16 0.00 -0.53 0.00 0.00 39.78 39.82 1i89 n ASN 180 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1i89 s ASN 181 N -2.18 3.07 0.15 1.20 0.01 -1.18 -4.07 114.94 111.95 1i89 s ASN 181 Ca 0.29 -0.93 -0.33 0.00 -0.71 0.00 0.00 52.86 51.17 1i89 s ASN 181 Cb 0.20 -0.63 -0.13 0.00 0.41 0.00 0.00 41.25 41.09 1i89 s ASN 181 CO 0.40 -0.32 1.63 1.17 -1.51 0.00 0.00 177.10 178.47 1i89 n LYS 182 N 5.02 2.29 0.00 -0.60 4.81 0.49 -1.58 118.16 128.59 1i89 n LYS 182 Ca -0.08 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 1i89 n LYS 182 Cb 0.46 -2.62 0.00 0.00 0.02 0.00 0.00 35.03 32.89 1i89 n LYS 182 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i89 n GLY 183 N 3.61 2.80 3.77 3.14 0.00 -1.26 -4.92 105.19 112.32 1i89 n GLY 183 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1i89 n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i89 s ALA 184 N -2.82 3.58 -0.13 4.61 0.00 -0.61 -4.90 121.76 121.49 1i89 s ALA 184 Ca 0.00 1.46 -0.01 0.00 0.00 0.00 0.00 51.96 53.42 1i89 s ALA 184 Cb 0.00 -3.57 0.04 0.00 0.00 0.00 0.00 23.12 19.58 1i89 s ALA 184 CO 0.00 -0.90 -0.04 1.03 0.00 0.00 0.00 175.76 175.85 1i89 s ARG 185 N -1.59 1.24 -0.23 0.00 1.81 -1.26 -4.27 118.95 114.65 1i89 s ARG 185 Ca 0.54 -0.31 -0.09 0.00 -1.72 0.00 0.00 55.73 54.15 1i89 s ARG 185 Cb -0.44 -1.69 -0.04 0.00 -0.45 0.00 0.00 34.95 32.32 1i89 s ARG 185 CO 0.56 -0.38 0.12 0.08 -0.68 0.00 0.00 175.30 175.00 1i89 s VAL 186 N 1.74 4.99 -0.16 3.52 1.01 0.56 -0.85 120.40 131.21 1i89 s VAL 186 Ca 0.03 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 1i89 s VAL 186 Cb -0.14 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1i89 s VAL 186 CO -0.07 0.37 0.36 -0.22 0.00 0.00 0.00 175.10 175.54 1i89 s LEU 187 N 1.02 4.24 -0.15 3.92 2.96 0.32 -0.62 118.68 130.37 1i89 s LEU 187 Ca 0.06 0.59 -0.00 0.00 -0.22 0.00 0.00 54.13 54.55 1i89 s LEU 187 Cb -0.14 -2.48 -0.01 0.00 0.50 0.00 0.00 46.19 44.06 1i89 s LEU 187 CO 0.04 0.04 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.29 1i89 s VAL 188 N 0.66 2.92 -0.12 1.68 1.01 0.11 -1.08 120.40 125.58 1i89 s VAL 188 Ca 0.19 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1i89 s VAL 188 Cb -0.14 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 34.02 1i89 s VAL 188 CO 0.06 0.51 -0.10 -0.69 0.00 0.00 0.00 175.10 174.88 1i89 s VAL 189 N 0.69 1.21 -0.17 2.92 1.01 0.17 -0.75 120.40 125.48 1i89 s VAL 189 Ca -0.06 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 1i89 s VAL 189 Cb -0.15 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1i89 s VAL 189 CO 0.02 0.40 -0.05 0.00 0.00 0.00 0.00 175.10 175.47 1i89 s SER 191 N 0.70 0.82 -0.11 0.00 0.15 -0.52 -0.94 113.70 113.81 1i89 s SER 191 Ca -0.02 0.29 0.01 0.00 0.70 0.00 0.00 55.95 56.92 1i89 s SER 191 Cb -0.15 0.22 0.02 0.00 -1.71 0.00 0.00 66.02 64.41 1i89 s SER 191 CO 0.02 -0.25 -0.10 -1.61 1.20 0.00 0.00 173.24 172.50 1i89 s GLU 192 N 2.28 1.74 -0.11 5.44 0.41 -0.32 -4.42 118.70 123.72 1i89 s GLU 192 Ca 0.03 -0.36 0.02 0.00 -0.41 0.00 0.00 54.97 54.25 1i89 s GLU 192 Cb -0.12 -1.65 0.02 0.00 -1.78 0.00 0.00 34.13 30.60 1i89 s GLU 192 CO -0.06 -0.17 -0.15 0.08 -0.49 0.00 0.00 175.26 174.47 1i89 s VAL 193 N 1.36 1.47 -1.96 2.63 1.01 -1.26 -1.51 120.40 122.14 1i89 s VAL 193 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1i89 s VAL 193 Cb -0.14 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.90 1i89 s VAL 193 CO -0.05 0.44 0.87 0.35 0.00 0.00 0.00 175.10 176.70 1i89 n THR 194 N 4.24 0.00 0.31 3.92 -2.24 -1.26 -3.94 114.28 115.30 1i89 n THR 194 Ca -0.19 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 61.78 1i89 n THR 194 Cb 0.51 -0.07 0.93 0.00 -2.10 0.00 0.00 70.33 69.60 1i89 n THR 194 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i89 h ALA 195 N 2.73 1.00 0.00 6.98 0.00 -1.95 -1.12 119.26 126.91 1i89 h ALA 195 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i89 h ALA 195 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1i89 h ALA 195 CO 0.00 0.00 -0.67 0.28 0.00 0.00 0.00 179.25 178.86 1i89 h VAL 196 N 0.00 0.00 0.00 0.00 2.07 -1.87 -3.37 116.25 113.07 1i89 h VAL 196 Ca 0.00 -0.77 -0.18 0.00 0.82 0.00 0.00 66.70 66.56 1i89 h VAL 196 Cb 0.20 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1i89 h VAL 196 CO 0.00 0.00 -2.03 0.35 0.02 0.00 0.00 177.57 175.91 1i89 n THR 197 N -2.49 0.68 -1.65 2.57 -2.24 -0.71 -0.77 114.28 109.66 1i89 n THR 197 Ca 0.02 -0.59 -0.46 0.00 -2.27 0.00 0.00 64.05 60.75 1i89 n THR 197 Cb 0.50 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 1i89 n THR 197 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1i89 n PHE 198 N -2.42 2.06 -3.54 4.78 -0.00 -0.50 -4.90 117.46 112.93 1i89 n PHE 198 Ca -0.18 0.43 -0.09 0.00 -0.00 0.00 0.00 57.45 57.61 1i89 n PHE 198 Cb 0.81 -2.46 -0.02 0.00 -0.00 0.00 0.00 39.48 37.82 1i89 n PHE 198 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.76 175.78 1i89 s ARG 199 N 0.04 1.08 1.09 -4.13 1.70 -1.26 -4.82 118.95 112.65 1i89 s ARG 199 Ca 0.73 -0.45 -0.13 0.00 -0.47 0.00 0.00 55.73 55.41 1i89 s ARG 199 Cb -0.70 0.46 0.24 0.00 -0.57 0.00 0.00 34.95 34.38 1i89 s ARG 199 CO 0.46 -0.48 1.06 0.20 -1.08 0.00 0.00 175.30 175.47 1i89 s GLY 200 N -2.66 1.55 0.34 3.88 0.00 -0.88 -4.89 107.32 104.66 1i89 s GLY 200 Ca 0.05 -0.34 -0.10 0.00 0.00 0.00 0.00 44.72 44.33 1i89 s GLY 200 CO -0.07 0.35 0.69 2.56 0.00 0.00 0.00 173.10 176.62 1i89 s PRO 201 N -4.79 3.81 -0.08 2.90 0.04 -1.26 -4.34 135.00 131.27 1i89 s PRO 201 Ca 0.67 0.41 -0.04 0.00 0.04 0.00 0.00 61.00 62.08 1i89 s PRO 201 Cb -0.21 -2.48 0.04 0.00 0.04 0.00 0.00 34.50 31.89 1i89 s PRO 201 CO 0.60 0.10 0.18 0.45 0.04 0.00 0.00 177.00 178.38 1i89 s SER 202 N -2.84 -0.17 0.00 6.66 0.15 -1.26 -4.79 113.70 111.45 1i89 s SER 202 Ca 0.50 0.38 0.19 0.00 0.70 0.00 0.00 55.95 57.72 1i89 s SER 202 Cb -0.10 0.28 0.93 0.00 -1.71 0.00 0.00 66.02 65.41 1i89 s SER 202 CO 0.26 -0.14 1.58 -0.90 1.20 0.00 0.00 173.24 175.24 1i89 n ASP 203 N 4.08 0.00 -0.70 5.45 5.68 -1.26 -1.45 116.55 128.34 1i89 n ASP 203 Ca -0.25 0.09 0.12 0.00 -0.50 0.00 0.00 54.79 54.26 1i89 n ASP 203 Cb 0.53 -0.32 0.15 0.00 -1.14 0.00 0.00 41.12 40.34 1i89 n ASP 203 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1i89 n THR 204 N -1.32 0.00 -3.38 2.12 -2.24 -1.26 -4.60 114.28 103.60 1i89 n THR 204 Ca 0.08 -0.37 -0.26 0.00 -2.27 0.00 0.00 64.05 61.24 1i89 n THR 204 Cb 0.16 1.21 -0.09 0.00 -2.10 0.00 0.00 70.33 69.51 1i89 n THR 204 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1i89 n HIS 205 N 0.63 0.72 0.21 4.78 8.25 -0.53 -4.95 115.22 124.33 1i89 n HIS 205 Ca 0.13 -3.70 0.10 0.00 -0.26 0.00 0.00 57.72 53.99 1i89 n HIS 205 Cb 0.51 -0.26 0.28 0.00 1.12 0.00 0.00 29.99 31.64 1i89 n HIS 205 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1i89 h LEU 206 N 4.64 0.00 -0.33 2.41 3.38 -1.82 -2.58 115.31 121.02 1i89 h LEU 206 Ca 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1i89 h LEU 206 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1i89 h LEU 206 CO 0.54 0.16 0.12 -2.24 0.09 0.00 0.00 178.44 177.11 1i89 h ASP 207 N 0.00 0.48 -0.88 -0.43 2.03 -1.90 -0.81 116.42 114.91 1i89 h ASP 207 Ca -0.00 -0.19 -0.00 0.00 -0.73 0.00 0.00 57.03 56.11 1i89 h ASP 207 Cb 0.96 -0.12 -0.04 0.00 -0.83 0.00 0.00 39.33 39.29 1i89 h ASP 207 CO 0.02 0.54 0.55 -1.28 -1.03 0.00 0.00 179.24 178.04 1i89 h SER 208 N 0.39 1.04 -0.74 4.15 0.87 -1.53 -2.30 113.55 115.42 1i89 h SER 208 Ca 0.11 -0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1i89 h SER 208 Cb 0.23 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 1i89 h SER 208 CO -0.01 0.78 0.31 0.25 -0.53 0.00 0.00 176.83 177.64 1i89 h LEU 209 N 1.21 1.00 -0.96 2.23 5.85 -1.27 -2.47 115.31 120.89 1i89 h LEU 209 Ca 0.32 -0.16 0.11 0.00 0.84 0.00 0.00 57.88 58.98 1i89 h LEU 209 Cb -0.08 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 40.61 1i89 h LEU 209 CO -0.06 0.89 0.59 0.58 -0.34 0.00 0.00 178.44 180.10 1i89 h VAL 210 N 1.05 0.94 -0.96 1.05 2.07 -0.57 -0.68 116.25 119.15 1i89 h VAL 210 Ca 0.25 -0.33 0.12 0.00 0.82 0.00 0.00 66.70 67.55 1i89 h VAL 210 Cb 0.19 -0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 29.77 1i89 h VAL 210 CO -0.02 0.18 0.61 1.23 0.02 0.00 0.00 177.57 179.58 1i89 h GLY 211 N 0.97 1.47 2.00 2.17 0.00 -1.30 -1.76 103.07 106.61 1i89 h GLY 211 Ca 0.47 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 1i89 h GLY 211 CO -0.25 0.17 -0.15 1.46 0.00 0.00 0.00 176.54 177.76 1i89 h GLN 212 N 0.92 0.00 0.00 4.80 1.08 -1.02 -1.98 115.11 118.91 1i89 h GLN 212 Ca 0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.67 1i89 h GLN 212 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1i89 h GLN 212 CO -0.23 0.15 -0.77 0.00 -0.95 0.00 0.00 178.83 177.03 1i89 h ALA 213 N 1.85 0.60 0.00 3.87 0.00 -1.16 -3.42 119.26 121.00 1i89 h ALA 213 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1i89 h ALA 213 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1i89 h ALA 213 CO 0.02 0.00 -1.87 1.28 0.00 0.00 0.00 179.25 178.68 1i89 n LEU 214 N -2.67 2.97 -4.73 0.00 4.77 -0.83 -4.93 117.00 111.58 1i89 n LEU 214 Ca 0.01 -0.08 -0.41 0.00 -0.03 0.00 0.00 56.01 55.50 1i89 n LEU 214 Cb 0.53 -0.53 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1i89 n LEU 214 CO 0.38 0.75 0.68 -0.36 -1.33 0.00 0.00 177.39 177.52 1i89 s PHE 215 N -2.31 3.79 0.36 -1.77 0.40 -0.81 -1.11 117.98 116.54 1i89 s PHE 215 Ca -0.21 1.78 0.04 0.00 -0.60 0.00 0.00 56.93 57.94 1i89 s PHE 215 Cb 0.05 -3.08 -0.03 0.00 0.51 0.00 0.00 43.02 40.47 1i89 s PHE 215 CO 0.35 0.12 0.13 0.20 0.70 0.00 0.00 175.22 176.72 1i89 s GLY 216 N -0.03 2.35 0.01 4.36 0.00 -0.17 -4.85 107.32 109.00 1i89 s GLY 216 Ca 0.47 -1.55 -0.00 0.00 0.00 0.00 0.00 44.72 43.64 1i89 s GLY 216 CO 0.30 -1.74 0.11 0.99 0.00 0.00 0.00 173.10 172.76 1i89 s ASP 217 N -3.51 5.86 0.00 1.64 1.11 -0.36 -4.17 116.67 117.24 1i89 s ASP 217 Ca 0.30 0.18 0.00 0.00 0.18 0.00 0.00 52.55 53.21 1i89 s ASP 217 Cb 0.04 -1.72 0.00 0.00 1.07 0.00 0.00 42.92 42.31 1i89 s ASP 217 CO 0.16 0.25 0.00 0.61 1.18 0.00 0.00 175.17 177.37 1i89 n GLY 218 N 0.97 1.20 3.17 0.21 0.00 -0.57 -4.54 105.19 105.63 1i89 n GLY 218 Ca -0.11 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 1i89 n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i89 s ALA 219 N -2.00 1.31 0.01 4.61 0.00 -0.21 -1.17 121.76 124.30 1i89 s ALA 219 Ca 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.10 1i89 s ALA 219 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1i89 s ALA 219 CO 0.00 0.26 -0.07 0.00 0.00 0.00 0.00 175.76 175.95 1i89 s ALA 220 N -0.85 0.58 0.04 0.00 0.00 -0.12 -0.14 121.76 121.26 1i89 s ALA 220 Ca 0.03 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 51.65 1i89 s ALA 220 Cb -0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1i89 s ALA 220 CO 0.01 0.11 -0.17 0.00 0.00 0.00 0.00 175.76 175.71 1i89 s ALA 221 N -0.42 1.44 0.13 0.00 0.00 0.98 -1.27 121.76 122.62 1i89 s ALA 221 Ca 0.00 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.11 1i89 s ALA 221 Cb -0.04 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1i89 s ALA 221 CO -0.00 0.31 -0.13 -0.51 0.00 0.00 0.00 175.76 175.42 1i89 s LEU 222 N -1.07 2.43 -0.17 0.00 1.43 0.07 -1.14 118.68 120.23 1i89 s LEU 222 Ca 0.05 -0.85 -0.01 0.00 -1.03 0.00 0.00 54.13 52.29 1i89 s LEU 222 Cb -0.08 -0.51 -0.00 0.00 0.03 0.00 0.00 46.19 45.63 1i89 s LEU 222 CO 0.01 -0.18 -0.13 -0.63 0.23 0.00 0.00 176.35 175.65 1i89 s ILE 223 N -2.37 2.80 -0.04 -0.59 -1.09 -0.92 -0.72 121.20 118.27 1i89 s ILE 223 Ca 0.10 -0.71 0.06 0.00 -2.23 0.00 0.00 60.65 57.87 1i89 s ILE 223 Cb -0.03 -2.20 -0.01 0.00 -1.58 0.00 0.00 42.46 38.63 1i89 s ILE 223 CO 0.03 0.50 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.33 1i89 s VAL 224 N 0.93 1.77 0.09 2.92 1.01 0.21 -0.64 120.40 126.70 1i89 s VAL 224 Ca -0.03 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 60.78 1i89 s VAL 224 Cb -0.15 -1.50 0.08 0.00 0.00 0.00 0.00 36.38 34.81 1i89 s VAL 224 CO -0.01 0.50 0.66 -0.83 0.00 0.00 0.00 175.10 175.42 1i89 s GLY 225 N -0.17 -0.58 0.26 4.51 0.00 -0.13 -0.32 107.32 110.88 1i89 s GLY 225 Ca -0.01 0.75 0.04 0.00 0.00 0.00 0.00 44.72 45.50 1i89 s GLY 225 CO 0.02 0.35 0.39 -0.56 0.00 0.00 0.00 173.10 173.30 1i89 s SER 226 N -2.39 6.32 -1.13 1.64 0.01 -1.26 0.31 113.70 117.20 1i89 s SER 226 Ca -0.01 0.14 -0.07 0.00 1.31 0.00 0.00 55.95 57.32 1i89 s SER 226 Cb -0.01 -1.89 -0.04 0.00 0.21 0.00 0.00 66.02 64.29 1i89 s SER 226 CO -0.08 -0.10 0.88 0.47 0.41 0.00 0.00 173.24 174.82 1i89 n ASP 227 N -1.45 -4.84 -4.72 2.44 8.00 -1.26 -4.80 116.55 109.92 1i89 n ASP 227 Ca -0.08 -0.77 -0.37 0.00 0.71 0.00 0.00 54.79 54.28 1i89 n ASP 227 Cb 0.57 -4.71 0.06 0.00 -0.02 0.00 0.00 41.12 37.02 1i89 n ASP 227 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1i89 n PRO 228 N -3.71 1.23 -2.65 -0.24 -0.02 -1.26 -4.93 135.00 123.43 1i89 n PRO 228 Ca -0.14 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 61.38 1i89 n PRO 228 Cb 0.63 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 1i89 n PRO 228 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1i89 s VAL 229 N -1.37 4.43 0.02 -1.45 1.01 -1.26 -4.95 120.40 116.83 1i89 s VAL 229 Ca 0.79 1.52 -0.37 0.00 0.00 0.00 0.00 61.98 63.92 1i89 s VAL 229 Cb -0.39 -4.46 -0.16 0.00 0.00 0.00 0.00 36.38 31.36 1i89 s VAL 229 CO 0.43 -0.64 1.48 -2.65 0.00 0.00 0.00 175.10 173.71 1i89 n PRO 230 N 7.15 1.34 -1.28 2.72 -0.02 -1.26 -1.16 135.00 142.48 1i89 n PRO 230 Ca 0.11 0.49 -0.10 0.00 -2.02 0.00 0.00 63.50 61.98 1i89 n PRO 230 Cb 0.48 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.75 1i89 n PRO 230 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1i89 n GLU 231 N 3.39 -1.74 -0.01 -0.52 1.02 -1.26 -4.57 120.64 116.95 1i89 n GLU 231 Ca 0.20 0.85 -0.04 0.00 -0.02 0.00 0.00 57.16 58.15 1i89 n GLU 231 Cb 0.20 -5.28 -0.01 0.00 -0.02 0.00 0.00 31.44 26.32 1i89 n GLU 231 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1i89 n ILE 232 N -2.17 0.54 -3.87 -3.67 2.08 -0.86 -5.03 119.36 106.38 1i89 n ILE 232 Ca -0.10 0.06 -0.27 0.00 0.56 0.00 0.00 62.75 63.00 1i89 n ILE 232 Cb 0.59 -1.60 -0.03 0.00 -0.75 0.00 0.00 39.64 37.84 1i89 n ILE 232 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1i89 s GLU 233 N -2.10 3.46 -0.37 0.38 2.02 -0.31 -4.99 118.70 116.80 1i89 s GLU 233 Ca -0.06 -0.51 0.01 0.00 0.02 0.00 0.00 54.97 54.43 1i89 s GLU 233 Cb 0.02 -2.94 0.11 0.00 0.10 0.00 0.00 34.13 31.43 1i89 s GLU 233 CO 0.08 0.49 0.14 0.21 0.02 0.00 0.00 175.26 176.21 1i89 s LYS 234 N -3.20 1.09 0.38 1.61 2.47 -1.26 -4.70 119.74 116.13 1i89 s LYS 234 Ca 0.36 -1.59 -0.25 0.00 -1.56 0.00 0.00 55.97 52.93 1i89 s LYS 234 Cb -0.11 -2.36 -0.12 0.00 -1.46 0.00 0.00 37.83 33.77 1i89 s LYS 234 CO 0.29 -1.04 0.85 -2.30 0.16 0.00 0.00 175.35 173.30 1i89 n PRO 235 N 4.23 1.05 -0.00 4.03 -0.02 -1.26 -4.59 135.00 138.44 1i89 n PRO 235 Ca 0.03 0.38 -0.01 0.00 -2.02 0.00 0.00 63.50 61.88 1i89 n PRO 235 Cb 0.39 -1.79 -0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1i89 n PRO 235 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1i89 n ILE 236 N -0.42 0.03 -3.90 4.25 5.41 0.27 -4.92 119.36 120.09 1i89 n ILE 236 Ca 0.10 -0.01 -0.11 0.00 1.00 0.00 0.00 62.75 63.74 1i89 n ILE 236 Cb 0.37 -1.42 -0.10 0.00 -0.71 0.00 0.00 39.64 37.78 1i89 n ILE 236 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1i89 s PHE 237 N -2.01 0.08 -0.07 1.39 0.08 -1.17 -3.69 117.98 112.59 1i89 s PHE 237 Ca -0.01 -0.20 0.00 0.00 0.12 0.00 0.00 56.93 56.85 1i89 s PHE 237 Cb 0.00 -0.08 -0.03 0.00 -0.57 0.00 0.00 43.02 42.35 1i89 s PHE 237 CO 0.01 -0.24 -0.06 -1.21 -0.10 0.00 0.00 175.22 173.62 1i89 s GLU 238 N -1.28 2.78 0.04 0.44 2.02 0.36 0.11 118.70 123.17 1i89 s GLU 238 Ca -0.14 -0.53 -0.18 0.00 0.02 0.00 0.00 54.97 54.14 1i89 s GLU 238 Cb -0.08 -2.63 -0.06 0.00 0.10 0.00 0.00 34.13 31.47 1i89 s GLU 238 CO 0.01 0.67 0.53 -1.64 0.02 0.00 0.00 175.26 174.85 1i89 s MET 239 N -0.85 4.16 0.00 1.61 -1.94 -0.41 0.05 119.30 121.92 1i89 s MET 239 Ca 0.13 0.65 0.00 0.00 -1.71 0.00 0.00 55.69 54.75 1i89 s MET 239 Cb -0.11 -3.26 0.00 0.00 2.01 0.00 0.00 34.83 33.47 1i89 s MET 239 CO 0.02 0.59 0.00 0.28 -0.01 0.00 0.00 175.02 175.90 1i89 n VAL 240 N 1.97 0.00 -3.57 -6.03 0.31 -0.02 -4.23 118.33 106.75 1i89 n VAL 240 Ca -0.11 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.07 1i89 n VAL 240 Cb 0.51 -0.72 -0.06 0.00 -0.91 0.00 0.00 33.84 32.66 1i89 n VAL 240 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 1i89 s TRP 241 N -1.90 -0.70 0.08 3.52 -0.00 -1.23 -5.00 118.94 113.71 1i89 s TRP 241 Ca 0.00 1.44 0.01 0.00 -0.00 0.00 0.00 56.10 57.55 1i89 s TRP 241 Cb 0.00 0.35 -0.04 0.00 -0.00 0.00 0.00 33.47 33.78 1i89 s TRP 241 CO 0.00 -0.50 -0.05 0.95 -0.00 0.00 0.00 176.95 177.35 1i89 s THR 242 N -0.50 0.49 0.10 5.86 -4.23 -1.26 -0.14 115.64 115.96 1i89 s THR 242 Ca -0.06 -1.87 -0.23 0.00 -1.18 0.00 0.00 61.69 58.35 1i89 s THR 242 Cb -0.02 -1.60 0.06 0.00 1.34 0.00 0.00 72.50 72.27 1i89 s THR 242 CO 0.06 -0.92 0.55 0.00 -0.54 0.00 0.00 174.62 173.77 1i89 s ALA 243 N -3.72 -1.43 -0.03 3.99 0.00 -0.39 -4.99 121.76 115.19 1i89 s ALA 243 Ca 0.10 0.52 -0.01 0.00 0.00 0.00 0.00 51.96 52.57 1i89 s ALA 243 Cb 0.06 0.62 0.03 0.00 0.00 0.00 0.00 23.12 23.83 1i89 s ALA 243 CO -0.07 -0.63 0.06 -1.14 0.00 0.00 0.00 175.76 173.98 1i89 s GLN 244 N -3.11 -0.00 0.17 0.00 0.74 -1.26 -0.51 119.66 115.69 1i89 s GLN 244 Ca -0.02 0.24 -0.01 0.00 0.05 0.00 0.00 55.36 55.62 1i89 s GLN 244 Cb -0.00 -0.23 -0.04 0.00 1.10 0.00 0.00 33.01 33.84 1i89 s GLN 244 CO -0.07 -0.17 0.10 -0.08 -0.55 0.00 0.00 175.29 174.52 1i89 s THR 245 N 1.10 0.04 -0.20 -0.34 -1.32 -0.07 -5.00 115.64 109.85 1i89 s THR 245 Ca -0.09 -1.96 -0.01 0.00 -1.21 0.00 0.00 61.69 58.42 1i89 s THR 245 Cb -0.12 -2.31 0.01 0.00 -1.51 0.00 0.00 72.50 68.56 1i89 s THR 245 CO -0.04 -0.19 -0.13 -0.63 -2.21 0.00 0.00 174.62 171.43 1i89 s ILE 246 N -4.11 2.64 0.36 5.08 1.01 -1.26 -1.03 121.20 123.88 1i89 s ILE 246 Ca 0.33 -0.76 -0.27 0.00 0.00 0.00 0.00 60.65 59.95 1i89 s ILE 246 Cb 0.07 -2.17 -0.09 0.00 0.01 0.00 0.00 42.46 40.28 1i89 s ILE 246 CO 0.08 0.48 1.23 0.00 0.00 0.00 0.00 174.94 176.73 1i89 s ALA 247 N 1.37 3.32 0.74 9.38 0.00 -0.39 -4.98 121.76 131.20 1i89 s ALA 247 Ca 0.05 1.11 -0.13 0.00 0.00 0.00 0.00 51.96 52.99 1i89 s ALA 247 Cb -0.14 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.60 1i89 s ALA 247 CO -0.09 -0.58 1.13 -1.25 0.00 0.00 0.00 175.76 174.97 1i89 s PRO 248 N -2.01 2.24 -1.47 0.00 0.04 -1.26 -3.68 135.00 128.86 1i89 s PRO 248 Ca 0.53 1.42 -0.12 0.00 0.04 0.00 0.00 61.00 62.87 1i89 s PRO 248 Cb -0.35 -1.88 0.06 0.00 0.04 0.00 0.00 34.50 32.36 1i89 s PRO 248 CO 0.46 -1.69 1.02 -0.25 0.04 0.00 0.00 177.00 176.58 1i89 n ASP 249 N -3.08 -5.42 -0.18 6.66 8.00 -1.26 -4.84 116.55 116.43 1i89 n ASP 249 Ca 0.11 -0.66 0.03 0.00 0.71 0.00 0.00 54.79 54.98 1i89 n ASP 249 Cb 0.52 -4.30 0.04 0.00 -0.02 0.00 0.00 41.12 37.36 1i89 n ASP 249 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1i89 n SER 250 N -2.86 1.10 -4.72 -2.24 3.41 -1.24 -5.03 113.62 102.04 1i89 n SER 250 Ca 0.02 -2.15 -0.42 0.00 -0.26 0.00 0.00 58.87 56.06 1i89 n SER 250 Cb 0.54 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 1i89 n SER 250 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1i89 s GLU 251 N -1.08 4.12 -0.06 4.33 2.12 -1.26 -1.32 118.70 125.55 1i89 s GLU 251 Ca 0.10 2.62 0.00 0.00 0.36 0.00 0.00 54.97 58.05 1i89 s GLU 251 Cb 0.09 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.35 1i89 s GLU 251 CO 0.01 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.37 1i89 n GLY 252 N 4.02 0.41 0.14 -1.50 0.00 -1.26 -4.93 105.19 102.05 1i89 n GLY 252 Ca 0.16 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 1i89 n GLY 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i89 h ALA 253 N 0.00 0.33 -3.32 4.61 0.00 -1.50 -3.25 119.26 116.14 1i89 h ALA 253 Ca -0.01 0.04 -0.53 0.00 0.00 0.00 0.00 54.91 54.41 1i89 h ALA 253 Cb 0.29 0.03 -0.39 0.00 0.00 0.00 0.00 17.79 17.72 1i89 h ALA 253 CO 0.02 -0.31 -0.78 0.42 0.00 0.00 0.00 179.25 178.60 1i89 s ILE 254 N -6.17 0.81 0.04 0.00 1.01 -1.26 -2.16 121.20 113.47 1i89 s ILE 254 Ca -0.13 -0.52 0.08 0.00 0.00 0.00 0.00 60.65 60.08 1i89 s ILE 254 Cb 0.11 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 1i89 s ILE 254 CO 0.70 0.02 -0.23 -1.81 0.00 0.00 0.00 174.94 173.62 1i89 s ASP 255 N 1.75 2.75 -0.04 3.58 1.01 -0.71 -4.30 116.67 120.72 1i89 s ASP 255 Ca 0.00 -0.53 0.01 0.00 0.71 0.00 0.00 52.55 52.74 1i89 s ASP 255 Cb -0.16 -0.25 0.02 0.00 1.01 0.00 0.00 42.92 43.55 1i89 s ASP 255 CO -0.07 0.21 -0.03 -0.76 0.21 0.00 0.00 175.17 174.73 1i89 s LEU 256 N -1.11 1.20 -0.04 1.23 1.02 -1.26 -1.42 118.68 118.32 1i89 s LEU 256 Ca 0.09 -0.09 0.05 0.00 0.02 0.00 0.00 54.13 54.20 1i89 s LEU 256 Cb -0.09 -0.38 -0.02 0.00 0.02 0.00 0.00 46.19 45.71 1i89 s LEU 256 CO 0.01 -0.08 -0.19 -1.00 0.02 0.00 0.00 176.35 175.11 1i89 s HIS 257 N 1.06 2.55 -0.32 0.29 3.76 -1.15 -4.91 115.29 116.58 1i89 s HIS 257 Ca -0.09 -0.27 -0.18 0.00 -0.15 0.00 0.00 55.06 54.37 1i89 s HIS 257 Cb -0.14 -1.58 -0.01 0.00 1.11 0.00 0.00 32.58 31.96 1i89 s HIS 257 CO -0.01 0.10 0.50 -1.17 -0.85 0.00 0.00 174.74 173.31 1i89 s LEU 258 N -0.69 4.22 0.44 0.89 2.96 -1.26 -1.57 118.68 123.67 1i89 s LEU 258 Ca 0.11 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.22 1i89 s LEU 258 Cb -0.10 -2.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.97 1i89 s LEU 258 CO -0.00 -0.40 0.12 -0.13 -1.32 0.00 0.00 176.35 174.62 1i89 s ARG 259 N 2.34 2.02 0.54 1.98 1.81 0.34 -4.97 118.95 123.02 1i89 s ARG 259 Ca 0.19 -2.25 0.27 0.00 -1.72 0.00 0.00 55.73 52.21 1i89 s ARG 259 Cb -0.15 -0.75 1.55 0.00 -0.45 0.00 0.00 34.95 35.15 1i89 s ARG 259 CO 0.12 -0.50 2.14 0.93 -0.68 0.00 0.00 175.30 177.31 1i89 h GLU 260 N 1.66 0.00 -0.59 3.54 5.08 -1.95 0.16 114.58 122.48 1i89 h GLU 260 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1i89 h GLU 260 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1i89 h GLU 260 CO 0.58 0.08 0.00 0.00 -1.00 0.00 0.00 179.01 178.67 1i89 n ALA 261 N -2.33 2.81 0.00 3.43 0.00 -1.26 -0.11 120.51 123.05 1i89 n ALA 261 Ca -0.02 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.36 1i89 n ALA 261 Cb 0.17 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1i89 n ALA 261 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i89 n GLY 262 N 0.98 -1.77 3.62 0.00 0.00 0.56 -4.70 105.19 103.88 1i89 n GLY 262 Ca 0.18 -2.04 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 1i89 n GLY 262 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i89 s LEU 263 N 0.00 4.08 0.47 0.99 2.96 0.05 -0.50 118.68 126.72 1i89 s LEU 263 Ca 0.00 0.59 -0.08 0.00 -0.22 0.00 0.00 54.13 54.42 1i89 s LEU 263 Cb 0.00 -2.78 -0.05 0.00 0.50 0.00 0.00 46.19 43.86 1i89 s LEU 263 CO 0.00 -0.36 0.80 0.42 -1.32 0.00 0.00 176.35 175.89 1i89 s THR 264 N 2.46 4.85 -0.06 3.68 -4.23 -0.61 -4.36 115.64 117.37 1i89 s THR 264 Ca 0.24 0.41 -0.00 0.00 -1.18 0.00 0.00 61.69 61.15 1i89 s THR 264 Cb -0.15 -3.82 0.03 0.00 1.34 0.00 0.00 72.50 69.89 1i89 s THR 264 CO 0.09 -0.76 -0.01 0.12 -0.54 0.00 0.00 174.62 173.52 1i89 s PHE 265 N -2.65 0.69 0.00 3.99 5.36 -1.26 -2.92 117.98 121.19 1i89 s PHE 265 Ca 0.49 -0.18 0.05 0.00 -0.96 0.00 0.00 56.93 56.34 1i89 s PHE 265 Cb -0.10 -0.74 -0.02 0.00 -0.34 0.00 0.00 43.02 41.82 1i89 s PHE 265 CO 0.41 -0.28 -0.17 -1.01 -1.46 0.00 0.00 175.22 172.71 1i89 s HIS 266 N 1.57 1.49 -0.22 10.12 3.76 -0.50 -3.65 115.29 127.85 1i89 s HIS 266 Ca -0.01 -0.30 -0.01 0.00 -0.15 0.00 0.00 55.06 54.59 1i89 s HIS 266 Cb -0.13 -0.94 0.06 0.00 1.11 0.00 0.00 32.58 32.69 1i89 s HIS 266 CO -0.03 -0.00 0.01 -0.51 -0.85 0.00 0.00 174.74 173.35 1i89 s LEU 267 N -0.59 1.86 0.00 0.89 1.43 -1.26 -1.73 118.68 119.28 1i89 s LEU 267 Ca 0.06 -1.05 0.10 0.00 -1.03 0.00 0.00 54.13 52.21 1i89 s LEU 267 Cb -0.07 -0.86 0.04 0.00 0.03 0.00 0.00 46.19 45.33 1i89 s LEU 267 CO -0.00 -0.29 0.72 0.18 0.23 0.00 0.00 176.35 177.19 1i89 n LEU 268 N 4.87 1.52 -4.33 1.79 4.77 -0.92 -4.89 117.00 119.82 1i89 n LEU 268 Ca -0.09 -0.88 -0.19 0.00 -0.03 0.00 0.00 56.01 54.82 1i89 n LEU 268 Cb 0.45 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 1i89 n LEU 268 CO 0.15 0.30 -0.20 -0.54 -1.33 0.00 0.00 177.39 175.77 1i89 s LYS 269 N -1.10 1.59 -0.76 3.23 1.02 -1.24 -4.88 119.74 117.59 1i89 s LYS 269 Ca 0.10 -1.90 -0.23 0.00 0.02 0.00 0.00 55.97 53.96 1i89 s LYS 269 Cb 0.08 -0.07 0.07 0.00 -0.52 0.00 0.00 37.83 37.40 1i89 s LYS 269 CO 0.19 -0.46 1.09 0.34 -0.92 0.00 0.00 175.35 175.60 1i89 s ASP 270 N -3.37 6.29 0.09 2.83 -1.08 -1.26 -4.91 116.67 115.27 1i89 s ASP 270 Ca 0.36 -1.16 -0.25 0.00 -0.52 0.00 0.00 52.55 50.99 1i89 s ASP 270 Cb 0.05 -2.45 -0.15 0.00 -1.46 0.00 0.00 42.92 38.91 1i89 s ASP 270 CO 0.18 -1.44 1.72 0.58 0.52 0.00 0.00 175.17 176.73 1i89 h VAL 271 N 6.04 0.87 -0.77 1.11 2.07 -1.98 -0.91 116.25 122.68 1i89 h VAL 271 Ca -0.15 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.46 1i89 h VAL 271 Cb 1.05 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.62 1i89 h VAL 271 CO 1.21 0.00 0.42 -0.65 0.02 0.00 0.00 177.57 178.57 1i89 h PRO 272 N -0.16 0.70 -0.05 1.57 0.11 -1.90 0.21 132.00 132.48 1i89 h PRO 272 Ca -0.01 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1i89 h PRO 272 Cb 0.13 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 1i89 h PRO 272 CO 0.01 0.46 0.02 0.78 -0.21 0.00 0.00 178.00 179.06 1i89 h GLY 273 N 0.72 0.08 0.93 -0.55 0.00 -1.88 -1.15 103.07 101.22 1i89 h GLY 273 Ca 0.37 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.61 1i89 h GLY 273 CO -0.24 0.04 0.08 -2.22 0.00 0.00 0.00 176.54 174.20 1i89 h ILE 274 N -0.09 1.23 -0.33 2.60 2.04 -0.68 -1.26 117.51 121.02 1i89 h ILE 274 Ca 0.02 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 1i89 h ILE 274 Cb 0.17 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1i89 h ILE 274 CO -0.00 0.28 0.19 0.58 0.00 0.00 0.00 178.15 179.20 1i89 h VAL 275 N 0.48 1.12 -0.13 1.67 2.07 -0.58 -2.36 116.25 118.53 1i89 h VAL 275 Ca 0.12 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 1i89 h VAL 275 Cb 0.33 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1i89 h VAL 275 CO 0.00 0.12 -0.18 0.77 0.02 0.00 0.00 177.57 178.31 1i89 h SER 276 N 0.42 0.20 1.03 0.57 4.64 -1.12 -0.64 113.55 118.66 1i89 h SER 276 Ca 0.12 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.34 1i89 h SER 276 Cb 0.03 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1i89 h SER 276 CO -0.02 0.40 -0.26 0.11 -0.87 0.00 0.00 176.83 176.18 1i89 h LYS 277 N 0.20 0.00 -0.01 4.77 1.57 -1.00 -3.26 116.57 118.84 1i89 h LYS 277 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1i89 h LYS 277 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1i89 h LYS 277 CO 0.03 0.26 -0.19 0.09 -0.57 0.00 0.00 179.45 179.07 1i89 n ASN 278 N -3.37 1.78 0.11 0.86 3.02 -0.91 -4.64 115.26 112.12 1i89 n ASN 278 Ca 0.00 -1.39 -0.04 0.00 -0.03 0.00 0.00 54.58 53.12 1i89 n ASN 278 Cb 0.48 0.30 0.10 0.00 -0.61 0.00 0.00 39.78 40.05 1i89 n ASN 278 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1i89 h ILE 279 N 2.10 1.47 -0.48 2.41 6.09 -1.17 -2.92 117.51 125.01 1i89 h ILE 279 Ca 0.00 -2.30 -0.05 0.00 -1.37 0.00 0.00 64.86 61.14 1i89 h ILE 279 Cb 0.54 2.23 -0.02 0.00 0.47 0.00 0.00 36.82 40.04 1i89 h ILE 279 CO 0.00 0.66 0.10 0.74 -3.07 0.00 0.00 178.15 176.58 1i89 h THR 280 N 0.06 1.24 -0.69 2.19 2.02 -1.82 -0.88 112.91 115.03 1i89 h THR 280 Ca -0.01 -0.88 0.06 0.00 0.77 0.00 0.00 66.41 66.34 1i89 h THR 280 Cb 1.23 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 68.47 1i89 h THR 280 CO 0.10 0.31 0.40 0.50 0.37 0.00 0.00 175.52 177.20 1i89 h LYS 281 N 0.66 0.72 -0.39 6.66 3.64 -1.84 0.29 116.57 126.30 1i89 h LYS 281 Ca 0.15 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 1i89 h LYS 281 Cb 0.36 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1i89 h LYS 281 CO 0.01 0.48 -0.17 0.00 -2.27 0.00 0.00 179.45 177.49 1i89 h ALA 282 N 1.35 0.95 -0.33 5.00 0.00 -1.28 -1.37 119.26 123.58 1i89 h ALA 282 Ca 0.31 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1i89 h ALA 282 Cb 0.16 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1i89 h ALA 282 CO -0.17 0.61 -0.46 -0.07 0.00 0.00 0.00 179.25 179.16 1i89 h LEU 283 N 0.66 0.95 -0.63 0.00 3.38 -0.11 -1.72 115.31 117.84 1i89 h LEU 283 Ca 0.10 -0.47 -0.12 0.00 0.09 0.00 0.00 57.88 57.48 1i89 h LEU 283 Cb 0.66 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1i89 h LEU 283 CO 0.05 1.26 -0.25 -0.37 0.09 0.00 0.00 178.44 179.22 1i89 h VAL 284 N 0.69 1.27 -0.33 1.22 -1.51 -0.13 0.18 116.25 117.65 1i89 h VAL 284 Ca 0.04 -1.38 0.03 0.00 -1.23 0.00 0.00 66.70 64.15 1i89 h VAL 284 Cb 1.05 1.23 -0.03 0.00 -2.13 0.00 0.00 31.29 31.41 1i89 h VAL 284 CO 0.11 0.46 0.15 -0.08 -1.23 0.00 0.00 177.57 176.98 1i89 h GLU 285 N 0.71 0.31 -0.14 5.19 4.81 -1.14 -0.05 114.58 124.27 1i89 h GLU 285 Ca 0.09 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1i89 h GLU 285 Cb 0.78 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 1i89 h GLU 285 CO 0.06 0.21 -0.16 0.00 -0.73 0.00 0.00 179.01 178.39 1i89 h ALA 286 N 1.18 0.21 0.00 2.92 0.00 -1.12 -3.39 119.26 119.06 1i89 h ALA 286 Ca 0.14 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1i89 h ALA 286 Cb 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1i89 h ALA 286 CO -0.10 0.11 -1.58 1.19 0.00 0.00 0.00 179.25 178.87 1i89 n PHE 287 N -4.54 0.00 -0.31 0.00 3.72 0.62 -4.44 117.46 112.51 1i89 n PHE 287 Ca -0.06 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1i89 n PHE 287 Cb 0.37 -0.30 0.12 0.00 -0.94 0.00 0.00 39.48 38.74 1i89 n PHE 287 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1i89 h GLU 288 N 0.00 0.97 0.00 -1.08 4.57 -1.15 -0.76 114.58 117.13 1i89 h GLU 288 Ca 0.00 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1i89 h GLU 288 Cb 0.77 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1i89 h GLU 288 CO 0.00 0.64 -0.01 -1.35 -1.18 0.00 0.00 179.01 177.12 1i89 h PRO 289 N 1.00 0.00 -0.00 0.92 0.11 -1.79 -0.91 132.00 131.33 1i89 h PRO 289 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1i89 h PRO 289 Cb 0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1i89 h PRO 289 CO -0.15 0.01 -0.46 1.28 -0.21 0.00 0.00 178.00 178.47 1i89 n LEU 290 N -3.10 0.62 -0.00 2.35 4.77 -0.37 -4.95 117.00 116.32 1i89 n LEU 290 Ca -0.01 -0.06 -0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1i89 n LEU 290 Cb 0.23 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1i89 n LEU 290 CO 0.25 0.14 -0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1i89 n GLY 291 N 1.47 0.38 3.39 -0.72 0.00 -0.34 -5.03 105.19 104.33 1i89 n GLY 291 Ca 0.07 -1.09 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 1i89 n GLY 291 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1i89 s ILE 292 N -2.00 3.19 0.00 -0.61 1.10 -0.75 -4.96 121.20 117.17 1i89 s ILE 292 Ca 0.00 -0.61 0.00 0.00 -0.51 0.00 0.00 60.65 59.53 1i89 s ILE 292 Cb 0.00 -2.35 0.00 0.00 0.15 0.00 0.00 42.46 40.26 1i89 s ILE 292 CO 0.00 0.52 0.00 -1.54 -2.11 0.00 0.00 174.94 171.81 1i89 n SER 293 N 3.59 0.94 -4.54 4.50 3.41 -1.26 -4.22 113.62 116.03 1i89 n SER 293 Ca -0.18 -0.24 -0.43 0.00 -0.26 0.00 0.00 58.87 57.76 1i89 n SER 293 Cb 0.53 0.66 -0.04 0.00 -0.26 0.00 0.00 64.21 65.10 1i89 n SER 293 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1i89 s ASP 294 N -0.85 6.40 0.00 4.04 2.15 -1.26 -4.92 116.67 122.23 1i89 s ASP 294 Ca 0.00 -0.14 0.30 0.00 0.43 0.00 0.00 52.55 53.14 1i89 s ASP 294 Cb 0.00 -2.46 1.62 0.00 -0.30 0.00 0.00 42.92 41.78 1i89 s ASP 294 CO 0.00 -1.24 2.07 -1.22 -0.17 0.00 0.00 175.17 174.61 1i89 n TYR 295 N 7.60 0.00 0.93 -5.34 4.01 -1.26 -1.62 117.16 121.47 1i89 n TYR 295 Ca 0.04 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.91 1i89 n TYR 295 Cb 0.48 -0.16 0.29 0.00 -0.31 0.00 0.00 39.34 39.64 1i89 n TYR 295 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1i89 n ASN 296 N -1.16 0.46 -0.53 7.72 3.02 -1.26 -3.96 115.26 119.55 1i89 n ASN 296 Ca 0.18 -0.08 0.10 0.00 -0.03 0.00 0.00 54.58 54.76 1i89 n ASN 296 Cb 0.17 0.12 0.38 0.00 -0.61 0.00 0.00 39.78 39.84 1i89 n ASN 296 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1i89 n SER 297 N -1.60 1.61 -4.39 6.41 3.41 -0.64 -4.89 113.62 113.52 1i89 n SER 297 Ca 0.05 -1.70 -0.24 0.00 -0.26 0.00 0.00 58.87 56.72 1i89 n SER 297 Cb 0.35 -0.10 -0.11 0.00 -0.26 0.00 0.00 64.21 64.09 1i89 n SER 297 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1i89 s ILE 298 N -1.79 2.13 0.39 -1.33 -4.36 -1.25 -4.70 121.20 110.28 1i89 s ILE 298 Ca 0.32 -2.07 -0.08 0.00 -0.26 0.00 0.00 60.65 58.56 1i89 s ILE 298 Cb 0.17 -2.04 -0.06 0.00 1.25 0.00 0.00 42.46 41.78 1i89 s ILE 298 CO 0.26 -0.28 0.72 0.72 0.24 0.00 0.00 174.94 176.60 1i89 s PHE 299 N -2.05 3.49 -0.01 1.37 -0.71 0.27 -4.92 117.98 115.41 1i89 s PHE 299 Ca 0.21 0.89 0.07 0.00 -1.04 0.00 0.00 56.93 57.06 1i89 s PHE 299 Cb -0.06 -2.33 -0.02 0.00 -1.21 0.00 0.00 43.02 39.40 1i89 s PHE 299 CO 0.09 -0.07 -0.23 -1.58 -1.34 0.00 0.00 175.22 172.09 1i89 s TRP 300 N -2.38 2.06 -0.18 3.49 0.52 -1.26 -0.55 118.94 120.65 1i89 s TRP 300 Ca 0.49 -0.39 -0.03 0.00 0.02 0.00 0.00 56.10 56.18 1i89 s TRP 300 Cb -0.10 -1.32 0.06 0.00 -1.15 0.00 0.00 33.47 30.96 1i89 s TRP 300 CO 0.34 -0.02 0.05 0.42 0.02 0.00 0.00 176.95 177.76 1i89 s ILE 301 N -0.56 0.30 -0.07 2.03 1.09 -0.41 -4.75 121.20 118.84 1i89 s ILE 301 Ca 0.09 -0.38 0.05 0.00 -1.10 0.00 0.00 60.65 59.30 1i89 s ILE 301 Cb -0.09 -0.85 -0.00 0.00 -1.06 0.00 0.00 42.46 40.46 1i89 s ILE 301 CO -0.01 -0.21 -0.22 0.00 -0.10 0.00 0.00 174.94 174.40 1i89 s ALA 302 N 1.96 1.97 -0.10 9.38 0.00 -1.26 -1.13 121.76 132.57 1i89 s ALA 302 Ca 0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.76 1i89 s ALA 302 Cb -0.16 -0.67 -0.06 0.00 0.00 0.00 0.00 23.12 22.23 1i89 s ALA 302 CO -0.08 0.33 1.88 -1.58 0.00 0.00 0.00 175.76 176.31 1i89 s HIS 303 N 0.07 1.59 -1.31 0.00 2.46 -0.47 -4.86 115.29 112.77 1i89 s HIS 303 Ca -0.09 0.13 -0.15 0.00 0.47 0.00 0.00 55.06 55.42 1i89 s HIS 303 Cb -0.15 -4.05 -0.01 0.00 -0.13 0.00 0.00 32.58 28.24 1i89 s HIS 303 CO 0.05 -4.26 2.20 -0.35 -2.47 0.00 0.00 174.74 169.90 1i89 n PRO 304 N 7.77 2.59 -0.29 2.88 -0.04 -1.26 -4.75 135.00 141.90 1i89 n PRO 304 Ca 0.21 -2.41 0.07 0.00 -0.04 0.00 0.00 63.50 61.33 1i89 n PRO 304 Cb 0.43 -3.18 0.22 0.00 -0.04 0.00 0.00 33.50 30.93 1i89 n PRO 304 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1i89 h GLY 305 N 10.66 1.34 -2.71 0.55 0.00 -1.93 -3.42 103.07 107.56 1i89 h GLY 305 Ca 0.55 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 1i89 h GLY 305 CO 1.90 -0.04 0.11 -0.32 0.00 0.00 0.00 176.54 178.18 1i89 s GLY 306 N -3.48 -0.29 0.50 4.60 0.00 -1.26 -4.85 107.32 102.54 1i89 s GLY 306 Ca -0.12 0.02 0.24 0.00 0.00 0.00 0.00 44.72 44.86 1i89 s GLY 306 CO 0.78 -0.10 2.05 -0.56 0.00 0.00 0.00 173.10 175.26 1i89 h PRO 307 N 2.12 0.00 0.00 2.90 0.13 -1.84 -2.67 132.00 132.64 1i89 h PRO 307 Ca -0.30 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.75 1i89 h PRO 307 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1i89 h PRO 307 CO 0.37 0.14 -0.41 0.00 -0.23 0.00 0.00 178.00 177.87 1i89 h ALA 308 N 1.86 1.16 -0.16 -0.56 0.00 -1.95 -0.81 119.26 118.80 1i89 h ALA 308 Ca -0.00 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.55 1i89 h ALA 308 Cb 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1i89 h ALA 308 CO 0.02 0.51 0.09 0.82 0.00 0.00 0.00 179.25 180.68 1i89 h ILE 309 N 0.00 1.01 -0.33 0.00 2.04 -1.81 -0.16 117.51 118.26 1i89 h ILE 309 Ca -0.00 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 1i89 h ILE 309 Cb 0.80 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1i89 h ILE 309 CO 0.05 0.03 0.06 -0.07 0.00 0.00 0.00 178.15 178.23 1i89 h LEU 310 N 0.19 0.53 -0.73 1.44 3.38 -1.51 -0.59 115.31 118.01 1i89 h LEU 310 Ca 0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1i89 h LEU 310 Cb -0.00 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1i89 h LEU 310 CO -0.03 0.65 0.38 0.44 0.09 0.00 0.00 178.44 179.96 1i89 h ASP 311 N 0.38 0.94 0.95 -0.43 3.32 -1.02 -0.37 116.42 120.19 1i89 h ASP 311 Ca 0.10 -0.12 -0.14 0.00 0.02 0.00 0.00 57.03 56.89 1i89 h ASP 311 Cb 0.34 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1i89 h ASP 311 CO 0.01 0.79 -0.68 1.56 -1.72 0.00 0.00 179.24 179.19 1i89 h GLN 312 N 1.02 0.00 -0.17 3.56 4.20 -0.87 -1.57 115.11 121.28 1i89 h GLN 312 Ca 0.26 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.89 1i89 h GLN 312 Cb 0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1i89 h GLN 312 CO -0.04 0.68 -0.20 0.28 -0.67 0.00 0.00 178.83 178.88 1i89 h VAL 313 N 0.00 1.34 -0.73 -0.54 2.07 -0.85 -1.76 116.25 115.78 1i89 h VAL 313 Ca -0.01 -1.39 0.03 0.00 0.82 0.00 0.00 66.70 66.15 1i89 h VAL 313 Cb 1.34 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.92 1i89 h VAL 313 CO 0.09 0.42 0.46 -0.08 0.02 0.00 0.00 177.57 178.48 1i89 h GLU 314 N 0.09 0.88 -0.44 1.57 4.81 -0.97 -2.18 114.58 118.34 1i89 h GLU 314 Ca 0.02 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1i89 h GLU 314 Cb 0.76 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1i89 h GLU 314 CO 0.05 0.58 0.10 1.96 -0.73 0.00 0.00 179.01 180.97 1i89 h GLN 315 N 0.91 0.71 -0.40 1.92 4.20 -1.20 0.85 115.11 122.10 1i89 h GLN 315 Ca 0.29 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1i89 h GLN 315 Cb 0.00 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 1i89 h GLN 315 CO -0.10 0.72 0.24 -0.22 -0.67 0.00 0.00 178.83 178.79 1i89 h LYS 316 N 0.58 0.54 0.00 1.46 1.63 -1.07 -3.13 116.57 116.58 1i89 h LYS 316 Ca 0.14 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1i89 h LYS 316 Cb 0.33 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1i89 h LYS 316 CO 0.00 0.41 -0.57 1.28 -3.45 0.00 0.00 179.45 177.13 1i89 n LEU 317 N -4.76 0.60 -3.34 5.20 4.77 -0.84 -4.95 117.00 113.68 1i89 n LEU 317 Ca 0.00 0.16 -0.19 0.00 -0.03 0.00 0.00 56.01 55.95 1i89 n LEU 317 Cb 0.06 -0.22 0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1i89 n LEU 317 CO 0.35 0.01 0.17 0.00 -1.33 0.00 0.00 177.39 176.59 1i89 n ALA 318 N -1.70 -1.57 -1.77 -1.18 0.00 0.16 -4.96 120.51 109.49 1i89 n ALA 318 Ca 0.04 0.16 -0.40 0.00 0.00 0.00 0.00 53.44 53.24 1i89 n ALA 318 Cb 0.40 -3.71 -0.02 0.00 0.00 0.00 0.00 19.45 16.11 1i89 n ALA 318 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i89 s LEU 319 N -6.49 4.41 0.51 0.00 1.43 -0.42 -4.94 118.68 113.18 1i89 s LEU 319 Ca 0.27 2.56 -0.22 0.00 -1.03 0.00 0.00 54.13 55.70 1i89 s LEU 319 Cb -0.12 -3.70 -0.06 0.00 0.03 0.00 0.00 46.19 42.34 1i89 s LEU 319 CO 0.68 -0.49 1.32 -0.54 0.23 0.00 0.00 176.35 177.56 1i89 s LYS 320 N -1.81 3.35 0.54 1.70 1.02 -1.26 -4.88 119.74 118.40 1i89 s LYS 320 Ca 0.49 2.15 0.27 0.00 0.02 0.00 0.00 55.97 58.90 1i89 s LYS 320 Cb -0.37 -2.34 1.44 0.00 -0.52 0.00 0.00 37.83 36.03 1i89 s LYS 320 CO 0.49 -0.99 1.96 -1.35 -0.92 0.00 0.00 175.35 174.53 1i89 h PRO 321 N 1.70 0.00 0.00 -1.68 0.11 -1.98 -0.60 132.00 129.55 1i89 h PRO 321 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1i89 h PRO 321 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1i89 h PRO 321 CO 0.58 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.30 1i89 h GLU 322 N 0.00 0.00 -0.81 1.05 3.07 -2.02 -3.32 114.58 112.55 1i89 h GLU 322 Ca 0.29 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 59.17 1i89 h GLU 322 Cb 1.20 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.06 1i89 h GLU 322 CO -0.00 0.00 0.53 0.87 -1.40 0.00 0.00 179.01 179.00 1i89 h LYS 323 N 0.00 1.02 -0.13 2.33 1.79 -1.46 -1.81 116.57 118.30 1i89 h LYS 323 Ca 0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1i89 h LYS 323 Cb 0.63 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1i89 h LYS 323 CO 0.00 0.67 0.00 -1.33 -1.08 0.00 0.00 179.45 177.71 1i89 n MET 324 N -4.55 1.36 0.01 3.15 2.81 -1.25 -4.47 117.12 114.18 1i89 n MET 324 Ca 0.09 -0.55 -0.10 0.00 -1.81 0.00 0.00 57.70 55.32 1i89 n MET 324 Cb 0.05 -1.21 -0.04 0.00 -0.71 0.00 0.00 33.22 31.31 1i89 n MET 324 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1i89 h ASN 325 N 0.98 -0.93 -0.76 7.83 2.35 -1.49 0.14 115.58 123.70 1i89 h ASN 325 Ca 0.00 0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 1i89 h ASN 325 Cb 0.22 0.40 -0.04 0.00 0.05 0.00 0.00 38.32 38.95 1i89 h ASN 325 CO 0.00 -0.35 0.34 0.00 -1.65 0.00 0.00 177.43 175.77 1i89 h ALA 326 N 0.46 1.13 0.19 -0.83 0.00 -1.82 -1.00 119.26 117.39 1i89 h ALA 326 Ca 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1i89 h ALA 326 Cb 0.53 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1i89 h ALA 326 CO -0.33 0.64 -0.09 1.15 0.00 0.00 0.00 179.25 180.61 1i89 h THR 327 N 1.11 0.82 -0.41 0.00 2.02 -1.75 -2.62 112.91 112.08 1i89 h THR 327 Ca 0.26 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.38 1i89 h THR 327 Cb 0.17 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1i89 h THR 327 CO -0.03 0.01 0.19 0.03 0.37 0.00 0.00 175.52 176.10 1i89 h ARG 328 N -0.28 0.57 -0.67 6.66 3.08 -0.54 -1.32 114.38 121.89 1i89 h ARG 328 Ca -0.03 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 1i89 h ARG 328 Cb 0.22 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1i89 h ARG 328 CO 0.04 0.45 0.17 1.49 -1.07 0.00 0.00 179.97 181.05 1i89 h GLU 329 N 0.57 1.05 -0.29 0.04 4.57 -1.06 0.22 114.58 119.69 1i89 h GLU 329 Ca 0.15 -0.24 -0.16 0.00 -1.18 0.00 0.00 59.36 57.93 1i89 h GLU 329 Cb 0.07 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1i89 h GLU 329 CO -0.02 0.92 -0.43 0.28 -1.18 0.00 0.00 179.01 178.59 1i89 h VAL 330 N 1.00 1.29 -0.47 0.32 2.07 -1.04 -1.78 116.25 117.65 1i89 h VAL 330 Ca 0.21 -1.61 0.04 0.00 0.82 0.00 0.00 66.70 66.16 1i89 h VAL 330 Cb 0.34 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1i89 h VAL 330 CO -0.00 0.52 0.22 0.25 0.02 0.00 0.00 177.57 178.58 1i89 h LEU 331 N 0.56 0.31 -0.26 2.57 5.85 -1.10 -0.78 115.31 122.47 1i89 h LEU 331 Ca 0.03 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1i89 h LEU 331 Cb 1.02 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1i89 h LEU 331 CO 0.10 0.22 0.17 -1.28 -0.34 0.00 0.00 178.44 177.30 1i89 h SER 332 N 0.44 0.31 1.46 1.25 0.87 -0.40 -0.42 113.55 117.06 1i89 h SER 332 Ca 0.21 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1i89 h SER 332 Cb 0.13 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1i89 h SER 332 CO -0.16 0.24 -0.37 -0.33 -0.53 0.00 0.00 176.83 175.69 1i89 h GLU 333 N 0.34 0.00 0.00 2.24 4.39 -1.05 0.25 114.58 120.75 1i89 h GLU 333 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1i89 h GLU 333 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1i89 h GLU 333 CO -0.02 0.00 -0.28 0.66 -1.16 0.00 0.00 179.01 178.21 1i89 n TYR 334 N -2.68 0.00 -3.17 4.33 4.01 -0.32 -4.46 117.16 114.87 1i89 n TYR 334 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1i89 n TYR 334 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 1i89 n TYR 334 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i89 n GLY 335 N 0.82 -2.02 3.59 2.72 0.00 -0.17 -4.37 105.19 105.76 1i89 n GLY 335 Ca 0.00 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 1i89 n GLY 335 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i89 s ASN 336 N -4.00 6.57 -0.40 1.61 3.84 -0.27 -4.54 114.94 117.76 1i89 s ASN 336 Ca 0.00 0.32 0.04 0.00 0.21 0.00 0.00 52.86 53.43 1i89 s ASN 336 Cb 0.00 -2.53 0.60 0.00 -0.55 0.00 0.00 41.25 38.77 1i89 s ASN 336 CO 0.00 -1.24 1.81 0.23 -2.79 0.00 0.00 177.10 175.11 1i89 n MET 337 N 7.78 2.17 0.00 0.43 2.81 -1.26 -0.99 117.12 128.05 1i89 n MET 337 Ca 0.10 -2.68 0.00 0.00 -1.81 0.00 0.00 57.70 53.31 1i89 n MET 337 Cb 0.49 -2.05 0.00 0.00 -0.71 0.00 0.00 33.22 30.95 1i89 n MET 337 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1i89 n SER 338 N -0.93 0.00 0.30 7.83 2.88 -1.26 -2.35 113.62 120.08 1i89 n SER 338 Ca 0.53 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 58.23 1i89 n SER 338 Cb 1.54 0.00 0.93 0.00 -0.75 0.00 0.00 64.21 65.93 1i89 n SER 338 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1i89 h SER 339 N 2.51 0.00 1.63 -3.46 4.64 -1.94 -2.12 113.55 114.81 1i89 h SER 339 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1i89 h SER 339 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1i89 h SER 339 CO 0.00 0.02 -0.12 0.00 -0.87 0.00 0.00 176.83 175.86 1i89 h ALA 340 N 1.98 0.94 -0.21 5.18 0.00 -1.75 -3.15 119.26 122.25 1i89 h ALA 340 Ca -0.00 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1i89 h ALA 340 Cb 0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1i89 h ALA 340 CO 0.00 0.15 -0.08 0.00 0.00 0.00 0.00 179.25 179.32 1i89 h VAL 342 N -0.05 1.08 -0.21 0.00 3.04 -1.79 -0.80 116.25 117.51 1i89 h VAL 342 Ca 0.11 -0.62 -0.20 0.00 -1.01 0.00 0.00 66.70 64.98 1i89 h VAL 342 Cb 0.22 1.34 0.01 0.00 -2.01 0.00 0.00 31.29 30.84 1i89 h VAL 342 CO -0.25 0.18 -0.65 -0.07 -1.01 0.00 0.00 177.57 175.77 1i89 h LEU 343 N 0.00 0.94 -1.20 3.16 3.38 -1.56 -1.29 115.31 118.74 1i89 h LEU 343 Ca -0.00 -0.59 -0.04 0.00 0.09 0.00 0.00 57.88 57.35 1i89 h LEU 343 Cb 0.33 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1i89 h LEU 343 CO 0.02 1.36 0.13 -0.26 0.09 0.00 0.00 178.44 179.78 1i89 h PHE 344 N 0.56 0.69 -0.53 1.13 -1.00 -0.94 -1.96 116.94 114.90 1i89 h PHE 344 Ca -0.02 -0.05 -0.08 0.00 2.81 0.00 0.00 57.97 60.63 1i89 h PHE 344 Cb 1.27 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 40.60 1i89 h PHE 344 CO 0.08 0.58 0.01 0.82 -1.61 0.00 0.00 178.31 178.20 1i89 h ILE 345 N 0.67 1.26 -0.93 -0.55 2.04 -0.81 0.15 117.51 119.33 1i89 h ILE 345 Ca 0.15 -1.08 0.04 0.00 1.00 0.00 0.00 64.86 64.97 1i89 h ILE 345 Cb 0.22 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 1i89 h ILE 345 CO -0.01 0.38 0.60 -0.07 0.00 0.00 0.00 178.15 179.06 1i89 h LEU 346 N 0.80 1.00 -0.52 1.44 3.38 -1.02 0.04 115.31 120.43 1i89 h LEU 346 Ca 0.15 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1i89 h LEU 346 Cb 0.51 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1i89 h LEU 346 CO 0.02 0.68 0.02 -0.78 0.09 0.00 0.00 178.44 178.47 1i89 h ASP 347 N 1.16 0.88 -0.30 -0.43 3.58 -0.98 -2.20 116.42 118.14 1i89 h ASP 347 Ca 0.37 -0.30 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 1i89 h ASP 347 Cb 0.02 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 1i89 h ASP 347 CO -0.13 0.96 0.08 -0.08 -2.88 0.00 0.00 179.24 177.20 1i89 h GLU 348 N 0.78 0.47 -0.10 0.28 4.57 -0.59 -1.20 114.58 118.79 1i89 h GLU 348 Ca 0.15 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1i89 h GLU 348 Cb 0.50 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1i89 h GLU 348 CO 0.02 0.53 0.06 1.98 -1.18 0.00 0.00 179.01 180.43 1i89 h MET 349 N 0.32 0.13 -0.19 1.92 4.05 -0.94 -0.03 114.93 120.19 1i89 h MET 349 Ca 0.09 -0.01 -0.13 0.00 -0.28 0.00 0.00 59.70 59.37 1i89 h MET 349 Cb 0.27 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 1i89 h MET 349 CO -0.00 0.10 -0.45 0.07 0.23 0.00 0.00 176.91 176.86 1i89 h ARG 350 N 0.12 0.47 -0.48 0.39 -0.00 -1.23 -0.98 114.38 112.66 1i89 h ARG 350 Ca 0.03 -0.25 -0.10 0.00 -0.00 0.00 0.00 59.98 59.66 1i89 h ARG 350 Cb 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 29.97 29.97 1i89 h ARG 350 CO -0.01 0.82 -0.09 0.87 -0.00 0.00 0.00 179.97 181.57 1i89 h LYS 351 N 0.38 0.92 -0.36 0.08 1.57 -1.09 -1.73 116.57 116.35 1i89 h LYS 351 Ca 0.03 -0.34 -0.15 0.00 -1.87 0.00 0.00 60.65 58.32 1i89 h LYS 351 Cb 0.94 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1i89 h LYS 351 CO 0.08 0.99 -0.38 0.87 -0.57 0.00 0.00 179.45 180.45 1i89 h LYS 352 N 0.77 0.85 -0.56 3.15 1.57 -0.91 0.14 116.57 121.58 1i89 h LYS 352 Ca 0.13 -0.44 -0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1i89 h LYS 352 Cb 0.64 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 1i89 h LYS 352 CO 0.04 1.08 0.34 0.77 -0.57 0.00 0.00 179.45 181.11 1i89 h SER 353 N 0.70 0.67 -0.08 0.86 0.02 -1.13 0.50 113.55 115.08 1i89 h SER 353 Ca 0.06 -0.06 -0.22 0.00 -0.84 0.00 0.00 61.79 60.74 1i89 h SER 353 Cb 0.95 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 63.33 1i89 h SER 353 CO 0.09 0.53 -0.80 0.71 -1.14 0.00 0.00 176.83 176.22 1i89 h THR 354 N 0.75 1.31 -0.48 -2.27 1.35 -1.09 -0.12 112.91 112.36 1i89 h THR 354 Ca 0.20 -2.05 -0.06 0.00 -0.55 0.00 0.00 66.41 63.95 1i89 h THR 354 Cb -0.02 2.22 -0.02 0.00 -1.73 0.00 0.00 68.15 68.61 1i89 h THR 354 CO -0.04 0.63 0.08 -0.61 -0.25 0.00 0.00 175.52 175.33 1i89 h GLN 355 N 0.35 0.80 -0.01 4.72 4.15 -0.53 -2.56 115.11 122.02 1i89 h GLN 355 Ca -0.08 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.13 1i89 h GLN 355 Cb 1.45 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 29.05 1i89 h GLN 355 CO 0.16 0.80 0.00 0.09 -1.93 0.00 0.00 178.83 177.95 1i89 n ASN 356 N -4.43 0.09 -2.60 -0.69 5.03 0.15 -4.90 115.26 107.90 1i89 n ASN 356 Ca 0.01 -1.86 -0.20 0.00 0.87 0.00 0.00 54.58 53.40 1i89 n ASN 356 Cb 0.25 -0.01 0.02 0.00 -1.02 0.00 0.00 39.78 39.03 1i89 n ASN 356 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1i89 n GLY 357 N 0.59 -0.39 3.85 7.41 0.00 -0.96 -5.00 105.19 110.69 1i89 n GLY 357 Ca 0.04 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1i89 n GLY 357 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i89 s LEU 358 N -5.88 2.47 0.31 0.99 1.43 -0.07 -4.99 118.68 112.94 1i89 s LEU 358 Ca 0.22 1.02 0.16 0.00 -1.03 0.00 0.00 54.13 54.50 1i89 s LEU 358 Cb -0.10 -3.55 0.20 0.00 0.03 0.00 0.00 46.19 42.77 1i89 s LEU 358 CO 0.27 -1.98 1.51 0.11 0.23 0.00 0.00 176.35 176.49 1i89 h LYS 359 N -1.10 0.00 -4.96 1.70 1.57 -1.87 -3.43 116.57 108.48 1i89 h LYS 359 Ca -0.47 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 57.87 1i89 h LYS 359 Cb 1.30 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.47 1i89 h LYS 359 CO 0.63 0.45 -0.56 0.95 -0.57 0.00 0.00 179.45 180.34 1i89 s THR 360 N -3.08 0.52 -1.10 -0.16 -4.23 -1.26 -1.23 115.64 105.10 1i89 s THR 360 Ca 0.04 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.78 1i89 s THR 360 Cb 0.08 -2.53 0.25 0.00 1.34 0.00 0.00 72.50 71.63 1i89 s THR 360 CO 0.73 0.00 1.77 0.35 -0.54 0.00 0.00 174.62 176.93 1i89 n THR 361 N -0.65 0.34 -2.43 3.99 -2.24 -0.54 -2.92 114.28 109.84 1i89 n THR 361 Ca -0.01 0.09 -0.36 0.00 -2.27 0.00 0.00 64.05 61.50 1i89 n THR 361 Cb 0.65 -0.68 0.01 0.00 -2.10 0.00 0.00 70.33 68.22 1i89 n THR 361 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i89 n GLY 362 N 0.90 5.83 2.66 3.38 0.00 -1.26 -3.83 105.19 112.87 1i89 n GLY 362 Ca 0.07 -2.62 -0.20 0.00 0.00 0.00 0.00 46.02 43.27 1i89 n GLY 362 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i89 n GLU 363 N -0.32 -2.86 -0.74 1.61 1.02 -1.22 -1.04 120.64 117.09 1i89 n GLU 363 Ca 0.45 0.88 0.00 0.00 -0.02 0.00 0.00 57.16 58.47 1i89 n GLU 363 Cb 0.34 -5.60 0.00 0.00 -0.02 0.00 0.00 31.44 26.16 1i89 n GLU 363 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i89 n GLY 364 N -1.15 1.07 3.87 0.62 0.00 -1.15 -4.87 105.19 103.59 1i89 n GLY 364 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 1i89 n GLY 364 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i89 s LEU 365 N 0.00 3.97 -0.09 0.99 1.43 -0.21 -4.55 118.68 120.22 1i89 s LEU 365 Ca 0.00 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1i89 s LEU 365 Cb 0.00 -2.51 -0.02 0.00 0.03 0.00 0.00 46.19 43.69 1i89 s LEU 365 CO 0.00 -0.06 0.12 -0.08 0.23 0.00 0.00 176.35 176.57 1i89 h GLU 366 N 1.38 -0.08 -6.10 1.70 4.81 -1.84 -3.39 114.58 111.07 1i89 h GLU 366 Ca -0.50 0.01 -0.62 0.00 -0.13 0.00 0.00 59.36 58.12 1i89 h GLU 366 Cb 1.24 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.56 1i89 h GLU 366 CO 0.61 -0.02 -0.56 -1.58 -0.73 0.00 0.00 179.01 176.73 1i89 s TRP 367 N -1.84 3.29 0.32 0.92 0.52 -1.26 -0.13 118.94 120.77 1i89 s TRP 367 Ca -0.02 0.12 -0.06 0.00 0.02 0.00 0.00 56.10 56.16 1i89 s TRP 367 Cb 0.00 -1.65 0.00 0.00 -1.15 0.00 0.00 33.47 30.67 1i89 s TRP 367 CO 0.06 0.54 0.49 0.20 0.02 0.00 0.00 176.95 178.26 1i89 s GLY 368 N -2.55 1.20 -0.00 0.98 0.00 0.22 -0.57 107.32 106.59 1i89 s GLY 368 Ca 0.31 -1.33 -0.01 0.00 0.00 0.00 0.00 44.72 43.69 1i89 s GLY 368 CO 0.24 -0.88 0.02 0.54 0.00 0.00 0.00 173.10 173.01 1i89 s VAL 369 N -3.23 0.02 -0.09 1.40 0.11 0.29 -0.95 120.40 117.96 1i89 s VAL 369 Ca 0.28 -0.20 0.04 0.00 -2.93 0.00 0.00 61.98 59.16 1i89 s VAL 369 Cb -0.01 -0.10 0.00 0.00 -1.53 0.00 0.00 36.38 34.75 1i89 s VAL 369 CO 0.17 -0.11 -0.20 -0.22 -3.33 0.00 0.00 175.10 171.41 1i89 s LEU 370 N -0.32 1.94 -0.05 2.54 0.20 -0.04 -1.28 118.68 121.67 1i89 s LEU 370 Ca -0.04 -0.47 0.06 0.00 0.69 0.00 0.00 54.13 54.38 1i89 s LEU 370 Cb -0.02 -1.21 -0.01 0.00 -0.43 0.00 0.00 46.19 44.52 1i89 s LEU 370 CO -0.00 0.12 -0.25 -0.36 -0.29 0.00 0.00 176.35 175.57 1i89 s PHE 371 N 0.42 2.43 -0.09 5.38 0.08 -0.29 -0.91 117.98 125.00 1i89 s PHE 371 Ca -0.17 -0.62 0.02 0.00 0.12 0.00 0.00 56.93 56.28 1i89 s PHE 371 Cb -0.17 -1.58 -0.02 0.00 -0.57 0.00 0.00 43.02 40.68 1i89 s PHE 371 CO 0.07 -0.15 -0.13 0.20 -0.10 0.00 0.00 175.22 175.10 1i89 s GLY 372 N -0.30 1.54 -0.02 4.36 0.00 -0.25 -1.37 107.32 111.27 1i89 s GLY 372 Ca 0.01 -0.93 0.05 0.00 0.00 0.00 0.00 44.72 43.85 1i89 s GLY 372 CO 0.02 -0.45 -0.17 -1.36 0.00 0.00 0.00 173.10 171.14 1i89 s PHE 373 N -0.15 1.60 0.00 1.90 0.08 -1.26 -0.90 117.98 119.25 1i89 s PHE 373 Ca -0.01 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 56.71 1i89 s PHE 373 Cb -0.13 -1.04 0.00 0.00 -0.57 0.00 0.00 43.02 41.27 1i89 s PHE 373 CO 0.03 -0.06 0.00 0.41 -0.10 0.00 0.00 175.22 175.51 1i89 n GLY 374 N 2.76 0.74 3.53 4.36 0.00 -0.80 -2.65 105.19 113.13 1i89 n GLY 374 Ca -0.15 -0.74 -0.45 0.00 0.00 0.00 0.00 46.02 44.68 1i89 n GLY 374 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1i89 n PRO 375 N 0.00 0.97 0.00 1.61 -0.02 -1.26 -0.62 135.00 135.67 1i89 n PRO 375 Ca 0.00 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1i89 n PRO 375 Cb 0.00 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1i89 n PRO 375 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i89 n GLY 376 N 1.45 1.36 3.69 -1.23 0.00 -1.26 -2.78 105.19 106.41 1i89 n GLY 376 Ca 0.12 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1i89 n GLY 376 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i89 s LEU 377 N 0.00 4.27 -0.14 0.99 0.20 -1.23 -4.50 118.68 118.27 1i89 s LEU 377 Ca 0.00 1.69 -0.09 0.00 0.69 0.00 0.00 54.13 56.42 1i89 s LEU 377 Cb 0.00 -3.56 -0.04 0.00 -0.43 0.00 0.00 46.19 42.16 1i89 s LEU 377 CO 0.00 -0.52 0.16 -0.89 -0.29 0.00 0.00 176.35 174.81 1i89 s THR 378 N 2.10 5.44 -0.18 3.68 2.01 0.21 -1.27 115.64 127.63 1i89 s THR 378 Ca 0.52 0.27 -0.00 0.00 0.31 0.00 0.00 61.69 62.79 1i89 s THR 378 Cb -0.22 -3.45 0.01 0.00 0.01 0.00 0.00 72.50 68.85 1i89 s THR 378 CO 0.20 0.56 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.91 1i89 s ILE 379 N -0.57 2.57 -0.17 1.82 1.01 -0.20 -1.90 121.20 123.75 1i89 s ILE 379 Ca 0.14 -0.78 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 1i89 s ILE 379 Cb -0.12 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1i89 s ILE 379 CO 0.03 0.50 0.05 -1.61 0.00 0.00 0.00 174.94 173.91 1i89 s GLU 380 N 1.21 3.87 -0.11 2.79 0.41 -0.08 -0.89 118.70 125.90 1i89 s GLU 380 Ca 0.02 -0.36 0.04 0.00 -0.41 0.00 0.00 54.97 54.26 1i89 s GLU 380 Cb -0.14 -3.16 0.00 0.00 -1.78 0.00 0.00 34.13 29.06 1i89 s GLU 380 CO -0.07 0.32 -0.23 0.99 -0.49 0.00 0.00 175.26 175.77 1i89 s THR 381 N 0.24 2.07 -0.12 3.63 2.01 0.34 -1.10 115.64 122.70 1i89 s THR 381 Ca 0.03 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 61.03 1i89 s THR 381 Cb -0.12 -1.79 0.02 0.00 0.01 0.00 0.00 72.50 70.61 1i89 s THR 381 CO 0.01 0.56 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.69 1i89 s VAL 382 N 0.45 1.31 0.01 3.82 1.01 -0.08 -1.26 120.40 125.67 1i89 s VAL 382 Ca -0.16 -0.48 -0.21 0.00 0.00 0.00 0.00 61.98 61.12 1i89 s VAL 382 Cb -0.17 -1.25 -0.06 0.00 0.00 0.00 0.00 36.38 34.90 1i89 s VAL 382 CO 0.06 0.41 0.62 -0.69 0.00 0.00 0.00 175.10 175.51 1i89 s VAL 383 N 1.43 4.85 0.07 2.92 1.01 0.80 -0.86 120.40 130.63 1i89 s VAL 383 Ca 0.02 1.31 0.07 0.00 0.00 0.00 0.00 61.98 63.38 1i89 s VAL 383 Cb -0.13 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1i89 s VAL 383 CO -0.07 0.43 -0.20 -0.76 0.00 0.00 0.00 175.10 174.49 1i89 s LEU 384 N -0.28 2.24 -0.03 3.92 1.43 -0.12 -0.84 118.68 124.99 1i89 s LEU 384 Ca 0.32 -0.61 0.04 0.00 -1.03 0.00 0.00 54.13 52.86 1i89 s LEU 384 Cb -0.19 -0.88 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 1i89 s LEU 384 CO 0.18 0.09 -0.15 -0.60 0.23 0.00 0.00 176.35 176.10 1i89 s ARG 385 N -1.58 2.41 0.99 1.70 3.52 0.11 -0.61 118.95 125.49 1i89 s ARG 385 Ca 0.06 -0.76 -0.17 0.00 -0.13 0.00 0.00 55.73 54.74 1i89 s ARG 385 Cb -0.09 -2.34 0.23 0.00 -1.56 0.00 0.00 34.95 31.19 1i89 s ARG 385 CO 0.03 0.61 1.15 -1.13 -0.81 0.00 0.00 175.30 175.15 1i89 n SER 386 N 2.14 -0.65 -4.14 -2.12 3.41 0.82 -0.49 113.62 112.58 1i89 n SER 386 Ca -0.17 -1.33 -0.23 0.00 -0.26 0.00 0.00 58.87 56.88 1i89 n SER 386 Cb 0.52 -0.94 -0.15 0.00 -0.26 0.00 0.00 64.21 63.39 1i89 n SER 386 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1i89 s VAL 387 N -3.38 1.23 0.13 -3.33 1.01 -1.24 -4.71 120.40 110.11 1i89 s VAL 387 Ca 0.68 -0.70 -0.31 0.00 0.00 0.00 0.00 61.98 61.65 1i89 s VAL 387 Cb -0.03 -1.03 -0.10 0.00 0.00 0.00 0.00 36.38 35.22 1i89 s VAL 387 CO 0.49 0.32 1.65 0.00 0.00 0.00 0.00 175.10 177.57 1i89 s ALA 388 N -0.41 3.76 0.00 5.51 0.00 -1.26 -1.46 121.76 127.90 1i89 s ALA 388 Ca 0.06 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.37 1i89 s ALA 388 Cb -0.06 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1i89 s ALA 388 CO -0.00 -0.97 0.00 -0.89 0.00 0.00 0.00 175.76 173.89