#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i88 s VAL 2 N 0.00 4.89 -0.39 1.12 1.01 -1.26 -5.03 120.40 120.74 1i88 s VAL 2 Ca 0.00 1.66 -0.22 0.00 0.00 0.00 0.00 61.98 63.43 1i88 s VAL 2 Cb 0.00 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.26 1i88 s VAL 2 CO 0.00 0.27 0.70 -0.55 0.00 0.00 0.00 175.10 175.52 1i88 s SER 3 N 0.56 6.43 0.24 3.32 0.15 -1.26 -4.93 113.70 118.21 1i88 s SER 3 Ca 0.41 0.06 0.02 0.00 0.70 0.00 0.00 55.95 57.15 1i88 s SER 3 Cb -0.19 -2.35 0.26 0.00 -1.71 0.00 0.00 66.02 62.02 1i88 s SER 3 CO 0.22 -0.72 1.58 0.58 1.20 0.00 0.00 173.24 176.10 1i88 h VAL 4 N 5.79 1.34 -0.37 4.45 2.07 -1.99 -2.16 116.25 125.38 1i88 h VAL 4 Ca -0.25 -1.79 -0.07 0.00 0.82 0.00 0.00 66.70 65.41 1i88 h VAL 4 Cb 1.10 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.68 1i88 h VAL 4 CO 0.89 0.54 -0.07 0.77 0.02 0.00 0.00 177.57 179.72 1i88 h SER 5 N 0.27 0.59 -0.43 0.57 4.64 -1.99 0.84 113.55 118.04 1i88 h SER 5 Ca 0.01 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.13 1i88 h SER 5 Cb 1.02 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.93 1i88 h SER 5 CO 0.09 0.70 0.07 -0.33 -0.87 0.00 0.00 176.83 176.49 1i88 h GLU 6 N 0.57 0.72 -0.38 4.77 5.08 -1.93 -1.60 114.58 121.80 1i88 h GLU 6 Ca 0.11 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1i88 h GLU 6 Cb 0.47 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1i88 h GLU 6 CO 0.02 0.75 0.20 0.82 -1.00 0.00 0.00 179.01 179.81 1i88 h ILE 7 N 0.58 1.15 -0.59 3.13 2.04 -0.84 -1.97 117.51 121.01 1i88 h ILE 7 Ca 0.13 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1i88 h ILE 7 Cb 0.38 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1i88 h ILE 7 CO 0.01 0.16 0.36 -0.09 0.00 0.00 0.00 178.15 178.58 1i88 h ARG 8 N 0.48 0.80 -0.57 2.37 9.65 -0.66 0.59 114.38 127.05 1i88 h ARG 8 Ca 0.13 -0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 58.91 1i88 h ARG 8 Cb 0.07 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.45 1i88 h ARG 8 CO -0.02 0.58 0.23 -0.22 2.80 0.00 0.00 179.97 183.33 1i88 h LYS 9 N 0.80 0.84 0.00 0.20 3.64 -1.19 -2.60 116.57 118.27 1i88 h LYS 9 Ca 0.21 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1i88 h LYS 9 Cb -0.02 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1i88 h LYS 9 CO -0.04 0.73 -0.17 0.00 -2.27 0.00 0.00 179.45 177.69 1i88 h ALA 10 N 1.08 0.99 0.00 5.00 0.00 -0.97 -3.28 119.26 122.08 1i88 h ALA 10 Ca 0.19 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1i88 h ALA 10 Cb 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1i88 h ALA 10 CO -0.02 0.22 -0.93 0.37 0.00 0.00 0.00 179.25 178.89 1i88 h GLN 11 N 0.00 0.00 -6.62 0.00 4.15 -0.51 -3.45 115.11 108.67 1i88 h GLN 11 Ca -0.00 0.00 -0.49 0.00 0.77 0.00 0.00 58.65 58.93 1i88 h GLN 11 Cb 0.76 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.46 1i88 h GLN 11 CO 0.02 0.22 -0.10 -0.98 -1.93 0.00 0.00 178.83 176.06 1i88 s ARG 12 N -3.09 3.52 0.74 1.69 1.70 -1.07 -0.30 118.95 122.14 1i88 s ARG 12 Ca 0.00 -0.14 -0.07 0.00 -0.47 0.00 0.00 55.73 55.05 1i88 s ARG 12 Cb 0.08 -2.58 0.09 0.00 -0.57 0.00 0.00 34.95 31.97 1i88 s ARG 12 CO 0.77 0.06 1.05 0.00 -1.08 0.00 0.00 175.30 176.11 1i88 s ALA 13 N -2.40 3.12 -0.16 7.88 0.00 -1.08 -3.91 121.76 125.21 1i88 s ALA 13 Ca 0.42 -1.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 1i88 s ALA 13 Cb -0.10 -2.52 -0.07 0.00 0.00 0.00 0.00 23.12 20.43 1i88 s ALA 13 CO 0.37 -1.49 -0.22 -1.91 0.00 0.00 0.00 175.76 172.52 1i88 n GLU 14 N -3.03 0.35 -2.60 0.00 4.07 -1.26 -4.85 120.64 113.33 1i88 n GLU 14 Ca 0.10 0.15 -0.24 0.00 -0.06 0.00 0.00 57.16 57.12 1i88 n GLU 14 Cb 0.60 -1.10 0.12 0.00 -0.06 0.00 0.00 31.44 31.01 1i88 n GLU 14 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1i88 s GLY 15 N -5.25 1.75 0.41 8.31 0.00 -1.26 -5.03 107.32 106.25 1i88 s GLY 15 Ca -0.23 -1.84 -0.25 0.00 0.00 0.00 0.00 44.72 42.40 1i88 s GLY 15 CO 0.29 -1.21 1.22 2.56 0.00 0.00 0.00 173.10 175.96 1i88 s PRO 16 N -5.20 3.98 0.25 2.90 0.04 -1.26 -4.61 135.00 131.10 1i88 s PRO 16 Ca 0.68 1.95 -0.31 0.00 0.04 0.00 0.00 61.00 63.36 1i88 s PRO 16 Cb -0.04 -2.68 -0.11 0.00 0.04 0.00 0.00 34.50 31.71 1i88 s PRO 16 CO 0.45 -0.41 1.63 0.00 0.04 0.00 0.00 177.00 178.71 1i88 s ALA 17 N -1.37 3.81 -0.04 8.56 0.00 -1.26 -4.45 121.76 127.02 1i88 s ALA 17 Ca 0.58 1.55 0.04 0.00 0.00 0.00 0.00 51.96 54.13 1i88 s ALA 17 Cb -0.33 -3.66 -0.00 0.00 0.00 0.00 0.00 23.12 19.13 1i88 s ALA 17 CO 0.42 -0.93 -0.16 0.99 0.00 0.00 0.00 175.76 176.07 1i88 s THR 18 N 0.52 1.36 -0.30 0.00 2.01 0.09 -0.80 115.64 118.51 1i88 s THR 18 Ca 0.68 -0.68 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 1i88 s THR 18 Cb -0.48 -1.17 0.01 0.00 0.01 0.00 0.00 72.50 70.88 1i88 s THR 18 CO 0.41 0.39 1.05 -0.63 -0.69 0.00 0.00 174.62 175.15 1i88 s ILE 19 N 0.04 4.55 -1.00 1.82 1.01 0.60 -0.73 121.20 127.49 1i88 s ILE 19 Ca -0.03 1.76 0.16 0.00 0.00 0.00 0.00 60.65 62.53 1i88 s ILE 19 Cb -0.11 -4.38 -0.12 0.00 0.01 0.00 0.00 42.46 37.86 1i88 s ILE 19 CO 0.02 -0.42 0.74 0.18 0.00 0.00 0.00 174.94 175.47 1i88 n LEU 20 N 6.74 1.04 -3.58 2.97 4.77 0.97 -0.67 117.00 129.23 1i88 n LEU 20 Ca 0.12 -0.58 -0.11 0.00 -0.03 0.00 0.00 56.01 55.40 1i88 n LEU 20 Cb 0.47 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 1i88 n LEU 20 CO 0.57 0.23 0.75 0.00 -1.33 0.00 0.00 177.39 177.61 1i88 s ALA 21 N -2.34 -1.92 -0.04 -1.18 0.00 -1.23 -4.57 121.76 110.48 1i88 s ALA 21 Ca 0.08 1.59 -0.01 0.00 0.00 0.00 0.00 51.96 53.62 1i88 s ALA 21 Cb 0.13 -0.71 0.03 0.00 0.00 0.00 0.00 23.12 22.57 1i88 s ALA 21 CO 0.58 -0.31 0.08 0.42 0.00 0.00 0.00 175.76 176.54 1i88 s ILE 22 N -1.02 -0.05 0.02 0.00 1.01 -1.26 -1.99 121.20 117.91 1i88 s ILE 22 Ca -0.02 0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.85 1i88 s ILE 22 Cb -0.01 -0.16 -0.01 0.00 0.01 0.00 0.00 42.46 42.29 1i88 s ILE 22 CO 0.02 0.08 -0.07 -0.83 0.00 0.00 0.00 174.94 174.14 1i88 s GLY 23 N 1.11 0.40 0.19 6.18 0.00 -0.24 -4.63 107.32 110.32 1i88 s GLY 23 Ca -0.09 -0.50 0.04 0.00 0.00 0.00 0.00 44.72 44.17 1i88 s GLY 23 CO -0.04 -0.50 -0.05 -0.51 0.00 0.00 0.00 173.10 172.00 1i88 s THR 24 N -0.71 1.07 0.03 0.90 -4.23 -1.26 -0.09 115.64 111.35 1i88 s THR 24 Ca -0.03 -2.04 -0.26 0.00 -1.18 0.00 0.00 61.69 58.17 1i88 s THR 24 Cb -0.06 -2.10 0.06 0.00 1.34 0.00 0.00 72.50 71.74 1i88 s THR 24 CO 0.00 -0.53 0.60 0.00 -0.54 0.00 0.00 174.62 174.15 1i88 s ALA 25 N -3.39 -1.56 0.04 3.99 0.00 0.10 -4.56 121.76 116.38 1i88 s ALA 25 Ca 0.23 0.87 -0.06 0.00 0.00 0.00 0.00 51.96 52.99 1i88 s ALA 25 Cb 0.04 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 1i88 s ALA 25 CO 0.05 -0.50 0.12 -0.80 0.00 0.00 0.00 175.76 174.62 1i88 s ASN 26 N -1.81 0.15 0.76 0.00 -0.87 -1.26 -1.03 114.94 110.88 1i88 s ASN 26 Ca -0.06 -0.50 -0.15 0.00 -1.57 0.00 0.00 52.86 50.57 1i88 s ASN 26 Cb -0.01 0.24 0.01 0.00 -0.02 0.00 0.00 41.25 41.48 1i88 s ASN 26 CO 0.01 -0.52 0.82 -2.65 -2.57 0.00 0.00 177.10 172.19 1i88 n PRO 27 N 0.74 0.30 0.06 -0.60 -0.02 -1.26 -4.92 135.00 129.30 1i88 n PRO 27 Ca -0.19 0.16 -0.05 0.00 -2.02 0.00 0.00 63.50 61.40 1i88 n PRO 27 Cb 0.59 -2.11 0.15 0.00 -0.02 0.00 0.00 33.50 32.11 1i88 n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i88 h ALA 28 N -0.54 0.94 -1.92 3.55 0.00 -1.97 -3.43 119.26 115.89 1i88 h ALA 28 Ca -0.46 -0.46 -0.58 0.00 0.00 0.00 0.00 54.91 53.42 1i88 h ALA 28 Cb 1.33 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1i88 h ALA 28 CO 0.44 0.64 1.26 1.21 0.00 0.00 0.00 179.25 182.80 1i88 s ASN 29 N -6.88 5.98 -0.23 0.00 2.47 -1.26 -4.97 114.94 110.05 1i88 s ASN 29 Ca -0.05 1.43 -0.14 0.00 0.42 0.00 0.00 52.86 54.52 1i88 s ASN 29 Cb 0.13 -2.53 -0.04 0.00 -1.45 0.00 0.00 41.25 37.36 1i88 s ASN 29 CO 0.80 -1.62 0.32 0.00 -3.72 0.00 0.00 177.10 172.88 1i88 s VAL 31 N 1.47 3.36 0.20 0.00 1.01 0.15 -4.98 120.40 121.61 1i88 s VAL 31 Ca 0.14 -1.11 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 1i88 s VAL 31 Cb -0.15 -2.83 -0.08 0.00 0.00 0.00 0.00 36.38 33.32 1i88 s VAL 31 CO 0.08 -0.02 1.23 -1.61 0.00 0.00 0.00 175.10 174.77 1i88 s GLU 32 N 1.35 4.47 0.29 2.72 0.41 -1.26 -1.46 118.70 125.22 1i88 s GLU 32 Ca -0.02 1.93 0.12 0.00 -0.41 0.00 0.00 54.97 56.60 1i88 s GLU 32 Cb -0.18 -3.22 0.42 0.00 -1.78 0.00 0.00 34.13 29.37 1i88 s GLU 32 CO -0.00 -0.12 1.63 0.37 -0.49 0.00 0.00 175.26 176.66 1i88 h GLN 33 N 5.08 0.00 -0.21 1.61 5.75 -1.38 -2.85 115.11 123.11 1i88 h GLN 33 Ca -0.45 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.03 1i88 h GLN 33 Cb 1.21 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.75 1i88 h GLN 33 CO 0.74 0.57 0.06 0.66 -2.65 0.00 0.00 178.83 178.21 1i88 h SER 34 N 0.00 0.27 -0.36 -0.69 4.64 -1.88 -1.99 113.55 113.54 1i88 h SER 34 Ca -0.01 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1i88 h SER 34 Cb 1.06 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1i88 h SER 34 CO 0.07 0.27 0.00 0.35 -0.87 0.00 0.00 176.83 176.65 1i88 n THR 35 N -4.42 0.69 -0.09 2.95 -2.24 -1.21 -4.73 114.28 105.23 1i88 n THR 35 Ca 0.00 -0.84 -0.10 0.00 -2.27 0.00 0.00 64.05 60.84 1i88 n THR 35 Cb 0.14 0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 69.10 1i88 n THR 35 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1i88 h TYR 36 N 3.07 0.45 -0.64 4.78 3.20 -1.11 -2.54 116.97 124.18 1i88 h TYR 36 Ca 0.00 -0.05 0.13 0.00 3.14 0.00 0.00 58.73 61.96 1i88 h TYR 36 Cb 0.79 -0.13 -0.10 0.00 1.54 0.00 0.00 36.73 38.83 1i88 h TYR 36 CO 0.24 0.49 0.07 -1.35 -1.64 0.00 0.00 178.16 175.97 1i88 h PRO 37 N 0.29 0.18 -0.16 1.82 0.11 -1.85 0.22 132.00 132.61 1i88 h PRO 37 Ca 0.09 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 1i88 h PRO 37 Cb 0.25 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 1i88 h PRO 37 CO -0.00 0.12 0.05 -0.44 -0.21 0.00 0.00 178.00 177.51 1i88 h ASP 38 N 0.19 0.23 -0.26 -2.05 3.32 -1.89 -0.49 116.42 115.47 1i88 h ASP 38 Ca 0.34 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 57.19 1i88 h ASP 38 Cb 0.56 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1i88 h ASP 38 CO -0.50 0.38 0.14 0.15 -1.72 0.00 0.00 179.24 177.70 1i88 h PHE 39 N 0.07 0.26 -0.26 4.55 3.57 -0.95 -1.73 116.94 122.45 1i88 h PHE 39 Ca 0.05 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 1i88 h PHE 39 Cb 0.24 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1i88 h PHE 39 CO 0.00 0.15 -0.03 -0.92 -2.23 0.00 0.00 178.31 175.28 1i88 h TYR 40 N 0.29 0.53 -0.03 0.41 3.20 -0.53 -0.85 116.97 119.99 1i88 h TYR 40 Ca 0.10 -0.10 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 1i88 h TYR 40 Cb 0.01 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1i88 h TYR 40 CO -0.08 0.67 -0.38 0.74 -1.64 0.00 0.00 178.16 177.46 1i88 h PHE 41 N 0.24 0.06 -0.01 -3.82 -1.00 -1.08 -2.33 116.94 109.00 1i88 h PHE 41 Ca 0.07 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 1i88 h PHE 41 Cb 0.48 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.02 1i88 h PHE 41 CO 0.04 0.43 -0.05 0.87 -1.61 0.00 0.00 178.31 177.99 1i88 h LYS 42 N 0.05 0.05 0.00 1.51 1.57 -1.19 0.12 116.57 118.68 1i88 h LYS 42 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1i88 h LYS 42 Cb 0.69 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1i88 h LYS 42 CO 0.05 0.70 0.00 0.97 -0.57 0.00 0.00 179.45 180.60 1i88 h ILE 43 N -0.58 0.00 -0.64 1.86 6.09 -1.09 -1.67 117.51 121.47 1i88 h ILE 43 Ca -0.00 -0.36 0.00 0.00 -1.37 0.00 0.00 64.86 63.13 1i88 h ILE 43 Cb 0.71 1.29 0.00 0.00 0.47 0.00 0.00 36.82 39.29 1i88 h ILE 43 CO 0.01 0.00 0.00 0.35 -3.07 0.00 0.00 178.15 175.44 1i88 n THR 44 N -2.91 0.86 -3.69 2.19 -2.24 -0.88 -4.90 114.28 102.71 1i88 n THR 44 Ca 0.00 -0.93 -0.24 0.00 -2.27 0.00 0.00 64.05 60.61 1i88 n THR 44 Cb 0.24 0.64 0.06 0.00 -2.10 0.00 0.00 70.33 69.17 1i88 n THR 44 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1i88 n ASN 45 N 1.61 -4.47 -0.08 3.42 3.02 -0.63 -4.87 115.26 113.27 1i88 n ASN 45 Ca 0.23 -0.67 0.09 0.00 -0.03 0.00 0.00 54.58 54.20 1i88 n ASN 45 Cb 0.62 -4.55 0.12 0.00 -0.61 0.00 0.00 39.78 35.36 1i88 n ASN 45 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1i88 n SER 46 N -2.98 2.25 0.30 6.41 7.64 0.40 -4.76 113.62 122.88 1i88 n SER 46 Ca -0.07 -2.96 0.17 0.00 1.01 0.00 0.00 58.87 57.02 1i88 n SER 46 Cb 0.58 -0.38 0.96 0.00 -1.01 0.00 0.00 64.21 64.36 1i88 n SER 46 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1i88 h GLU 47 N 0.00 0.00 0.00 1.43 4.39 -1.87 -1.21 114.58 117.33 1i88 h GLU 47 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1i88 h GLU 47 Cb 0.97 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 1i88 h GLU 47 CO 0.00 0.03 0.00 -2.39 -1.16 0.00 0.00 179.01 175.49 1i88 n HIS 48 N -3.53 0.50 -2.37 4.33 1.44 -1.26 -4.19 115.22 110.15 1i88 n HIS 48 Ca -0.03 0.16 -0.43 0.00 -2.01 0.00 0.00 57.72 55.42 1i88 n HIS 48 Cb 0.12 -0.76 0.00 0.00 0.12 0.00 0.00 29.99 29.48 1i88 n HIS 48 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1i88 n LYS 49 N -1.92 3.58 -0.10 -1.40 5.02 -0.46 -4.81 118.16 118.06 1i88 n LYS 49 Ca 0.05 -3.52 -0.08 0.00 -2.02 0.00 0.00 58.31 52.74 1i88 n LYS 49 Cb 0.33 -2.95 0.00 0.00 -0.02 0.00 0.00 35.03 32.39 1i88 n LYS 49 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1i88 h THR 50 N 3.83 1.02 -0.47 -0.18 2.02 -1.83 -0.51 112.91 116.79 1i88 h THR 50 Ca 0.39 -0.14 -0.11 0.00 0.77 0.00 0.00 66.41 67.33 1i88 h THR 50 Cb 0.65 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1i88 h THR 50 CO 1.60 0.07 -0.14 -0.33 0.37 0.00 0.00 175.52 177.10 1i88 h GLU 51 N 0.40 0.89 -0.38 6.66 4.39 -1.96 -1.91 114.58 122.67 1i88 h GLU 51 Ca 0.14 -0.33 -0.09 0.00 0.34 0.00 0.00 59.36 59.42 1i88 h GLU 51 Cb 0.02 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1i88 h GLU 51 CO -0.07 0.97 -0.13 1.25 -1.16 0.00 0.00 179.01 179.87 1i88 h LEU 52 N 0.79 0.68 -0.77 1.33 5.85 -1.88 -1.80 115.31 119.51 1i88 h LEU 52 Ca 0.12 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 1i88 h LEU 52 Cb 0.67 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1i88 h LEU 52 CO 0.05 0.83 0.32 0.50 -0.34 0.00 0.00 178.44 179.80 1i88 h LYS 53 N 0.62 1.14 -0.77 1.25 3.64 -0.83 -0.77 116.57 120.85 1i88 h LYS 53 Ca 0.11 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1i88 h LYS 53 Cb 0.58 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1i88 h LYS 53 CO 0.04 0.92 0.35 0.93 -2.27 0.00 0.00 179.45 179.41 1i88 h GLU 54 N 1.10 1.12 -0.75 1.90 5.08 -0.97 0.19 114.58 122.25 1i88 h GLU 54 Ca 0.26 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1i88 h GLU 54 Cb 0.19 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1i88 h GLU 54 CO -0.02 0.88 0.32 0.87 -1.00 0.00 0.00 179.01 180.06 1i88 h LYS 55 N 1.09 1.11 -0.49 2.33 1.57 -0.73 -1.87 116.57 119.58 1i88 h LYS 55 Ca 0.26 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 1i88 h LYS 55 Cb 0.15 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1i88 h LYS 55 CO -0.03 0.90 -0.16 0.35 -0.57 0.00 0.00 179.45 179.94 1i88 h PHE 56 N 1.08 1.10 -0.85 -1.35 3.57 -0.57 -1.39 116.94 118.52 1i88 h PHE 56 Ca 0.25 -0.25 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1i88 h PHE 56 Cb 0.19 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 1i88 h PHE 56 CO 0.02 1.06 0.53 0.37 -2.23 0.00 0.00 178.31 178.05 1i88 h GLN 57 N 0.82 0.93 -0.56 1.11 5.75 -0.37 -0.36 115.11 122.43 1i88 h GLN 57 Ca 0.12 -0.06 -0.11 0.00 -0.15 0.00 0.00 58.65 58.45 1i88 h GLN 57 Cb 0.73 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 1i88 h GLN 57 CO 0.06 0.62 -0.09 -0.09 -2.65 0.00 0.00 178.83 176.67 1i88 h ARG 58 N 0.96 1.05 -0.32 1.69 2.43 -0.98 0.01 114.38 119.22 1i88 h ARG 58 Ca 0.37 -0.38 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1i88 h ARG 58 Cb 0.17 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1i88 h ARG 58 CO -0.17 1.08 0.19 0.52 -1.51 0.00 0.00 179.97 180.07 1i88 h MET 59 N 0.94 0.38 -0.62 0.20 2.86 -0.34 -0.80 114.93 117.55 1i88 h MET 59 Ca 0.15 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1i88 h MET 59 Cb 0.66 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 1i88 h MET 59 CO 0.05 0.25 0.21 0.00 1.06 0.00 0.00 176.91 178.48 1i88 h ASP 61 N 0.87 0.12 0.83 0.00 3.32 -0.73 -2.30 116.42 118.53 1i88 h ASP 61 Ca 0.20 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1i88 h ASP 61 Cb 0.26 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1i88 h ASP 61 CO -0.01 0.38 -0.44 0.29 -1.72 0.00 0.00 179.24 177.74 1i88 n LYS 62 N -4.19 0.16 0.25 3.56 5.02 -0.33 -4.35 118.16 118.27 1i88 n LYS 62 Ca -0.02 0.06 0.08 0.00 -2.02 0.00 0.00 58.31 56.41 1i88 n LYS 62 Cb 0.34 -1.61 0.60 0.00 -0.02 0.00 0.00 35.03 34.34 1i88 n LYS 62 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1i88 h SER 63 N 0.00 0.00 -1.74 4.39 4.64 -0.67 -3.45 113.55 116.71 1i88 h SER 63 Ca 0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 1i88 h SER 63 Cb 0.63 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.68 1i88 h SER 63 CO 0.00 0.10 -0.36 0.23 -0.87 0.00 0.00 176.83 175.93 1i88 n MET 64 N -4.31 -1.18 -4.11 4.77 2.81 -1.26 -4.44 117.12 109.40 1i88 n MET 64 Ca -0.03 0.83 -0.35 0.00 -1.81 0.00 0.00 57.70 56.35 1i88 n MET 64 Cb 0.18 -5.13 -0.13 0.00 -0.71 0.00 0.00 33.22 27.43 1i88 n MET 64 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1i88 s ILE 65 N -2.71 3.78 -0.06 2.02 1.01 -1.26 -3.48 121.20 120.49 1i88 s ILE 65 Ca 0.00 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.30 1i88 s ILE 65 Cb 0.00 -2.70 -0.25 0.00 0.01 0.00 0.00 42.46 39.52 1i88 s ILE 65 CO 0.00 0.44 0.59 0.11 0.00 0.00 0.00 174.94 176.08 1i88 h LYS 66 N 7.51 0.15 -3.02 2.79 1.57 -0.90 -3.43 116.57 121.24 1i88 h LYS 66 Ca -0.36 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.16 1i88 h LYS 66 Cb 1.18 0.10 -0.11 0.00 0.08 0.00 0.00 32.23 33.48 1i88 h LYS 66 CO 0.61 0.90 0.20 -0.98 -0.57 0.00 0.00 179.45 179.60 1i88 s ARG 67 N -2.59 1.38 0.04 3.15 1.70 -1.11 -1.09 118.95 120.44 1i88 s ARG 67 Ca -0.12 -0.59 -0.00 0.00 -0.47 0.00 0.00 55.73 54.54 1i88 s ARG 67 Cb 0.07 0.59 -0.03 0.00 -0.57 0.00 0.00 34.95 35.01 1i88 s ARG 67 CO 0.81 -0.61 -0.03 1.03 -1.08 0.00 0.00 175.30 175.41 1i88 s ARG 68 N -3.79 0.48 -0.19 3.89 0.52 -0.54 -3.14 118.95 116.18 1i88 s ARG 68 Ca 0.03 -0.93 -0.07 0.00 -0.52 0.00 0.00 55.73 54.24 1i88 s ARG 68 Cb -0.02 0.11 -0.04 0.00 0.52 0.00 0.00 34.95 35.52 1i88 s ARG 68 CO -0.09 -0.07 0.06 0.71 0.02 0.00 0.00 175.30 175.94 1i88 s TYR 69 N -2.65 3.22 -0.02 -0.53 1.51 -1.26 0.29 117.35 117.90 1i88 s TYR 69 Ca -0.04 -0.01 0.04 0.00 -1.01 0.00 0.00 57.07 56.05 1i88 s TYR 69 Cb -0.01 -2.11 -0.01 0.00 -0.11 0.00 0.00 41.96 39.72 1i88 s TYR 69 CO -0.05 0.06 -0.14 -1.64 -1.11 0.00 0.00 175.55 172.67 1i88 s MET 70 N 0.61 1.30 0.16 -0.62 -1.94 -0.37 -1.24 119.30 117.19 1i88 s MET 70 Ca 0.03 -0.49 -0.11 0.00 -1.71 0.00 0.00 55.69 53.42 1i88 s MET 70 Cb -0.13 -1.20 0.03 0.00 2.01 0.00 0.00 34.83 35.54 1i88 s MET 70 CO 0.01 0.24 1.60 -0.92 -0.01 0.00 0.00 175.02 175.94 1i88 h TYR 71 N 6.08 1.07 -3.22 -0.03 3.20 -1.93 -3.39 116.97 118.75 1i88 h TYR 71 Ca -0.34 -0.21 -0.53 0.00 3.14 0.00 0.00 58.73 60.80 1i88 h TYR 71 Cb 1.17 -0.27 0.04 0.00 1.54 0.00 0.00 36.73 39.20 1i88 h TYR 71 CO 0.42 0.99 0.73 -0.51 -1.64 0.00 0.00 178.16 178.15 1i88 s LEU 72 N -9.29 4.39 0.38 2.82 1.43 -1.26 -4.99 118.68 112.16 1i88 s LEU 72 Ca -0.12 2.48 0.06 0.00 -1.03 0.00 0.00 54.13 55.52 1i88 s LEU 72 Cb 0.12 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.66 1i88 s LEU 72 CO 0.85 -0.64 0.03 0.42 0.23 0.00 0.00 176.35 177.23 1i88 s THR 73 N 0.44 1.67 0.20 5.49 -4.23 -1.26 -5.01 115.64 112.93 1i88 s THR 73 Ca 0.61 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.01 1i88 s THR 73 Cb -0.39 -2.91 0.12 0.00 1.34 0.00 0.00 72.50 70.65 1i88 s THR 73 CO 0.37 0.00 1.82 -0.08 -0.54 0.00 0.00 174.62 176.19 1i88 h GLU 74 N 1.90 0.70 -0.01 3.99 4.81 -1.99 -0.83 114.58 123.16 1i88 h GLU 74 Ca -0.43 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1i88 h GLU 74 Cb 1.24 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1i88 h GLU 74 CO 0.76 0.46 -0.04 1.49 -0.73 0.00 0.00 179.01 180.95 1i88 h GLU 75 N 0.72 -0.07 -0.83 1.92 4.81 -1.99 -0.25 114.58 118.89 1i88 h GLU 75 Ca 0.26 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1i88 h GLU 75 Cb 0.06 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1i88 h GLU 75 CO -0.12 -0.05 0.51 0.82 -0.73 0.00 0.00 179.01 179.44 1i88 h ILE 76 N -0.08 1.23 -0.27 2.32 2.04 -1.89 -2.26 117.51 118.60 1i88 h ILE 76 Ca 0.02 -0.48 -0.09 0.00 1.00 0.00 0.00 64.86 65.31 1i88 h ILE 76 Cb 0.10 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1i88 h ILE 76 CO -0.05 0.23 -0.24 -0.07 0.00 0.00 0.00 178.15 178.02 1i88 h LEU 77 N 1.13 0.51 -1.44 1.44 3.38 -0.93 -2.33 115.31 117.06 1i88 h LEU 77 Ca 0.30 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1i88 h LEU 77 Cb -0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1i88 h LEU 77 CO -0.06 0.74 -0.24 0.11 0.09 0.00 0.00 178.44 179.09 1i88 h LYS 78 N 0.45 0.00 -0.00 1.13 1.57 -0.59 -1.46 116.57 117.68 1i88 h LYS 78 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1i88 h LYS 78 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1i88 h LYS 78 CO 0.05 0.24 -0.06 0.39 -0.57 0.00 0.00 179.45 179.50 1i88 n GLU 79 N -3.66 0.27 -3.27 3.15 1.02 -0.89 -4.41 120.64 112.86 1i88 n GLU 79 Ca -0.01 -0.04 -0.25 0.00 -0.02 0.00 0.00 57.16 56.84 1i88 n GLU 79 Cb 0.36 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.21 1i88 n GLU 79 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1i88 n ASN 80 N -1.33 1.59 -0.01 1.62 3.02 -0.55 -4.94 115.26 114.66 1i88 n ASN 80 Ca 0.11 -3.00 0.09 0.00 -0.03 0.00 0.00 54.58 51.75 1i88 n ASN 80 Cb 0.29 -0.65 0.50 0.00 -0.61 0.00 0.00 39.78 39.31 1i88 n ASN 80 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1i88 h PRO 81 N 4.00 0.38 -0.24 3.52 0.13 -1.77 -0.97 132.00 137.06 1i88 h PRO 81 Ca 0.12 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.21 1i88 h PRO 81 Cb 0.80 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 1i88 h PRO 81 CO 0.61 0.25 0.06 -0.91 -0.23 0.00 0.00 178.00 177.78 1i88 h ASN 82 N 0.40 0.30 0.97 1.44 -0.26 -1.91 -1.71 115.58 114.80 1i88 h ASN 82 Ca 0.20 -0.03 -0.08 0.00 -0.56 0.00 0.00 56.30 55.83 1i88 h ASN 82 Cb 0.30 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 1i88 h ASN 82 CO -0.05 0.31 -0.40 0.58 -1.06 0.00 0.00 177.43 176.80 1i88 h VAL 83 N 0.33 0.88 0.00 2.81 2.07 -1.50 -3.15 116.25 117.69 1i88 h VAL 83 Ca 0.08 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.94 1i88 h VAL 83 Cb 0.13 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1i88 h VAL 83 CO -0.00 0.40 -0.17 0.00 0.02 0.00 0.00 177.57 177.81 1i88 s GLU 85 N -3.20 3.21 0.10 0.00 2.02 -0.99 -2.58 118.70 117.26 1i88 s GLU 85 Ca 0.07 1.01 -0.21 0.00 0.02 0.00 0.00 54.97 55.85 1i88 s GLU 85 Cb 0.08 -2.02 -0.10 0.00 0.10 0.00 0.00 34.13 32.18 1i88 s GLU 85 CO 0.67 -0.89 1.72 -0.92 0.02 0.00 0.00 175.26 175.87 1i88 h TYR 86 N -0.20 0.18 -2.26 1.61 3.20 -1.86 -2.27 116.97 115.37 1i88 h TYR 86 Ca -0.45 -0.00 -0.52 0.00 3.14 0.00 0.00 58.73 60.90 1i88 h TYR 86 Cb 1.21 -0.06 -0.36 0.00 1.54 0.00 0.00 36.73 39.06 1i88 h TYR 86 CO 0.62 0.16 -0.86 1.41 -1.64 0.00 0.00 178.16 177.84 1i88 s MET 87 N -6.01 0.77 0.07 1.82 1.75 -1.26 -4.57 119.30 111.87 1i88 s MET 87 Ca -0.13 -1.61 0.06 0.00 -1.25 0.00 0.00 55.69 52.76 1i88 s MET 87 Cb 0.07 -1.17 -0.03 0.00 2.84 0.00 0.00 34.83 36.55 1i88 s MET 87 CO 0.68 -1.30 -0.16 0.00 -0.65 0.00 0.00 175.02 173.59 1i88 s ALA 88 N 0.63 1.34 -0.06 4.11 0.00 -1.26 -5.04 121.76 121.48 1i88 s ALA 88 Ca 0.26 -1.01 -0.32 0.00 0.00 0.00 0.00 51.96 50.89 1i88 s ALA 88 Cb -0.07 -0.16 -0.10 0.00 0.00 0.00 0.00 23.12 22.79 1i88 s ALA 88 CO -0.10 0.23 1.98 -0.35 0.00 0.00 0.00 175.76 177.53 1i88 n PRO 89 N 1.43 2.43 0.00 0.00 -0.04 -1.26 -4.28 135.00 133.28 1i88 n PRO 89 Ca -0.20 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 1i88 n PRO 89 Cb 0.54 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 1i88 n PRO 89 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1i88 n SER 90 N 7.85 0.00 -0.24 3.54 3.41 0.10 -4.88 113.62 123.40 1i88 n SER 90 Ca 0.23 -1.00 -0.02 0.00 -0.26 0.00 0.00 58.87 57.82 1i88 n SER 90 Cb 0.36 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.47 1i88 n SER 90 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1i88 h LEU 91 N 0.00 0.96 -0.46 1.04 5.85 -1.16 -1.57 115.31 119.96 1i88 h LEU 91 Ca 0.00 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1i88 h LEU 91 Cb 0.92 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1i88 h LEU 91 CO 0.00 0.79 0.24 0.44 -0.34 0.00 0.00 178.44 179.57 1i88 h ASP 92 N 1.06 0.60 -0.65 1.25 5.19 -1.93 0.28 116.42 122.22 1i88 h ASP 92 Ca 0.26 -0.11 -0.04 0.00 -0.62 0.00 0.00 57.03 56.52 1i88 h ASP 92 Cb 0.08 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.41 1i88 h ASP 92 CO -0.04 0.54 0.26 0.00 -3.12 0.00 0.00 179.24 176.88 1i88 h ALA 93 N 1.08 0.84 -0.31 3.45 0.00 -1.89 -0.48 119.26 121.95 1i88 h ALA 93 Ca 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1i88 h ALA 93 Cb 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1i88 h ALA 93 CO -0.02 0.46 0.03 0.00 0.00 0.00 0.00 179.25 179.71 1i88 h ARG 94 N 0.91 0.53 -0.72 0.00 3.08 -0.72 -2.78 114.38 114.68 1i88 h ARG 94 Ca 0.22 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 60.14 1i88 h ARG 94 Cb 0.20 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 1i88 h ARG 94 CO -0.02 0.65 0.45 1.96 -1.07 0.00 0.00 179.97 181.94 1i88 h GLN 95 N 0.34 0.85 -0.36 0.04 1.08 -0.34 -1.38 115.11 115.34 1i88 h GLN 95 Ca 0.09 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1i88 h GLN 95 Cb 0.39 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1i88 h GLN 95 CO 0.01 0.57 0.23 -0.44 -0.95 0.00 0.00 178.83 178.25 1i88 h ASP 96 N 0.88 0.42 0.19 1.46 3.32 -0.97 0.68 116.42 122.40 1i88 h ASP 96 Ca 0.29 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 1i88 h ASP 96 Cb 0.02 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1i88 h ASP 96 CO -0.11 0.32 -0.09 0.24 -1.72 0.00 0.00 179.24 177.87 1i88 h MET 97 N 0.50 -0.25 0.00 3.56 2.86 -1.13 -3.37 114.93 117.09 1i88 h MET 97 Ca 0.13 0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.73 1i88 h MET 97 Cb -0.04 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1i88 h MET 97 CO -0.03 0.16 -0.30 -0.39 1.06 0.00 0.00 176.91 177.41 1i88 h VAL 98 N -0.80 0.55 -0.31 -2.22 -1.51 -0.87 -0.92 116.25 110.17 1i88 h VAL 98 Ca -0.03 -1.63 -0.02 0.00 -1.23 0.00 0.00 66.70 63.79 1i88 h VAL 98 Cb 0.52 2.15 -0.02 0.00 -2.13 0.00 0.00 31.29 31.81 1i88 h VAL 98 CO 0.04 0.30 0.09 1.62 -1.23 0.00 0.00 177.57 178.39 1i88 h VAL 99 N 0.00 1.14 0.08 7.19 3.04 -1.05 -1.05 116.25 125.60 1i88 h VAL 99 Ca -0.00 -0.49 -0.30 0.00 -1.01 0.00 0.00 66.70 64.90 1i88 h VAL 99 Cb 1.13 0.82 -0.02 0.00 -2.01 0.00 0.00 31.29 31.20 1i88 h VAL 99 CO 0.04 0.18 -1.61 0.58 -1.01 0.00 0.00 177.57 175.74 1i88 h VAL 100 N 0.44 0.81 -0.22 1.51 2.07 -1.71 -3.41 116.25 115.75 1i88 h VAL 100 Ca 0.11 -2.29 -0.12 0.00 0.82 0.00 0.00 66.70 65.21 1i88 h VAL 100 Cb 0.16 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1i88 h VAL 100 CO -0.01 0.65 -0.37 -0.08 0.02 0.00 0.00 177.57 177.78 1i88 h GLU 101 N -0.39 0.48 0.25 1.57 4.57 -1.03 -2.00 114.58 118.03 1i88 h GLU 101 Ca -0.37 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 57.57 1i88 h GLU 101 Cb 1.72 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 30.30 1i88 h GLU 101 CO -0.02 0.78 -0.13 0.28 -1.18 0.00 0.00 179.01 178.73 1i88 h VAL 102 N 0.40 0.72 0.00 0.32 2.07 -1.44 -0.70 116.25 117.62 1i88 h VAL 102 Ca 0.04 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 1i88 h VAL 102 Cb 0.83 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1i88 h VAL 102 CO 0.07 0.00 -0.44 1.55 0.02 0.00 0.00 177.57 178.77 1i88 h PRO 103 N -0.36 0.00 0.04 1.57 0.13 -1.78 -1.25 132.00 130.36 1i88 h PRO 103 Ca -0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1i88 h PRO 103 Cb 0.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.42 1i88 h PRO 103 CO 0.04 0.44 -0.02 -0.09 -0.23 0.00 0.00 178.00 178.14 1i88 h ARG 104 N 0.00 -0.05 -0.25 0.86 2.43 -1.03 0.57 114.38 116.91 1i88 h ARG 104 Ca -0.00 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 1i88 h ARG 104 Cb 0.82 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 1i88 h ARG 104 CO 0.06 0.08 -0.42 1.25 -1.51 0.00 0.00 179.97 179.43 1i88 h LEU 105 N -0.18 0.64 -0.77 3.80 5.85 -1.10 -2.71 115.31 120.85 1i88 h LEU 105 Ca -0.01 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1i88 h LEU 105 Cb 0.16 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1i88 h LEU 105 CO 0.01 0.98 0.41 1.23 -0.34 0.00 0.00 178.44 180.73 1i88 h GLY 106 N 1.03 1.15 1.01 3.75 0.00 -1.06 -2.48 103.07 106.47 1i88 h GLY 106 Ca 0.04 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 1i88 h GLY 106 CO 0.08 0.51 0.34 1.70 0.00 0.00 0.00 176.54 179.18 1i88 h LYS 107 N 1.06 1.01 -0.34 4.80 3.64 -0.66 0.12 116.57 126.20 1i88 h LYS 107 Ca 0.27 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 1i88 h LYS 107 Cb 0.06 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1i88 h LYS 107 CO -0.04 0.80 0.14 0.93 -2.27 0.00 0.00 179.45 179.01 1i88 h GLU 108 N 0.98 0.29 -0.52 1.90 5.08 -1.14 0.12 114.58 121.30 1i88 h GLU 108 Ca 0.24 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.49 1i88 h GLU 108 Cb 0.12 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1i88 h GLU 108 CO -0.03 0.19 -0.03 0.00 -1.00 0.00 0.00 179.01 178.14 1i88 h ALA 109 N 1.20 0.70 -0.55 3.43 0.00 -1.21 -2.87 119.26 119.96 1i88 h ALA 109 Ca 0.15 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1i88 h ALA 109 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1i88 h ALA 109 CO -0.13 0.54 -0.05 0.00 0.00 0.00 0.00 179.25 179.61 1i88 h ALA 110 N 0.93 0.88 -0.55 0.00 0.00 -0.25 -1.50 119.26 118.77 1i88 h ALA 110 Ca 0.14 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1i88 h ALA 110 Cb 0.56 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1i88 h ALA 110 CO 0.03 0.65 0.16 0.28 0.00 0.00 0.00 179.25 180.38 1i88 h VAL 111 N 0.89 1.22 -0.45 0.00 2.07 -0.74 0.55 116.25 119.79 1i88 h VAL 111 Ca 0.15 -0.75 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 1i88 h VAL 111 Cb 0.59 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1i88 h VAL 111 CO 0.04 0.29 -0.07 0.11 0.02 0.00 0.00 177.57 177.95 1i88 h LYS 112 N 0.80 0.84 -0.50 1.57 1.57 -1.24 -0.96 116.57 118.65 1i88 h LYS 112 Ca 0.18 -0.31 -0.08 0.00 -1.87 0.00 0.00 60.65 58.58 1i88 h LYS 112 Cb 0.25 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1i88 h LYS 112 CO -0.01 0.93 0.01 0.00 -0.57 0.00 0.00 179.45 179.81 1i88 h ALA 113 N 0.88 0.67 -0.45 3.86 0.00 -0.78 -1.92 119.26 121.52 1i88 h ALA 113 Ca 0.12 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1i88 h ALA 113 Cb 0.60 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1i88 h ALA 113 CO 0.04 0.48 0.05 0.82 0.00 0.00 0.00 179.25 180.63 1i88 h ILE 114 N 0.74 1.22 -0.38 0.00 2.04 -0.76 -1.01 117.51 119.36 1i88 h ILE 114 Ca 0.14 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1i88 h ILE 114 Cb 0.51 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1i88 h ILE 114 CO 0.02 0.30 0.11 0.50 0.00 0.00 0.00 178.15 179.08 1i88 h LYS 115 N 0.67 0.59 -0.33 2.37 3.64 -0.90 -0.04 116.57 122.57 1i88 h LYS 115 Ca 0.14 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1i88 h LYS 115 Cb 0.34 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1i88 h LYS 115 CO 0.01 0.61 0.15 1.49 -2.27 0.00 0.00 179.45 179.44 1i88 h GLU 116 N 0.46 0.49 -0.33 1.90 4.81 -0.98 -2.97 114.58 117.96 1i88 h GLU 116 Ca 0.12 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1i88 h GLU 116 Cb 0.27 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 1i88 h GLU 116 CO -0.00 0.47 0.08 2.35 -0.73 0.00 0.00 179.01 181.18 1i88 h TRP 117 N 0.40 0.14 0.00 0.92 7.01 -0.90 -3.47 115.95 120.06 1i88 h TRP 117 Ca 0.11 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.13 1i88 h TRP 117 Cb 0.15 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 1i88 h TRP 117 CO -0.01 0.04 0.00 0.41 -2.79 0.00 0.00 178.44 176.09 1i88 n GLY 118 N -1.22 0.72 3.91 2.65 0.00 -0.05 -4.87 105.19 106.33 1i88 n GLY 118 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1i88 n GLY 118 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i88 s GLN 119 N -0.10 3.16 0.32 1.61 -1.52 -1.26 -5.06 119.66 116.81 1i88 s GLN 119 Ca 0.00 -0.94 -0.29 0.00 -1.95 0.00 0.00 55.36 52.18 1i88 s GLN 119 Cb 0.00 -2.73 -0.11 0.00 -0.22 0.00 0.00 33.01 29.95 1i88 s GLN 119 CO 0.00 0.36 1.56 -2.30 -0.25 0.00 0.00 175.29 174.66 1i88 n PRO 120 N -1.34 2.68 0.29 2.91 -0.02 -1.26 -4.88 135.00 133.38 1i88 n PRO 120 Ca -0.07 0.95 0.17 0.00 -2.02 0.00 0.00 63.50 62.53 1i88 n PRO 120 Cb 0.58 -2.71 0.85 0.00 -0.02 0.00 0.00 33.50 32.20 1i88 n PRO 120 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1i88 h LYS 121 N 4.18 0.00 0.00 -0.52 2.10 -1.96 -0.68 116.57 119.69 1i88 h LYS 121 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1i88 h LYS 121 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1i88 h LYS 121 CO 0.74 0.04 0.00 -1.13 -2.00 0.00 0.00 179.45 177.11 1i88 n SER 122 N -3.26 0.22 -0.44 7.07 3.41 -1.26 -1.63 113.62 117.72 1i88 n SER 122 Ca -0.01 0.57 0.14 0.00 -0.26 0.00 0.00 58.87 59.31 1i88 n SER 122 Cb 0.22 -0.61 0.48 0.00 -0.26 0.00 0.00 64.21 64.04 1i88 n SER 122 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1i88 n LYS 123 N -1.76 1.51 -2.44 4.33 4.76 -0.26 -4.81 118.16 119.49 1i88 n LYS 123 Ca 0.01 -0.89 -0.43 0.00 -2.87 0.00 0.00 58.31 54.13 1i88 n LYS 123 Cb 0.11 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 31.80 1i88 n LYS 123 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1i88 s ILE 124 N -2.11 4.21 -0.07 -0.18 1.01 -0.65 -4.27 121.20 119.14 1i88 s ILE 124 Ca 0.35 1.39 0.21 0.00 0.00 0.00 0.00 60.65 62.60 1i88 s ILE 124 Cb 0.21 -4.14 -0.32 0.00 0.01 0.00 0.00 42.46 38.22 1i88 s ILE 124 CO 0.37 -0.39 0.38 0.35 0.00 0.00 0.00 174.94 175.65 1i88 n THR 125 N 5.99 0.33 -4.07 2.92 -2.24 -0.13 -4.76 114.28 112.31 1i88 n THR 125 Ca 0.14 -0.58 -0.13 0.00 -2.27 0.00 0.00 64.05 61.21 1i88 n THR 125 Cb 0.46 -0.11 -0.12 0.00 -2.10 0.00 0.00 70.33 68.46 1i88 n THR 125 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1i88 s HIS 126 N -3.27 0.56 -0.08 4.78 3.76 -1.07 -0.84 115.29 119.13 1i88 s HIS 126 Ca -0.08 -0.38 -0.00 0.00 -0.15 0.00 0.00 55.06 54.44 1i88 s HIS 126 Cb 0.12 -0.34 0.02 0.00 1.11 0.00 0.00 32.58 33.49 1i88 s HIS 126 CO 0.88 -0.07 -0.04 -1.17 -0.85 0.00 0.00 174.74 173.49 1i88 s LEU 127 N -1.14 1.01 -0.19 0.89 2.96 0.32 -0.79 118.68 121.72 1i88 s LEU 127 Ca -0.07 -0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.64 1i88 s LEU 127 Cb -0.08 -0.58 -0.01 0.00 0.50 0.00 0.00 46.19 46.02 1i88 s LEU 127 CO 0.00 -0.12 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.22 1i88 s ILE 128 N 1.55 3.39 -0.10 6.68 1.01 -0.02 -0.69 121.20 133.02 1i88 s ILE 128 Ca -0.00 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.18 1i88 s ILE 128 Cb -0.13 -2.51 -0.00 0.00 0.01 0.00 0.00 42.46 39.83 1i88 s ILE 128 CO -0.04 0.45 -0.23 -0.69 0.00 0.00 0.00 174.94 174.43 1i88 s VAL 129 N 1.09 2.12 -0.06 2.92 1.01 -0.52 -0.36 120.40 126.61 1i88 s VAL 129 Ca 0.01 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1i88 s VAL 129 Cb -0.15 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.45 1i88 s VAL 129 CO -0.01 0.56 -0.09 0.00 0.00 0.00 0.00 175.10 175.57 1i88 s THR 131 N 0.77 0.05 -1.00 0.00 -1.32 -0.57 -1.33 115.64 112.25 1i88 s THR 131 Ca -0.13 -0.45 0.10 0.00 -1.21 0.00 0.00 61.69 60.00 1i88 s THR 131 Cb -0.15 -0.82 0.22 0.00 -1.51 0.00 0.00 72.50 70.24 1i88 s THR 131 CO 0.02 -0.25 1.12 0.41 -2.21 0.00 0.00 174.62 173.71 1i88 n THR 132 N 0.86 0.70 -4.02 5.08 -1.04 -1.26 -1.45 114.28 113.15 1i88 n THR 132 Ca -0.20 -0.85 -0.31 0.00 -2.04 0.00 0.00 64.05 60.65 1i88 n THR 132 Cb 0.58 0.71 -0.15 0.00 -1.82 0.00 0.00 70.33 69.65 1i88 n THR 132 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1i88 s SER 133 N -0.96 4.76 0.00 8.00 1.04 -1.26 -4.74 113.70 120.53 1i88 s SER 133 Ca 0.19 -2.19 0.00 0.00 0.48 0.00 0.00 55.95 54.43 1i88 s SER 133 Cb 0.10 -1.63 0.00 0.00 0.10 0.00 0.00 66.02 64.59 1i88 s SER 133 CO 0.14 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1i88 n GLY 134 N 4.21 -1.53 3.10 7.32 0.00 -1.26 -4.79 105.19 112.24 1i88 n GLY 134 Ca 0.04 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 1i88 n GLY 134 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1i88 s VAL 135 N -3.04 0.11 0.10 1.61 -7.23 -1.26 -4.74 120.40 105.95 1i88 s VAL 135 Ca 0.00 -0.90 -0.26 0.00 -1.81 0.00 0.00 61.98 59.01 1i88 s VAL 135 Cb 0.00 -0.62 0.08 0.00 0.56 0.00 0.00 36.38 36.40 1i88 s VAL 135 CO 0.00 -0.50 0.80 -0.62 -0.31 0.00 0.00 175.10 174.48 1i88 s ASP 136 N -1.73 -0.38 0.01 4.85 2.15 -1.26 -4.99 116.67 115.32 1i88 s ASP 136 Ca -0.11 -0.14 0.06 0.00 0.43 0.00 0.00 52.55 52.79 1i88 s ASP 136 Cb -0.05 0.50 -0.02 0.00 -0.30 0.00 0.00 42.92 43.05 1i88 s ASP 136 CO -0.01 -0.85 -0.17 -0.04 -0.17 0.00 0.00 175.17 173.93 1i88 s MET 137 N -3.41 1.29 0.06 4.34 -1.94 -1.26 -3.02 119.30 115.35 1i88 s MET 137 Ca 0.06 -0.71 -0.05 0.00 -1.71 0.00 0.00 55.69 53.28 1i88 s MET 137 Cb -0.02 -1.29 -0.03 0.00 2.01 0.00 0.00 34.83 35.50 1i88 s MET 137 CO -0.06 0.34 0.06 -2.30 -0.01 0.00 0.00 175.02 173.05 1i88 n PRO 138 N 2.33 0.00 -0.45 2.03 -0.02 -1.26 -5.15 135.00 132.48 1i88 n PRO 138 Ca -0.16 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.28 1i88 n PRO 138 Cb 0.54 -0.20 0.03 0.00 -0.02 0.00 0.00 33.50 33.85 1i88 n PRO 138 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i88 n GLY 139 N 0.43 -0.61 0.31 -1.23 0.00 -1.17 -4.88 105.19 98.04 1i88 n GLY 139 Ca 0.03 -1.76 0.19 0.00 0.00 0.00 0.00 46.02 44.48 1i88 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i88 h ALA 140 N -1.53 1.10 -0.27 4.61 0.00 -1.93 -1.45 119.26 119.79 1i88 h ALA 140 Ca -0.06 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1i88 h ALA 140 Cb 0.17 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1i88 h ALA 140 CO 0.05 0.03 -0.11 0.38 0.00 0.00 0.00 179.25 179.59 1i88 h ASP 141 N 0.00 0.57 -0.56 0.00 2.03 -1.93 -0.19 116.42 116.34 1i88 h ASP 141 Ca -0.00 -0.40 -0.04 0.00 -0.73 0.00 0.00 57.03 55.86 1i88 h ASP 141 Cb 0.18 -0.16 -0.02 0.00 -0.83 0.00 0.00 39.33 38.50 1i88 h ASP 141 CO 0.00 0.84 0.20 0.22 -1.03 0.00 0.00 179.24 179.47 1i88 h TYR 142 N 0.30 0.88 -0.66 4.15 3.20 -1.64 -1.14 116.97 122.06 1i88 h TYR 142 Ca 0.06 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1i88 h TYR 142 Cb 0.61 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 1i88 h TYR 142 CO 0.06 0.73 0.27 1.96 -1.64 0.00 0.00 178.16 179.53 1i88 h GLN 143 N 0.78 0.99 -0.15 1.82 1.08 -1.19 -1.80 115.11 116.63 1i88 h GLN 143 Ca 0.18 -0.18 -0.11 0.00 -1.45 0.00 0.00 58.65 57.09 1i88 h GLN 143 Cb 0.24 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 1i88 h GLN 143 CO -0.01 0.82 -0.40 -0.07 -0.95 0.00 0.00 178.83 178.22 1i88 h LEU 144 N 0.93 0.35 -0.40 1.46 3.38 -0.91 0.18 115.31 120.29 1i88 h LEU 144 Ca 0.22 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1i88 h LEU 144 Cb 0.20 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1i88 h LEU 144 CO -0.02 0.72 0.18 0.74 0.09 0.00 0.00 178.44 180.16 1i88 h THR 145 N 0.28 0.95 0.24 0.22 2.02 -0.84 -0.07 112.91 115.71 1i88 h THR 145 Ca 0.03 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1i88 h THR 145 Cb 0.83 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1i88 h THR 145 CO 0.07 0.07 -0.12 0.50 0.37 0.00 0.00 175.52 176.41 1i88 h LYS 146 N 0.38 -0.32 -0.54 6.66 3.64 -0.98 -1.57 116.57 123.84 1i88 h LYS 146 Ca 0.17 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1i88 h LYS 146 Cb 0.10 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1i88 h LYS 146 CO -0.14 -0.02 0.31 -0.07 -2.27 0.00 0.00 179.45 177.26 1i88 h LEU 147 N -0.61 0.64 0.00 5.20 3.38 -0.53 -2.89 115.31 120.49 1i88 h LEU 147 Ca -0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1i88 h LEU 147 Cb 0.44 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1i88 h LEU 147 CO 0.06 0.51 -0.56 0.18 0.09 0.00 0.00 178.44 178.72 1i88 n LEU 148 N -4.41 0.58 -1.95 1.67 4.77 -0.05 -4.97 117.00 112.63 1i88 n LEU 148 Ca 0.05 0.14 -0.13 0.00 -0.03 0.00 0.00 56.01 56.04 1i88 n LEU 148 Cb 0.09 -0.22 0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1i88 n LEU 148 CO 0.36 0.03 0.07 0.61 -1.33 0.00 0.00 177.39 177.13 1i88 n GLY 149 N 1.41 0.08 3.78 -0.72 0.00 -0.77 -5.02 105.19 103.95 1i88 n GLY 149 Ca 0.04 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1i88 n GLY 149 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i88 s LEU 150 N -4.13 2.68 0.62 0.99 1.43 -0.66 -4.85 118.68 114.76 1i88 s LEU 150 Ca 0.24 1.50 -0.19 0.00 -1.03 0.00 0.00 54.13 54.65 1i88 s LEU 150 Cb -0.11 -4.13 -0.02 0.00 0.03 0.00 0.00 46.19 41.97 1i88 s LEU 150 CO 0.30 -2.05 1.29 -0.13 0.23 0.00 0.00 176.35 175.98 1i88 s ARG 151 N -5.04 2.72 0.51 1.70 1.81 -1.26 -4.87 118.95 114.52 1i88 s ARG 151 Ca 0.61 2.06 0.32 0.00 -1.72 0.00 0.00 55.73 57.00 1i88 s ARG 151 Cb -0.16 -1.93 1.33 0.00 -0.45 0.00 0.00 34.95 33.74 1i88 s ARG 151 CO 0.55 -1.46 1.95 -1.00 -0.68 0.00 0.00 175.30 174.66 1i88 h PRO 152 N 0.76 0.00 -0.65 3.54 0.13 -1.95 -1.59 132.00 132.24 1i88 h PRO 152 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1i88 h PRO 152 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1i88 h PRO 152 CO 0.54 0.00 0.00 2.48 -0.23 0.00 0.00 178.00 180.79 1i88 n TYR 153 N -2.97 1.46 -1.84 1.56 0.18 -1.26 -4.94 117.16 109.34 1i88 n TYR 153 Ca 0.01 -0.54 -0.41 0.00 1.88 0.00 0.00 57.90 58.84 1i88 n TYR 153 Cb 0.29 -0.32 -0.00 0.00 -0.38 0.00 0.00 39.34 38.93 1i88 n TYR 153 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1i88 s VAL 154 N -2.10 2.14 -0.33 -3.48 0.11 -0.60 -4.94 120.40 111.20 1i88 s VAL 154 Ca 0.43 0.14 -0.21 0.00 -2.93 0.00 0.00 61.98 59.41 1i88 s VAL 154 Cb 0.30 -3.09 -0.00 0.00 -1.53 0.00 0.00 36.38 32.06 1i88 s VAL 154 CO 0.17 0.03 0.65 -0.54 -3.33 0.00 0.00 175.10 172.08 1i88 s LYS 155 N -2.10 3.81 0.01 1.54 1.02 -0.02 -4.89 119.74 119.10 1i88 s LYS 155 Ca 0.53 0.22 -0.00 0.00 0.02 0.00 0.00 55.97 56.74 1i88 s LYS 155 Cb -0.45 -3.76 -0.04 0.00 -0.52 0.00 0.00 37.83 33.06 1i88 s LYS 155 CO 0.61 -0.65 0.09 1.03 -0.92 0.00 0.00 175.35 175.50 1i88 s ARG 156 N 2.69 3.07 -0.28 1.68 0.52 -1.26 -0.52 118.95 124.85 1i88 s ARG 156 Ca 0.25 -0.50 -0.02 0.00 -0.52 0.00 0.00 55.73 54.94 1i88 s ARG 156 Cb -0.15 -2.86 0.09 0.00 0.52 0.00 0.00 34.95 32.56 1i88 s ARG 156 CO 0.13 0.64 0.09 0.71 0.02 0.00 0.00 175.30 176.89 1i88 s TYR 157 N -1.23 1.16 -0.49 -0.53 1.51 0.13 -4.94 117.35 112.96 1i88 s TYR 157 Ca 0.24 -1.29 -0.17 0.00 -1.01 0.00 0.00 57.07 54.84 1i88 s TYR 157 Cb -0.12 -1.33 0.07 0.00 -0.11 0.00 0.00 41.96 40.47 1i88 s TYR 157 CO 0.15 -0.80 0.48 1.41 -1.11 0.00 0.00 175.55 175.69 1i88 s MET 158 N 1.81 3.03 -0.57 -0.62 1.75 -1.26 -1.43 119.30 122.01 1i88 s MET 158 Ca 0.07 -1.20 -0.16 0.00 -1.25 0.00 0.00 55.69 53.15 1i88 s MET 158 Cb -0.17 -4.13 0.13 0.00 2.84 0.00 0.00 34.83 33.51 1i88 s MET 158 CO -0.24 -1.11 0.54 -1.64 -0.65 0.00 0.00 175.02 171.92 1i88 s MET 159 N 2.00 3.04 0.09 4.11 -1.94 0.98 -5.00 119.30 122.59 1i88 s MET 159 Ca 0.08 -1.72 0.03 0.00 -1.71 0.00 0.00 55.69 52.37 1i88 s MET 159 Cb -0.23 -4.31 -0.04 0.00 2.01 0.00 0.00 34.83 32.27 1i88 s MET 159 CO 0.08 -1.35 0.14 0.71 -0.01 0.00 0.00 175.02 174.59 1i88 s TYR 160 N 1.63 3.29 -1.40 -0.03 2.02 -1.26 -1.52 117.35 120.09 1i88 s TYR 160 Ca 0.05 0.11 -0.02 0.00 -0.37 0.00 0.00 57.07 56.84 1i88 s TYR 160 Cb -0.28 -1.64 0.01 0.00 -0.40 0.00 0.00 41.96 39.65 1i88 s TYR 160 CO 0.03 0.54 0.57 1.04 -1.57 0.00 0.00 175.55 176.15 1i88 n GLN 161 N 0.22 -3.98 -0.04 -0.62 1.13 -0.53 -4.91 117.38 108.65 1i88 n GLN 161 Ca -0.08 0.49 -0.19 0.00 -1.94 0.00 0.00 57.00 55.28 1i88 n GLN 161 Cb 0.52 -4.84 -0.13 0.00 0.11 0.00 0.00 30.24 25.90 1i88 n GLN 161 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 1i88 h GLN 162 N -1.85 0.10 0.00 -1.09 1.08 -1.82 -3.49 115.11 108.05 1i88 h GLN 162 Ca -0.62 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 56.40 1i88 h GLN 162 Cb 1.37 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.87 1i88 h GLN 162 CO 0.62 1.09 0.00 0.41 -0.95 0.00 0.00 178.83 179.99 1i88 n GLY 163 N 1.61 0.98 0.25 3.46 0.00 -1.26 -4.74 105.19 105.49 1i88 n GLY 163 Ca -0.21 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1i88 n GLY 163 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1i88 n PHE 165 N 0.00 0.00 1.16 1.61 1.16 -1.12 -4.25 117.46 116.02 1i88 n PHE 165 Ca 0.00 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.69 1i88 n PHE 165 Cb 0.00 -0.06 0.60 0.00 -1.61 0.00 0.00 39.48 38.42 1i88 n PHE 165 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1i88 n ALA 166 N 0.08 2.22 -0.28 1.98 0.00 -1.26 -1.36 120.51 121.89 1i88 n ALA 166 Ca 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.26 1i88 n ALA 166 Cb 0.00 -1.37 0.06 0.00 0.00 0.00 0.00 19.45 18.13 1i88 n ALA 166 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1i88 h GLY 167 N 3.76 1.26 1.10 0.00 0.00 -1.82 -0.08 103.07 107.27 1i88 h GLY 167 Ca 0.00 -0.72 -0.14 0.00 0.00 0.00 0.00 47.33 46.47 1i88 h GLY 167 CO 0.00 0.68 -0.30 -1.33 0.00 0.00 0.00 176.54 175.58 1i88 h GLY 168 N 1.13 1.01 0.96 4.60 0.00 -1.52 -3.14 103.07 106.10 1i88 h GLY 168 Ca 0.25 -0.98 0.01 0.00 0.00 0.00 0.00 47.33 46.61 1i88 h GLY 168 CO -0.01 0.88 0.27 -0.84 0.00 0.00 0.00 176.54 176.84 1i88 h THR 169 N 0.75 1.08 0.00 4.70 2.02 -1.36 -0.37 112.91 119.73 1i88 h THR 169 Ca 0.08 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 66.98 1i88 h THR 169 Cb 0.89 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1i88 h THR 169 CO 0.08 0.10 -0.42 -0.37 0.37 0.00 0.00 175.52 175.28 1i88 h VAL 170 N 0.56 1.25 -0.24 3.16 -1.51 -1.08 -0.40 116.25 117.99 1i88 h VAL 170 Ca 0.17 -1.47 -0.10 0.00 -1.23 0.00 0.00 66.70 64.07 1i88 h VAL 170 Cb -0.03 1.80 -0.00 0.00 -2.13 0.00 0.00 31.29 30.93 1i88 h VAL 170 CO -0.05 0.41 -0.23 -0.07 -1.23 0.00 0.00 177.57 176.39 1i88 h LEU 171 N 0.00 0.63 -0.69 4.19 3.38 -1.31 -0.22 115.31 121.29 1i88 h LEU 171 Ca -0.00 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.52 1i88 h LEU 171 Cb 0.77 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1i88 h LEU 171 CO 0.05 0.97 0.44 -0.09 0.09 0.00 0.00 178.44 179.90 1i88 h ARG 172 N 0.30 0.85 -0.03 1.13 2.43 -0.61 -0.58 114.38 117.88 1i88 h ARG 172 Ca 0.04 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1i88 h ARG 172 Cb 0.79 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1i88 h ARG 172 CO 0.06 0.57 -0.01 1.25 -1.51 0.00 0.00 179.97 180.33 1i88 h LEU 173 N 0.88 0.07 -1.36 3.80 5.85 -1.04 -3.18 115.31 120.32 1i88 h LEU 173 Ca 0.27 -0.36 0.07 0.00 0.84 0.00 0.00 57.88 58.70 1i88 h LEU 173 Cb -0.03 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 1i88 h LEU 173 CO -0.09 0.41 0.49 0.00 -0.34 0.00 0.00 178.44 178.92 1i88 h ALA 174 N 0.65 1.71 -0.32 1.25 0.00 -0.76 -1.92 119.26 119.87 1i88 h ALA 174 Ca 0.01 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1i88 h ALA 174 Cb 0.38 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1i88 h ALA 174 CO 0.00 0.16 -0.01 -0.22 0.00 0.00 0.00 179.25 179.18 1i88 h LYS 175 N 0.76 0.07 -0.35 0.00 3.64 -1.09 -0.77 116.57 118.84 1i88 h LYS 175 Ca 0.33 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.57 1i88 h LYS 175 Cb 0.30 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1i88 h LYS 175 CO -0.12 0.05 -0.32 -0.44 -2.27 0.00 0.00 179.45 176.35 1i88 h ASP 176 N 0.08 0.79 -0.08 4.20 3.32 -1.40 -1.48 116.42 121.85 1i88 h ASP 176 Ca 0.15 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 1i88 h ASP 176 Cb 0.21 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1i88 h ASP 176 CO -0.27 1.05 0.03 -0.07 -1.72 0.00 0.00 179.24 178.26 1i88 h LEU 177 N 0.64 0.11 -0.37 1.55 3.38 -1.15 -2.09 115.31 117.37 1i88 h LEU 177 Ca 0.07 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1i88 h LEU 177 Cb 0.85 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1i88 h LEU 177 CO 0.07 0.25 0.04 0.00 0.09 0.00 0.00 178.44 178.89 1i88 h ALA 178 N 0.86 0.50 0.00 1.53 0.00 -1.13 -3.20 119.26 117.82 1i88 h ALA 178 Ca 0.03 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1i88 h ALA 178 Cb 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1i88 h ALA 178 CO -0.00 0.23 -0.48 0.93 0.00 0.00 0.00 179.25 179.93 1i88 h GLU 179 N 0.46 0.00 -0.00 0.00 5.08 -1.25 -3.20 114.58 115.68 1i88 h GLU 179 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1i88 h GLU 179 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1i88 h GLU 179 CO 0.01 0.48 -0.34 -1.71 -1.00 0.00 0.00 179.01 176.44 1i88 n ASN 180 N -3.50 0.65 -3.78 1.42 5.15 -0.79 -2.63 115.26 111.78 1i88 n ASN 180 Ca 0.00 -0.46 -0.28 0.00 -0.60 0.00 0.00 54.58 53.23 1i88 n ASN 180 Cb 0.60 0.13 -0.16 0.00 -0.53 0.00 0.00 39.78 39.81 1i88 n ASN 180 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1i88 s ASN 181 N -2.77 3.22 0.18 1.20 0.01 -1.21 -4.03 114.94 111.55 1i88 s ASN 181 Ca 0.18 -0.98 -0.32 0.00 -0.71 0.00 0.00 52.86 51.03 1i88 s ASN 181 Cb 0.18 -0.74 -0.12 0.00 0.41 0.00 0.00 41.25 40.98 1i88 s ASN 181 CO 0.60 -0.30 1.75 1.17 -1.51 0.00 0.00 177.10 178.81 1i88 n LYS 182 N 4.95 2.74 -0.06 -0.60 4.81 0.58 -1.22 118.16 129.37 1i88 n LYS 182 Ca -0.09 0.99 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 1i88 n LYS 182 Cb 0.46 -2.85 0.00 0.00 0.02 0.00 0.00 35.03 32.66 1i88 n LYS 182 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i88 n GLY 183 N 4.01 2.21 3.77 3.14 0.00 -1.26 -4.92 105.19 112.14 1i88 n GLY 183 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1i88 n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i88 s ALA 184 N -2.84 3.55 -0.15 4.61 0.00 -0.35 -4.91 121.76 121.66 1i88 s ALA 184 Ca 0.00 1.40 -0.01 0.00 0.00 0.00 0.00 51.96 53.34 1i88 s ALA 184 Cb 0.00 -3.54 0.04 0.00 0.00 0.00 0.00 23.12 19.62 1i88 s ALA 184 CO 0.00 -0.82 -0.02 1.03 0.00 0.00 0.00 175.76 175.95 1i88 s ARG 185 N -1.69 1.10 -0.24 0.00 1.81 -1.26 -4.22 118.95 114.44 1i88 s ARG 185 Ca 0.52 -0.37 -0.09 0.00 -1.72 0.00 0.00 55.73 54.07 1i88 s ARG 185 Cb -0.43 -1.82 -0.04 0.00 -0.45 0.00 0.00 34.95 32.21 1i88 s ARG 185 CO 0.55 -0.45 0.12 0.08 -0.68 0.00 0.00 175.30 174.93 1i88 s VAL 186 N 1.75 4.90 -0.21 3.52 1.01 0.60 -0.96 120.40 131.02 1i88 s VAL 186 Ca 0.01 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 61.83 1i88 s VAL 186 Cb -0.15 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1i88 s VAL 186 CO -0.07 0.34 0.54 -0.22 0.00 0.00 0.00 175.10 175.68 1i88 s LEU 187 N 1.33 4.12 -0.16 3.92 2.96 0.03 -0.68 118.68 130.20 1i88 s LEU 187 Ca 0.06 0.67 -0.01 0.00 -0.22 0.00 0.00 54.13 54.63 1i88 s LEU 187 Cb -0.15 -2.73 -0.01 0.00 0.50 0.00 0.00 46.19 43.80 1i88 s LEU 187 CO 0.05 -0.22 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.07 1i88 s VAL 188 N 1.84 3.17 -0.15 1.68 1.01 0.06 -0.84 120.40 127.17 1i88 s VAL 188 Ca 0.24 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 1i88 s VAL 188 Cb -0.15 -2.37 0.04 0.00 0.00 0.00 0.00 36.38 33.90 1i88 s VAL 188 CO 0.09 0.50 -0.04 -0.69 0.00 0.00 0.00 175.10 174.97 1i88 s VAL 189 N 0.70 0.91 -0.22 2.92 1.01 0.51 -0.58 120.40 125.65 1i88 s VAL 189 Ca -0.05 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 1i88 s VAL 189 Cb -0.15 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1i88 s VAL 189 CO 0.02 0.14 0.09 0.00 0.00 0.00 0.00 175.10 175.35 1i88 s SER 191 N 0.97 1.32 -0.08 0.00 0.15 -0.44 -0.80 113.70 114.83 1i88 s SER 191 Ca 0.05 -0.02 0.02 0.00 0.70 0.00 0.00 55.95 56.69 1i88 s SER 191 Cb -0.14 -0.13 0.01 0.00 -1.71 0.00 0.00 66.02 64.05 1i88 s SER 191 CO 0.03 -0.27 -0.12 -1.61 1.20 0.00 0.00 173.24 172.47 1i88 s GLU 192 N 2.17 1.77 -0.04 5.44 0.41 -0.11 -4.40 118.70 123.93 1i88 s GLU 192 Ca 0.04 -0.42 0.02 0.00 -0.41 0.00 0.00 54.97 54.21 1i88 s GLU 192 Cb -0.13 -1.50 0.01 0.00 -1.78 0.00 0.00 34.13 30.73 1i88 s GLU 192 CO -0.04 -0.02 -0.09 0.08 -0.49 0.00 0.00 175.26 174.70 1i88 s VAL 193 N 0.83 0.85 -2.04 2.63 1.01 -1.26 -1.45 120.40 120.98 1i88 s VAL 193 Ca -0.11 -0.35 0.10 0.00 0.00 0.00 0.00 61.98 61.62 1i88 s VAL 193 Cb -0.15 -0.79 0.26 0.00 0.00 0.00 0.00 36.38 35.70 1i88 s VAL 193 CO 0.02 0.28 1.26 0.35 0.00 0.00 0.00 175.10 177.01 1i88 n THR 194 N 3.65 0.26 0.29 3.92 -2.24 -1.26 -3.98 114.28 114.92 1i88 n THR 194 Ca -0.22 -0.28 0.14 0.00 -2.27 0.00 0.00 64.05 61.43 1i88 n THR 194 Cb 0.52 0.14 0.87 0.00 -2.10 0.00 0.00 70.33 69.76 1i88 n THR 194 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i88 h ALA 195 N 3.51 1.46 0.00 6.98 0.00 -1.96 -0.96 119.26 128.29 1i88 h ALA 195 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1i88 h ALA 195 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1i88 h ALA 195 CO 0.00 0.04 -0.44 0.28 0.00 0.00 0.00 179.25 179.13 1i88 n VAL 196 N -3.79 0.34 -0.01 0.00 0.31 -1.26 -4.15 118.33 109.78 1i88 n VAL 196 Ca -0.03 -0.23 0.07 0.00 -0.01 0.00 0.00 64.34 64.14 1i88 n VAL 196 Cb 0.12 -0.20 -0.11 0.00 -0.91 0.00 0.00 33.84 32.74 1i88 n VAL 196 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1i88 n THR 197 N -2.04 0.00 -1.72 2.52 -2.24 -0.54 -0.80 114.28 109.46 1i88 n THR 197 Ca 0.04 -0.32 -0.43 0.00 -2.27 0.00 0.00 64.05 61.07 1i88 n THR 197 Cb 0.42 0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.80 1i88 n THR 197 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1i88 n PHE 198 N -1.99 2.69 -3.70 4.78 -0.00 -0.48 -4.91 117.46 113.84 1i88 n PHE 198 Ca -0.03 0.23 -0.08 0.00 -0.00 0.00 0.00 57.45 57.57 1i88 n PHE 198 Cb 0.37 -2.59 -0.02 0.00 -0.00 0.00 0.00 39.48 37.24 1i88 n PHE 198 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.76 175.78 1i88 s ARG 199 N 0.04 1.57 0.95 -4.13 1.70 -1.26 -4.83 118.95 112.99 1i88 s ARG 199 Ca 0.69 -0.79 -0.13 0.00 -0.47 0.00 0.00 55.73 55.03 1i88 s ARG 199 Cb -0.53 0.59 0.16 0.00 -0.57 0.00 0.00 34.95 34.59 1i88 s ARG 199 CO 0.44 -0.71 1.13 0.20 -1.08 0.00 0.00 175.30 175.28 1i88 s GLY 200 N -2.86 1.58 0.27 3.88 0.00 -0.85 -4.87 107.32 104.47 1i88 s GLY 200 Ca 0.08 -0.53 -0.10 0.00 0.00 0.00 0.00 44.72 44.16 1i88 s GLY 200 CO -0.00 0.06 0.61 2.56 0.00 0.00 0.00 173.10 176.33 1i88 s PRO 201 N -5.23 3.82 -0.06 2.90 0.04 -1.26 -4.20 135.00 131.01 1i88 s PRO 201 Ca 0.65 0.34 -0.02 0.00 0.04 0.00 0.00 61.00 62.00 1i88 s PRO 201 Cb -0.15 -2.58 0.04 0.00 0.04 0.00 0.00 34.50 31.85 1i88 s PRO 201 CO 0.54 0.24 0.13 0.45 0.04 0.00 0.00 177.00 178.40 1i88 s SER 202 N -2.52 0.23 0.00 6.66 0.15 -1.26 -4.76 113.70 112.19 1i88 s SER 202 Ca 0.49 0.25 0.17 0.00 0.70 0.00 0.00 55.95 57.56 1i88 s SER 202 Cb -0.11 0.15 0.81 0.00 -1.71 0.00 0.00 66.02 65.16 1i88 s SER 202 CO 0.22 -0.18 1.51 -0.90 1.20 0.00 0.00 173.24 175.10 1i88 n ASP 203 N 4.57 0.00 -0.78 5.45 5.68 -1.26 -1.00 116.55 129.22 1i88 n ASP 203 Ca -0.20 0.18 0.11 0.00 -0.50 0.00 0.00 54.79 54.39 1i88 n ASP 203 Cb 0.51 -0.35 0.06 0.00 -1.14 0.00 0.00 41.12 40.20 1i88 n ASP 203 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1i88 n THR 204 N -1.35 0.00 -3.16 2.12 -2.24 -1.26 -4.57 114.28 103.82 1i88 n THR 204 Ca 0.07 -0.42 -0.25 0.00 -2.27 0.00 0.00 64.05 61.19 1i88 n THR 204 Cb 0.15 1.40 -0.05 0.00 -2.10 0.00 0.00 70.33 69.73 1i88 n THR 204 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1i88 n HIS 205 N 0.83 2.40 0.23 4.78 8.25 -0.17 -4.91 115.22 126.63 1i88 n HIS 205 Ca 0.12 -3.93 0.11 0.00 -0.26 0.00 0.00 57.72 53.76 1i88 n HIS 205 Cb 0.54 -0.47 0.53 0.00 1.12 0.00 0.00 29.99 31.71 1i88 n HIS 205 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1i88 h LEU 206 N 3.46 0.00 -0.48 2.41 3.38 -1.81 -2.40 115.31 119.86 1i88 h LEU 206 Ca 0.13 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 1i88 h LEU 206 Cb 0.71 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1i88 h LEU 206 CO 0.70 0.20 -0.03 -2.24 0.09 0.00 0.00 178.44 177.15 1i88 h ASP 207 N 0.00 0.86 -0.48 -0.43 2.03 -1.91 -2.07 116.42 114.43 1i88 h ASP 207 Ca -0.00 -0.32 -0.06 0.00 -0.73 0.00 0.00 57.03 55.91 1i88 h ASP 207 Cb 0.65 -0.23 -0.02 0.00 -0.83 0.00 0.00 39.33 38.89 1i88 h ASP 207 CO 0.03 0.98 0.08 -1.28 -1.03 0.00 0.00 179.24 178.02 1i88 h SER 208 N 0.73 0.80 -0.61 4.15 0.87 -1.53 -2.96 113.55 115.00 1i88 h SER 208 Ca 0.13 -0.17 -0.04 0.00 -1.23 0.00 0.00 61.79 60.49 1i88 h SER 208 Cb 0.56 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 1i88 h SER 208 CO 0.03 0.82 0.25 0.25 -0.53 0.00 0.00 176.83 177.65 1i88 h LEU 209 N 0.81 0.87 -1.23 2.23 5.85 -1.07 -2.81 115.31 119.96 1i88 h LEU 209 Ca 0.17 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1i88 h LEU 209 Cb 0.37 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1i88 h LEU 209 CO 0.01 0.78 0.40 -0.37 -0.34 0.00 0.00 178.44 178.92 1i88 h VAL 210 N 0.93 1.20 -0.99 1.05 -1.51 -1.22 -1.45 116.25 114.25 1i88 h VAL 210 Ca 0.22 -0.44 0.12 0.00 -1.23 0.00 0.00 66.70 65.36 1i88 h VAL 210 Cb 0.20 0.24 -0.08 0.00 -2.13 0.00 0.00 31.29 29.51 1i88 h VAL 210 CO -0.02 0.21 0.63 1.23 -1.23 0.00 0.00 177.57 178.39 1i88 h GLY 211 N 0.98 1.58 2.00 5.19 0.00 -1.56 -0.04 103.07 111.23 1i88 h GLY 211 Ca 0.25 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1i88 h GLY 211 CO -0.05 0.17 -0.09 1.46 0.00 0.00 0.00 176.54 178.03 1i88 h GLN 212 N 0.98 0.00 0.00 4.80 1.08 -1.30 -1.29 115.11 119.38 1i88 h GLN 212 Ca 0.48 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.62 1i88 h GLN 212 Cb 0.48 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 1i88 h GLN 212 CO -0.25 0.09 -0.65 0.00 -0.95 0.00 0.00 178.83 177.07 1i88 h ALA 213 N 1.91 0.72 0.00 3.87 0.00 -0.96 -3.42 119.26 121.38 1i88 h ALA 213 Ca -0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 54.91 54.40 1i88 h ALA 213 Cb 0.26 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1i88 h ALA 213 CO 0.01 0.34 -1.86 1.28 0.00 0.00 0.00 179.25 179.03 1i88 n LEU 214 N -2.99 2.60 -4.72 0.00 4.77 -0.78 -4.90 117.00 110.97 1i88 n LEU 214 Ca -0.00 -0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.49 1i88 n LEU 214 Cb 0.65 -0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1i88 n LEU 214 CO 0.39 0.70 0.71 -0.36 -1.33 0.00 0.00 177.39 177.49 1i88 s PHE 215 N -2.30 3.71 0.27 -1.77 0.40 -0.56 -0.92 117.98 116.80 1i88 s PHE 215 Ca -0.19 1.70 0.01 0.00 -0.60 0.00 0.00 56.93 57.86 1i88 s PHE 215 Cb 0.05 -3.14 -0.05 0.00 0.51 0.00 0.00 43.02 40.39 1i88 s PHE 215 CO 0.37 -0.10 0.10 0.20 0.70 0.00 0.00 175.22 176.49 1i88 s GLY 216 N 0.32 1.79 0.04 4.36 0.00 -0.33 -4.85 107.32 108.64 1i88 s GLY 216 Ca 0.50 -1.85 -0.03 0.00 0.00 0.00 0.00 44.72 43.34 1i88 s GLY 216 CO 0.30 -1.60 0.23 0.99 0.00 0.00 0.00 173.10 173.02 1i88 s ASP 217 N -3.33 6.40 0.00 1.64 1.01 -0.37 -4.11 116.67 117.91 1i88 s ASP 217 Ca 0.37 0.38 0.00 0.00 0.71 0.00 0.00 52.55 54.01 1i88 s ASP 217 Cb 0.07 -2.01 0.00 0.00 1.01 0.00 0.00 42.92 41.99 1i88 s ASP 217 CO 0.14 0.20 0.00 0.61 0.21 0.00 0.00 175.17 176.33 1i88 n GLY 218 N 0.64 1.30 3.08 0.21 0.00 -0.53 -4.52 105.19 105.37 1i88 n GLY 218 Ca -0.08 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 1i88 n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i88 s ALA 219 N -2.00 0.80 0.01 4.61 0.00 -0.20 -0.94 121.76 124.04 1i88 s ALA 219 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.24 1i88 s ALA 219 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 1i88 s ALA 219 CO 0.00 0.09 -0.05 0.00 0.00 0.00 0.00 175.76 175.80 1i88 s ALA 220 N -1.03 0.40 0.05 0.00 0.00 0.02 -0.72 121.76 120.49 1i88 s ALA 220 Ca -0.04 -0.32 0.05 0.00 0.00 0.00 0.00 51.96 51.65 1i88 s ALA 220 Cb -0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 1i88 s ALA 220 CO 0.01 0.06 -0.14 0.00 0.00 0.00 0.00 175.76 175.69 1i88 s ALA 221 N -0.42 1.14 0.11 0.00 0.00 0.87 -1.09 121.76 122.37 1i88 s ALA 221 Ca -0.01 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.12 1i88 s ALA 221 Cb -0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1i88 s ALA 221 CO -0.00 0.19 -0.13 -0.51 0.00 0.00 0.00 175.76 175.31 1i88 s LEU 222 N -1.36 2.37 -0.19 0.00 1.43 0.26 -1.08 118.68 120.12 1i88 s LEU 222 Ca -0.00 -0.76 -0.04 0.00 -1.03 0.00 0.00 54.13 52.30 1i88 s LEU 222 Cb -0.09 -0.50 -0.02 0.00 0.03 0.00 0.00 46.19 45.62 1i88 s LEU 222 CO 0.02 -0.15 -0.04 -0.63 0.23 0.00 0.00 176.35 175.78 1i88 s ILE 223 N -1.99 3.64 -0.07 -0.59 -1.09 -0.84 -0.76 121.20 119.50 1i88 s ILE 223 Ca 0.06 -0.43 0.05 0.00 -2.23 0.00 0.00 60.65 58.10 1i88 s ILE 223 Cb -0.06 -2.62 -0.01 0.00 -1.58 0.00 0.00 42.46 38.20 1i88 s ILE 223 CO 0.02 0.45 -0.23 -0.69 -1.23 0.00 0.00 174.94 173.27 1i88 s VAL 224 N 0.91 1.93 0.11 2.92 1.01 0.15 -0.02 120.40 127.40 1i88 s VAL 224 Ca -0.00 -0.98 -0.24 0.00 0.00 0.00 0.00 61.98 60.76 1i88 s VAL 224 Cb -0.15 -1.65 0.07 0.00 0.00 0.00 0.00 36.38 34.65 1i88 s VAL 224 CO 0.01 0.54 0.59 -0.83 0.00 0.00 0.00 175.10 175.41 1i88 s GLY 225 N 0.06 -0.57 0.29 4.51 0.00 0.09 -0.29 107.32 111.41 1i88 s GLY 225 Ca -0.09 0.60 0.02 0.00 0.00 0.00 0.00 44.72 45.25 1i88 s GLY 225 CO 0.05 0.27 0.46 -0.56 0.00 0.00 0.00 173.10 173.32 1i88 s SER 226 N -2.42 6.31 -1.00 1.64 0.01 -1.26 -0.73 113.70 116.26 1i88 s SER 226 Ca -0.01 0.30 -0.09 0.00 1.31 0.00 0.00 55.95 57.46 1i88 s SER 226 Cb -0.01 -1.96 -0.04 0.00 0.21 0.00 0.00 66.02 64.23 1i88 s SER 226 CO -0.08 -0.18 0.83 0.47 0.41 0.00 0.00 173.24 174.68 1i88 n ASP 227 N -1.52 -6.44 -4.77 2.44 8.00 -1.26 -4.79 116.55 108.21 1i88 n ASP 227 Ca -0.06 -0.68 -0.40 0.00 0.71 0.00 0.00 54.79 54.36 1i88 n ASP 227 Cb 0.56 -4.55 0.01 0.00 -0.02 0.00 0.00 41.12 37.12 1i88 n ASP 227 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1i88 s PRO 228 N -4.58 3.71 -0.29 -0.24 0.02 -1.26 -4.92 135.00 127.45 1i88 s PRO 228 Ca 0.35 2.35 -0.29 0.00 0.02 0.00 0.00 61.00 63.43 1i88 s PRO 228 Cb -0.08 -2.65 0.00 0.00 0.02 0.00 0.00 34.50 31.80 1i88 s PRO 228 CO 0.78 -0.77 1.22 0.08 -0.33 0.00 0.00 177.00 177.98 1i88 s VAL 229 N -1.22 4.28 0.18 3.83 1.01 -1.26 -4.96 120.40 122.25 1i88 s VAL 229 Ca 0.61 1.47 -0.33 0.00 0.00 0.00 0.00 61.98 63.73 1i88 s VAL 229 Cb -0.42 -4.22 -0.14 0.00 0.00 0.00 0.00 36.38 31.59 1i88 s VAL 229 CO 0.54 -0.43 1.41 -2.65 0.00 0.00 0.00 175.10 173.97 1i88 n PRO 230 N 7.07 1.79 -0.93 2.72 -0.02 -1.26 -0.88 135.00 143.48 1i88 n PRO 230 Ca 0.14 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1i88 n PRO 230 Cb 0.46 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1i88 n PRO 230 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1i88 n GLU 231 N 2.50 -1.05 0.03 -0.52 -0.58 -1.26 -4.66 120.64 115.10 1i88 n GLU 231 Ca 0.15 0.26 0.00 0.00 -0.42 0.00 0.00 57.16 57.15 1i88 n GLU 231 Cb 0.27 -4.22 0.00 0.00 -0.57 0.00 0.00 31.44 26.92 1i88 n GLU 231 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1i88 n ILE 232 N -2.27 0.48 -3.42 -3.67 2.08 -0.88 -5.04 119.36 106.65 1i88 n ILE 232 Ca 0.00 0.16 -0.26 0.00 0.56 0.00 0.00 62.75 63.21 1i88 n ILE 232 Cb 0.26 -1.40 -0.02 0.00 -0.75 0.00 0.00 39.64 37.73 1i88 n ILE 232 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1i88 s GLU 233 N -2.00 3.55 -0.29 0.38 2.02 -0.06 -4.99 118.70 117.31 1i88 s GLU 233 Ca 0.00 -0.20 -0.01 0.00 0.02 0.00 0.00 54.97 54.78 1i88 s GLU 233 Cb 0.00 -2.69 0.09 0.00 0.10 0.00 0.00 34.13 31.63 1i88 s GLU 233 CO 0.00 0.22 0.08 0.21 0.02 0.00 0.00 175.26 175.79 1i88 s LYS 234 N -3.82 0.76 0.47 1.61 2.20 -1.26 -4.72 119.74 114.98 1i88 s LYS 234 Ca 0.41 -0.99 -0.24 0.00 -0.36 0.00 0.00 55.97 54.79 1i88 s LYS 234 Cb -0.10 -2.05 -0.08 0.00 -1.51 0.00 0.00 37.83 34.09 1i88 s LYS 234 CO 0.32 -0.92 1.34 -2.30 -0.36 0.00 0.00 175.35 173.43 1i88 n PRO 235 N 4.86 1.96 -0.01 4.03 -0.02 -1.26 -4.58 135.00 139.97 1i88 n PRO 235 Ca -0.03 0.70 -0.03 0.00 -2.02 0.00 0.00 63.50 62.11 1i88 n PRO 235 Cb 0.43 -2.50 -0.01 0.00 -0.02 0.00 0.00 33.50 31.39 1i88 n PRO 235 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1i88 n ILE 236 N -0.44 0.29 -3.91 4.25 5.41 0.15 -4.89 119.36 120.22 1i88 n ILE 236 Ca 0.07 -0.01 -0.10 0.00 1.00 0.00 0.00 62.75 63.71 1i88 n ILE 236 Cb 0.42 -1.56 -0.10 0.00 -0.71 0.00 0.00 39.64 37.68 1i88 n ILE 236 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1i88 s PHE 237 N -2.07 0.13 -0.06 1.39 0.08 -1.21 -3.52 117.98 112.73 1i88 s PHE 237 Ca -0.05 -0.30 0.01 0.00 0.12 0.00 0.00 56.93 56.71 1i88 s PHE 237 Cb 0.02 -0.11 -0.03 0.00 -0.57 0.00 0.00 43.02 42.33 1i88 s PHE 237 CO 0.06 -0.26 -0.07 -1.21 -0.10 0.00 0.00 175.22 173.64 1i88 s GLU 238 N -1.53 2.72 0.04 0.44 2.02 -0.00 -0.29 118.70 122.10 1i88 s GLU 238 Ca -0.14 -0.57 -0.16 0.00 0.02 0.00 0.00 54.97 54.12 1i88 s GLU 238 Cb -0.08 -2.58 -0.06 0.00 0.10 0.00 0.00 34.13 31.51 1i88 s GLU 238 CO 0.00 0.66 0.48 -1.64 0.02 0.00 0.00 175.26 174.78 1i88 s MET 239 N -0.87 4.01 0.00 1.61 -1.94 0.02 -0.78 119.30 121.34 1i88 s MET 239 Ca 0.13 0.52 0.00 0.00 -1.71 0.00 0.00 55.69 54.62 1i88 s MET 239 Cb -0.11 -3.18 0.00 0.00 2.01 0.00 0.00 34.83 33.55 1i88 s MET 239 CO 0.02 0.64 0.00 0.28 -0.01 0.00 0.00 175.02 175.95 1i88 n VAL 240 N 1.62 0.00 -3.60 -6.03 0.31 -0.31 -4.17 118.33 106.16 1i88 n VAL 240 Ca -0.11 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.09 1i88 n VAL 240 Cb 0.52 -0.71 -0.07 0.00 -0.91 0.00 0.00 33.84 32.67 1i88 n VAL 240 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 1i88 s TRP 241 N -1.80 -0.62 0.11 3.52 -0.00 -1.24 -5.01 118.94 113.90 1i88 s TRP 241 Ca 0.00 1.40 0.03 0.00 -0.00 0.00 0.00 56.10 57.53 1i88 s TRP 241 Cb 0.00 0.34 -0.04 0.00 -0.00 0.00 0.00 33.47 33.77 1i88 s TRP 241 CO 0.00 -0.38 -0.08 0.95 -0.00 0.00 0.00 176.95 177.44 1i88 s THR 242 N -0.15 0.86 0.12 5.86 -4.23 -1.26 -0.54 115.64 116.31 1i88 s THR 242 Ca -0.01 -1.89 -0.16 0.00 -1.18 0.00 0.00 61.69 58.44 1i88 s THR 242 Cb -0.03 -1.64 0.04 0.00 1.34 0.00 0.00 72.50 72.20 1i88 s THR 242 CO 0.01 -0.77 0.40 0.00 -0.54 0.00 0.00 174.62 173.72 1i88 s ALA 243 N -3.27 -0.94 -0.02 3.99 0.00 -0.34 -4.99 121.76 116.18 1i88 s ALA 243 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.04 1i88 s ALA 243 Cb 0.03 0.67 0.01 0.00 0.00 0.00 0.00 23.12 23.84 1i88 s ALA 243 CO -0.02 -0.63 0.04 -1.14 0.00 0.00 0.00 175.76 174.01 1i88 s GLN 244 N -3.73 0.02 0.13 0.00 0.74 -1.26 -0.84 119.66 114.72 1i88 s GLN 244 Ca 0.02 0.12 -0.08 0.00 0.05 0.00 0.00 55.36 55.48 1i88 s GLN 244 Cb 0.02 -0.08 -0.01 0.00 1.10 0.00 0.00 33.01 34.03 1i88 s GLN 244 CO -0.11 -0.07 0.22 -0.08 -0.55 0.00 0.00 175.29 174.70 1i88 s THR 245 N 0.45 0.10 -0.22 -0.34 -1.32 -0.05 -4.99 115.64 109.27 1i88 s THR 245 Ca -0.04 -1.40 -0.05 0.00 -1.21 0.00 0.00 61.69 59.00 1i88 s THR 245 Cb -0.05 -1.71 -0.02 0.00 -1.51 0.00 0.00 72.50 69.21 1i88 s THR 245 CO -0.01 -0.44 -0.01 -0.63 -2.21 0.00 0.00 174.62 171.32 1i88 s ILE 246 N -3.94 3.75 0.37 5.08 1.01 -1.26 -0.73 121.20 125.48 1i88 s ILE 246 Ca 0.14 -0.37 -0.27 0.00 0.00 0.00 0.00 60.65 60.15 1i88 s ILE 246 Cb 0.04 -2.71 -0.09 0.00 0.01 0.00 0.00 42.46 39.71 1i88 s ILE 246 CO -0.03 0.41 1.18 0.00 0.00 0.00 0.00 174.94 176.49 1i88 s ALA 247 N 1.31 3.26 0.63 9.38 0.00 0.11 -5.00 121.76 131.45 1i88 s ALA 247 Ca 0.04 0.99 -0.17 0.00 0.00 0.00 0.00 51.96 52.83 1i88 s ALA 247 Cb -0.15 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 1i88 s ALA 247 CO 0.00 -0.47 1.15 -1.25 0.00 0.00 0.00 175.76 175.20 1i88 s PRO 248 N -2.06 2.82 -1.42 0.00 0.04 -1.26 -3.68 135.00 129.43 1i88 s PRO 248 Ca 0.53 1.60 -0.10 0.00 0.04 0.00 0.00 61.00 63.08 1i88 s PRO 248 Cb -0.32 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.33 1i88 s PRO 248 CO 0.41 -1.27 1.07 -0.25 0.04 0.00 0.00 177.00 176.99 1i88 n ASP 249 N -2.06 -5.21 0.00 6.66 8.00 -1.26 -4.86 116.55 117.82 1i88 n ASP 249 Ca 0.12 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.96 1i88 n ASP 249 Cb 0.51 -4.50 0.00 0.00 -0.02 0.00 0.00 41.12 37.11 1i88 n ASP 249 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1i88 n SER 250 N -2.95 0.92 -4.68 -2.24 3.41 -1.24 -5.04 113.62 101.79 1i88 n SER 250 Ca -0.01 -1.39 -0.45 0.00 -0.26 0.00 0.00 58.87 56.76 1i88 n SER 250 Cb 0.56 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 1i88 n SER 250 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1i88 n GLU 251 N -0.19 2.38 -1.00 4.33 2.13 -1.26 -1.29 120.64 125.74 1i88 n GLU 251 Ca 0.00 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.68 1i88 n GLU 251 Cb 0.30 -2.67 0.00 0.00 0.27 0.00 0.00 31.44 29.34 1i88 n GLU 251 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i88 n GLY 252 N 3.77 0.53 0.18 8.31 0.00 -1.26 -4.93 105.19 111.79 1i88 n GLY 252 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 1i88 n GLY 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i88 h ALA 253 N 0.00 0.53 -3.16 4.61 0.00 -1.50 -3.15 119.26 116.60 1i88 h ALA 253 Ca 0.00 0.05 -0.55 0.00 0.00 0.00 0.00 54.91 54.41 1i88 h ALA 253 Cb 0.06 0.01 -0.40 0.00 0.00 0.00 0.00 17.79 17.46 1i88 h ALA 253 CO 0.00 -0.21 -0.76 0.42 0.00 0.00 0.00 179.25 178.69 1i88 s ILE 254 N -6.14 0.59 -0.17 0.00 1.01 -1.26 -1.75 121.20 113.48 1i88 s ILE 254 Ca -0.13 -0.94 -0.00 0.00 0.00 0.00 0.00 60.65 59.57 1i88 s ILE 254 Cb 0.13 -1.30 -0.00 0.00 0.01 0.00 0.00 42.46 41.30 1i88 s ILE 254 CO 0.72 -0.48 -0.14 -1.81 0.00 0.00 0.00 174.94 173.24 1i88 s ASP 255 N 1.79 3.75 -0.15 3.58 1.11 -0.58 -4.30 116.67 121.87 1i88 s ASP 255 Ca 0.05 -0.46 -0.00 0.00 0.18 0.00 0.00 52.55 52.31 1i88 s ASP 255 Cb -0.17 -1.59 0.04 0.00 1.07 0.00 0.00 42.92 42.27 1i88 s ASP 255 CO -0.19 0.06 -0.07 -0.69 1.18 0.00 0.00 175.17 175.46 1i88 s VAL 256 N 0.94 1.18 -0.03 -1.27 1.01 -1.26 -0.74 120.40 120.23 1i88 s VAL 256 Ca -0.03 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1i88 s VAL 256 Cb -0.15 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1i88 s VAL 256 CO -0.02 0.22 -0.08 -1.00 0.00 0.00 0.00 175.10 174.23 1i88 s HIS 257 N 1.62 2.88 -0.38 5.22 3.76 -0.60 -4.92 115.29 122.87 1i88 s HIS 257 Ca 0.02 -0.03 -0.16 0.00 -0.15 0.00 0.00 55.06 54.74 1i88 s HIS 257 Cb -0.14 -1.65 0.01 0.00 1.11 0.00 0.00 32.58 31.90 1i88 s HIS 257 CO -0.08 0.34 0.36 -1.17 -0.85 0.00 0.00 174.74 173.34 1i88 s LEU 258 N -1.13 4.73 0.00 0.89 2.96 -1.26 -1.09 118.68 123.78 1i88 s LEU 258 Ca 0.15 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 1i88 s LEU 258 Cb -0.11 -2.30 -0.01 0.00 0.50 0.00 0.00 46.19 44.27 1i88 s LEU 258 CO 0.05 -0.44 0.08 0.54 -1.32 0.00 0.00 176.35 175.25 1i88 n ARG 259 N 5.39 0.75 0.28 1.98 5.12 0.04 -4.99 116.66 125.22 1i88 n ARG 259 Ca -0.09 -3.14 0.14 0.00 -1.93 0.00 0.00 57.85 52.83 1i88 n ARG 259 Cb 0.48 1.33 0.84 0.00 -1.16 0.00 0.00 32.46 33.95 1i88 n ARG 259 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1i88 h GLU 260 N 0.00 0.00 -0.48 5.56 5.08 -1.96 -0.34 114.58 122.43 1i88 h GLU 260 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1i88 h GLU 260 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1i88 h GLU 260 CO 0.52 0.05 0.00 0.00 -1.00 0.00 0.00 179.01 178.58 1i88 n ALA 261 N -2.31 2.60 0.00 3.43 0.00 -1.26 -0.68 120.51 122.29 1i88 n ALA 261 Ca -0.03 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.62 1i88 n ALA 261 Cb 0.14 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1i88 n ALA 261 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i88 n GLY 262 N 1.00 -1.88 3.64 0.00 0.00 -0.14 -4.68 105.19 103.12 1i88 n GLY 262 Ca 0.14 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 1i88 n GLY 262 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i88 s LEU 263 N 0.00 4.09 -0.16 0.99 2.96 0.02 -0.78 118.68 125.80 1i88 s LEU 263 Ca 0.00 0.75 -0.03 0.00 -0.22 0.00 0.00 54.13 54.63 1i88 s LEU 263 Cb 0.00 -2.86 -0.02 0.00 0.50 0.00 0.00 46.19 43.81 1i88 s LEU 263 CO 0.00 -0.33 -0.07 0.42 -1.32 0.00 0.00 176.35 175.05 1i88 s THR 264 N 2.28 3.49 -0.29 3.68 -4.23 -0.25 -4.40 115.64 115.92 1i88 s THR 264 Ca 0.27 -0.49 -0.10 0.00 -1.18 0.00 0.00 61.69 60.18 1i88 s THR 264 Cb -0.16 -2.52 -0.03 0.00 1.34 0.00 0.00 72.50 71.13 1i88 s THR 264 CO 0.09 0.49 0.17 0.12 -0.54 0.00 0.00 174.62 174.95 1i88 s PHE 265 N 0.63 3.19 -0.08 3.99 5.36 -1.26 -1.56 117.98 128.25 1i88 s PHE 265 Ca -0.04 -0.22 0.04 0.00 -0.96 0.00 0.00 56.93 55.74 1i88 s PHE 265 Cb -0.15 -2.37 -0.01 0.00 -0.34 0.00 0.00 43.02 40.15 1i88 s PHE 265 CO 0.03 -0.31 -0.19 -1.01 -1.46 0.00 0.00 175.22 172.27 1i88 s HIS 266 N 1.69 2.61 -0.07 10.12 3.76 0.08 -3.77 115.29 129.71 1i88 s HIS 266 Ca 0.06 -0.63 0.05 0.00 -0.15 0.00 0.00 55.06 54.39 1i88 s HIS 266 Cb -0.16 -1.69 -0.01 0.00 1.11 0.00 0.00 32.58 31.82 1i88 s HIS 266 CO 0.08 -0.16 -0.23 -0.51 -0.85 0.00 0.00 174.74 173.07 1i88 s LEU 267 N -0.06 2.19 0.00 0.89 1.43 -1.26 -1.52 118.68 120.35 1i88 s LEU 267 Ca -0.05 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1i88 s LEU 267 Cb -0.14 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.66 1i88 s LEU 267 CO 0.04 0.24 0.00 0.18 0.23 0.00 0.00 176.35 177.04 1i88 n LEU 268 N 3.02 0.00 -4.39 1.79 4.77 -0.72 -4.95 117.00 116.51 1i88 n LEU 268 Ca -0.18 -0.07 -0.22 0.00 -0.03 0.00 0.00 56.01 55.51 1i88 n LEU 268 Cb 0.52 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1i88 n LEU 268 CO 0.26 0.00 -0.15 -0.54 -1.33 0.00 0.00 177.39 175.64 1i88 s LYS 269 N -1.35 1.84 -0.96 3.23 1.02 -1.25 -4.89 119.74 117.39 1i88 s LYS 269 Ca 0.00 -2.10 -0.24 0.00 0.02 0.00 0.00 55.97 53.65 1i88 s LYS 269 Cb 0.00 -0.09 0.05 0.00 -0.52 0.00 0.00 37.83 37.27 1i88 s LYS 269 CO 0.00 -0.58 1.40 0.34 -0.92 0.00 0.00 175.35 175.59 1i88 s ASP 270 N -3.48 6.43 0.07 2.83 2.15 -1.26 -4.89 116.67 118.51 1i88 s ASP 270 Ca 0.32 -1.26 -0.24 0.00 0.43 0.00 0.00 52.55 51.81 1i88 s ASP 270 Cb 0.02 -2.56 -0.16 0.00 -0.30 0.00 0.00 42.92 39.92 1i88 s ASP 270 CO 0.22 -1.57 1.65 0.58 -0.17 0.00 0.00 175.17 175.87 1i88 h VAL 271 N 6.62 0.99 -0.87 1.11 2.07 -1.98 -0.87 116.25 123.31 1i88 h VAL 271 Ca 0.10 -0.18 0.13 0.00 0.82 0.00 0.00 66.70 67.57 1i88 h VAL 271 Cb 1.02 1.10 -0.09 0.00 -1.52 0.00 0.00 31.29 31.81 1i88 h VAL 271 CO 1.39 0.05 0.49 -0.65 0.02 0.00 0.00 177.57 178.86 1i88 h PRO 272 N -0.17 0.72 -0.26 1.57 0.11 -1.90 0.32 132.00 132.39 1i88 h PRO 272 Ca -0.01 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1i88 h PRO 272 Cb 0.14 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 1i88 h PRO 272 CO 0.02 0.47 0.07 0.78 -0.21 0.00 0.00 178.00 179.13 1i88 h GLY 273 N 0.74 0.43 0.89 -0.55 0.00 -1.84 -0.51 103.07 102.23 1i88 h GLY 273 Ca 0.45 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.49 1i88 h GLY 273 CO -0.31 0.25 0.06 -2.22 0.00 0.00 0.00 176.54 174.31 1i88 h ILE 274 N 0.25 1.23 0.08 2.60 2.04 -0.68 -0.22 117.51 122.80 1i88 h ILE 274 Ca 0.08 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 1i88 h ILE 274 Cb 0.25 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1i88 h ILE 274 CO -0.00 0.25 -0.04 0.58 0.00 0.00 0.00 178.15 178.94 1i88 h VAL 275 N 0.30 0.96 -0.02 1.67 2.07 -0.89 -2.01 116.25 118.32 1i88 h VAL 275 Ca 0.09 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 1i88 h VAL 275 Cb 0.32 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1i88 h VAL 275 CO 0.00 0.03 -0.25 0.77 0.02 0.00 0.00 177.57 178.15 1i88 h SER 276 N -0.16 0.04 0.55 0.57 4.64 -1.03 -0.22 113.55 117.93 1i88 h SER 276 Ca -0.01 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.19 1i88 h SER 276 Cb 0.13 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 1i88 h SER 276 CO 0.02 0.29 -0.51 0.50 -0.87 0.00 0.00 176.83 176.25 1i88 h LYS 277 N 0.04 0.00 -0.01 4.77 3.64 -0.79 -3.29 116.57 120.92 1i88 h LYS 277 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1i88 h LYS 277 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1i88 h LYS 277 CO 0.03 0.51 -0.28 0.09 -2.27 0.00 0.00 179.45 177.53 1i88 n ASN 278 N -3.88 1.68 0.06 4.20 3.02 -0.78 -4.55 115.26 115.01 1i88 n ASN 278 Ca -0.01 -1.34 -0.04 0.00 -0.03 0.00 0.00 54.58 53.16 1i88 n ASN 278 Cb 0.53 0.41 0.17 0.00 -0.61 0.00 0.00 39.78 40.29 1i88 n ASN 278 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1i88 h ILE 279 N 1.90 1.32 -0.55 2.41 6.09 -1.13 -3.09 117.51 124.47 1i88 h ILE 279 Ca 0.00 -1.62 -0.10 0.00 -1.37 0.00 0.00 64.86 61.78 1i88 h ILE 279 Cb 0.55 1.71 -0.02 0.00 0.47 0.00 0.00 36.82 39.52 1i88 h ILE 279 CO 0.00 0.49 -0.04 0.74 -3.07 0.00 0.00 178.15 176.27 1i88 h THR 280 N 0.27 1.26 -0.67 2.19 2.02 -1.80 -0.96 112.91 115.22 1i88 h THR 280 Ca 0.02 -1.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.00 1i88 h THR 280 Cb 0.89 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1i88 h THR 280 CO 0.07 0.41 0.28 0.50 0.37 0.00 0.00 175.52 177.16 1i88 h LYS 281 N 0.88 0.98 -0.34 6.66 3.64 -1.84 0.81 116.57 127.36 1i88 h LYS 281 Ca 0.15 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1i88 h LYS 281 Cb 0.57 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1i88 h LYS 281 CO 0.03 0.79 -0.28 0.00 -2.27 0.00 0.00 179.45 177.72 1i88 h ALA 282 N 1.34 0.86 -0.37 5.00 0.00 -1.34 -1.91 119.26 122.85 1i88 h ALA 282 Ca 0.23 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1i88 h ALA 282 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1i88 h ALA 282 CO -0.02 0.63 -0.10 -0.07 0.00 0.00 0.00 179.25 179.69 1i88 h LEU 283 N 0.62 0.73 -0.74 0.00 3.38 -0.50 -2.37 115.31 116.42 1i88 h LEU 283 Ca 0.08 -0.37 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 1i88 h LEU 283 Cb 0.79 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1i88 h LEU 283 CO 0.06 0.94 -0.24 -0.37 0.09 0.00 0.00 178.44 178.92 1i88 h VAL 284 N 0.52 1.27 -0.47 1.22 -1.51 -0.69 0.98 116.25 117.58 1i88 h VAL 284 Ca 0.09 -1.34 0.03 0.00 -1.23 0.00 0.00 66.70 64.26 1i88 h VAL 284 Cb 0.62 1.27 -0.04 0.00 -2.13 0.00 0.00 31.29 31.01 1i88 h VAL 284 CO 0.04 0.44 0.25 -0.08 -1.23 0.00 0.00 177.57 176.99 1i88 h GLU 285 N 0.60 0.47 -0.17 5.19 4.81 -1.27 0.02 114.58 124.25 1i88 h GLU 285 Ca 0.08 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 1i88 h GLU 285 Cb 0.73 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 1i88 h GLU 285 CO 0.06 0.31 -0.26 0.00 -0.73 0.00 0.00 179.01 178.40 1i88 h ALA 286 N 1.24 0.26 0.00 2.92 0.00 -1.20 -3.40 119.26 119.08 1i88 h ALA 286 Ca 0.20 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1i88 h ALA 286 Cb 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1i88 h ALA 286 CO -0.13 0.24 -1.64 1.19 0.00 0.00 0.00 179.25 178.91 1i88 n PHE 287 N -4.41 0.00 -0.29 0.00 3.72 0.32 -4.47 117.46 112.33 1i88 n PHE 287 Ca -0.06 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.30 1i88 n PHE 287 Cb 0.44 -0.33 0.07 0.00 -0.94 0.00 0.00 39.48 38.72 1i88 n PHE 287 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1i88 h GLU 288 N 0.00 1.07 0.00 -1.08 4.57 -1.14 -1.10 114.58 116.91 1i88 h GLU 288 Ca 0.00 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1i88 h GLU 288 Cb 0.77 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1i88 h GLU 288 CO 0.00 0.73 -0.01 -1.35 -1.18 0.00 0.00 179.01 177.20 1i88 h PRO 289 N 1.09 0.00 -0.04 0.92 0.11 -1.78 -0.24 132.00 132.06 1i88 h PRO 289 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 1i88 h PRO 289 Cb -0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.02 1i88 h PRO 289 CO -0.06 0.01 0.00 1.28 -0.21 0.00 0.00 178.00 179.02 1i88 n LEU 290 N -3.73 1.83 -0.99 2.35 4.77 -0.49 -4.95 117.00 115.79 1i88 n LEU 290 Ca -0.03 -0.63 -0.11 0.00 -0.03 0.00 0.00 56.01 55.22 1i88 n LEU 290 Cb 0.10 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1i88 n LEU 290 CO 0.27 0.31 -0.12 0.61 -1.33 0.00 0.00 177.39 177.14 1i88 n GLY 291 N 1.21 0.67 3.44 -0.72 0.00 -0.10 -5.01 105.19 104.68 1i88 n GLY 291 Ca 0.18 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 1i88 n GLY 291 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i88 s ILE 292 N -2.46 3.95 0.00 -0.61 1.01 -0.76 -4.93 121.20 117.41 1i88 s ILE 292 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.34 1i88 s ILE 292 Cb 0.00 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.68 1i88 s ILE 292 CO 0.00 0.42 0.00 -1.54 0.00 0.00 0.00 174.94 173.82 1i88 n SER 293 N 4.34 1.26 -4.53 3.58 3.41 -1.26 -4.12 113.62 116.31 1i88 n SER 293 Ca -0.17 -0.23 -0.43 0.00 -0.26 0.00 0.00 58.87 57.79 1i88 n SER 293 Cb 0.52 0.70 -0.04 0.00 -0.26 0.00 0.00 64.21 65.13 1i88 n SER 293 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1i88 s ASP 294 N -0.96 6.33 0.00 4.04 2.15 -1.26 -4.91 116.67 122.06 1i88 s ASP 294 Ca 0.00 -0.33 0.26 0.00 0.43 0.00 0.00 52.55 52.91 1i88 s ASP 294 Cb 0.00 -2.46 1.38 0.00 -0.30 0.00 0.00 42.92 41.54 1i88 s ASP 294 CO 0.00 -1.33 1.87 -1.22 -0.17 0.00 0.00 175.17 174.32 1i88 n TYR 295 N 7.78 0.00 1.14 -5.34 4.01 -1.26 -1.19 117.16 122.30 1i88 n TYR 295 Ca 0.03 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.89 1i88 n TYR 295 Cb 0.48 -0.18 0.29 0.00 -0.31 0.00 0.00 39.34 39.61 1i88 n TYR 295 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1i88 n ASN 296 N -1.18 0.91 -0.48 7.72 3.02 -1.26 -4.06 115.26 119.93 1i88 n ASN 296 Ca 0.15 -0.73 0.14 0.00 -0.03 0.00 0.00 54.58 54.11 1i88 n ASN 296 Cb 0.16 0.24 0.44 0.00 -0.61 0.00 0.00 39.78 40.01 1i88 n ASN 296 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1i88 n SER 297 N -0.93 1.57 -4.55 6.41 3.41 -0.34 -4.85 113.62 114.34 1i88 n SER 297 Ca 0.09 -1.43 -0.26 0.00 -0.26 0.00 0.00 58.87 57.01 1i88 n SER 297 Cb 0.35 0.04 -0.09 0.00 -0.26 0.00 0.00 64.21 64.24 1i88 n SER 297 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1i88 s ILE 298 N -2.10 3.05 0.41 -1.33 -4.36 -1.26 -4.68 121.20 110.93 1i88 s ILE 298 Ca 0.34 -1.84 -0.10 0.00 -0.26 0.00 0.00 60.65 58.79 1i88 s ILE 298 Cb 0.21 -2.54 -0.06 0.00 1.25 0.00 0.00 42.46 41.31 1i88 s ILE 298 CO 0.37 -0.20 0.77 0.72 0.24 0.00 0.00 174.94 176.84 1i88 s PHE 299 N -1.91 3.47 -0.04 1.37 -0.71 -0.34 -4.95 117.98 114.88 1i88 s PHE 299 Ca 0.26 1.03 0.04 0.00 -1.04 0.00 0.00 56.93 57.23 1i88 s PHE 299 Cb -0.08 -2.43 -0.00 0.00 -1.21 0.00 0.00 43.02 39.29 1i88 s PHE 299 CO 0.15 -0.11 -0.16 -1.58 -1.34 0.00 0.00 175.22 172.18 1i88 s TRP 300 N -2.39 1.56 -0.14 3.49 0.52 -1.26 -1.03 118.94 119.70 1i88 s TRP 300 Ca 0.51 -0.42 -0.01 0.00 0.02 0.00 0.00 56.10 56.19 1i88 s TRP 300 Cb -0.10 -1.05 0.04 0.00 -1.15 0.00 0.00 33.47 31.20 1i88 s TRP 300 CO 0.32 -0.14 -0.02 0.42 0.02 0.00 0.00 176.95 177.55 1i88 s ILE 301 N 0.01 0.73 -0.01 2.03 1.09 0.06 -4.75 121.20 120.36 1i88 s ILE 301 Ca -0.02 -0.33 0.04 0.00 -1.10 0.00 0.00 60.65 59.24 1i88 s ILE 301 Cb -0.10 -0.96 -0.01 0.00 -1.06 0.00 0.00 42.46 40.33 1i88 s ILE 301 CO 0.02 0.13 -0.14 0.00 -0.10 0.00 0.00 174.94 174.84 1i88 s ALA 302 N 1.80 1.20 0.03 9.38 0.00 -1.26 -0.59 121.76 132.32 1i88 s ALA 302 Ca 0.02 -0.60 -0.30 0.00 0.00 0.00 0.00 51.96 51.08 1i88 s ALA 302 Cb -0.14 -0.32 -0.08 0.00 0.00 0.00 0.00 23.12 22.58 1i88 s ALA 302 CO -0.07 0.28 1.68 -1.58 0.00 0.00 0.00 175.76 176.07 1i88 s HIS 303 N -0.26 2.19 -1.35 0.00 2.46 -0.12 -4.87 115.29 113.33 1i88 s HIS 303 Ca 0.04 0.21 -0.10 0.00 0.47 0.00 0.00 55.06 55.68 1i88 s HIS 303 Cb -0.06 -3.98 0.11 0.00 -0.13 0.00 0.00 32.58 28.52 1i88 s HIS 303 CO -0.00 -4.02 2.09 -0.35 -2.47 0.00 0.00 174.74 169.99 1i88 n PRO 304 N 6.19 3.52 -0.32 2.88 -0.04 -1.26 -4.73 135.00 141.25 1i88 n PRO 304 Ca 0.17 -3.19 0.08 0.00 -0.04 0.00 0.00 63.50 60.52 1i88 n PRO 304 Cb 0.41 -2.98 0.24 0.00 -0.04 0.00 0.00 33.50 31.12 1i88 n PRO 304 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1i88 h GLY 305 N 8.14 1.48 -2.61 0.55 0.00 -1.93 -3.44 103.07 105.27 1i88 h GLY 305 Ca 0.50 -0.30 0.08 0.00 0.00 0.00 0.00 47.33 47.61 1i88 h GLY 305 CO 1.70 0.01 0.35 -0.32 0.00 0.00 0.00 176.54 178.27 1i88 s GLY 306 N -3.51 -0.33 0.42 4.60 0.00 -1.26 -4.94 107.32 102.29 1i88 s GLY 306 Ca -0.12 0.27 0.13 0.00 0.00 0.00 0.00 44.72 44.99 1i88 s GLY 306 CO 0.79 0.08 1.95 -0.56 0.00 0.00 0.00 173.10 175.36 1i88 h PRO 307 N 2.00 0.08 -0.06 2.90 0.13 -1.85 -2.96 132.00 132.24 1i88 h PRO 307 Ca -0.25 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.80 1i88 h PRO 307 Cb 1.26 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1i88 h PRO 307 CO 0.29 0.27 -0.28 0.00 -0.23 0.00 0.00 178.00 178.05 1i88 h ALA 308 N 1.74 1.42 -0.26 -0.56 0.00 -1.95 -0.34 119.26 119.32 1i88 h ALA 308 Ca 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1i88 h ALA 308 Cb 0.38 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1i88 h ALA 308 CO 0.03 0.42 0.12 0.82 0.00 0.00 0.00 179.25 180.63 1i88 h ILE 309 N 0.09 1.15 -0.19 0.00 2.04 -1.86 -0.98 117.51 117.76 1i88 h ILE 309 Ca 0.01 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 1i88 h ILE 309 Cb 0.55 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1i88 h ILE 309 CO 0.04 0.15 0.11 -0.07 0.00 0.00 0.00 178.15 178.38 1i88 h LEU 310 N 0.28 0.24 -0.57 1.44 3.38 -1.47 -0.70 115.31 117.90 1i88 h LEU 310 Ca 0.09 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1i88 h LEU 310 Cb 0.13 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1i88 h LEU 310 CO -0.01 0.25 0.36 0.44 0.09 0.00 0.00 178.44 179.57 1i88 h ASP 311 N 0.21 0.67 0.16 -0.43 3.32 -0.98 -0.33 116.42 119.03 1i88 h ASP 311 Ca 0.07 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 56.93 1i88 h ASP 311 Cb 0.06 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1i88 h ASP 311 CO -0.01 0.50 -0.54 1.56 -1.72 0.00 0.00 179.24 179.03 1i88 h GLN 312 N 0.77 0.41 -0.31 3.56 4.20 -1.05 -0.43 115.11 122.27 1i88 h GLN 312 Ca 0.21 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 1i88 h GLN 312 Cb -0.06 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1i88 h GLN 312 CO -0.04 0.85 -0.03 0.28 -0.67 0.00 0.00 178.83 179.22 1i88 h VAL 313 N 0.32 1.27 -0.20 -0.54 2.07 -0.92 -0.45 116.25 117.80 1i88 h VAL 313 Ca 0.01 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.53 1i88 h VAL 313 Cb 1.05 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 1i88 h VAL 313 CO 0.09 0.33 0.04 -0.08 0.02 0.00 0.00 177.57 177.97 1i88 h GLU 314 N 0.35 0.11 -0.29 1.57 4.81 -0.90 -1.94 114.58 118.29 1i88 h GLU 314 Ca 0.08 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1i88 h GLU 314 Cb 0.49 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1i88 h GLU 314 CO 0.02 0.07 0.08 1.96 -0.73 0.00 0.00 179.01 180.42 1i88 h GLN 315 N 0.11 0.45 -0.11 1.92 4.20 -1.01 -1.04 115.11 119.63 1i88 h GLN 315 Ca 0.09 -0.10 0.04 0.00 0.06 0.00 0.00 58.65 58.74 1i88 h GLN 315 Cb 0.09 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.76 1i88 h GLN 315 CO -0.13 0.52 -0.16 -0.22 -0.67 0.00 0.00 178.83 178.17 1i88 h LYS 316 N 0.30 -0.20 -0.00 1.46 1.63 -0.86 -2.92 116.57 115.98 1i88 h LYS 316 Ca 0.09 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1i88 h LYS 316 Cb 0.26 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1i88 h LYS 316 CO -0.00 -0.13 -0.22 1.28 -3.45 0.00 0.00 179.45 176.92 1i88 n LEU 317 N -5.30 0.50 -3.33 5.20 4.77 -0.75 -4.93 117.00 113.16 1i88 n LEU 317 Ca -0.03 0.04 -0.20 0.00 -0.03 0.00 0.00 56.01 55.79 1i88 n LEU 317 Cb 0.22 -0.24 0.08 0.00 -2.33 0.00 0.00 43.42 41.14 1i88 n LEU 317 CO 0.22 0.10 0.19 0.00 -1.33 0.00 0.00 177.39 176.57 1i88 n ALA 318 N -1.14 -1.42 -1.77 -1.18 0.00 -0.49 -4.95 120.51 109.56 1i88 n ALA 318 Ca 0.10 0.24 -0.39 0.00 0.00 0.00 0.00 53.44 53.39 1i88 n ALA 318 Cb 0.32 -4.24 -0.03 0.00 0.00 0.00 0.00 19.45 15.50 1i88 n ALA 318 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i88 s LEU 319 N -6.59 4.38 0.50 0.00 1.43 -0.65 -4.94 118.68 112.82 1i88 s LEU 319 Ca 0.37 2.37 -0.23 0.00 -1.03 0.00 0.00 54.13 55.61 1i88 s LEU 319 Cb -0.16 -3.80 -0.06 0.00 0.03 0.00 0.00 46.19 42.20 1i88 s LEU 319 CO 0.68 -0.42 1.36 -0.54 0.23 0.00 0.00 176.35 177.65 1i88 s LYS 320 N -1.87 3.42 0.48 1.70 1.02 -1.26 -4.86 119.74 118.37 1i88 s LYS 320 Ca 0.50 2.24 0.20 0.00 0.02 0.00 0.00 55.97 58.93 1i88 s LYS 320 Cb -0.33 -2.43 1.22 0.00 -0.52 0.00 0.00 37.83 35.78 1i88 s LYS 320 CO 0.42 -0.97 1.97 -1.35 -0.92 0.00 0.00 175.35 174.50 1i88 h PRO 321 N 1.86 0.20 0.00 -1.68 0.11 -1.97 -1.53 132.00 129.00 1i88 h PRO 321 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1i88 h PRO 321 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1i88 h PRO 321 CO 0.59 0.13 0.00 0.93 -0.21 0.00 0.00 178.00 179.44 1i88 h GLU 322 N 0.21 0.00 -0.86 1.05 3.07 -2.02 -3.19 114.58 112.84 1i88 h GLU 322 Ca 0.30 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 59.25 1i88 h GLU 322 Cb 0.88 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.72 1i88 h GLU 322 CO -0.05 0.00 0.51 0.87 -1.40 0.00 0.00 179.01 178.93 1i88 h LYS 323 N 0.00 0.83 -0.29 2.33 1.79 -1.64 -1.25 116.57 118.34 1i88 h LYS 323 Ca 0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1i88 h LYS 323 Cb 0.49 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1i88 h LYS 323 CO 0.00 0.55 0.00 -1.33 -1.08 0.00 0.00 179.45 177.59 1i88 n MET 324 N -4.70 1.74 -0.06 3.15 2.81 -1.20 -4.46 117.12 114.40 1i88 n MET 324 Ca 0.14 -1.14 -0.08 0.00 -1.81 0.00 0.00 57.70 54.82 1i88 n MET 324 Cb 0.27 -1.28 -0.01 0.00 -0.71 0.00 0.00 33.22 31.49 1i88 n MET 324 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1i88 h ASN 325 N 1.92 -0.62 -0.72 7.83 2.35 -1.38 0.14 115.58 125.11 1i88 h ASN 325 Ca 0.00 0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1i88 h ASN 325 Cb 0.44 0.31 -0.03 0.00 0.05 0.00 0.00 38.32 39.09 1i88 h ASN 325 CO 0.00 -0.23 0.20 0.00 -1.65 0.00 0.00 177.43 175.76 1i88 h ALA 326 N 0.96 0.94 -0.09 -0.83 0.00 -1.82 0.27 119.26 118.69 1i88 h ALA 326 Ca 0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1i88 h ALA 326 Cb 0.40 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1i88 h ALA 326 CO -0.37 0.64 0.06 1.15 0.00 0.00 0.00 179.25 180.73 1i88 h THR 327 N 1.07 1.05 -0.08 0.00 2.02 -1.73 -2.33 112.91 112.91 1i88 h THR 327 Ca 0.23 -0.14 -0.09 0.00 0.77 0.00 0.00 66.41 67.18 1i88 h THR 327 Cb 0.33 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1i88 h THR 327 CO -0.00 0.05 -0.36 0.03 0.37 0.00 0.00 175.52 175.61 1i88 h ARG 328 N 0.09 0.17 -0.48 6.66 3.08 -0.41 -1.87 114.38 121.63 1i88 h ARG 328 Ca 0.03 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1i88 h ARG 328 Cb 0.03 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1i88 h ARG 328 CO -0.01 0.51 0.08 1.49 -1.07 0.00 0.00 179.97 180.97 1i88 h GLU 329 N 0.15 0.79 -0.46 0.04 4.57 -0.74 -0.14 114.58 118.79 1i88 h GLU 329 Ca 0.02 -0.21 -0.09 0.00 -1.18 0.00 0.00 59.36 57.90 1i88 h GLU 329 Cb 0.70 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 1i88 h GLU 329 CO 0.05 0.79 -0.06 0.28 -1.18 0.00 0.00 179.01 178.89 1i88 h VAL 330 N 0.66 1.27 -0.58 0.32 2.07 -1.19 -0.86 116.25 117.94 1i88 h VAL 330 Ca 0.15 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.52 1i88 h VAL 330 Cb 0.39 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1i88 h VAL 330 CO 0.01 0.40 0.38 0.25 0.02 0.00 0.00 177.57 178.63 1i88 h LEU 331 N 0.69 0.65 -0.63 2.57 5.85 -1.20 -0.09 115.31 123.16 1i88 h LEU 331 Ca 0.12 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 1i88 h LEU 331 Cb 0.59 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1i88 h LEU 331 CO 0.04 0.47 0.10 -1.28 -0.34 0.00 0.00 178.44 177.42 1i88 h SER 332 N 0.77 1.00 1.42 1.25 0.87 -0.73 0.25 113.55 118.38 1i88 h SER 332 Ca 0.22 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 1i88 h SER 332 Cb -0.07 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.62 1i88 h SER 332 CO -0.05 1.01 -0.59 -0.33 -0.53 0.00 0.00 176.83 176.34 1i88 h GLU 333 N 0.95 0.00 0.00 2.24 4.39 -0.78 0.17 114.58 121.55 1i88 h GLU 333 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1i88 h GLU 333 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1i88 h GLU 333 CO 0.01 0.06 -0.01 0.66 -1.16 0.00 0.00 179.01 178.57 1i88 n TYR 334 N -2.90 0.00 -4.50 4.33 4.01 -0.08 -4.48 117.16 113.54 1i88 n TYR 334 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1i88 n TYR 334 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 1i88 n TYR 334 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i88 n GLY 335 N 0.26 -1.44 3.53 2.72 0.00 0.07 -4.47 105.19 105.87 1i88 n GLY 335 Ca 0.00 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 1i88 n GLY 335 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i88 s ASN 336 N -4.00 6.34 -0.30 1.61 3.84 -0.10 -4.53 114.94 117.79 1i88 s ASN 336 Ca 0.00 -0.31 0.04 0.00 0.21 0.00 0.00 52.86 52.81 1i88 s ASN 336 Cb 0.00 -2.47 0.51 0.00 -0.55 0.00 0.00 41.25 38.74 1i88 s ASN 336 CO 0.00 -1.33 1.63 0.23 -2.79 0.00 0.00 177.10 174.84 1i88 n MET 337 N 7.80 2.23 0.00 0.43 2.81 -1.26 -1.19 117.12 127.95 1i88 n MET 337 Ca 0.03 -2.23 0.00 0.00 -1.81 0.00 0.00 57.70 53.69 1i88 n MET 337 Cb 0.48 -1.90 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 1i88 n MET 337 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1i88 n SER 338 N -0.52 0.00 -0.06 7.83 2.88 -1.26 -2.43 113.62 120.06 1i88 n SER 338 Ca 0.40 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 58.12 1i88 n SER 338 Cb 1.30 0.00 0.61 0.00 -0.75 0.00 0.00 64.21 65.37 1i88 n SER 338 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1i88 h SER 339 N 1.70 0.16 0.91 -3.46 4.64 -1.95 -2.03 113.55 113.52 1i88 h SER 339 Ca 0.00 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1i88 h SER 339 Cb 0.00 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1i88 h SER 339 CO 0.00 0.08 -0.07 0.00 -0.87 0.00 0.00 176.83 175.98 1i88 h ALA 340 N 1.70 1.03 -0.31 5.18 0.00 -1.77 -3.17 119.26 121.92 1i88 h ALA 340 Ca 0.29 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1i88 h ALA 340 Cb 0.93 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1i88 h ALA 340 CO -0.05 0.08 0.07 0.00 0.00 0.00 0.00 179.25 179.36 1i88 h VAL 342 N 0.19 1.15 -0.05 0.00 3.04 -1.80 -0.78 116.25 118.00 1i88 h VAL 342 Ca 0.14 -0.81 -0.22 0.00 -1.01 0.00 0.00 66.70 64.81 1i88 h VAL 342 Cb 0.15 1.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 1i88 h VAL 342 CO -0.18 0.23 -0.86 -0.07 -1.01 0.00 0.00 177.57 175.68 1i88 h LEU 343 N 0.00 0.62 -1.22 3.16 3.38 -1.61 -0.94 115.31 118.70 1i88 h LEU 343 Ca -0.00 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 1i88 h LEU 343 Cb 0.42 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1i88 h LEU 343 CO 0.03 1.23 0.37 -0.26 0.09 0.00 0.00 178.44 179.91 1i88 h PHE 344 N 0.31 0.89 -0.36 1.13 -1.00 -0.47 -2.17 116.94 115.26 1i88 h PHE 344 Ca -0.07 -0.01 -0.15 0.00 2.81 0.00 0.00 57.97 60.55 1i88 h PHE 344 Cb 1.48 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 40.75 1i88 h PHE 344 CO 0.06 0.61 -0.38 0.82 -1.61 0.00 0.00 178.31 177.82 1i88 h ILE 345 N 0.92 1.28 -0.63 -0.55 2.04 -0.82 -0.31 117.51 119.44 1i88 h ILE 345 Ca 0.24 -1.55 0.04 0.00 1.00 0.00 0.00 64.86 64.58 1i88 h ILE 345 Cb 0.01 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 1i88 h ILE 345 CO -0.04 0.51 0.37 -0.07 0.00 0.00 0.00 178.15 178.93 1i88 h LEU 346 N 0.71 0.59 -0.51 1.44 3.38 -0.92 0.47 115.31 120.48 1i88 h LEU 346 Ca 0.06 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1i88 h LEU 346 Cb 0.95 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1i88 h LEU 346 CO 0.09 0.40 0.17 -0.78 0.09 0.00 0.00 178.44 178.41 1i88 h ASP 347 N 0.72 0.74 -0.39 -0.43 3.58 -1.11 -1.70 116.42 117.82 1i88 h ASP 347 Ca 0.26 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1i88 h ASP 347 Cb 0.07 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 1i88 h ASP 347 CO -0.13 0.74 0.25 -0.08 -2.88 0.00 0.00 179.24 177.14 1i88 h GLU 348 N 0.70 0.52 -0.22 0.28 4.57 -0.68 -0.98 114.58 118.76 1i88 h GLU 348 Ca 0.17 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1i88 h GLU 348 Cb 0.26 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1i88 h GLU 348 CO -0.01 0.37 0.13 1.98 -1.18 0.00 0.00 179.01 180.30 1i88 h MET 349 N 0.52 0.30 -0.15 1.92 4.05 -0.72 0.22 114.93 121.07 1i88 h MET 349 Ca 0.14 -0.03 -0.14 0.00 -0.28 0.00 0.00 59.70 59.39 1i88 h MET 349 Cb -0.03 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 1i88 h MET 349 CO -0.03 0.24 -0.52 0.07 0.23 0.00 0.00 176.91 176.91 1i88 h ARG 350 N 0.27 0.41 -0.25 0.39 -0.00 -1.17 -0.60 114.38 113.43 1i88 h ARG 350 Ca 0.08 -0.24 -0.13 0.00 -0.00 0.00 0.00 59.98 59.69 1i88 h ARG 350 Cb 0.02 0.02 -0.00 0.00 -0.00 0.00 0.00 29.97 30.01 1i88 h ARG 350 CO -0.02 0.83 -0.34 0.87 -0.00 0.00 0.00 179.97 181.32 1i88 h LYS 351 N 0.32 0.67 -0.41 0.08 1.57 -1.02 -1.58 116.57 116.20 1i88 h LYS 351 Ca 0.01 -0.39 -0.11 0.00 -1.87 0.00 0.00 60.65 58.30 1i88 h LYS 351 Cb 1.02 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 1i88 h LYS 351 CO 0.09 1.00 -0.18 0.87 -0.57 0.00 0.00 179.45 180.66 1i88 h LYS 352 N 0.39 0.78 -0.73 3.15 1.79 -0.88 0.90 116.57 121.97 1i88 h LYS 352 Ca 0.03 -0.30 -0.04 0.00 -2.18 0.00 0.00 60.65 58.16 1i88 h LYS 352 Cb 0.92 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.49 1i88 h LYS 352 CO 0.08 0.91 0.28 0.77 -1.08 0.00 0.00 179.45 180.41 1i88 h SER 353 N 0.69 1.01 0.45 0.86 0.02 -0.97 -1.19 113.55 114.42 1i88 h SER 353 Ca 0.10 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1i88 h SER 353 Cb 0.68 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1i88 h SER 353 CO 0.05 0.91 -0.21 0.74 -1.14 0.00 0.00 176.83 177.18 1i88 h THR 354 N 1.05 0.34 -0.70 -2.27 2.02 -0.97 -0.03 112.91 112.35 1i88 h THR 354 Ca 0.24 -0.55 0.15 0.00 0.77 0.00 0.00 66.41 67.02 1i88 h THR 354 Cb 0.22 0.51 -0.13 0.00 -1.74 0.00 0.00 68.15 67.02 1i88 h THR 354 CO -0.02 0.06 -0.06 1.56 0.37 0.00 0.00 175.52 177.43 1i88 h GLN 355 N -1.01 0.06 -0.21 6.66 4.20 -0.77 -0.09 115.11 123.95 1i88 h GLN 355 Ca -0.06 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1i88 h GLN 355 Cb 0.57 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1i88 h GLN 355 CO 0.10 0.04 0.00 0.09 -0.67 0.00 0.00 178.83 178.39 1i88 n ASN 356 N -5.38 0.75 -2.15 1.46 5.03 -0.46 -4.91 115.26 109.60 1i88 n ASN 356 Ca 0.11 -2.02 -0.18 0.00 0.87 0.00 0.00 54.58 53.36 1i88 n ASN 356 Cb 0.41 -0.13 0.00 0.00 -1.02 0.00 0.00 39.78 39.04 1i88 n ASN 356 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1i88 n GLY 357 N 0.61 -0.34 3.86 7.41 0.00 -0.05 -5.01 105.19 111.67 1i88 n GLY 357 Ca 0.04 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1i88 n GLY 357 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i88 s LEU 358 N -5.20 2.50 0.17 0.99 1.43 -0.04 -4.98 118.68 113.54 1i88 s LEU 358 Ca 0.07 0.96 0.24 0.00 -1.03 0.00 0.00 54.13 54.37 1i88 s LEU 358 Cb -0.03 -3.50 0.43 0.00 0.03 0.00 0.00 46.19 43.12 1i88 s LEU 358 CO 0.09 -1.93 1.43 0.11 0.23 0.00 0.00 176.35 176.28 1i88 h LYS 359 N -1.07 0.00 -4.61 1.70 1.57 -1.87 -3.43 116.57 108.86 1i88 h LYS 359 Ca -0.47 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.07 1i88 h LYS 359 Cb 1.31 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.47 1i88 h LYS 359 CO 0.64 0.00 -0.64 0.95 -0.57 0.00 0.00 179.45 179.82 1i88 s THR 360 N -3.17 0.31 -0.66 -0.16 -4.23 -1.26 -0.89 115.64 105.58 1i88 s THR 360 Ca 0.07 -1.95 0.23 0.00 -1.18 0.00 0.00 61.69 58.85 1i88 s THR 360 Cb 0.12 -2.20 0.23 0.00 1.34 0.00 0.00 72.50 72.00 1i88 s THR 360 CO 0.69 -0.35 1.70 0.35 -0.54 0.00 0.00 174.62 176.47 1i88 n THR 361 N -0.20 0.75 -2.31 3.99 -2.24 -0.47 -2.83 114.28 110.97 1i88 n THR 361 Ca -0.04 0.11 -0.37 0.00 -2.27 0.00 0.00 64.05 61.48 1i88 n THR 361 Cb 0.64 -0.97 0.02 0.00 -2.10 0.00 0.00 70.33 67.92 1i88 n THR 361 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i88 n GLY 362 N 0.37 5.79 2.65 3.38 0.00 -1.26 -3.70 105.19 112.42 1i88 n GLY 362 Ca 0.03 -2.58 -0.21 0.00 0.00 0.00 0.00 46.02 43.26 1i88 n GLY 362 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i88 n GLU 363 N -0.36 -3.07 -0.85 1.61 1.02 -1.20 -1.25 120.64 116.53 1i88 n GLU 363 Ca 0.48 0.93 0.00 0.00 -0.02 0.00 0.00 57.16 58.54 1i88 n GLU 363 Cb 0.32 -5.62 0.00 0.00 -0.02 0.00 0.00 31.44 26.12 1i88 n GLU 363 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i88 n GLY 364 N -1.24 0.99 3.91 0.62 0.00 -1.13 -4.90 105.19 103.43 1i88 n GLY 364 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 1i88 n GLY 364 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i88 s LEU 365 N 0.00 4.13 -0.16 0.99 1.43 -0.38 -4.64 118.68 120.06 1i88 s LEU 365 Ca 0.00 -0.04 -0.21 0.00 -1.03 0.00 0.00 54.13 52.85 1i88 s LEU 365 Cb 0.00 -2.68 -0.18 0.00 0.03 0.00 0.00 46.19 43.36 1i88 s LEU 365 CO 0.00 -0.04 0.40 -0.08 0.23 0.00 0.00 176.35 176.86 1i88 h GLU 366 N 1.40 0.00 -6.32 1.70 4.81 -1.84 -3.39 114.58 110.94 1i88 h GLU 366 Ca -0.50 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.07 1i88 h GLU 366 Cb 1.23 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.48 1i88 h GLU 366 CO 0.62 0.78 -0.67 -1.58 -0.73 0.00 0.00 179.01 177.43 1i88 s TRP 367 N -2.18 2.98 0.24 0.92 0.52 -1.26 -0.73 118.94 119.43 1i88 s TRP 367 Ca -0.19 -0.02 -0.10 0.00 0.02 0.00 0.00 56.10 55.81 1i88 s TRP 367 Cb 0.01 -1.56 -0.01 0.00 -1.15 0.00 0.00 33.47 30.76 1i88 s TRP 367 CO 0.53 0.47 0.40 0.20 0.02 0.00 0.00 176.95 178.56 1i88 s GLY 368 N -2.11 0.76 0.00 0.98 0.00 0.59 -1.20 107.32 106.34 1i88 s GLY 368 Ca 0.24 -1.08 0.01 0.00 0.00 0.00 0.00 44.72 43.89 1i88 s GLY 368 CO 0.16 -0.81 -0.05 0.54 0.00 0.00 0.00 173.10 172.94 1i88 s VAL 369 N -4.04 0.38 -0.09 1.40 0.11 -0.20 -0.89 120.40 117.07 1i88 s VAL 369 Ca 0.26 -0.31 0.03 0.00 -2.93 0.00 0.00 61.98 59.03 1i88 s VAL 369 Cb 0.01 -0.34 0.01 0.00 -1.53 0.00 0.00 36.38 34.53 1i88 s VAL 369 CO 0.10 0.03 -0.19 -0.22 -3.33 0.00 0.00 175.10 171.49 1i88 s LEU 370 N -0.31 1.90 -0.02 2.54 0.20 -0.14 -0.76 118.68 122.10 1i88 s LEU 370 Ca 0.00 -0.45 0.07 0.00 0.69 0.00 0.00 54.13 54.44 1i88 s LEU 370 Cb -0.03 -1.16 -0.02 0.00 -0.43 0.00 0.00 46.19 44.55 1i88 s LEU 370 CO -0.00 0.10 -0.22 -0.36 -0.29 0.00 0.00 176.35 175.58 1i88 s PHE 371 N 0.50 2.01 -0.06 5.38 0.08 0.24 -0.92 117.98 125.22 1i88 s PHE 371 Ca -0.17 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 56.53 1i88 s PHE 371 Cb -0.17 -1.30 -0.02 0.00 -0.57 0.00 0.00 43.02 40.96 1i88 s PHE 371 CO 0.06 -0.05 -0.21 0.20 -0.10 0.00 0.00 175.22 175.12 1i88 s GLY 372 N -0.48 1.38 -0.01 4.36 0.00 -0.44 -0.95 107.32 111.18 1i88 s GLY 372 Ca 0.07 -1.02 0.05 0.00 0.00 0.00 0.00 44.72 43.82 1i88 s GLY 372 CO -0.00 -0.67 -0.16 -1.36 0.00 0.00 0.00 173.10 170.90 1i88 s PHE 373 N -0.31 1.46 0.00 1.90 0.08 -1.26 -0.82 117.98 119.02 1i88 s PHE 373 Ca 0.01 -0.28 0.00 0.00 0.12 0.00 0.00 56.93 56.78 1i88 s PHE 373 Cb -0.13 -0.93 0.00 0.00 -0.57 0.00 0.00 43.02 41.39 1i88 s PHE 373 CO 0.02 -0.02 0.00 0.41 -0.10 0.00 0.00 175.22 175.54 1i88 n GLY 374 N 2.62 0.89 3.55 4.36 0.00 -0.76 -2.81 105.19 113.05 1i88 n GLY 374 Ca -0.15 -0.76 -0.51 0.00 0.00 0.00 0.00 46.02 44.61 1i88 n GLY 374 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1i88 n PRO 375 N 0.00 0.89 0.00 1.61 -0.02 -1.26 -0.44 135.00 135.78 1i88 n PRO 375 Ca 0.00 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1i88 n PRO 375 Cb 0.00 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1i88 n PRO 375 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i88 n GLY 376 N 1.99 0.65 3.62 -1.23 0.00 -1.26 -3.02 105.19 105.94 1i88 n GLY 376 Ca 0.16 0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.55 1i88 n GLY 376 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1i88 n LEU 377 N 0.00 1.38 -4.79 0.99 0.00 -1.24 -4.45 117.00 108.89 1i88 n LEU 377 Ca 0.00 1.02 -0.36 0.00 0.00 0.00 0.00 56.01 56.67 1i88 n LEU 377 Cb 0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 43.42 42.39 1i88 n LEU 377 CO 0.00 -0.74 -0.24 -0.89 0.00 0.00 0.00 177.39 175.52 1i88 s THR 378 N 3.98 4.92 -0.17 1.96 2.01 0.42 -0.71 115.64 128.05 1i88 s THR 378 Ca 1.07 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 63.03 1i88 s THR 378 Cb -1.39 -3.13 0.02 0.00 0.01 0.00 0.00 72.50 68.02 1i88 s THR 378 CO 0.74 0.59 -0.17 -0.63 -0.69 0.00 0.00 174.62 174.45 1i88 s ILE 379 N -0.99 1.87 -0.13 1.82 1.01 0.09 -1.82 121.20 123.05 1i88 s ILE 379 Ca 0.15 -0.85 -0.09 0.00 0.00 0.00 0.00 60.65 59.86 1i88 s ILE 379 Cb -0.12 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1i88 s ILE 379 CO 0.04 0.48 0.17 -1.61 0.00 0.00 0.00 174.94 174.03 1i88 s GLU 380 N 1.36 3.74 -0.08 2.79 0.41 -0.00 -0.87 118.70 126.04 1i88 s GLU 380 Ca 0.04 -0.08 0.04 0.00 -0.41 0.00 0.00 54.97 54.56 1i88 s GLU 380 Cb -0.13 -3.27 0.00 0.00 -1.78 0.00 0.00 34.13 28.95 1i88 s GLU 380 CO -0.12 0.61 -0.21 0.99 -0.49 0.00 0.00 175.26 176.04 1i88 s THR 381 N -0.56 1.78 -0.09 3.63 2.01 -0.02 -1.33 115.64 121.05 1i88 s THR 381 Ca 0.14 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.27 1i88 s THR 381 Cb -0.12 -1.54 0.02 0.00 0.01 0.00 0.00 72.50 70.87 1i88 s THR 381 CO 0.03 0.50 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.70 1i88 s VAL 382 N 0.28 0.93 -0.12 3.82 1.01 -0.09 -1.20 120.40 125.03 1i88 s VAL 382 Ca -0.13 -0.27 -0.19 0.00 0.00 0.00 0.00 61.98 61.38 1i88 s VAL 382 Cb -0.16 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1i88 s VAL 382 CO 0.06 0.34 0.53 -0.69 0.00 0.00 0.00 175.10 175.34 1i88 s VAL 383 N 1.42 5.15 0.17 2.92 1.01 0.30 -0.96 120.40 130.41 1i88 s VAL 383 Ca -0.01 1.06 0.11 0.00 0.00 0.00 0.00 61.98 63.14 1i88 s VAL 383 Cb -0.13 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1i88 s VAL 383 CO -0.04 0.29 -0.25 -0.76 0.00 0.00 0.00 175.10 174.34 1i88 s LEU 384 N 0.80 2.41 -0.06 3.92 1.43 -0.07 -1.16 118.68 125.95 1i88 s LEU 384 Ca 0.28 -0.82 0.04 0.00 -1.03 0.00 0.00 54.13 52.61 1i88 s LEU 384 Cb -0.16 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.85 1i88 s LEU 384 CO 0.12 0.14 -0.19 -0.60 0.23 0.00 0.00 176.35 176.05 1i88 s ARG 385 N -2.47 2.60 0.99 1.70 3.52 0.04 -0.30 118.95 125.03 1i88 s ARG 385 Ca 0.19 -0.79 -0.16 0.00 -0.13 0.00 0.00 55.73 54.84 1i88 s ARG 385 Cb -0.09 -2.30 0.20 0.00 -1.56 0.00 0.00 34.95 31.20 1i88 s ARG 385 CO 0.09 0.47 1.24 -1.54 -0.81 0.00 0.00 175.30 174.75 1i88 s SER 386 N -0.37 2.88 0.07 -2.12 1.04 0.09 -0.82 113.70 114.48 1i88 s SER 386 Ca 0.03 0.49 0.08 0.00 0.48 0.00 0.00 55.95 57.04 1i88 s SER 386 Cb -0.12 -0.70 -0.03 0.00 0.10 0.00 0.00 66.02 65.27 1i88 s SER 386 CO 0.02 -2.90 -0.22 -0.69 0.98 0.00 0.00 173.24 170.43 1i88 s VAL 387 N -3.59 1.79 0.31 5.02 1.01 -1.23 -4.74 120.40 118.96 1i88 s VAL 387 Ca 0.71 -1.40 -0.29 0.00 0.00 0.00 0.00 61.98 60.99 1i88 s VAL 387 Cb -0.07 -1.58 -0.10 0.00 0.00 0.00 0.00 36.38 34.62 1i88 s VAL 387 CO 0.53 0.11 1.40 0.00 0.00 0.00 0.00 175.10 177.15 1i88 s ALA 388 N -0.96 3.57 0.00 5.51 0.00 -1.26 -1.36 121.76 127.26 1i88 s ALA 388 Ca 0.08 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1i88 s ALA 388 Cb -0.09 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1i88 s ALA 388 CO 0.03 -0.77 0.00 -0.89 0.00 0.00 0.00 175.76 174.13