#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1al8 s GLU 2 N 0.00 3.17 -0.48 3.17 0.41 -1.26 -5.08 118.70 118.63 1al8 s GLU 2 Ca 0.00 -0.41 -0.18 0.00 -0.41 0.00 0.00 54.97 53.97 1al8 s GLU 2 Cb 0.00 -2.85 0.06 0.00 -1.78 0.00 0.00 34.13 29.56 1al8 s GLU 2 CO 0.00 0.60 0.52 0.42 -0.49 0.00 0.00 175.26 176.31 1al8 s ILE 3 N -0.60 5.04 -0.19 -1.63 1.09 -1.26 -4.87 121.20 118.78 1al8 s ILE 3 Ca 0.10 -0.68 0.21 0.00 -1.10 0.00 0.00 60.65 59.18 1al8 s ILE 3 Cb -0.12 -4.20 -0.08 0.00 -1.06 0.00 0.00 42.46 37.01 1al8 s ILE 3 CO 0.02 -0.67 0.91 0.35 -0.10 0.00 0.00 174.94 175.45 1al8 n THR 4 N 5.44 0.65 -3.80 2.92 -2.24 -1.26 -4.98 114.28 111.00 1al8 n THR 4 Ca -0.09 -0.57 -0.10 0.00 -2.27 0.00 0.00 64.05 61.02 1al8 n THR 4 Cb 0.45 -0.36 -0.05 0.00 -2.10 0.00 0.00 70.33 68.26 1al8 n THR 4 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1al8 s ASN 5 N -5.32 -0.11 0.25 3.42 2.20 -1.26 -5.04 114.94 109.09 1al8 s ASN 5 Ca -0.02 -0.59 -0.03 0.00 -0.94 0.00 0.00 52.86 51.28 1al8 s ASN 5 Cb 0.10 0.48 0.49 0.00 -2.00 0.00 0.00 41.25 40.32 1al8 s ASN 5 CO 0.81 -0.92 1.74 0.58 -2.94 0.00 0.00 177.10 176.37 1al8 h VAL 6 N 2.42 0.67 0.00 3.54 2.07 -1.93 -2.38 116.25 120.64 1al8 h VAL 6 Ca -0.31 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1al8 h VAL 6 Cb 1.24 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1al8 h VAL 6 CO 0.45 0.09 -0.00 0.78 0.02 0.00 0.00 177.57 178.91 1al8 h ASN 7 N 0.49 0.00 0.53 0.57 -0.26 -1.98 -2.36 115.58 112.57 1al8 h ASN 7 Ca 0.43 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 56.06 1al8 h ASN 7 Cb 0.65 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.90 1al8 h ASN 7 CO -0.40 0.00 -0.53 -0.33 -1.06 0.00 0.00 177.43 175.11 1al8 h GLU 8 N 0.00 0.01 -0.15 0.81 5.08 -1.85 -2.68 114.58 115.79 1al8 h GLU 8 Ca -0.00 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1al8 h GLU 8 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1al8 h GLU 8 CO 0.00 0.54 0.12 1.88 -1.00 0.00 0.00 179.01 180.54 1al8 h TYR 9 N 0.00 0.00 -0.75 4.33 0.05 -1.58 -1.27 116.97 117.76 1al8 h TYR 9 Ca -0.01 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 1al8 h TYR 9 Cb 0.95 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.65 1al8 h TYR 9 CO 0.00 0.00 0.35 1.49 -1.05 0.00 0.00 178.16 178.95 1al8 h GLU 10 N 0.00 1.09 -0.38 4.88 4.81 -1.63 0.19 114.58 123.53 1al8 h GLU 10 Ca 0.07 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 59.05 1al8 h GLU 10 Cb 0.30 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1al8 h GLU 10 CO -0.00 0.86 -0.10 0.00 -0.73 0.00 0.00 179.01 179.03 1al8 h ALA 11 N 1.17 0.53 -0.48 2.92 0.00 -1.36 -0.45 119.26 121.59 1al8 h ALA 11 Ca 0.26 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1al8 h ALA 11 Cb 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1al8 h ALA 11 CO -0.03 0.40 0.02 0.82 0.00 0.00 0.00 179.25 180.46 1al8 h ILE 12 N 0.55 1.26 -0.72 0.00 2.04 -1.28 -1.82 117.51 117.54 1al8 h ILE 12 Ca 0.10 -1.03 -0.05 0.00 1.00 0.00 0.00 64.86 64.87 1al8 h ILE 12 Cb 0.62 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1al8 h ILE 12 CO 0.04 0.36 0.25 0.00 0.00 0.00 0.00 178.15 178.80 1al8 h ALA 13 N 0.93 0.94 -0.48 1.87 0.00 -0.53 -2.47 119.26 119.52 1al8 h ALA 13 Ca 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1al8 h ALA 13 Cb 0.48 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1al8 h ALA 13 CO 0.02 0.60 0.26 -0.22 0.00 0.00 0.00 179.25 179.92 1al8 h LYS 14 N 1.05 0.65 -0.18 0.00 3.64 -0.83 -0.20 116.57 120.71 1al8 h LYS 14 Ca 0.23 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1al8 h LYS 14 Cb 0.27 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1al8 h LYS 14 CO -0.01 0.48 -0.02 1.96 -2.27 0.00 0.00 179.45 179.59 1al8 h GLN 15 N 0.66 0.32 0.00 1.90 4.20 -0.89 -3.33 115.11 117.97 1al8 h GLN 15 Ca 0.17 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1al8 h GLN 15 Cb 0.02 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1al8 h GLN 15 CO -0.03 0.56 -0.68 0.36 -0.67 0.00 0.00 178.83 178.37 1al8 n LYS 16 N -4.69 0.28 -3.59 1.46 2.85 -1.02 -4.93 118.16 108.51 1al8 n LYS 16 Ca -0.05 0.07 -0.32 0.00 -1.05 0.00 0.00 58.31 56.96 1al8 n LYS 16 Cb 0.24 -1.66 -0.05 0.00 -0.65 0.00 0.00 35.03 32.91 1al8 n LYS 16 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1al8 s LEU 17 N -4.12 4.25 0.49 -5.58 1.43 -0.11 -5.05 118.68 109.98 1al8 s LEU 17 Ca 0.06 0.70 -0.24 0.00 -1.03 0.00 0.00 54.13 53.63 1al8 s LEU 17 Cb 0.14 -3.38 -0.07 0.00 0.03 0.00 0.00 46.19 42.90 1al8 s LEU 17 CO 0.73 0.03 1.37 -2.84 0.23 0.00 0.00 176.35 175.87 1al8 s PRO 18 N -2.63 3.50 0.20 1.29 0.02 -1.26 -4.76 135.00 131.35 1al8 s PRO 18 Ca 0.42 2.28 -0.14 0.00 0.02 0.00 0.00 61.00 63.58 1al8 s PRO 18 Cb -0.12 -2.49 0.20 0.00 0.02 0.00 0.00 34.50 32.11 1al8 s PRO 18 CO 0.23 -0.92 1.64 -0.22 -0.33 0.00 0.00 177.00 177.40 1al8 h LYS 19 N 1.99 0.02 -1.01 5.54 3.64 -1.97 -0.95 116.57 123.84 1al8 h LYS 19 Ca -0.51 -0.00 0.11 0.00 -1.27 0.00 0.00 60.65 58.98 1al8 h LYS 19 Cb 1.28 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 33.01 1al8 h LYS 19 CO 0.60 0.01 0.64 0.52 -2.27 0.00 0.00 179.45 178.95 1al8 h MET 20 N 0.02 1.02 -0.05 1.90 2.86 -1.99 -0.21 114.93 118.47 1al8 h MET 20 Ca 0.27 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.82 1al8 h MET 20 Cb 0.42 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1al8 h MET 20 CO -0.56 0.67 -0.11 0.28 1.06 0.00 0.00 176.91 178.25 1al8 h VAL 21 N 1.05 1.44 -0.38 -2.22 2.07 -1.59 -2.26 116.25 114.36 1al8 h VAL 21 Ca 0.48 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1al8 h VAL 21 Cb 0.40 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1al8 h VAL 21 CO -0.24 0.40 0.25 0.22 0.02 0.00 0.00 177.57 178.22 1al8 h TYR 22 N -0.36 0.48 -0.97 1.57 3.20 -0.91 -1.58 116.97 118.39 1al8 h TYR 22 Ca -0.00 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.93 1al8 h TYR 22 Cb 0.70 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.75 1al8 h TYR 22 CO 0.12 0.30 0.63 -0.44 -1.64 0.00 0.00 178.16 177.14 1al8 h ASP 23 N 0.51 1.04 -0.57 -2.11 3.32 -1.10 -1.05 116.42 116.46 1al8 h ASP 23 Ca 0.14 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 1al8 h ASP 23 Cb -0.06 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 1al8 h ASP 23 CO -0.03 0.70 0.17 0.22 -1.72 0.00 0.00 179.24 178.57 1al8 h TYR 24 N 1.20 0.93 0.13 4.55 3.20 -0.93 -1.60 116.97 124.44 1al8 h TYR 24 Ca 0.40 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 1al8 h TYR 24 Cb 0.06 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.06 1al8 h TYR 24 CO -0.00 0.79 -0.06 1.88 -1.64 0.00 0.00 178.16 179.12 1al8 h TYR 25 N 0.80 -0.16 0.00 -3.82 0.05 -0.58 -3.30 116.97 109.96 1al8 h TYR 25 Ca 0.18 -0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.89 1al8 h TYR 25 Cb 0.30 0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 1al8 h TYR 25 CO 0.02 0.08 -0.34 0.00 -1.05 0.00 0.00 178.16 176.87 1al8 h ALA 26 N 0.45 0.87 -2.93 3.88 0.00 -1.23 -3.48 119.26 116.82 1al8 h ALA 26 Ca -0.02 -0.31 -0.56 0.00 0.00 0.00 0.00 54.91 54.02 1al8 h ALA 26 Cb 0.31 -0.05 0.15 0.00 0.00 0.00 0.00 17.79 18.20 1al8 h ALA 26 CO 0.03 0.42 0.37 0.45 0.00 0.00 0.00 179.25 180.52 1al8 n SER 27 N -3.32 1.70 0.00 0.00 2.88 -0.61 -5.07 113.62 109.21 1al8 n SER 27 Ca 0.01 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 1al8 n SER 27 Cb 0.57 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1al8 n SER 27 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1al8 n GLY 28 N 1.03 6.23 3.80 0.46 0.00 -1.26 -4.76 105.19 110.69 1al8 n GLY 28 Ca 0.13 -2.02 -0.34 0.00 0.00 0.00 0.00 46.02 43.79 1al8 n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1al8 s ALA 29 N -2.01 3.65 0.00 4.61 0.00 0.08 -4.81 121.76 123.28 1al8 s ALA 29 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1al8 s ALA 29 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.44 1al8 s ALA 29 CO 0.00 0.67 0.00 0.39 0.00 0.00 0.00 175.76 176.82 1al8 n GLU 30 N 1.40 0.00 0.10 0.00 1.02 -1.26 -0.28 120.64 121.63 1al8 n GLU 30 Ca -0.15 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.09 1al8 n GLU 30 Cb 0.53 0.00 0.44 0.00 -0.02 0.00 0.00 31.44 32.39 1al8 n GLU 30 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1al8 n ASP 31 N 4.59 0.46 -1.69 1.62 8.00 -1.26 -4.87 116.55 123.40 1al8 n ASP 31 Ca 0.00 0.65 -0.16 0.00 0.71 0.00 0.00 54.79 55.99 1al8 n ASP 31 Cb 0.00 -0.73 -0.02 0.00 -0.02 0.00 0.00 41.12 40.35 1al8 n ASP 31 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1al8 n GLN 32 N -2.05 -1.24 -0.11 -1.24 6.02 0.62 -4.90 117.38 114.48 1al8 n GLN 32 Ca 0.01 0.83 -0.10 0.00 -0.01 0.00 0.00 57.00 57.73 1al8 n GLN 32 Cb 0.15 -5.17 -0.02 0.00 1.02 0.00 0.00 30.24 26.21 1al8 n GLN 32 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 177.06 178.40 1al8 h TRP 33 N 0.00 0.55 -0.04 1.08 7.01 -1.90 -2.96 115.95 119.69 1al8 h TRP 33 Ca -0.37 -0.06 -0.11 0.00 2.11 0.00 0.00 58.89 60.46 1al8 h TRP 33 Cb 1.23 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 28.12 1al8 h TRP 33 CO 0.43 0.56 -0.48 1.15 -2.79 0.00 0.00 178.44 177.31 1al8 h THR 34 N 0.38 1.34 -0.26 2.65 2.02 -1.89 -1.89 112.91 115.26 1al8 h THR 34 Ca 0.11 -1.66 0.03 0.00 0.77 0.00 0.00 66.41 65.66 1al8 h THR 34 Cb 0.28 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 1al8 h THR 34 CO -0.00 0.48 0.05 0.25 0.37 0.00 0.00 175.52 176.67 1al8 h LEU 35 N 0.08 0.01 -0.30 2.58 5.85 -1.77 0.10 115.31 121.87 1al8 h LEU 35 Ca 0.00 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1al8 h LEU 35 Cb 0.87 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1al8 h LEU 35 CO 0.07 0.04 0.01 0.00 -0.34 0.00 0.00 178.44 178.22 1al8 h ALA 36 N 1.19 0.40 -0.85 1.25 0.00 -1.39 -3.16 119.26 116.70 1al8 h ALA 36 Ca 0.12 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1al8 h ALA 36 Cb 0.12 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1al8 h ALA 36 CO -0.16 0.13 0.51 0.93 0.00 0.00 0.00 179.25 180.66 1al8 h GLU 37 N 0.32 0.86 -0.61 0.00 4.39 -0.72 0.23 114.58 119.04 1al8 h GLU 37 Ca 0.09 -0.05 0.18 0.00 0.34 0.00 0.00 59.36 59.91 1al8 h GLU 37 Cb 0.41 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1al8 h GLU 37 CO 0.01 0.57 0.49 -0.91 -1.16 0.00 0.00 179.01 178.01 1al8 h ASN 38 N 0.88 0.00 0.00 1.42 2.35 -0.78 -0.01 115.58 119.45 1al8 h ASN 38 Ca 0.39 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.91 1al8 h ASN 38 Cb 0.29 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 1al8 h ASN 38 CO -0.21 0.00 -1.54 0.54 -1.65 0.00 0.00 177.43 174.57 1al8 n ARG 39 N -4.14 0.55 -0.34 0.81 5.12 -0.41 -4.27 116.66 113.99 1al8 n ARG 39 Ca 0.12 0.40 0.06 0.00 -1.93 0.00 0.00 57.85 56.50 1al8 n ARG 39 Cb 0.73 -1.60 0.21 0.00 -1.16 0.00 0.00 32.46 30.64 1al8 n ARG 39 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 1al8 h ASN 40 N -1.00 0.85 -0.25 0.55 2.35 -0.31 -2.70 115.58 115.07 1al8 h ASN 40 Ca -0.36 0.05 0.06 0.00 -0.55 0.00 0.00 56.30 55.50 1al8 h ASN 40 Cb 1.23 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 1al8 h ASN 40 CO -0.22 0.46 0.18 0.00 -1.65 0.00 0.00 177.43 176.21 1al8 h ALA 41 N 1.51 2.18 0.00 -0.83 0.00 -1.25 -1.14 119.26 119.73 1al8 h ALA 41 Ca 0.46 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 1al8 h ALA 41 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1al8 h ALA 41 CO -0.26 -0.24 -0.14 0.74 0.00 0.00 0.00 179.25 179.35 1al8 h PHE 42 N 0.05 0.00 -0.00 0.00 0.04 -1.72 -2.29 116.94 113.02 1al8 h PHE 42 Ca 0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1al8 h PHE 42 Cb 0.41 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.56 1al8 h PHE 42 CO -0.00 0.14 -0.11 0.43 -0.60 0.00 0.00 178.31 178.17 1al8 n SER 43 N -3.71 0.55 -1.20 2.17 7.64 -0.43 -3.41 113.62 115.22 1al8 n SER 43 Ca -0.02 -0.67 0.11 0.00 1.01 0.00 0.00 58.87 59.30 1al8 n SER 43 Cb 0.25 -0.05 0.29 0.00 -1.01 0.00 0.00 64.21 63.69 1al8 n SER 43 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1al8 n ARG 44 N -0.87 2.51 -4.19 1.43 1.74 -0.86 -4.83 116.66 111.59 1al8 n ARG 44 Ca 0.15 -2.35 -0.34 0.00 -0.77 0.00 0.00 57.85 54.54 1al8 n ARG 44 Cb 0.28 -1.51 -0.15 0.00 -1.02 0.00 0.00 32.46 30.06 1al8 n ARG 44 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1al8 s ILE 45 N -1.13 2.83 0.27 0.55 1.01 -1.22 -2.35 121.20 121.17 1al8 s ILE 45 Ca 0.44 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 60.44 1al8 s ILE 45 Cb 0.23 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1al8 s ILE 45 CO 0.30 0.49 0.40 -0.76 0.00 0.00 0.00 174.94 175.37 1al8 s LEU 46 N 1.16 4.21 0.21 2.97 1.43 -0.46 -4.89 118.68 123.31 1al8 s LEU 46 Ca 0.01 0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 53.12 1al8 s LEU 46 Cb -0.14 -2.88 -0.05 0.00 0.03 0.00 0.00 46.19 43.15 1al8 s LEU 46 CO -0.04 -0.18 0.45 -0.36 0.23 0.00 0.00 176.35 176.45 1al8 s PHE 47 N -2.06 3.47 -0.54 0.29 0.08 -1.26 -0.03 117.98 117.94 1al8 s PHE 47 Ca 0.37 0.55 0.05 0.00 0.12 0.00 0.00 56.93 58.02 1al8 s PHE 47 Cb -0.09 -2.01 0.19 0.00 -0.57 0.00 0.00 43.02 40.54 1al8 s PHE 47 CO 0.30 0.33 0.47 0.54 -0.10 0.00 0.00 175.22 176.76 1al8 n ARG 48 N -0.45 1.12 -1.90 0.44 1.74 -0.55 -4.78 116.66 112.29 1al8 n ARG 48 Ca -0.03 -3.82 -0.38 0.00 -0.77 0.00 0.00 57.85 52.86 1al8 n ARG 48 Cb 0.53 -1.88 0.03 0.00 -1.02 0.00 0.00 32.46 30.12 1al8 n ARG 48 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1al8 s PRO 49 N -0.98 3.22 -0.05 5.56 0.02 -1.26 -4.63 135.00 136.88 1al8 s PRO 49 Ca 0.32 2.10 0.01 0.00 0.02 0.00 0.00 61.00 63.44 1al8 s PRO 49 Cb 0.05 -2.24 -0.03 0.00 0.02 0.00 0.00 34.50 32.30 1al8 s PRO 49 CO -0.15 -1.08 -0.04 1.03 -0.33 0.00 0.00 177.00 176.43 1al8 s ARG 50 N -2.93 2.78 0.46 5.54 1.81 -0.84 -5.02 118.95 120.75 1al8 s ARG 50 Ca 0.71 -0.55 0.07 0.00 -1.72 0.00 0.00 55.73 54.24 1al8 s ARG 50 Cb -0.37 -2.64 -0.01 0.00 -0.45 0.00 0.00 34.95 31.48 1al8 s ARG 50 CO 0.43 0.66 0.36 0.96 -0.68 0.00 0.00 175.30 177.03 1al8 s ILE 51 N -0.91 2.26 -1.41 1.52 -5.25 -1.26 -4.02 121.20 112.13 1al8 s ILE 51 Ca 0.15 -1.45 -0.06 0.00 -0.99 0.00 0.00 60.65 58.29 1al8 s ILE 51 Cb -0.11 -2.72 0.04 0.00 2.95 0.00 0.00 42.46 42.62 1al8 s ILE 51 CO 0.04 0.00 0.80 0.18 -1.79 0.00 0.00 174.94 174.17 1al8 n LEU 52 N -1.57 -2.79 -4.23 0.37 4.77 -1.26 -4.99 117.00 107.30 1al8 n LEU 52 Ca 0.01 -0.82 -0.31 0.00 -0.03 0.00 0.00 56.01 54.87 1al8 n LEU 52 Cb 0.63 -2.58 -0.17 0.00 -2.33 0.00 0.00 43.42 38.97 1al8 n LEU 52 CO 0.42 0.44 -0.55 -0.63 -1.33 0.00 0.00 177.39 175.73 1al8 s ILE 53 N -3.53 1.93 -0.54 -0.08 1.01 -1.26 -5.08 121.20 113.66 1al8 s ILE 53 Ca 0.29 -0.99 -0.27 0.00 0.00 0.00 0.00 60.65 59.68 1al8 s ILE 53 Cb -0.15 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 1al8 s ILE 53 CO 0.83 0.54 1.67 -0.62 0.00 0.00 0.00 174.94 177.35 1al8 s ASP 54 N 0.00 5.74 -0.36 3.58 -1.08 -1.26 -4.83 116.67 118.46 1al8 s ASP 54 Ca -0.07 0.50 0.07 0.00 -0.52 0.00 0.00 52.55 52.53 1al8 s ASP 54 Cb -0.14 -2.54 0.59 0.00 -1.46 0.00 0.00 42.92 39.37 1al8 s ASP 54 CO 0.05 -1.98 1.67 1.33 0.52 0.00 0.00 175.17 176.76 1al8 n VAL 55 N 7.10 2.85 -0.07 1.11 0.24 -1.26 -4.61 118.33 123.69 1al8 n VAL 55 Ca 0.18 -2.36 -0.05 0.00 -2.04 0.00 0.00 64.34 60.06 1al8 n VAL 55 Cb 0.50 -0.39 0.15 0.00 -1.47 0.00 0.00 33.84 32.63 1al8 n VAL 55 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1al8 h THR 56 N 1.05 1.26 -3.82 3.34 2.02 -1.98 -3.40 112.91 111.36 1al8 h THR 56 Ca 0.41 -1.18 -0.66 0.00 0.77 0.00 0.00 66.41 65.75 1al8 h THR 56 Cb 2.21 1.11 -0.37 0.00 -1.74 0.00 0.00 68.15 69.36 1al8 h THR 56 CO 0.72 0.40 -0.79 0.20 0.37 0.00 0.00 175.52 176.41 1al8 s ASN 57 N -6.73 4.37 -0.13 4.18 0.01 -1.26 -5.10 114.94 110.27 1al8 s ASN 57 Ca -0.09 -1.40 -0.06 0.00 -0.71 0.00 0.00 52.86 50.60 1al8 s ASN 57 Cb 0.14 -1.49 -0.04 0.00 0.41 0.00 0.00 41.25 40.27 1al8 s ASN 57 CO 0.81 -0.21 0.09 -0.63 -1.51 0.00 0.00 177.10 175.65 1al8 s ILE 58 N 1.14 5.04 -0.16 0.60 -1.09 -1.26 -4.76 121.20 120.71 1al8 s ILE 58 Ca -0.07 0.04 -0.00 0.00 -2.23 0.00 0.00 60.65 58.38 1al8 s ILE 58 Cb -0.20 -3.20 0.04 0.00 -1.58 0.00 0.00 42.46 37.51 1al8 s ILE 58 CO -0.05 0.56 -0.08 -0.62 -1.23 0.00 0.00 174.94 173.52 1al8 s ASP 59 N -0.54 2.75 -0.05 3.58 2.15 0.68 -5.00 116.67 120.23 1al8 s ASP 59 Ca 0.11 -0.59 0.09 0.00 0.43 0.00 0.00 52.55 52.58 1al8 s ASP 59 Cb -0.12 -0.98 0.19 0.00 -0.30 0.00 0.00 42.92 41.72 1al8 s ASP 59 CO 0.02 -0.15 1.14 1.15 -0.17 0.00 0.00 175.17 177.16 1al8 n MET 60 N 4.85 2.56 -1.64 4.34 0.00 -1.26 -3.46 117.12 122.51 1al8 n MET 60 Ca -0.13 -2.03 -0.32 0.00 0.00 0.00 0.00 57.70 55.22 1al8 n MET 60 Cb 0.48 -1.27 0.06 0.00 0.00 0.00 0.00 33.22 32.49 1al8 n MET 60 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1al8 s THR 61 N -1.66 3.35 0.28 3.17 -4.23 -1.20 -3.72 115.64 111.63 1al8 s THR 61 Ca 0.17 0.57 -0.14 0.00 -1.18 0.00 0.00 61.69 61.11 1al8 s THR 61 Cb 0.13 -3.09 0.01 0.00 1.34 0.00 0.00 72.50 70.89 1al8 s THR 61 CO 0.05 -0.45 0.56 0.28 -0.54 0.00 0.00 174.62 174.52 1al8 s THR 62 N -2.53 0.00 -0.21 3.99 -1.32 -0.19 -4.82 115.64 110.56 1al8 s THR 62 Ca 0.65 -1.30 0.01 0.00 -1.21 0.00 0.00 61.69 59.83 1al8 s THR 62 Cb -0.19 -2.27 0.03 0.00 -1.51 0.00 0.00 72.50 68.55 1al8 s THR 62 CO 0.46 0.00 -0.15 -0.89 -2.21 0.00 0.00 174.62 171.82 1al8 s THR 63 N -3.73 2.28 -0.24 5.08 2.01 -1.26 0.07 115.64 119.85 1al8 s THR 63 Ca 0.20 -1.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.10 1al8 s THR 63 Cb -0.02 -2.07 0.00 0.00 0.01 0.00 0.00 72.50 70.42 1al8 s THR 63 CO 0.10 0.37 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.73 1al8 s ILE 64 N 1.27 3.30 -1.51 1.82 -1.09 0.11 -4.60 121.20 120.50 1al8 s ILE 64 Ca 0.01 -0.65 -0.13 0.00 -2.23 0.00 0.00 60.65 57.65 1al8 s ILE 64 Cb -0.15 -2.57 0.09 0.00 -1.58 0.00 0.00 42.46 38.26 1al8 s ILE 64 CO -0.10 0.33 0.80 0.18 -1.23 0.00 0.00 174.94 174.92 1al8 n LEU 65 N 4.77 -2.12 0.00 2.97 4.77 -1.26 -0.41 117.00 125.72 1al8 n LEU 65 Ca -0.17 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.11 1al8 n LEU 65 Cb 0.50 -2.37 0.00 0.00 -2.33 0.00 0.00 43.42 39.21 1al8 n LEU 65 CO 0.29 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1al8 n GLY 66 N -1.49 3.23 3.69 -0.72 0.00 -1.26 -5.02 105.19 103.62 1al8 n GLY 66 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1al8 n GLY 66 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1al8 s PHE 67 N -1.99 3.47 -0.12 1.61 0.08 0.46 -5.00 117.98 116.48 1al8 s PHE 67 Ca 0.00 1.12 -0.26 0.00 0.12 0.00 0.00 56.93 57.91 1al8 s PHE 67 Cb 0.00 -2.83 -0.02 0.00 -0.57 0.00 0.00 43.02 39.60 1al8 s PHE 67 CO 0.00 -0.06 0.84 0.21 -0.10 0.00 0.00 175.22 176.11 1al8 s LYS 68 N 1.43 4.37 0.27 0.44 2.47 -1.26 0.10 119.74 127.56 1al8 s LYS 68 Ca 0.34 1.08 0.06 0.00 -1.56 0.00 0.00 55.97 55.89 1al8 s LYS 68 Cb -0.17 -3.53 -0.06 0.00 -1.46 0.00 0.00 37.83 32.61 1al8 s LYS 68 CO 0.14 -0.22 -0.06 0.96 0.16 0.00 0.00 175.35 176.32 1al8 s ILE 69 N 1.76 1.60 -0.06 5.43 -4.36 0.11 -4.98 121.20 120.70 1al8 s ILE 69 Ca 0.41 -2.13 0.23 0.00 -0.26 0.00 0.00 60.65 58.90 1al8 s ILE 69 Cb -0.17 -2.40 0.23 0.00 1.25 0.00 0.00 42.46 41.36 1al8 s ILE 69 CO 0.16 -0.33 1.70 0.77 0.24 0.00 0.00 174.94 177.48 1al8 h SER 70 N 2.32 0.00 -4.99 4.36 4.64 -1.63 -0.48 113.55 117.76 1al8 h SER 70 Ca -0.40 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.89 1al8 h SER 70 Cb 1.23 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.17 1al8 h SER 70 CO 0.66 0.23 0.20 0.00 -0.87 0.00 0.00 176.83 177.06 1al8 s MET 71 N -3.39 1.17 0.00 4.77 0.00 -1.24 -3.27 119.30 117.34 1al8 s MET 71 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 55.69 55.59 1al8 s MET 71 Cb 0.08 0.54 0.00 0.00 0.00 0.00 0.00 34.83 35.46 1al8 s MET 71 CO 0.66 -0.45 0.74 -0.35 0.00 0.00 0.00 175.02 175.62 1al8 n PRO 72 N 0.23 0.99 -3.95 3.16 -0.04 -1.25 -4.74 135.00 129.39 1al8 n PRO 72 Ca -0.18 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.94 1al8 n PRO 72 Cb 0.61 -1.25 -0.14 0.00 -0.04 0.00 0.00 33.50 32.68 1al8 n PRO 72 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1al8 s ILE 73 N -0.50 2.89 0.48 0.52 1.01 -1.26 -0.84 121.20 123.50 1al8 s ILE 73 Ca 0.00 -1.09 0.04 0.00 0.00 0.00 0.00 60.65 59.60 1al8 s ILE 73 Cb 0.00 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 1al8 s ILE 73 CO 0.00 0.15 0.06 -0.04 0.00 0.00 0.00 174.94 175.11 1al8 s MET 74 N 1.31 2.14 -0.24 2.79 -1.94 0.40 -4.65 119.30 119.12 1al8 s MET 74 Ca -0.01 -2.23 -0.09 0.00 -1.71 0.00 0.00 55.69 51.65 1al8 s MET 74 Cb -0.17 -1.66 -0.04 0.00 2.01 0.00 0.00 34.83 34.97 1al8 s MET 74 CO -0.04 -0.28 0.11 0.42 -0.01 0.00 0.00 175.02 175.22 1al8 s ILE 75 N -2.80 4.90 0.63 2.53 1.09 -0.17 -1.51 121.20 125.87 1al8 s ILE 75 Ca 0.20 0.02 -0.11 0.00 -1.10 0.00 0.00 60.65 59.65 1al8 s ILE 75 Cb 0.04 -3.28 -0.03 0.00 -1.06 0.00 0.00 42.46 38.13 1al8 s ILE 75 CO 0.11 0.35 1.04 0.00 -0.10 0.00 0.00 174.94 176.34 1al8 s ALA 76 N 1.17 2.99 -0.20 9.38 0.00 -0.19 -1.24 121.76 133.68 1al8 s ALA 76 Ca 0.06 -0.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.71 1al8 s ALA 76 Cb -0.14 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1al8 s ALA 76 CO 0.05 -0.80 1.03 -1.25 0.00 0.00 0.00 175.76 174.78 1al8 s PRO 77 N -5.06 4.30 -0.12 0.00 0.04 -1.25 -4.65 135.00 128.26 1al8 s PRO 77 Ca 0.56 1.36 0.01 0.00 0.04 0.00 0.00 61.00 62.97 1al8 s PRO 77 Cb -0.12 -3.62 0.02 0.00 0.04 0.00 0.00 34.50 30.82 1al8 s PRO 77 CO 0.53 -0.55 -0.14 0.95 0.04 0.00 0.00 177.00 177.83 1al8 s THR 78 N 2.90 1.46 0.62 1.26 -4.23 -1.26 -4.89 115.64 111.50 1al8 s THR 78 Ca 0.45 -0.60 -0.18 0.00 -1.18 0.00 0.00 61.69 60.18 1al8 s THR 78 Cb -0.16 -1.36 -0.02 0.00 1.34 0.00 0.00 72.50 72.30 1al8 s THR 78 CO 0.09 0.44 1.25 0.00 -0.54 0.00 0.00 174.62 175.86 1al8 s ALA 79 N 1.20 2.45 -1.15 3.99 0.00 -1.26 -4.31 121.76 122.68 1al8 s ALA 79 Ca -0.02 1.12 -0.29 0.00 0.00 0.00 0.00 51.96 52.77 1al8 s ALA 79 Cb -0.14 -3.51 0.04 0.00 0.00 0.00 0.00 23.12 19.51 1al8 s ALA 79 CO -0.05 -1.41 0.68 -1.33 0.00 0.00 0.00 175.76 173.66 1al8 n MET 80 N -1.78 -0.50 0.31 0.00 2.81 0.36 -4.87 117.12 113.46 1al8 n MET 80 Ca 0.15 0.21 0.21 0.00 -1.81 0.00 0.00 57.70 56.45 1al8 n MET 80 Cb 0.49 -2.62 1.01 0.00 -0.71 0.00 0.00 33.22 31.39 1al8 n MET 80 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1al8 h GLN 81 N -2.24 0.00 0.00 0.03 4.20 -1.87 -2.32 115.11 112.91 1al8 h GLN 81 Ca -0.70 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.01 1al8 h GLN 81 Cb 1.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.18 1al8 h GLN 81 CO 0.49 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 180.28 1al8 n LYS 82 N -3.09 0.14 0.23 1.46 5.02 -1.25 -1.22 118.16 119.45 1al8 n LYS 82 Ca -0.02 0.45 0.13 0.00 -2.02 0.00 0.00 58.31 56.86 1al8 n LYS 82 Cb 0.17 -1.81 0.30 0.00 -0.02 0.00 0.00 35.03 33.67 1al8 n LYS 82 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 1al8 h MET 83 N 0.00 0.00 0.01 1.97 4.05 -1.78 -3.17 114.93 116.01 1al8 h MET 83 Ca 0.00 0.00 -0.31 0.00 -0.28 0.00 0.00 59.70 59.11 1al8 h MET 83 Cb 0.24 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 30.99 1al8 h MET 83 CO 0.00 0.01 -1.83 0.00 0.23 0.00 0.00 176.91 175.32 1al8 n ALA 84 N -2.10 1.42 -3.64 0.39 0.00 -0.36 -4.93 120.51 111.30 1al8 n ALA 84 Ca 0.03 -0.82 -0.09 0.00 0.00 0.00 0.00 53.44 52.56 1al8 n ALA 84 Cb 0.48 -0.74 -0.07 0.00 0.00 0.00 0.00 19.45 19.11 1al8 n ALA 84 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1al8 s HIS 85 N -2.58 -0.83 0.40 0.00 5.65 -1.03 -3.77 115.29 113.14 1al8 s HIS 85 Ca -0.08 1.83 0.19 0.00 0.25 0.00 0.00 55.06 57.25 1al8 s HIS 85 Cb 0.08 0.43 1.13 0.00 -1.18 0.00 0.00 32.58 33.04 1al8 s HIS 85 CO 0.82 -0.41 1.76 -1.00 -0.65 0.00 0.00 174.74 175.26 1al8 h PRO 86 N 5.79 0.36 -0.40 2.88 0.13 -1.85 0.32 132.00 139.23 1al8 h PRO 86 Ca -0.29 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.75 1al8 h PRO 86 Cb 1.19 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1al8 h PRO 86 CO 0.12 0.24 -0.05 0.93 -0.23 0.00 0.00 178.00 179.00 1al8 h GLU 87 N 0.37 0.66 0.00 0.86 4.39 -1.91 -3.46 114.58 115.49 1al8 h GLU 87 Ca 0.61 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 60.12 1al8 h GLU 87 Cb 1.58 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.15 1al8 h GLU 87 CO -0.30 0.72 0.00 0.41 -1.16 0.00 0.00 179.01 178.68 1al8 n GLY 88 N -0.65 3.09 0.27 -3.84 0.00 0.11 -1.37 105.19 102.80 1al8 n GLY 88 Ca 0.02 0.24 0.14 0.00 0.00 0.00 0.00 46.02 46.42 1al8 n GLY 88 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1al8 h GLU 89 N 0.00 0.00 -0.13 1.61 3.07 -1.87 -2.55 114.58 114.71 1al8 h GLU 89 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1al8 h GLU 89 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1al8 h GLU 89 CO 0.00 0.09 -0.02 1.88 -1.40 0.00 0.00 179.01 179.57 1al8 h TYR 90 N 0.00 0.26 -0.02 4.33 -1.99 -1.61 0.23 116.97 118.17 1al8 h TYR 90 Ca -0.00 -0.05 0.01 0.00 2.00 0.00 0.00 58.73 60.69 1al8 h TYR 90 Cb 0.33 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.98 1al8 h TYR 90 CO 0.00 0.50 -0.03 0.00 -0.00 0.00 0.00 178.16 178.63 1al8 h ALA 91 N 0.72 -0.01 -0.55 3.88 0.00 -1.47 -1.85 119.26 119.99 1al8 h ALA 91 Ca 0.03 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1al8 h ALA 91 Cb 0.41 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1al8 h ALA 91 CO 0.01 -0.52 0.34 1.15 0.00 0.00 0.00 179.25 180.22 1al8 h THR 92 N -0.05 1.07 -0.58 0.00 2.02 -1.42 -0.18 112.91 113.77 1al8 h THR 92 Ca 0.02 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 1al8 h THR 92 Cb 0.08 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1al8 h THR 92 CO -0.05 0.12 0.26 0.00 0.37 0.00 0.00 175.52 176.22 1al8 h ALA 93 N 1.24 0.75 -0.40 6.16 0.00 -0.81 -1.07 119.26 125.13 1al8 h ALA 93 Ca 0.22 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1al8 h ALA 93 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1al8 h ALA 93 CO -0.09 0.33 -0.32 0.00 0.00 0.00 0.00 179.25 179.17 1al8 h ARG 94 N 0.79 0.89 -0.53 0.00 3.08 -0.96 -1.63 114.38 116.03 1al8 h ARG 94 Ca 0.20 -0.43 -0.07 0.00 0.07 0.00 0.00 59.98 59.74 1al8 h ARG 94 Cb 0.15 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1al8 h ARG 94 CO -0.02 1.08 0.04 0.00 -1.07 0.00 0.00 179.97 180.00 1al8 h ALA 95 N 0.88 0.71 -0.39 0.04 0.00 -0.87 -1.47 119.26 118.15 1al8 h ALA 95 Ca 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1al8 h ALA 95 Cb 0.89 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1al8 h ALA 95 CO 0.08 0.49 0.16 0.00 0.00 0.00 0.00 179.25 179.99 1al8 h ALA 96 N 0.96 0.51 -0.48 0.00 0.00 -1.09 -0.09 119.26 119.08 1al8 h ALA 96 Ca 0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1al8 h ALA 96 Cb 0.47 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1al8 h ALA 96 CO 0.02 0.11 0.10 0.77 0.00 0.00 0.00 179.25 180.24 1al8 h SER 97 N 0.49 0.75 -0.72 0.00 0.02 -1.24 -1.15 113.55 111.70 1al8 h SER 97 Ca 0.13 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1al8 h SER 97 Cb 0.17 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1al8 h SER 97 CO -0.01 0.80 0.44 0.00 -1.14 0.00 0.00 176.83 176.92 1al8 h ALA 98 N 0.97 0.91 0.00 3.77 0.00 -1.05 -1.73 119.26 122.13 1al8 h ALA 98 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1al8 h ALA 98 Cb 0.36 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1al8 h ALA 98 CO 0.01 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1al8 n ALA 99 N -2.32 2.13 -2.09 0.00 0.00 -0.06 -4.90 120.51 113.26 1al8 n ALA 99 Ca 0.06 -0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.32 1al8 n ALA 99 Cb 0.05 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.12 1al8 n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1al8 n GLY 100 N 0.78 0.10 2.00 0.00 0.00 -0.65 -4.67 105.19 102.75 1al8 n GLY 100 Ca 0.09 -0.55 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 1al8 n GLY 100 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1al8 n THR 101 N -3.92 0.00 -3.95 2.61 5.66 -0.51 -1.83 114.28 112.34 1al8 n THR 101 Ca -0.10 -1.35 -0.34 0.00 -3.05 0.00 0.00 64.05 59.21 1al8 n THR 101 Cb 0.55 0.34 -0.06 0.00 -1.55 0.00 0.00 70.33 69.62 1al8 n THR 101 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1al8 s ILE 102 N -2.15 5.26 -0.06 1.09 1.01 -1.26 -4.38 121.20 120.71 1al8 s ILE 102 Ca 0.04 -0.16 0.04 0.00 0.00 0.00 0.00 60.65 60.57 1al8 s ILE 102 Cb 0.00 -3.42 -0.00 0.00 0.01 0.00 0.00 42.46 39.05 1al8 s ILE 102 CO 0.03 0.38 -0.20 -0.32 0.00 0.00 0.00 174.94 174.83 1al8 s MET 103 N -1.73 2.19 -0.21 2.79 -2.45 -1.16 -1.00 119.30 117.73 1al8 s MET 103 Ca 0.24 -0.70 -0.09 0.00 -1.25 0.00 0.00 55.69 53.89 1al8 s MET 103 Cb -0.12 -1.81 -0.04 0.00 1.25 0.00 0.00 34.83 34.10 1al8 s MET 103 CO 0.15 0.23 0.10 0.99 1.05 0.00 0.00 175.02 177.54 1al8 s THR 104 N 0.13 5.01 -0.20 10.11 2.01 -0.37 -1.12 115.64 131.22 1al8 s THR 104 Ca -0.08 0.05 -0.16 0.00 0.31 0.00 0.00 61.69 61.81 1al8 s THR 104 Cb -0.14 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 1al8 s THR 104 CO 0.04 0.42 0.41 -0.22 -0.69 0.00 0.00 174.62 174.58 1al8 s LEU 105 N 0.64 4.15 0.69 4.42 2.96 0.49 -3.91 118.68 128.12 1al8 s LEU 105 Ca 0.05 0.53 -0.15 0.00 -0.22 0.00 0.00 54.13 54.35 1al8 s LEU 105 Cb -0.13 -2.54 0.02 0.00 0.50 0.00 0.00 46.19 44.05 1al8 s LEU 105 CO 0.01 -0.10 1.14 -0.55 -1.32 0.00 0.00 176.35 175.53 1al8 s SER 106 N 1.08 4.75 0.15 3.68 0.15 -1.26 -0.15 113.70 122.10 1al8 s SER 106 Ca 0.20 2.09 -0.06 0.00 0.70 0.00 0.00 55.95 58.88 1al8 s SER 106 Cb -0.15 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.59 1al8 s SER 106 CO 0.08 -1.88 1.40 0.28 1.20 0.00 0.00 173.24 174.32 1al8 h SER 107 N -0.19 0.69 -0.26 5.45 0.02 -1.92 -3.10 113.55 114.24 1al8 h SER 107 Ca -0.47 -0.44 -0.17 0.00 -0.84 0.00 0.00 61.79 59.88 1al8 h SER 107 Cb 1.26 -0.20 -0.08 0.00 0.14 0.00 0.00 62.40 63.52 1al8 h SER 107 CO 0.52 1.20 0.21 0.79 -1.14 0.00 0.00 176.83 178.41 1al8 n TRP 108 N -3.90 0.84 -2.44 3.45 5.03 -1.26 -4.65 117.44 114.51 1al8 n TRP 108 Ca -0.05 -1.34 -0.32 0.00 3.03 0.00 0.00 57.50 58.82 1al8 n TRP 108 Cb 0.70 -0.66 -0.04 0.00 -1.03 0.00 0.00 31.31 30.29 1al8 n TRP 108 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1al8 s ALA 109 N -0.96 3.05 -1.42 6.99 0.00 -1.17 -0.48 121.76 127.75 1al8 s ALA 109 Ca 0.16 0.23 0.12 0.00 0.00 0.00 0.00 51.96 52.47 1al8 s ALA 109 Cb 0.13 -3.13 0.45 0.00 0.00 0.00 0.00 23.12 20.58 1al8 s ALA 109 CO 0.01 -0.21 1.32 0.25 0.00 0.00 0.00 175.76 177.13 1al8 n THR 110 N -1.46 1.06 -3.78 0.00 -2.24 -1.26 -2.63 114.28 103.98 1al8 n THR 110 Ca 0.07 -0.73 -0.13 0.00 -2.27 0.00 0.00 64.05 60.99 1al8 n THR 110 Cb 0.54 0.05 -0.13 0.00 -2.10 0.00 0.00 70.33 68.69 1al8 n THR 110 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1al8 s SER 111 N -0.80 -0.21 0.71 3.42 0.01 -1.26 -4.65 113.70 110.92 1al8 s SER 111 Ca 0.33 0.42 -0.11 0.00 1.31 0.00 0.00 55.95 57.89 1al8 s SER 111 Cb 0.20 0.38 0.02 0.00 0.21 0.00 0.00 66.02 66.82 1al8 s SER 111 CO 0.17 -0.11 1.08 -0.94 0.41 0.00 0.00 173.24 173.85 1al8 s SER 112 N 0.56 5.34 0.28 2.44 1.04 -1.26 -4.57 113.70 117.53 1al8 s SER 112 Ca -0.04 1.33 0.02 0.00 0.48 0.00 0.00 55.95 57.73 1al8 s SER 112 Cb -0.05 -2.17 0.60 0.00 0.10 0.00 0.00 66.02 64.50 1al8 s SER 112 CO -0.03 -1.43 1.77 -0.37 0.98 0.00 0.00 173.24 174.16 1al8 h VAL 113 N -0.71 0.74 0.00 5.02 -1.51 -1.94 0.91 116.25 118.76 1al8 h VAL 113 Ca -0.45 -0.24 -0.10 0.00 -1.23 0.00 0.00 66.70 64.68 1al8 h VAL 113 Cb 1.24 -0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 30.35 1al8 h VAL 113 CO 0.61 0.13 -0.47 1.05 -1.23 0.00 0.00 177.57 177.66 1al8 h GLU 114 N 0.71 0.00 -0.18 5.19 9.09 -1.91 0.94 114.58 128.41 1al8 h GLU 114 Ca 0.51 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.84 1al8 h GLU 114 Cb 0.72 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.82 1al8 h GLU 114 CO -0.36 0.47 -0.17 0.93 0.05 0.00 0.00 179.01 179.93 1al8 h GLU 115 N 0.00 0.44 -0.36 1.06 5.08 -1.25 -1.55 114.58 118.00 1al8 h GLU 115 Ca -0.00 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1al8 h GLU 115 Cb 1.04 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1al8 h GLU 115 CO 0.06 0.79 0.13 0.28 -1.00 0.00 0.00 179.01 179.28 1al8 h VAL 116 N 0.09 1.20 0.00 3.13 2.07 -0.94 -2.38 116.25 119.42 1al8 h VAL 116 Ca 0.03 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1al8 h VAL 116 Cb 0.71 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1al8 h VAL 116 CO 0.04 0.22 -0.06 0.00 0.02 0.00 0.00 177.57 177.79 1al8 h ALA 117 N 0.97 1.14 0.00 1.67 0.00 -0.78 -2.10 119.26 120.17 1al8 h ALA 117 Ca 0.12 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1al8 h ALA 117 Cb 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1al8 h ALA 117 CO -0.01 0.07 -0.28 0.66 0.00 0.00 0.00 179.25 179.70 1al8 h SER 118 N 0.00 0.00 -0.18 0.00 4.64 -0.73 -3.17 113.55 114.11 1al8 h SER 118 Ca -0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1al8 h SER 118 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1al8 h SER 118 CO 0.01 0.28 0.15 0.71 -0.87 0.00 0.00 176.83 177.10 1al8 h THR 119 N 0.00 0.71 0.00 2.95 1.35 -1.36 -3.48 112.91 113.07 1al8 h THR 119 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1al8 h THR 119 Cb 0.86 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1al8 h THR 119 CO 0.04 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 1al8 n GLY 120 N -1.49 0.39 3.75 5.82 0.00 -1.20 -4.98 105.19 107.48 1al8 n GLY 120 Ca 0.01 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 1al8 n GLY 120 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1al8 s PRO 121 N -2.00 4.72 0.00 1.61 0.02 -1.26 -4.87 135.00 133.22 1al8 s PRO 121 Ca 0.00 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.64 1al8 s PRO 121 Cb 0.00 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.25 1al8 s PRO 121 CO 0.00 0.29 0.00 0.41 -0.33 0.00 0.00 177.00 177.37 1al8 n GLY 122 N 1.65 1.86 3.68 0.52 0.00 -1.26 -4.80 105.19 106.84 1al8 n GLY 122 Ca -0.00 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 1al8 n GLY 122 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1al8 s ILE 123 N -2.00 5.09 0.05 -0.61 1.01 -1.26 -5.04 121.20 118.43 1al8 s ILE 123 Ca 0.00 1.08 0.03 0.00 0.00 0.00 0.00 60.65 61.76 1al8 s ILE 123 Cb 0.00 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 1al8 s ILE 123 CO 0.00 0.19 -0.09 -0.13 0.00 0.00 0.00 174.94 174.90 1al8 s ARG 124 N 1.46 0.61 0.14 2.79 0.52 -1.26 -2.99 118.95 120.21 1al8 s ARG 124 Ca 0.27 -0.82 0.09 0.00 -0.52 0.00 0.00 55.73 54.75 1al8 s ARG 124 Cb -0.16 -0.43 -0.04 0.00 0.52 0.00 0.00 34.95 34.84 1al8 s ARG 124 CO 0.11 0.08 -0.15 -0.06 0.02 0.00 0.00 175.30 175.30 1al8 s PHE 125 N -1.38 2.58 -0.16 -0.53 0.08 -0.27 -1.24 117.98 117.06 1al8 s PHE 125 Ca -0.08 -0.24 -0.02 0.00 0.12 0.00 0.00 56.93 56.71 1al8 s PHE 125 Cb -0.10 -1.33 -0.02 0.00 -0.57 0.00 0.00 43.02 41.00 1al8 s PHE 125 CO 0.01 0.43 -0.08 0.12 -0.10 0.00 0.00 175.22 175.61 1al8 s PHE 126 N -1.33 2.92 -0.21 0.36 5.36 -0.01 -0.38 117.98 124.69 1al8 s PHE 126 Ca 0.21 -0.59 -0.20 0.00 -0.96 0.00 0.00 56.93 55.39 1al8 s PHE 126 Cb -0.10 -1.95 -0.03 0.00 -0.34 0.00 0.00 43.02 40.60 1al8 s PHE 126 CO 0.12 -0.23 0.58 -1.14 -1.46 0.00 0.00 175.22 173.09 1al8 s GLN 127 N 0.63 4.18 -0.18 10.12 -0.44 0.79 -0.53 119.66 134.23 1al8 s GLN 127 Ca -0.04 0.51 -0.08 0.00 -2.50 0.00 0.00 55.36 53.24 1al8 s GLN 127 Cb -0.15 -3.59 -0.04 0.00 -1.64 0.00 0.00 33.01 27.59 1al8 s GLN 127 CO 0.03 -0.23 0.10 -1.17 0.50 0.00 0.00 175.29 174.51 1al8 s LEU 128 N 1.90 4.04 -0.19 3.68 0.20 0.61 -2.82 118.68 126.10 1al8 s LEU 128 Ca 0.26 0.19 -0.02 0.00 0.69 0.00 0.00 54.13 55.25 1al8 s LEU 128 Cb -0.16 -2.02 -0.01 0.00 -0.43 0.00 0.00 46.19 43.57 1al8 s LEU 128 CO 0.10 0.22 -0.08 -0.31 -0.29 0.00 0.00 176.35 175.98 1al8 s TYR 129 N 0.13 2.90 -0.31 5.38 2.02 -1.26 -2.61 117.35 123.59 1al8 s TYR 129 Ca 0.07 -0.89 -0.22 0.00 -0.37 0.00 0.00 57.07 55.65 1al8 s TYR 129 Cb -0.12 -2.01 -0.00 0.00 -0.40 0.00 0.00 41.96 39.43 1al8 s TYR 129 CO -0.00 -0.45 0.74 0.08 -1.57 0.00 0.00 175.55 174.35 1al8 s VAL 130 N 1.09 4.83 0.55 0.71 1.01 -1.26 -4.97 120.40 122.36 1al8 s VAL 130 Ca 0.01 1.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.99 1al8 s VAL 130 Cb -0.15 -4.11 -0.00 0.00 0.00 0.00 0.00 36.38 32.12 1al8 s VAL 130 CO -0.02 -0.24 0.85 -0.31 0.00 0.00 0.00 175.10 175.38 1al8 s TYR 131 N 2.87 3.32 0.26 5.22 1.51 -1.26 -1.14 117.35 128.13 1al8 s TYR 131 Ca 0.30 0.63 -0.03 0.00 -1.01 0.00 0.00 57.07 56.96 1al8 s TYR 131 Cb -0.14 -2.59 0.34 0.00 -0.11 0.00 0.00 41.96 39.46 1al8 s TYR 131 CO 0.13 -0.64 1.81 0.87 -1.11 0.00 0.00 175.55 176.61 1al8 h LYS 132 N -0.01 0.93 -6.17 -0.62 1.57 -1.34 -3.37 116.57 107.55 1al8 h LYS 132 Ca -0.46 -0.18 -0.57 0.00 -1.87 0.00 0.00 60.65 57.57 1al8 h LYS 132 Cb 1.24 -0.14 -0.09 0.00 0.08 0.00 0.00 32.23 33.32 1al8 h LYS 132 CO 0.60 0.81 1.08 0.34 -0.57 0.00 0.00 179.45 181.71 1al8 s ASP 133 N -6.52 6.24 0.54 0.86 2.15 -1.26 -4.85 116.67 113.83 1al8 s ASP 133 Ca -0.10 -0.74 0.26 0.00 0.43 0.00 0.00 52.55 52.40 1al8 s ASP 133 Cb 0.16 -2.54 1.42 0.00 -0.30 0.00 0.00 42.92 41.66 1al8 s ASP 133 CO 0.81 -1.71 1.99 0.03 -0.17 0.00 0.00 175.17 176.12 1al8 h ARG 134 N 9.90 0.00 -0.99 4.34 2.47 -2.01 -1.05 114.38 127.04 1al8 h ARG 134 Ca -0.18 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.62 1al8 h ARG 134 Cb 1.04 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.29 1al8 h ARG 134 CO 1.29 0.00 0.64 -0.97 0.56 0.00 0.00 179.97 181.49 1al8 h ASN 135 N 0.00 0.99 -0.18 7.04 -0.73 -1.94 -0.57 115.58 120.20 1al8 h ASN 135 Ca 0.24 0.02 -0.16 0.00 1.87 0.00 0.00 56.30 58.27 1al8 h ASN 135 Cb 1.01 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 39.40 1al8 h ASN 135 CO -0.00 0.61 -0.45 0.58 -0.37 0.00 0.00 177.43 177.80 1al8 h VAL 136 N 1.11 1.29 -0.04 2.57 2.07 -1.48 -2.54 116.25 119.24 1al8 h VAL 136 Ca 0.44 -1.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 1al8 h VAL 136 Cb 0.25 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1al8 h VAL 136 CO -0.19 0.53 0.02 0.58 0.02 0.00 0.00 177.57 178.53 1al8 h VAL 137 N 0.59 1.08 -0.68 2.57 2.07 -1.22 -1.12 116.25 119.54 1al8 h VAL 137 Ca 0.04 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.39 1al8 h VAL 137 Cb 1.01 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 1al8 h VAL 137 CO 0.10 0.06 0.40 0.00 0.02 0.00 0.00 177.57 178.14 1al8 h ALA 138 N 0.93 0.90 -0.66 1.67 0.00 -1.14 -0.84 119.26 120.13 1al8 h ALA 138 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1al8 h ALA 138 Cb 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1al8 h ALA 138 CO -0.00 0.11 0.43 1.96 0.00 0.00 0.00 179.25 181.74 1al8 h GLN 139 N 0.75 0.85 -0.39 0.00 4.20 -1.07 -1.87 115.11 117.58 1al8 h GLN 139 Ca 0.29 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.91 1al8 h GLN 139 Cb 0.13 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1al8 h GLN 139 CO -0.16 0.56 0.09 -0.07 -0.67 0.00 0.00 178.83 178.59 1al8 h LEU 140 N 0.88 0.58 -0.17 1.46 3.38 -0.51 -2.49 115.31 118.45 1al8 h LEU 140 Ca 0.24 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1al8 h LEU 140 Cb -0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1al8 h LEU 140 CO -0.06 0.66 0.06 0.58 0.09 0.00 0.00 178.44 179.77 1al8 h VAL 141 N 0.48 1.18 -0.76 1.22 2.07 -0.93 -1.66 116.25 117.84 1al8 h VAL 141 Ca 0.12 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 1al8 h VAL 141 Cb 0.31 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1al8 h VAL 141 CO 0.00 0.17 0.36 0.03 0.02 0.00 0.00 177.57 178.15 1al8 h ARG 142 N 0.10 1.10 -0.64 1.57 2.47 -1.40 -1.59 114.38 115.98 1al8 h ARG 142 Ca 0.05 -0.16 -0.00 0.00 -1.26 0.00 0.00 59.98 58.61 1al8 h ARG 142 Cb 0.21 -0.20 -0.03 0.00 -1.65 0.00 0.00 29.97 28.30 1al8 h ARG 142 CO -0.00 0.85 0.40 -0.09 0.56 0.00 0.00 179.97 181.69 1al8 h ARG 143 N 1.07 0.86 -0.29 0.04 2.43 -1.33 -0.42 114.38 116.75 1al8 h ARG 143 Ca 0.26 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 59.19 1al8 h ARG 143 Cb 0.12 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1al8 h ARG 143 CO -0.03 0.60 -0.49 0.00 -1.51 0.00 0.00 179.97 178.54 1al8 h ALA 144 N 1.55 0.46 -0.26 2.80 0.00 -0.64 -1.82 119.26 121.35 1al8 h ALA 144 Ca 0.23 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1al8 h ALA 144 Cb -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1al8 h ALA 144 CO -0.05 0.63 0.14 0.93 0.00 0.00 0.00 179.25 180.91 1al8 h GLU 145 N 0.63 0.36 -0.56 0.00 5.08 -0.75 -1.06 114.58 118.28 1al8 h GLU 145 Ca 0.02 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1al8 h GLU 145 Cb 1.10 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 1al8 h GLU 145 CO 0.11 0.32 0.31 -0.09 -1.00 0.00 0.00 179.01 178.66 1al8 h ARG 146 N 0.31 0.57 0.00 2.33 2.43 -1.04 -0.86 114.38 118.12 1al8 h ARG 146 Ca 0.09 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1al8 h ARG 146 Cb 0.06 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1al8 h ARG 146 CO -0.01 0.38 0.00 0.00 -1.51 0.00 0.00 179.97 178.82 1al8 n ALA 147 N -2.32 2.16 -0.65 2.80 0.00 -0.69 -4.86 120.51 116.95 1al8 n ALA 147 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1al8 n ALA 147 Cb 0.13 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1al8 n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1al8 n GLY 148 N 0.11 0.62 3.75 0.00 0.00 -0.33 -4.80 105.19 104.53 1al8 n GLY 148 Ca 0.13 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 1al8 n GLY 148 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1al8 s PHE 149 N -2.00 3.55 -0.64 1.61 0.40 -0.43 -4.76 117.98 115.71 1al8 s PHE 149 Ca 0.00 1.61 0.25 0.00 -0.60 0.00 0.00 56.93 58.18 1al8 s PHE 149 Cb 0.00 -3.31 0.46 0.00 0.51 0.00 0.00 43.02 40.68 1al8 s PHE 149 CO 0.00 -0.70 1.45 0.87 0.70 0.00 0.00 175.22 177.54 1al8 h LYS 150 N 4.57 0.00 -2.47 0.44 1.79 -1.50 -3.42 116.57 115.97 1al8 h LYS 150 Ca -0.45 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.10 1al8 h LYS 150 Cb 1.21 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.72 1al8 h LYS 150 CO 0.70 0.00 0.42 0.00 -1.08 0.00 0.00 179.45 179.49 1al8 s ALA 151 N -3.16 -1.75 -0.12 3.86 0.00 -1.26 -4.20 121.76 115.13 1al8 s ALA 151 Ca 0.07 0.81 -0.00 0.00 0.00 0.00 0.00 51.96 52.84 1al8 s ALA 151 Cb 0.13 0.55 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 1al8 s ALA 151 CO 0.69 -0.74 -0.12 0.42 0.00 0.00 0.00 175.76 176.01 1al8 s ILE 152 N -3.30 3.19 -0.34 0.00 -1.09 0.23 -0.83 121.20 119.05 1al8 s ILE 152 Ca 0.05 -0.62 -0.08 0.00 -2.23 0.00 0.00 60.65 57.76 1al8 s ILE 152 Cb -0.01 -2.34 0.03 0.00 -1.58 0.00 0.00 42.46 38.56 1al8 s ILE 152 CO -0.09 0.53 0.13 0.00 -1.23 0.00 0.00 174.94 174.28 1al8 s ALA 153 N 0.19 3.12 -0.37 9.38 0.00 0.31 -0.03 121.76 134.36 1al8 s ALA 153 Ca -0.07 -1.67 -0.22 0.00 0.00 0.00 0.00 51.96 49.99 1al8 s ALA 153 Cb -0.15 -2.34 0.01 0.00 0.00 0.00 0.00 23.12 20.64 1al8 s ALA 153 CO 0.05 -1.26 0.74 -1.17 0.00 0.00 0.00 175.76 174.11 1al8 s LEU 154 N 1.47 4.19 -0.12 0.00 2.96 0.42 -0.28 118.68 127.32 1al8 s LEU 154 Ca 0.00 0.22 -0.28 0.00 -0.22 0.00 0.00 54.13 53.86 1al8 s LEU 154 Cb -0.19 -2.94 -0.02 0.00 0.50 0.00 0.00 46.19 43.54 1al8 s LEU 154 CO 0.04 -0.72 0.93 -0.89 -1.32 0.00 0.00 176.35 174.39 1al8 s THR 155 N 3.01 4.84 -0.03 3.68 2.01 -1.07 -0.48 115.64 127.59 1al8 s THR 155 Ca 0.29 1.87 0.00 0.00 0.31 0.00 0.00 61.69 64.16 1al8 s THR 155 Cb -0.13 -4.24 -0.00 0.00 0.01 0.00 0.00 72.50 68.14 1al8 s THR 155 CO 0.17 0.04 0.21 1.33 -0.69 0.00 0.00 174.62 175.68 1al8 n VAL 156 N 4.53 0.00 -1.26 3.82 0.24 0.08 -4.65 118.33 121.09 1al8 n VAL 156 Ca 0.06 -0.49 -0.15 0.00 -2.04 0.00 0.00 64.34 61.72 1al8 n VAL 156 Cb 0.49 1.00 0.21 0.00 -1.47 0.00 0.00 33.84 34.07 1al8 n VAL 156 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1al8 n ASP 157 N -0.60 3.55 -4.67 -1.34 5.75 -1.24 -5.00 116.55 113.00 1al8 n ASP 157 Ca 0.00 -3.59 -0.50 0.00 -0.01 0.00 0.00 54.79 50.69 1al8 n ASP 157 Cb 0.01 -0.76 -0.05 0.00 -1.03 0.00 0.00 41.12 39.28 1al8 n ASP 157 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1al8 n THR 158 N -0.99 0.51 -1.83 2.12 -1.04 -1.26 -4.69 114.28 107.11 1al8 n THR 158 Ca 0.49 -0.11 -0.36 0.00 -2.04 0.00 0.00 64.05 62.02 1al8 n THR 158 Cb 1.44 -1.78 0.06 0.00 -1.82 0.00 0.00 70.33 68.23 1al8 n THR 158 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1al8 s PRO 159 N 4.20 2.69 0.32 -2.82 0.04 -1.26 -5.01 135.00 133.16 1al8 s PRO 159 Ca 0.95 1.91 0.03 0.00 0.04 0.00 0.00 61.00 63.93 1al8 s PRO 159 Cb -0.76 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 31.88 1al8 s PRO 159 CO 0.54 -1.45 0.49 0.50 0.04 0.00 0.00 177.00 177.12 1al8 s ARG 160 N -3.44 3.36 1.65 4.56 3.52 -1.26 -5.08 118.95 122.27 1al8 s ARG 160 Ca 0.79 -0.59 0.00 0.00 -0.13 0.00 0.00 55.73 55.80 1al8 s ARG 160 Cb -0.33 -2.74 0.00 0.00 -1.56 0.00 0.00 34.95 30.32 1al8 s ARG 160 CO 0.37 0.17 0.00 -0.11 -0.81 0.00 0.00 175.30 174.93 1al8 n LEU 161 N -1.68 0.00 0.00 -0.88 7.94 -1.26 -5.11 117.00 116.01 1al8 n LEU 161 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 1al8 n LEU 161 Cb 0.57 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.52 1al8 n LEU 161 CO 0.46 0.00 0.00 -0.38 -1.11 0.00 0.00 177.39 176.36 1al8 n ILE 168 N 0.00 0.00 -0.34 1.96 2.08 -1.26 -5.17 119.36 116.63 1al8 n ILE 168 Ca 0.00 0.00 0.09 0.00 0.56 0.00 0.00 62.75 63.40 1al8 n ILE 168 Cb 0.00 0.00 0.26 0.00 -0.75 0.00 0.00 39.64 39.15 1al8 n ILE 168 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 1al8 h LYS 169 N 0.00 0.82 -0.00 0.38 3.64 -2.02 0.27 116.57 119.66 1al8 h LYS 169 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1al8 h LYS 169 Cb 0.00 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1al8 h LYS 169 CO 0.00 0.55 -0.06 0.09 -2.27 0.00 0.00 179.45 177.76 1al8 n ASN 170 N -4.72 0.18 -0.14 4.20 5.03 -1.26 -3.50 115.26 115.06 1al8 n ASN 170 Ca 0.20 -0.27 0.03 0.00 0.87 0.00 0.00 54.58 55.41 1al8 n ASN 170 Cb 0.44 -0.20 -0.00 0.00 -1.02 0.00 0.00 39.78 38.99 1al8 n ASN 170 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1al8 n ARG 171 N -1.18 2.51 -4.17 3.52 1.74 0.68 -5.02 116.66 114.74 1al8 n ARG 171 Ca 0.14 -0.45 -0.30 0.00 -0.77 0.00 0.00 57.85 56.47 1al8 n ARG 171 Cb 0.26 -0.96 -0.09 0.00 -1.02 0.00 0.00 32.46 30.65 1al8 n ARG 171 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1al8 s PHE 172 N -1.09 2.90 -0.07 -1.55 5.36 0.23 -5.00 117.98 118.75 1al8 s PHE 172 Ca 0.05 -0.07 0.03 0.00 -0.96 0.00 0.00 56.93 55.98 1al8 s PHE 172 Cb 0.05 -1.50 0.01 0.00 -0.34 0.00 0.00 43.02 41.24 1al8 s PHE 172 CO 0.17 0.46 -0.16 0.14 -1.46 0.00 0.00 175.22 174.37 1al8 s VAL 173 N -1.27 1.42 0.40 3.12 -7.23 -1.26 -4.93 120.40 110.66 1al8 s VAL 173 Ca 0.24 -0.67 -0.18 0.00 -1.81 0.00 0.00 61.98 59.56 1al8 s VAL 173 Cb -0.11 -1.26 -0.10 0.00 0.56 0.00 0.00 36.38 35.47 1al8 s VAL 173 CO 0.16 0.42 0.88 -0.76 -0.31 0.00 0.00 175.10 175.49 1al8 s LEU 174 N 0.39 3.94 0.82 1.32 1.43 -1.26 -5.05 118.68 120.28 1al8 s LEU 174 Ca -0.12 1.54 -0.12 0.00 -1.03 0.00 0.00 54.13 54.39 1al8 s LEU 174 Cb -0.15 -4.38 0.09 0.00 0.03 0.00 0.00 46.19 41.78 1al8 s LEU 174 CO 0.04 -0.34 1.17 -2.84 0.23 0.00 0.00 176.35 174.62 1al8 s PRO 175 N -3.23 1.66 0.43 1.29 0.02 -1.26 -4.94 135.00 128.97 1al8 s PRO 175 Ca 0.59 1.60 -0.24 0.00 0.02 0.00 0.00 61.00 62.97 1al8 s PRO 175 Cb -0.09 -1.79 -0.08 0.00 0.02 0.00 0.00 34.50 32.55 1al8 s PRO 175 CO 0.17 -2.17 1.18 -1.25 -0.33 0.00 0.00 177.00 174.60 1al8 s PRO 176 N -4.35 3.90 0.00 5.54 0.04 -1.26 -3.53 135.00 135.33 1al8 s PRO 176 Ca 0.70 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.57 1al8 s PRO 176 Cb -0.25 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1al8 s PRO 176 CO 0.52 -0.45 0.00 1.19 0.04 0.00 0.00 177.00 178.30 1al8 n PHE 177 N -0.20 0.00 -2.30 0.56 3.72 -1.26 -4.98 117.46 113.00 1al8 n PHE 177 Ca 0.06 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.03 1al8 n PHE 177 Cb 0.47 -0.18 -0.02 0.00 -0.94 0.00 0.00 39.48 38.81 1al8 n PHE 177 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1al8 s LEU 178 N 0.00 3.65 0.25 4.37 1.43 -1.23 -4.98 118.68 122.17 1al8 s LEU 178 Ca 0.00 1.02 0.03 0.00 -1.03 0.00 0.00 54.13 54.15 1al8 s LEU 178 Cb 0.00 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 1al8 s LEU 178 CO 0.00 -1.39 0.04 0.42 0.23 0.00 0.00 176.35 175.65 1al8 s THR 179 N 5.40 0.87 -1.14 5.49 -4.23 -1.26 -4.99 115.64 115.79 1al8 s THR 179 Ca 0.64 -2.01 -0.18 0.00 -1.18 0.00 0.00 61.69 58.96 1al8 s THR 179 Cb -0.16 -2.47 0.11 0.00 1.34 0.00 0.00 72.50 71.32 1al8 s THR 179 CO 0.31 -0.20 1.45 -0.76 -0.54 0.00 0.00 174.62 174.88 1al8 s LEU 180 N -3.32 4.44 0.45 4.79 1.43 -1.26 -4.19 118.68 121.02 1al8 s LEU 180 Ca 0.32 -2.36 0.23 0.00 -1.03 0.00 0.00 54.13 51.29 1al8 s LEU 180 Cb 0.07 -2.48 1.23 0.00 0.03 0.00 0.00 46.19 45.04 1al8 s LEU 180 CO 0.11 -1.07 1.84 0.11 0.23 0.00 0.00 176.35 177.56 1al8 h LYS 181 N 8.11 0.26 0.00 1.70 1.79 -1.77 -1.65 116.57 125.01 1al8 h LYS 181 Ca 0.30 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 1al8 h LYS 181 Cb 0.93 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 1al8 h LYS 181 CO 1.31 0.17 0.00 -0.91 -1.08 0.00 0.00 179.45 178.94 1al8 h ASN 182 N 0.26 0.00 -0.48 0.86 2.35 -1.81 -1.33 115.58 115.44 1al8 h ASN 182 Ca 0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.25 1al8 h ASN 182 Cb 1.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.86 1al8 h ASN 182 CO -0.15 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.12 1al8 n PHE 183 N -2.90 0.62 -3.15 1.19 3.01 -0.62 -4.74 117.46 110.87 1al8 n PHE 183 Ca -0.01 -0.32 -0.42 0.00 1.01 0.00 0.00 57.45 57.71 1al8 n PHE 183 Cb 0.16 -0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.56 1al8 n PHE 183 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1al8 s GLU 184 N -1.34 3.68 0.00 -1.08 0.41 -0.50 -4.02 118.70 115.86 1al8 s GLU 184 Ca 0.41 0.01 0.00 0.00 -0.41 0.00 0.00 54.97 54.98 1al8 s GLU 184 Cb 0.23 -3.80 0.00 0.00 -1.78 0.00 0.00 34.13 28.78 1al8 s GLU 184 CO 0.32 -0.69 0.00 0.41 -0.49 0.00 0.00 175.26 174.80 1al8 n GLY 185 N 4.68 3.23 3.77 -1.39 0.00 -1.26 -5.05 105.19 109.17 1al8 n GLY 185 Ca -0.02 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.59 1al8 n GLY 185 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1al8 s ILE 186 N -0.10 3.48 -0.17 -0.61 -4.36 -1.26 -4.99 121.20 113.20 1al8 s ILE 186 Ca 0.00 1.36 -0.22 0.00 -0.26 0.00 0.00 60.65 61.53 1al8 s ILE 186 Cb 0.00 -3.81 -0.02 0.00 1.25 0.00 0.00 42.46 39.87 1al8 s ILE 186 CO 0.00 0.22 0.69 -0.62 0.24 0.00 0.00 174.94 175.47 1al8 s ASP 187 N -1.09 6.80 0.00 4.36 2.15 -1.26 -4.99 116.67 122.63 1al8 s ASP 187 Ca 0.50 0.97 0.00 0.00 0.43 0.00 0.00 52.55 54.45 1al8 s ASP 187 Cb -0.29 -2.38 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1al8 s ASP 187 CO 0.37 -0.27 0.00 0.18 -0.17 0.00 0.00 175.17 175.28 1al8 n LEU 188 N 4.87 0.00 -3.13 -1.34 4.32 -1.26 -4.74 117.00 115.73 1al8 n LEU 188 Ca -0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.69 1al8 n LEU 188 Cb 0.50 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.32 1al8 n LEU 188 CO 0.45 0.00 -1.57 0.61 -1.22 0.00 0.00 177.39 175.67 1al8 n GLY 198 N 4.63 -2.59 0.00 -0.72 0.00 -1.26 -5.20 105.19 100.05 1al8 n GLY 198 Ca 0.00 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.95 1al8 n GLY 198 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1al8 n LEU 199 N 2.73 0.00 0.02 0.99 7.94 -1.26 -3.53 117.00 123.89 1al8 n LEU 199 Ca -0.02 0.23 -0.10 0.00 -1.11 0.00 0.00 56.01 55.02 1al8 n LEU 199 Cb 0.56 -0.23 -0.03 0.00 0.53 0.00 0.00 43.42 44.25 1al8 n LEU 199 CO 0.35 -0.05 0.73 0.28 -1.11 0.00 0.00 177.39 177.59 1al8 h SER 200 N 0.00 -0.59 -2.01 1.96 0.02 -2.03 -3.41 113.55 107.49 1al8 h SER 200 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1al8 h SER 200 Cb 0.18 0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1al8 h SER 200 CO 0.00 -0.25 0.00 -1.20 -1.14 0.00 0.00 176.83 174.24 1al8 n SER 201 N -5.33 0.00 0.00 3.07 7.64 -1.23 -4.44 113.62 113.33 1al8 n SER 201 Ca -0.03 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 59.14 1al8 n SER 201 Cb 0.24 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1al8 n SER 201 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1al8 n TYR 202 N -1.19 0.00 0.32 1.43 9.36 -1.26 -4.23 117.16 121.58 1al8 n TYR 202 Ca 0.00 0.00 0.20 0.00 3.32 0.00 0.00 57.90 61.42 1al8 n TYR 202 Cb 0.00 0.00 1.09 0.00 -0.63 0.00 0.00 39.34 39.80 1al8 n TYR 202 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 1al8 h VAL 203 N 0.00 0.00 0.00 2.97 -1.51 -1.80 -3.19 116.25 112.72 1al8 h VAL 203 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1al8 h VAL 203 Cb 0.00 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 30.04 1al8 h VAL 203 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 1al8 n ALA 204 N -2.01 -0.14 -0.03 5.19 0.00 -1.26 -2.96 120.51 119.30 1al8 n ALA 204 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1al8 n ALA 204 Cb 0.11 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1al8 n ALA 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1al8 n GLY 205 N -0.72 2.26 0.02 0.00 0.00 -1.21 -3.50 105.19 102.05 1al8 n GLY 205 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1al8 n GLY 205 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1al8 n GLN 206 N 1.21 0.66 -2.06 1.61 1.13 -1.16 -4.94 117.38 113.84 1al8 n GLN 206 Ca 0.00 -0.15 -0.42 0.00 -1.94 0.00 0.00 57.00 54.49 1al8 n GLN 206 Cb 0.48 -1.45 -0.03 0.00 0.11 0.00 0.00 30.24 29.35 1al8 n GLN 206 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1al8 s ILE 207 N -3.17 3.05 -0.50 5.09 -1.09 -1.23 -0.96 121.20 122.39 1al8 s ILE 207 Ca -0.07 0.72 -0.24 0.00 -2.23 0.00 0.00 60.65 58.82 1al8 s ILE 207 Cb 0.11 -3.46 0.03 0.00 -1.58 0.00 0.00 42.46 37.57 1al8 s ILE 207 CO 0.78 0.04 0.90 -0.62 -1.23 0.00 0.00 174.94 174.81 1al8 s ASP 208 N 1.33 6.40 0.00 3.58 -1.08 -0.29 -4.75 116.67 121.86 1al8 s ASP 208 Ca 0.68 -0.17 0.16 0.00 -0.52 0.00 0.00 52.55 52.69 1al8 s ASP 208 Cb -0.39 -2.43 0.77 0.00 -1.46 0.00 0.00 42.92 39.40 1al8 s ASP 208 CO 0.31 -1.11 1.52 0.54 0.52 0.00 0.00 175.17 176.94 1al8 n ARG 209 N 7.22 1.28 -0.18 4.34 5.12 -1.26 -3.06 116.66 130.12 1al8 n ARG 209 Ca 0.03 -0.42 0.12 0.00 -1.93 0.00 0.00 57.85 55.65 1al8 n ARG 209 Cb 0.48 -1.27 0.23 0.00 -1.16 0.00 0.00 32.46 30.74 1al8 n ARG 209 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1al8 n SER 210 N -0.31 3.28 -4.65 0.55 3.41 -1.26 -4.97 113.62 109.66 1al8 n SER 210 Ca 0.12 -1.97 -0.47 0.00 -0.26 0.00 0.00 58.87 56.29 1al8 n SER 210 Cb 0.15 -0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 63.82 1al8 n SER 210 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1al8 n LEU 211 N 1.37 2.72 -4.17 1.04 0.00 -1.17 -4.98 117.00 111.81 1al8 n LEU 211 Ca 0.19 1.10 -0.15 0.00 0.00 0.00 0.00 56.01 57.15 1al8 n LEU 211 Cb 0.58 -1.37 -0.07 0.00 0.00 0.00 0.00 43.42 42.56 1al8 n LEU 211 CO 0.16 -0.51 -0.03 -0.94 0.00 0.00 0.00 177.39 176.06 1al8 s SER 212 N 0.72 0.91 0.54 1.96 1.04 -1.26 -5.03 113.70 112.58 1al8 s SER 212 Ca 0.79 -1.51 0.26 0.00 0.48 0.00 0.00 55.95 55.97 1al8 s SER 212 Cb -0.74 0.55 1.44 0.00 0.10 0.00 0.00 66.02 67.37 1al8 s SER 212 CO 0.41 -1.10 2.00 -0.50 0.98 0.00 0.00 173.24 175.04 1al8 h TRP 213 N 2.25 0.00 0.00 5.02 4.06 -2.01 0.24 115.95 125.51 1al8 h TRP 213 Ca -0.29 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.64 1al8 h TRP 213 Cb 1.24 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.40 1al8 h TRP 213 CO 1.20 0.00 -0.13 1.57 -3.56 0.00 0.00 178.44 177.52 1al8 h LYS 214 N 0.00 0.00 0.00 0.49 2.10 -1.98 -0.81 116.57 116.38 1al8 h LYS 214 Ca 0.23 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.85 1al8 h LYS 214 Cb 0.97 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.30 1al8 h LYS 214 CO -0.00 0.13 -0.13 -0.44 -2.00 0.00 0.00 179.45 177.01 1al8 h ASP 215 N 0.00 0.00 0.17 7.07 3.32 -0.91 -1.94 116.42 124.12 1al8 h ASP 215 Ca -0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 1al8 h ASP 215 Cb 0.33 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.89 1al8 h ASP 215 CO 0.02 0.13 -0.90 0.58 -1.72 0.00 0.00 179.24 177.35 1al8 h VAL 216 N 0.00 1.35 -0.58 -1.35 2.07 -1.15 -1.74 116.25 114.85 1al8 h VAL 216 Ca -0.00 -2.26 -0.08 0.00 0.82 0.00 0.00 66.70 65.18 1al8 h VAL 216 Cb 0.94 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 1al8 h VAL 216 CO 0.02 0.69 0.06 0.00 0.02 0.00 0.00 177.57 178.35 1al8 h ALA 217 N 0.67 0.77 -0.51 1.67 0.00 -1.12 -2.66 119.26 118.08 1al8 h ALA 217 Ca -0.08 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1al8 h ALA 217 Cb 1.52 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1al8 h ALA 217 CO 0.16 0.55 0.01 2.35 0.00 0.00 0.00 179.25 182.33 1al8 h TRP 218 N 0.87 0.96 -0.99 0.00 7.01 -1.32 -2.89 115.95 119.60 1al8 h TRP 218 Ca 0.17 -0.16 0.10 0.00 2.11 0.00 0.00 58.89 61.11 1al8 h TRP 218 Cb 0.47 -0.25 -0.08 0.00 -2.10 0.00 0.00 29.16 27.20 1al8 h TRP 218 CO 0.03 0.90 0.63 -0.07 -2.79 0.00 0.00 178.44 177.14 1al8 h LEU 219 N 0.75 0.95 -0.95 0.65 3.38 -1.10 -0.03 115.31 118.96 1al8 h LEU 219 Ca 0.14 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1al8 h LEU 219 Cb 0.51 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1al8 h LEU 219 CO 0.02 0.55 0.00 0.00 0.09 0.00 0.00 178.44 179.10 1al8 n GLN 220 N -4.56 0.19 0.12 1.13 6.02 -1.02 -2.00 117.38 117.26 1al8 n GLN 220 Ca 0.17 0.49 0.12 0.00 -0.01 0.00 0.00 57.00 57.77 1al8 n GLN 220 Cb 0.29 -1.92 0.08 0.00 1.02 0.00 0.00 30.24 29.72 1al8 n GLN 220 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1al8 h THR 221 N 0.00 0.00 0.00 5.09 1.35 -1.00 -3.34 112.91 115.01 1al8 h THR 221 Ca 0.00 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 1al8 h THR 221 Cb 0.27 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1al8 h THR 221 CO 0.00 0.00 -1.09 2.30 -0.25 0.00 0.00 175.52 176.48 1al8 n ILE 222 N -2.66 0.02 -3.78 6.82 -5.35 -0.85 -4.98 119.36 108.59 1al8 n ILE 222 Ca 0.02 -0.10 -0.11 0.00 -0.27 0.00 0.00 62.75 62.28 1al8 n ILE 222 Cb 0.52 0.68 -0.08 0.00 -1.74 0.00 0.00 39.64 39.02 1al8 n ILE 222 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1al8 s THR 223 N -3.10 0.09 -2.38 7.28 -1.32 -1.10 -4.87 115.64 110.23 1al8 s THR 223 Ca 0.05 -0.73 0.21 0.00 -1.21 0.00 0.00 61.69 60.01 1al8 s THR 223 Cb 0.16 -0.92 0.11 0.00 -1.51 0.00 0.00 72.50 70.34 1al8 s THR 223 CO 0.85 -0.40 1.11 -1.54 -2.21 0.00 0.00 174.62 172.43 1al8 n SER 224 N 0.62 2.49 -4.77 8.08 3.41 -1.26 -4.58 113.62 117.60 1al8 n SER 224 Ca -0.19 -1.74 -0.39 0.00 -0.26 0.00 0.00 58.87 56.29 1al8 n SER 224 Cb 0.59 0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.67 1al8 n SER 224 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1al8 s LEU 225 N -1.92 4.29 0.26 1.04 1.43 -1.26 -4.97 118.68 117.55 1al8 s LEU 225 Ca 0.22 2.44 -0.31 0.00 -1.03 0.00 0.00 54.13 55.45 1al8 s LEU 225 Cb 0.17 -3.88 -0.13 0.00 0.03 0.00 0.00 46.19 42.38 1al8 s LEU 225 CO 0.34 -0.60 1.49 -2.65 0.23 0.00 0.00 176.35 175.16 1al8 n PRO 226 N 0.37 2.34 -3.80 1.29 -0.02 -1.26 -4.72 135.00 129.19 1al8 n PRO 226 Ca 0.03 0.83 -0.36 0.00 -2.02 0.00 0.00 63.50 61.98 1al8 n PRO 226 Cb 0.45 -2.54 -0.12 0.00 -0.02 0.00 0.00 33.50 31.26 1al8 n PRO 226 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1al8 s ILE 227 N -0.04 4.37 -0.14 4.25 -1.09 -1.26 -0.60 121.20 126.69 1al8 s ILE 227 Ca 0.66 -0.16 -0.05 0.00 -2.23 0.00 0.00 60.65 58.87 1al8 s ILE 227 Cb -0.58 -3.03 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 1al8 s ILE 227 CO 0.49 0.35 0.06 -0.76 -1.23 0.00 0.00 174.94 173.85 1al8 s LEU 228 N 1.45 3.86 -0.38 2.97 1.43 0.96 0.27 118.68 129.24 1al8 s LEU 228 Ca 0.06 0.19 -0.17 0.00 -1.03 0.00 0.00 54.13 53.17 1al8 s LEU 228 Cb -0.15 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1al8 s LEU 228 CO 0.04 0.29 0.46 0.54 0.23 0.00 0.00 176.35 177.91 1al8 s VAL 229 N -0.36 5.06 -0.39 -1.59 0.11 -0.42 -0.44 120.40 122.38 1al8 s VAL 229 Ca 0.09 0.05 -0.14 0.00 -2.93 0.00 0.00 61.98 59.05 1al8 s VAL 229 Cb -0.12 -3.97 0.01 0.00 -1.53 0.00 0.00 36.38 30.78 1al8 s VAL 229 CO 0.02 -0.27 0.28 -0.75 -3.33 0.00 0.00 175.10 171.04 1al8 s LYS 230 N 2.26 3.06 0.00 1.54 2.20 0.37 -0.80 119.74 128.37 1al8 s LYS 230 Ca 0.15 -0.95 0.00 0.00 -0.36 0.00 0.00 55.97 54.81 1al8 s LYS 230 Cb -0.16 -3.93 0.00 0.00 -1.51 0.00 0.00 37.83 32.23 1al8 s LYS 230 CO 0.13 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.85 1al8 n GLY 231 N 5.14 1.18 3.75 5.54 0.00 -0.79 -0.74 105.19 119.25 1al8 n GLY 231 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 1al8 n GLY 231 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1al8 s VAL 232 N -1.18 5.32 0.00 1.61 1.01 -1.14 -4.59 120.40 121.43 1al8 s VAL 232 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1al8 s VAL 232 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1al8 s VAL 232 CO 0.00 0.42 0.36 2.30 0.00 0.00 0.00 175.10 178.19 1al8 n ILE 233 N 3.35 0.12 -4.39 2.22 -6.64 -1.26 -2.90 119.36 109.86 1al8 n ILE 233 Ca -0.13 -0.19 -0.27 0.00 -1.77 0.00 0.00 62.75 60.39 1al8 n ILE 233 Cb 0.52 1.34 -0.12 0.00 -1.44 0.00 0.00 39.64 39.93 1al8 n ILE 233 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 1al8 s THR 234 N -0.12 2.20 0.34 7.28 -4.23 -1.26 -4.88 115.64 114.97 1al8 s THR 234 Ca 0.00 -1.85 0.07 0.00 -1.18 0.00 0.00 61.69 58.73 1al8 s THR 234 Cb 0.00 -1.99 0.11 0.00 1.34 0.00 0.00 72.50 71.96 1al8 s THR 234 CO 0.00 -0.04 1.82 0.00 -0.54 0.00 0.00 174.62 175.87 1al8 h ALA 235 N 3.60 1.32 -0.15 3.99 0.00 -1.93 -2.73 119.26 123.35 1al8 h ALA 235 Ca -0.48 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.16 1al8 h ALA 235 Cb 1.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1al8 h ALA 235 CO 0.43 0.46 0.06 0.93 0.00 0.00 0.00 179.25 181.14 1al8 h GLU 236 N 0.28 0.14 0.00 0.00 3.07 -1.95 -2.18 114.58 113.94 1al8 h GLU 236 Ca 0.05 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.80 1al8 h GLU 236 Cb 0.54 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 1al8 h GLU 236 CO 0.04 0.09 -0.47 -0.44 -1.40 0.00 0.00 179.01 176.83 1al8 h ASP 237 N 0.15 0.00 -0.50 1.42 3.32 -1.98 -3.04 116.42 115.79 1al8 h ASP 237 Ca 0.06 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1al8 h ASP 237 Cb 0.02 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1al8 h ASP 237 CO -0.05 0.47 0.23 0.00 -1.72 0.00 0.00 179.24 178.16 1al8 h ALA 238 N 1.53 0.65 -0.66 3.45 0.00 -1.17 0.04 119.26 123.12 1al8 h ALA 238 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1al8 h ALA 238 Cb 1.11 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1al8 h ALA 238 CO 0.06 0.23 0.42 0.00 0.00 0.00 0.00 179.25 179.96 1al8 h ARG 239 N 0.67 0.87 -0.22 0.00 3.08 -1.35 -1.64 114.38 115.79 1al8 h ARG 239 Ca 0.17 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 1al8 h ARG 239 Cb 0.15 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1al8 h ARG 239 CO -0.02 0.60 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.36 1al8 h LEU 240 N 0.89 0.30 -0.08 3.04 3.38 -1.35 0.91 115.31 122.40 1al8 h LEU 240 Ca 0.24 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1al8 h LEU 240 Cb -0.07 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1al8 h LEU 240 CO -0.05 0.40 0.03 0.00 0.09 0.00 0.00 178.44 178.90 1al8 h ALA 241 N 1.65 0.10 0.01 1.53 0.00 -0.08 -0.33 119.26 122.14 1al8 h ALA 241 Ca 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1al8 h ALA 241 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1al8 h ALA 241 CO 0.01 -0.30 -0.00 0.28 0.00 0.00 0.00 179.25 179.24 1al8 h VAL 242 N -0.05 1.06 -0.19 0.00 2.07 -0.89 -1.41 116.25 116.84 1al8 h VAL 242 Ca 0.03 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1al8 h VAL 242 Cb 0.20 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1al8 h VAL 242 CO -0.00 0.05 0.13 1.56 0.02 0.00 0.00 177.57 179.33 1al8 h GLN 243 N -0.09 0.17 -0.47 1.57 4.20 -0.73 -1.99 115.11 117.77 1al8 h GLN 243 Ca -0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1al8 h GLN 243 Cb 0.09 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1al8 h GLN 243 CO 0.00 0.11 0.00 0.72 -0.67 0.00 0.00 178.83 178.99 1al8 n HIS 244 N -4.51 0.62 -0.85 2.96 8.25 -0.14 -4.95 115.22 116.60 1al8 n HIS 244 Ca 0.00 -0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.15 1al8 n HIS 244 Cb 0.14 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 1al8 n HIS 244 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1al8 n GLY 245 N 1.27 0.49 3.77 -1.41 0.00 -0.75 -4.74 105.19 103.81 1al8 n GLY 245 Ca 0.16 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 1al8 n GLY 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1al8 s ALA 246 N -2.00 2.89 -0.94 4.61 0.00 -0.55 -4.81 121.76 120.97 1al8 s ALA 246 Ca 0.00 0.96 0.25 0.00 0.00 0.00 0.00 51.96 53.17 1al8 s ALA 246 Cb 0.00 -3.40 0.60 0.00 0.00 0.00 0.00 23.12 20.32 1al8 s ALA 246 CO 0.00 -0.77 1.48 0.00 0.00 0.00 0.00 175.76 176.47 1al8 n ALA 247 N -0.74 3.24 -3.61 0.00 0.00 0.14 -4.74 120.51 114.81 1al8 n ALA 247 Ca 0.09 -0.29 -0.03 0.00 0.00 0.00 0.00 53.44 53.21 1al8 n ALA 247 Cb 0.48 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 1al8 n ALA 247 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1al8 s GLY 248 N -3.12 -0.35 -0.00 0.00 0.00 -1.22 -4.23 107.32 98.40 1al8 s GLY 248 Ca 0.11 1.01 0.05 0.00 0.00 0.00 0.00 44.72 45.89 1al8 s GLY 248 CO 0.68 0.30 -0.17 -0.42 0.00 0.00 0.00 173.10 173.48 1al8 s ILE 249 N -2.65 1.34 -0.30 0.90 1.01 -0.65 -1.30 121.20 119.55 1al8 s ILE 249 Ca 0.11 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 60.00 1al8 s ILE 249 Cb 0.01 -1.12 0.07 0.00 0.01 0.00 0.00 42.46 41.42 1al8 s ILE 249 CO -0.04 0.34 -0.03 -0.63 0.00 0.00 0.00 174.94 174.58 1al8 s ILE 250 N -0.46 2.45 -0.24 2.92 1.01 0.02 0.01 121.20 126.91 1al8 s ILE 250 Ca 0.06 -1.78 -0.29 0.00 0.00 0.00 0.00 60.65 58.65 1al8 s ILE 250 Cb -0.07 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 1al8 s ILE 250 CO -0.00 -0.22 1.71 -0.69 0.00 0.00 0.00 174.94 175.73 1al8 s VAL 251 N 1.09 3.57 0.06 2.92 1.01 0.15 -1.89 120.40 127.31 1al8 s VAL 251 Ca -0.02 0.63 -0.15 0.00 0.00 0.00 0.00 61.98 62.43 1al8 s VAL 251 Cb -0.20 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.58 1al8 s VAL 251 CO -0.05 -0.30 0.35 -0.55 0.00 0.00 0.00 175.10 174.55 1al8 s SER 252 N 4.92 -0.18 -0.08 3.32 0.15 -1.14 -2.36 113.70 118.33 1al8 s SER 252 Ca 0.76 -0.18 0.19 0.00 0.70 0.00 0.00 55.95 57.42 1al8 s SER 252 Cb -0.25 0.40 0.39 0.00 -1.71 0.00 0.00 66.02 64.85 1al8 s SER 252 CO 0.31 -0.68 1.18 -0.46 1.20 0.00 0.00 173.24 174.79 1al8 n ASN 253 N 0.39 1.25 -3.81 5.45 0.23 -1.26 -4.09 115.26 113.42 1al8 n ASN 253 Ca -0.18 -2.74 -0.28 0.00 -0.53 0.00 0.00 54.58 50.85 1al8 n ASN 253 Cb 0.60 -0.38 0.04 0.00 -2.08 0.00 0.00 39.78 37.96 1al8 n ASN 253 CO 0.00 0.00 0.00 1.57 -0.93 0.00 0.00 177.26 177.90 1al8 n HIS 254 N -0.21 -2.45 -2.24 -2.53 -0.00 -1.26 -0.89 115.22 105.64 1al8 n HIS 254 Ca 0.11 0.94 -0.15 0.00 -0.00 0.00 0.00 57.72 58.62 1al8 n HIS 254 Cb 0.93 -4.31 -0.01 0.00 -0.00 0.00 0.00 29.99 26.60 1al8 n HIS 254 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1al8 n GLY 255 N -1.77 -0.16 2.69 1.57 0.00 -1.26 -2.64 105.19 103.62 1al8 n GLY 255 Ca 0.01 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 1al8 n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1al8 n ALA 256 N -1.59 -0.76 0.56 4.61 0.00 -0.07 -4.78 120.51 118.48 1al8 n ALA 256 Ca -0.17 0.22 0.06 0.00 0.00 0.00 0.00 53.44 53.55 1al8 n ALA 256 Cb 0.63 -3.00 0.02 0.00 0.00 0.00 0.00 19.45 17.10 1al8 n ALA 256 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1al8 n ARG 257 N -3.39 1.46 -0.10 0.00 1.74 -1.08 -0.74 116.66 114.55 1al8 n ARG 257 Ca -0.15 -0.95 -0.18 0.00 -0.77 0.00 0.00 57.85 55.80 1al8 n ARG 257 Cb 0.64 -1.20 -0.08 0.00 -1.02 0.00 0.00 32.46 30.79 1al8 n ARG 257 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1al8 n GLN 258 N 0.21 0.54 -3.74 5.56 7.27 -1.25 -4.57 117.38 121.39 1al8 n GLN 258 Ca 0.06 0.52 -0.12 0.00 0.07 0.00 0.00 57.00 57.53 1al8 n GLN 258 Cb 0.29 -1.70 -0.12 0.00 2.41 0.00 0.00 30.24 31.13 1al8 n GLN 258 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1al8 s LEU 259 N -7.93 0.47 0.48 1.69 2.96 -1.26 -4.70 118.68 110.39 1al8 s LEU 259 Ca -0.26 0.61 -0.11 0.00 -0.22 0.00 0.00 54.13 54.15 1al8 s LEU 259 Cb 0.06 0.93 -0.06 0.00 0.50 0.00 0.00 46.19 47.62 1al8 s LEU 259 CO 0.48 -0.15 0.87 -0.62 -1.32 0.00 0.00 176.35 175.60 1al8 s ASP 260 N 0.95 6.46 -0.57 3.68 2.15 -1.26 -4.13 116.67 123.94 1al8 s ASP 260 Ca -0.06 1.25 0.00 0.00 0.43 0.00 0.00 52.55 54.17 1al8 s ASP 260 Cb -0.07 -2.38 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1al8 s ASP 260 CO -0.07 -0.55 0.00 -1.22 -0.17 0.00 0.00 175.17 173.17 1al8 n TYR 261 N -1.75 -0.05 -3.43 -5.34 4.01 -1.26 -5.00 117.16 104.33 1al8 n TYR 261 Ca 0.04 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.52 1al8 n TYR 261 Cb 0.54 -1.39 -0.02 0.00 -0.31 0.00 0.00 39.34 38.16 1al8 n TYR 261 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1al8 s VAL 262 N -2.22 5.10 0.89 -0.72 -7.23 -1.26 -5.06 120.40 109.91 1al8 s VAL 262 Ca 0.00 -0.27 -0.11 0.00 -1.81 0.00 0.00 61.98 59.78 1al8 s VAL 262 Cb 0.00 -3.79 0.13 0.00 0.56 0.00 0.00 36.38 33.28 1al8 s VAL 262 CO 0.00 -0.40 1.09 -2.16 -0.31 0.00 0.00 175.10 173.32 1al8 s PRO 263 N -3.85 1.28 0.33 4.82 0.04 -1.26 -4.72 135.00 131.64 1al8 s PRO 263 Ca 0.41 0.93 -0.29 0.00 0.04 0.00 0.00 61.00 62.09 1al8 s PRO 263 Cb -0.10 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.53 1al8 s PRO 263 CO 0.33 -2.26 1.31 0.00 0.04 0.00 0.00 177.00 176.42 1al8 s ALA 264 N -2.88 3.50 0.51 8.56 0.00 -1.26 -4.89 121.76 125.30 1al8 s ALA 264 Ca 0.64 1.26 0.21 0.00 0.00 0.00 0.00 51.96 54.07 1al8 s ALA 264 Cb -0.19 -3.48 1.29 0.00 0.00 0.00 0.00 23.12 20.75 1al8 s ALA 264 CO 0.57 -0.64 2.01 1.79 0.00 0.00 0.00 175.76 179.49 1al8 h THR 265 N 3.05 0.80 0.00 0.00 1.35 -1.86 0.14 112.91 116.40 1al8 h THR 265 Ca -0.49 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1al8 h THR 265 Cb 1.23 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1al8 h THR 265 CO 0.66 0.02 0.00 -0.29 -0.25 0.00 0.00 175.52 175.66 1al8 h ILE 266 N 0.10 0.00 0.08 6.82 6.09 -1.90 -0.49 117.51 128.21 1al8 h ILE 266 Ca 0.23 -0.65 -0.27 0.00 -1.37 0.00 0.00 64.86 62.81 1al8 h ILE 266 Cb 0.78 1.64 -0.01 0.00 0.47 0.00 0.00 36.82 39.70 1al8 h ILE 266 CO -0.02 0.00 -1.29 0.24 -3.07 0.00 0.00 178.15 174.01 1al8 h MET 267 N 0.00 0.17 0.00 2.19 2.86 -1.09 -3.33 114.93 115.73 1al8 h MET 267 Ca 0.00 -0.30 -0.05 0.00 -2.06 0.00 0.00 59.70 57.29 1al8 h MET 267 Cb 0.65 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 1al8 h MET 267 CO 0.00 1.08 -0.72 0.00 1.06 0.00 0.00 176.91 178.33 1al8 h ALA 268 N 0.70 0.70 -0.46 6.32 0.00 -1.16 -3.41 119.26 121.93 1al8 h ALA 268 Ca -0.14 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.60 1al8 h ALA 268 Cb 1.93 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.66 1al8 h ALA 268 CO 0.16 0.30 -0.34 1.25 0.00 0.00 0.00 179.25 180.63 1al8 h LEU 269 N 0.00 -1.14 -0.67 0.00 5.85 -1.21 -3.02 115.31 115.12 1al8 h LEU 269 Ca -0.03 0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.97 1al8 h LEU 269 Cb 1.19 0.54 -0.06 0.00 0.37 0.00 0.00 40.66 42.69 1al8 h LEU 269 CO 0.02 -0.32 0.34 -0.08 -0.34 0.00 0.00 178.44 178.06 1al8 h GLU 270 N -0.23 0.59 -0.65 1.25 4.81 -1.80 -0.61 114.58 117.95 1al8 h GLU 270 Ca 0.19 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1al8 h GLU 270 Cb 0.54 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1al8 h GLU 270 CO -0.59 0.39 0.29 1.05 -0.73 0.00 0.00 179.01 179.42 1al8 h GLU 271 N 0.61 0.93 -0.15 1.92 4.11 -1.84 0.31 114.58 120.47 1al8 h GLU 271 Ca 0.32 -0.13 -0.21 0.00 0.07 0.00 0.00 59.36 59.40 1al8 h GLU 271 Cb 0.28 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.36 1al8 h GLU 271 CO -0.23 0.74 -0.74 0.28 0.07 0.00 0.00 179.01 179.13 1al8 h VAL 272 N 0.92 1.30 -0.40 -1.06 2.07 -1.39 -2.21 116.25 115.49 1al8 h VAL 272 Ca 0.22 -1.97 -0.03 0.00 0.82 0.00 0.00 66.70 65.74 1al8 h VAL 272 Cb 0.13 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1al8 h VAL 272 CO -0.02 0.62 0.12 0.58 0.02 0.00 0.00 177.57 178.89 1al8 h VAL 273 N 0.50 1.22 -0.06 2.57 2.07 -0.73 -2.22 116.25 119.59 1al8 h VAL 273 Ca -0.04 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1al8 h VAL 273 Cb 1.35 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1al8 h VAL 273 CO 0.15 0.25 -0.05 0.11 0.02 0.00 0.00 177.57 178.05 1al8 h LYS 274 N 0.50 -0.05 -0.49 1.57 6.56 -0.97 -2.99 116.57 120.69 1al8 h LYS 274 Ca 0.13 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.74 1al8 h LYS 274 Cb 0.27 0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 31.91 1al8 h LYS 274 CO -0.00 -0.04 0.33 0.00 -2.06 0.00 0.00 179.45 177.68 1al8 h ALA 275 N 1.00 1.69 0.00 3.86 0.00 -1.29 -2.07 119.26 122.45 1al8 h ALA 275 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1al8 h ALA 275 Cb 0.12 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1al8 h ALA 275 CO -0.10 0.27 -0.06 0.00 0.00 0.00 0.00 179.25 179.36 1al8 h ALA 276 N 1.70 1.00 -6.34 0.00 0.00 -1.26 -3.42 119.26 110.95 1al8 h ALA 276 Ca 0.19 -0.05 -0.48 0.00 0.00 0.00 0.00 54.91 54.57 1al8 h ALA 276 Cb -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1al8 h ALA 276 CO -0.04 0.08 -0.78 1.04 0.00 0.00 0.00 179.25 179.54 1al8 n GLN 277 N -3.17 -5.07 -0.89 0.00 6.02 -0.78 -1.69 117.38 111.80 1al8 n GLN 277 Ca 0.01 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 1al8 n GLN 277 Cb 0.37 -5.35 0.00 0.00 1.02 0.00 0.00 30.24 26.28 1al8 n GLN 277 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1al8 n GLY 278 N -1.66 0.26 0.17 1.08 0.00 -1.26 -4.88 105.19 98.90 1al8 n GLY 278 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1al8 n GLY 278 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1al8 h ARG 279 N 0.64 0.52 -4.64 1.61 -0.00 -1.71 -3.46 114.38 107.35 1al8 h ARG 279 Ca 0.00 -0.23 -0.26 0.00 -0.50 0.00 0.00 59.98 58.99 1al8 h ARG 279 Cb 0.40 -0.01 -0.18 0.00 0.00 0.00 0.00 29.97 30.18 1al8 h ARG 279 CO 0.00 0.79 -0.72 0.96 0.00 0.00 0.00 179.97 181.00 1al8 s ILE 280 N -4.58 0.64 0.35 2.04 -4.36 -1.26 -5.08 121.20 108.95 1al8 s ILE 280 Ca -0.13 -1.50 -0.27 0.00 -0.26 0.00 0.00 60.65 58.49 1al8 s ILE 280 Cb 0.07 -1.14 -0.09 0.00 1.25 0.00 0.00 42.46 42.55 1al8 s ILE 280 CO 0.78 -0.61 1.16 -2.16 0.24 0.00 0.00 174.94 174.34 1al8 s PRO 281 N -2.67 4.28 -0.11 0.37 0.04 -1.26 -4.89 135.00 130.76 1al8 s PRO 281 Ca 0.01 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1al8 s PRO 281 Cb -0.03 -2.87 -0.02 0.00 0.04 0.00 0.00 34.50 31.62 1al8 s PRO 281 CO -0.02 -0.13 -0.12 0.08 0.04 0.00 0.00 177.00 176.86 1al8 s VAL 282 N -1.32 3.18 0.37 -0.36 1.01 -1.26 -1.64 120.40 120.37 1al8 s VAL 282 Ca 0.52 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.96 1al8 s VAL 282 Cb -0.32 -2.32 -0.07 0.00 0.00 0.00 0.00 36.38 33.68 1al8 s VAL 282 CO 0.40 0.54 -0.02 -0.36 0.00 0.00 0.00 175.10 175.66 1al8 s PHE 283 N 0.07 2.48 -0.00 5.22 0.08 0.10 0.01 117.98 125.93 1al8 s PHE 283 Ca -0.04 -0.54 -0.04 0.00 0.12 0.00 0.00 56.93 56.42 1al8 s PHE 283 Cb -0.14 -1.56 -0.00 0.00 -0.57 0.00 0.00 43.02 40.74 1al8 s PHE 283 CO 0.04 0.50 0.08 -1.17 -0.10 0.00 0.00 175.22 174.57 1al8 s LEU 284 N -3.68 1.77 0.13 -0.37 0.20 -1.02 0.33 118.68 116.04 1al8 s LEU 284 Ca 0.34 -0.18 -0.04 0.00 0.69 0.00 0.00 54.13 54.95 1al8 s LEU 284 Cb 0.04 0.41 -0.03 0.00 -0.43 0.00 0.00 46.19 46.18 1al8 s LEU 284 CO 0.18 -0.25 0.12 1.51 -0.29 0.00 0.00 176.35 177.62 1al8 s ASP 285 N -0.99 0.24 0.00 3.68 1.47 -1.00 -0.92 116.67 119.15 1al8 s ASP 285 Ca -0.11 -1.05 0.00 0.00 1.18 0.00 0.00 52.55 52.57 1al8 s ASP 285 Cb -0.06 0.33 0.00 0.00 -0.34 0.00 0.00 42.92 42.85 1al8 s ASP 285 CO 0.00 -0.76 0.00 0.61 0.68 0.00 0.00 175.17 175.70 1al8 n GLY 286 N -0.10 1.32 2.47 2.12 0.00 -1.26 -4.61 105.19 105.13 1al8 n GLY 286 Ca -0.08 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1al8 n GLY 286 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1al8 n GLY 287 N 0.87 0.72 3.65 -0.02 0.00 -1.26 -4.78 105.19 104.38 1al8 n GLY 287 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1al8 n GLY 287 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1al8 s VAL 288 N -2.89 4.61 0.00 1.61 1.01 -1.26 -4.62 120.40 118.86 1al8 s VAL 288 Ca 0.00 1.92 0.00 0.00 0.00 0.00 0.00 61.98 63.90 1al8 s VAL 288 Cb 0.00 -4.35 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1al8 s VAL 288 CO 0.00 -0.29 0.00 0.54 0.00 0.00 0.00 175.10 175.35 1al8 n ARG 289 N 6.53 2.51 -4.43 2.72 5.12 -1.26 -4.87 116.66 122.97 1al8 n ARG 289 Ca 0.12 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.81 1al8 n ARG 289 Cb 0.46 -0.69 -0.10 0.00 -1.16 0.00 0.00 32.46 30.97 1al8 n ARG 289 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1al8 s ARG 290 N -1.09 1.57 0.52 5.56 1.81 -1.26 -4.60 118.95 121.45 1al8 s ARG 290 Ca 0.00 -1.67 0.24 0.00 -1.72 0.00 0.00 55.73 52.58 1al8 s ARG 290 Cb 0.00 -1.65 1.40 0.00 -0.45 0.00 0.00 34.95 34.26 1al8 s ARG 290 CO 0.00 0.31 2.09 0.78 -0.68 0.00 0.00 175.30 177.81 1al8 h GLY 291 N 2.55 0.00 1.80 -3.53 0.00 -1.84 -0.38 103.07 101.66 1al8 h GLY 291 Ca -0.41 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.80 1al8 h GLY 291 CO 0.58 0.00 -0.47 -0.91 0.00 0.00 0.00 176.54 175.73 1al8 h THR 292 N 0.00 1.34 -0.52 4.70 1.35 -1.92 -2.44 112.91 115.42 1al8 h THR 292 Ca -0.00 -1.67 -0.12 0.00 -0.55 0.00 0.00 66.41 64.07 1al8 h THR 292 Cb 0.25 1.79 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 1al8 h THR 292 CO 0.01 0.50 -0.13 0.44 -0.25 0.00 0.00 175.52 176.09 1al8 h ASP 293 N 0.18 0.99 -0.05 5.36 3.32 -1.46 -1.44 116.42 123.31 1al8 h ASP 293 Ca 0.01 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.72 1al8 h ASP 293 Cb 0.91 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 1al8 h ASP 293 CO 0.07 1.12 0.02 0.58 -1.72 0.00 0.00 179.24 179.31 1al8 h VAL 294 N 0.88 1.13 -0.20 -1.35 2.07 -1.31 -1.46 116.25 116.00 1al8 h VAL 294 Ca 0.13 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.30 1al8 h VAL 294 Cb 0.69 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 1al8 h VAL 294 CO 0.05 0.11 -0.04 0.15 0.02 0.00 0.00 177.57 177.86 1al8 h PHE 295 N -0.06 -0.09 -0.93 1.57 3.04 -1.31 -1.28 116.94 117.88 1al8 h PHE 295 Ca 0.02 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.02 1al8 h PHE 295 Cb 0.16 0.07 -0.05 0.00 2.56 0.00 0.00 35.95 38.68 1al8 h PHE 295 CO -0.02 -0.08 0.61 0.87 -2.02 0.00 0.00 178.31 177.67 1al8 h LYS 296 N 0.01 1.12 -0.34 1.11 1.57 -1.13 0.32 116.57 119.23 1al8 h LYS 296 Ca 0.10 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 1al8 h LYS 296 Cb 0.14 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1al8 h LYS 296 CO -0.20 0.74 -0.07 0.00 -0.57 0.00 0.00 179.45 179.36 1al8 h ALA 297 N 1.46 0.47 -0.62 3.86 0.00 -0.61 -2.52 119.26 121.29 1al8 h ALA 297 Ca 0.37 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1al8 h ALA 297 Cb 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1al8 h ALA 297 CO -0.11 0.29 0.18 -0.07 0.00 0.00 0.00 179.25 179.54 1al8 h LEU 298 N 0.44 0.89 -1.58 0.00 4.07 -0.68 -2.09 115.31 116.36 1al8 h LEU 298 Ca 0.09 -0.16 -0.05 0.00 0.08 0.00 0.00 57.88 57.85 1al8 h LEU 298 Cb 0.56 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 1al8 h LEU 298 CO 0.03 0.84 -0.23 0.00 -1.08 0.00 0.00 178.44 178.01 1al8 h ALA 299 N 1.28 1.41 -0.01 1.53 0.00 -0.80 -1.48 119.26 121.19 1al8 h ALA 299 Ca 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1al8 h ALA 299 Cb 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1al8 h ALA 299 CO -0.01 0.28 -0.06 1.28 0.00 0.00 0.00 179.25 180.75 1al8 n LEU 300 N -3.96 0.68 0.00 0.00 4.32 -0.84 -3.13 117.00 114.07 1al8 n LEU 300 Ca -0.02 -0.15 0.00 0.00 -0.02 0.00 0.00 56.01 55.82 1al8 n LEU 300 Cb 0.31 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.02 1al8 n LEU 300 CO 0.35 0.12 0.00 0.61 -1.22 0.00 0.00 177.39 177.25 1al8 n GLY 301 N 1.18 1.44 3.76 -0.72 0.00 -0.56 -4.44 105.19 105.86 1al8 n GLY 301 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1al8 n GLY 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1al8 s ALA 302 N -2.04 3.04 -0.98 4.61 0.00 -0.85 -4.71 121.76 120.83 1al8 s ALA 302 Ca 0.00 1.17 0.25 0.00 0.00 0.00 0.00 51.96 53.38 1al8 s ALA 302 Cb 0.00 -3.48 0.56 0.00 0.00 0.00 0.00 23.12 20.20 1al8 s ALA 302 CO 0.00 -0.93 1.45 0.00 0.00 0.00 0.00 175.76 176.28 1al8 n ALA 303 N -0.40 3.41 0.00 0.00 0.00 0.10 -4.34 120.51 119.28 1al8 n ALA 303 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1al8 n ALA 303 Cb 0.45 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1al8 n ALA 303 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1al8 n GLY 304 N 1.49 0.96 3.22 0.00 0.00 -1.26 -4.90 105.19 104.70 1al8 n GLY 304 Ca 0.05 -0.93 -0.17 0.00 0.00 0.00 0.00 46.02 44.97 1al8 n GLY 304 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1al8 s VAL 305 N -2.00 1.21 0.03 1.61 -7.23 -0.02 -2.44 120.40 111.56 1al8 s VAL 305 Ca 0.00 -1.68 0.08 0.00 -1.81 0.00 0.00 61.98 58.57 1al8 s VAL 305 Cb 0.00 -1.46 -0.03 0.00 0.56 0.00 0.00 36.38 35.45 1al8 s VAL 305 CO 0.00 -0.45 -0.21 -0.36 -0.31 0.00 0.00 175.10 173.77 1al8 s PHE 306 N -2.18 2.48 -0.08 2.82 0.08 -0.10 -0.46 117.98 120.54 1al8 s PHE 306 Ca 0.07 -0.31 0.03 0.00 0.12 0.00 0.00 56.93 56.84 1al8 s PHE 306 Cb -0.05 -1.46 -0.02 0.00 -0.57 0.00 0.00 43.02 40.93 1al8 s PHE 306 CO 0.02 0.18 -0.17 0.96 -0.10 0.00 0.00 175.22 176.11 1al8 s ILE 307 N -0.84 2.77 0.00 0.64 -4.36 -0.57 -4.35 121.20 114.50 1al8 s ILE 307 Ca 0.13 -0.80 0.00 0.00 -0.26 0.00 0.00 60.65 59.72 1al8 s ILE 307 Cb -0.10 -2.09 0.00 0.00 1.25 0.00 0.00 42.46 41.52 1al8 s ILE 307 CO 0.03 0.56 0.00 0.61 0.24 0.00 0.00 174.94 176.39 1al8 n GLY 308 N 2.88 -0.15 0.31 6.27 0.00 -1.26 -1.02 105.19 112.22 1al8 n GLY 308 Ca -0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.98 1al8 n GLY 308 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1al8 h ARG 309 N 0.00 0.34 -0.73 1.61 3.08 -1.96 -1.17 114.38 115.55 1al8 h ARG 309 Ca 0.00 -0.02 0.16 0.00 0.07 0.00 0.00 59.98 60.19 1al8 h ARG 309 Cb 0.00 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 1al8 h ARG 309 CO 0.00 0.23 0.50 -1.35 -1.07 0.00 0.00 179.97 178.27 1al8 h PRO 310 N 0.35 0.29 -0.05 0.04 0.11 -1.91 -1.16 132.00 129.67 1al8 h PRO 310 Ca 0.57 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.66 1al8 h PRO 310 Cb 1.12 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1al8 h PRO 310 CO -0.56 0.19 0.02 0.28 -0.21 0.00 0.00 178.00 177.73 1al8 h VAL 311 N 0.30 1.13 -0.18 3.15 2.07 -1.51 -1.28 116.25 119.93 1al8 h VAL 311 Ca 0.36 -0.38 -0.14 0.00 0.82 0.00 0.00 66.70 67.36 1al8 h VAL 311 Cb 0.97 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1al8 h VAL 311 CO -0.09 0.11 -0.48 -0.37 0.02 0.00 0.00 177.57 176.76 1al8 h VAL 312 N -0.07 1.32 -0.17 2.57 -1.51 -1.37 -1.92 116.25 115.11 1al8 h VAL 312 Ca 0.02 -1.69 -0.04 0.00 -1.23 0.00 0.00 66.70 63.76 1al8 h VAL 312 Cb 0.15 1.70 -0.00 0.00 -2.13 0.00 0.00 31.29 31.01 1al8 h VAL 312 CO -0.00 0.52 -0.05 -0.26 -1.23 0.00 0.00 177.57 176.55 1al8 h PHE 313 N 0.38 0.37 -0.08 5.19 0.04 -1.19 -1.48 116.94 120.16 1al8 h PHE 313 Ca 0.02 -0.08 -0.10 0.00 2.80 0.00 0.00 57.97 60.60 1al8 h PHE 313 Cb 0.98 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.03 1al8 h PHE 313 CO 0.03 0.61 -0.42 0.66 -0.60 0.00 0.00 178.31 178.59 1al8 h SER 314 N 0.03 0.20 -0.46 2.17 4.64 -1.25 -1.31 113.55 117.57 1al8 h SER 314 Ca 0.04 -0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 1al8 h SER 314 Cb 0.50 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 1al8 h SER 314 CO 0.02 0.60 0.02 0.25 -0.87 0.00 0.00 176.83 176.85 1al8 h LEU 315 N 0.16 0.77 -0.72 5.97 5.85 -1.27 0.24 115.31 126.30 1al8 h LEU 315 Ca 0.01 -0.29 -0.09 0.00 0.84 0.00 0.00 57.88 58.35 1al8 h LEU 315 Cb 0.82 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1al8 h LEU 315 CO 0.06 0.87 0.01 0.00 -0.34 0.00 0.00 178.44 179.04 1al8 h ALA 316 N 0.92 0.93 0.29 1.25 0.00 -1.04 -0.51 119.26 121.11 1al8 h ALA 316 Ca 0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1al8 h ALA 316 Cb 0.46 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1al8 h ALA 316 CO 0.02 0.64 -0.14 0.00 0.00 0.00 0.00 179.25 179.77 1al8 h ALA 317 N 1.09 -0.57 0.00 0.00 0.00 -0.91 -3.42 119.26 115.45 1al8 h ALA 317 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1al8 h ALA 317 Cb 0.52 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1al8 h ALA 317 CO 0.03 -0.54 -0.12 0.39 0.00 0.00 0.00 179.25 179.00 1al8 n GLU 318 N -3.97 1.17 0.00 0.00 1.02 0.80 -5.01 120.64 114.65 1al8 n GLU 318 Ca -0.05 -1.80 0.00 0.00 -0.02 0.00 0.00 57.16 55.29 1al8 n GLU 318 Cb 0.16 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 1al8 n GLU 318 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1al8 n GLY 319 N -0.78 2.52 0.34 0.62 0.00 -0.20 -2.74 105.19 104.95 1al8 n GLY 319 Ca 0.08 -0.45 0.06 0.00 0.00 0.00 0.00 46.02 45.71 1al8 n GLY 319 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1al8 h GLU 320 N 0.00 0.67 -0.36 1.61 4.81 -1.86 -0.74 114.58 118.71 1al8 h GLU 320 Ca 0.00 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 1al8 h GLU 320 Cb 0.00 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1al8 h GLU 320 CO 0.00 0.44 -0.12 0.00 -0.73 0.00 0.00 179.01 178.61 1al8 h ALA 321 N 1.64 1.13 -0.25 2.92 0.00 -1.88 -1.44 119.26 121.38 1al8 h ALA 321 Ca 0.28 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1al8 h ALA 321 Cb 0.22 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1al8 h ALA 321 CO -0.08 0.54 -0.28 0.78 0.00 0.00 0.00 179.25 180.21 1al8 h GLY 322 N 0.96 0.70 0.98 0.00 0.00 -1.07 -1.90 103.07 102.75 1al8 h GLY 322 Ca 0.10 -0.73 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 1al8 h GLY 322 CO 0.03 0.66 0.17 -2.08 0.00 0.00 0.00 176.54 175.33 1al8 h VAL 323 N 0.36 1.23 -0.52 4.60 2.07 -1.20 -1.50 116.25 121.30 1al8 h VAL 323 Ca 0.04 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 1al8 h VAL 323 Cb 0.85 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1al8 h VAL 323 CO 0.07 0.29 0.14 0.11 0.02 0.00 0.00 177.57 178.19 1al8 h LYS 324 N 0.73 0.79 -0.56 1.57 1.57 -1.25 -2.51 116.57 116.91 1al8 h LYS 324 Ca 0.17 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1al8 h LYS 324 Cb 0.27 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1al8 h LYS 324 CO -0.01 0.70 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.26 1al8 h LYS 325 N 0.76 1.04 0.03 3.15 3.64 -0.99 -1.28 116.57 122.92 1al8 h LYS 325 Ca 0.17 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1al8 h LYS 325 Cb 0.27 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1al8 h LYS 325 CO -0.00 1.07 -0.04 0.28 -2.27 0.00 0.00 179.45 178.48 1al8 h VAL 326 N 0.93 0.90 -0.90 2.00 2.07 -0.96 0.95 116.25 121.23 1al8 h VAL 326 Ca 0.15 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.67 1al8 h VAL 326 Cb 0.66 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1al8 h VAL 326 CO 0.05 0.00 0.59 -0.07 0.02 0.00 0.00 177.57 178.15 1al8 h LEU 327 N -0.09 1.04 -0.09 2.57 3.38 -1.36 -0.93 115.31 119.83 1al8 h LEU 327 Ca 0.01 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1al8 h LEU 327 Cb 0.10 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1al8 h LEU 327 CO -0.02 0.76 -0.06 -0.61 0.09 0.00 0.00 178.44 178.60 1al8 h GLN 328 N 1.23 0.21 -0.54 1.13 5.75 -0.90 -1.33 115.11 120.66 1al8 h GLN 328 Ca 0.33 -0.10 0.05 0.00 -0.15 0.00 0.00 58.65 58.78 1al8 h GLN 328 Cb -0.13 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.37 1al8 h GLN 328 CO -0.07 0.59 0.28 0.52 -2.65 0.00 0.00 178.83 177.50 1al8 h MET 329 N -0.18 0.52 -0.76 1.69 2.86 -0.53 -0.23 114.93 118.30 1al8 h MET 329 Ca 0.02 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 1al8 h MET 329 Cb 0.53 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 1al8 h MET 329 CO 0.02 0.34 0.27 0.52 1.06 0.00 0.00 176.91 179.12 1al8 h MET 330 N 0.53 1.16 -0.09 1.72 2.86 -1.14 -1.30 114.93 118.67 1al8 h MET 330 Ca 0.24 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1al8 h MET 330 Cb 0.15 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 1al8 h MET 330 CO -0.17 0.96 0.04 -0.09 1.06 0.00 0.00 176.91 178.71 1al8 h ARG 331 N 1.12 0.13 -0.58 1.72 2.43 -0.52 -0.29 114.38 118.39 1al8 h ARG 331 Ca 0.25 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.34 1al8 h ARG 331 Cb 0.26 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1al8 h ARG 331 CO -0.01 0.23 0.14 -0.44 -1.51 0.00 0.00 179.97 178.37 1al8 h ASP 332 N 0.01 0.85 -0.27 -3.80 3.32 -0.94 0.20 116.42 115.78 1al8 h ASP 332 Ca 0.03 -0.16 -0.13 0.00 0.02 0.00 0.00 57.03 56.79 1al8 h ASP 332 Cb 0.14 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 1al8 h ASP 332 CO -0.00 0.83 -0.33 -0.33 -1.72 0.00 0.00 179.24 177.69 1al8 h GLU 333 N 0.87 0.70 -0.77 3.56 5.08 -1.14 -2.18 114.58 120.70 1al8 h GLU 333 Ca 0.19 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 1al8 h GLU 333 Cb 0.32 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1al8 h GLU 333 CO 0.00 1.01 0.27 0.35 -1.00 0.00 0.00 179.01 179.65 1al8 h PHE 334 N 0.44 1.21 -0.48 4.33 3.57 -0.81 -1.42 116.94 123.79 1al8 h PHE 334 Ca 0.04 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.39 1al8 h PHE 334 Cb 0.91 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1al8 h PHE 334 CO 0.08 0.93 0.15 1.49 -2.23 0.00 0.00 178.31 178.73 1al8 h GLU 335 N 1.13 0.74 -0.46 1.11 4.81 -0.93 -1.97 114.58 119.01 1al8 h GLU 335 Ca 0.25 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 1al8 h GLU 335 Cb 0.27 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1al8 h GLU 335 CO -0.01 0.70 -0.05 1.25 -0.73 0.00 0.00 179.01 180.16 1al8 h LEU 336 N 0.63 0.78 -0.83 1.64 5.85 -1.18 -2.00 115.31 120.21 1al8 h LEU 336 Ca 0.15 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 1al8 h LEU 336 Cb 0.27 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1al8 h LEU 336 CO -0.00 0.88 0.24 0.74 -0.34 0.00 0.00 178.44 179.95 1al8 h THR 337 N 0.74 1.26 -0.24 1.05 2.02 -1.02 -0.68 112.91 116.03 1al8 h THR 337 Ca 0.13 -0.87 -0.04 0.00 0.77 0.00 0.00 66.41 66.41 1al8 h THR 337 Cb 0.52 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1al8 h THR 337 CO 0.03 0.34 0.01 0.24 0.37 0.00 0.00 175.52 176.51 1al8 h MET 338 N 1.07 0.41 -0.61 6.66 2.86 -1.15 -1.47 114.93 122.70 1al8 h MET 338 Ca 0.24 -0.13 0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1al8 h MET 338 Cb 0.28 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 1al8 h MET 338 CO -0.01 0.58 0.39 0.00 1.06 0.00 0.00 176.91 178.93 1al8 h ALA 339 N 0.82 0.79 0.00 6.32 0.00 -1.11 0.57 119.26 126.65 1al8 h ALA 339 Ca 0.07 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1al8 h ALA 339 Cb 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1al8 h ALA 339 CO 0.01 0.17 -0.22 -0.07 0.00 0.00 0.00 179.25 179.14 1al8 h LEU 340 N 0.79 0.00 0.00 0.00 3.38 -1.06 -2.97 115.31 115.45 1al8 h LEU 340 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1al8 h LEU 340 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1al8 h LEU 340 CO -0.07 0.22 -0.57 -1.20 0.09 0.00 0.00 178.44 176.91 1al8 n SER 341 N -3.36 0.55 -0.00 -0.43 7.64 -0.56 -4.56 113.62 112.90 1al8 n SER 341 Ca 0.00 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1al8 n SER 341 Cb 0.44 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 1al8 n SER 341 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1al8 n GLY 342 N 1.45 1.20 3.25 0.23 0.00 -0.63 -1.99 105.19 108.71 1al8 n GLY 342 Ca 0.05 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 1al8 n GLY 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1al8 n ARG 344 N 4.29 0.28 -3.84 0.00 1.74 -1.26 -4.11 116.66 113.77 1al8 n ARG 344 Ca -0.19 -0.05 -0.10 0.00 -0.77 0.00 0.00 57.85 56.74 1al8 n ARG 344 Cb 0.51 -1.54 -0.06 0.00 -1.02 0.00 0.00 32.46 30.35 1al8 n ARG 344 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1al8 s SER 345 N -3.76 -0.07 0.37 0.55 1.04 -1.26 -0.23 113.70 110.34 1al8 s SER 345 Ca 0.02 -0.66 0.07 0.00 0.48 0.00 0.00 55.95 55.86 1al8 s SER 345 Cb 0.15 0.47 0.74 0.00 0.10 0.00 0.00 66.02 67.48 1al8 s SER 345 CO 0.85 -0.92 1.95 -0.07 0.98 0.00 0.00 173.24 176.03 1al8 h LEU 346 N 2.44 0.41 -2.30 2.42 3.38 -1.87 -1.98 115.31 117.80 1al8 h LEU 346 Ca -0.31 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1al8 h LEU 346 Cb 1.24 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1al8 h LEU 346 CO 0.46 0.44 -0.04 0.50 0.09 0.00 0.00 178.44 179.89 1al8 h LYS 347 N 0.44 0.00 -0.01 1.13 3.11 -1.96 -1.84 116.57 117.44 1al8 h LYS 347 Ca 0.10 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.94 1al8 h LYS 347 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.45 1al8 h LYS 347 CO 0.00 0.04 -0.21 0.39 -2.81 0.00 0.00 179.45 176.85 1al8 n GLU 348 N -3.82 0.83 -2.63 1.90 1.02 -0.75 -4.80 120.64 112.39 1al8 n GLU 348 Ca -0.03 -0.45 -0.43 0.00 -0.02 0.00 0.00 57.16 56.23 1al8 n GLU 348 Cb 0.12 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.03 1al8 n GLU 348 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1al8 s ILE 349 N -2.48 4.34 0.28 -3.67 1.01 -0.69 -4.87 121.20 115.11 1al8 s ILE 349 Ca 0.26 1.39 0.09 0.00 0.00 0.00 0.00 60.65 62.39 1al8 s ILE 349 Cb 0.19 -4.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 1al8 s ILE 349 CO 0.50 -0.79 0.05 -0.94 0.00 0.00 0.00 174.94 173.76 1al8 s SER 350 N 2.14 4.70 0.55 3.58 1.04 -1.26 -4.73 113.70 119.72 1al8 s SER 350 Ca 0.46 -0.62 0.23 0.00 0.48 0.00 0.00 55.95 56.51 1al8 s SER 350 Cb -0.09 -0.90 1.50 0.00 0.10 0.00 0.00 66.02 66.63 1al8 s SER 350 CO 0.25 -0.06 2.14 -0.09 0.98 0.00 0.00 173.24 176.46 1al8 h ARG 351 N 1.77 0.00 -0.00 4.02 9.65 -1.90 0.23 114.38 128.15 1al8 h ARG 351 Ca -0.45 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 1al8 h ARG 351 Cb 1.25 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 1al8 h ARG 351 CO 0.61 0.00 -0.00 -1.13 2.80 0.00 0.00 179.97 182.25 1al8 n SER 352 N -4.19 0.06 -0.14 -3.80 3.41 -1.26 -3.31 113.62 104.38 1al8 n SER 352 Ca 0.00 -0.74 0.15 0.00 -0.26 0.00 0.00 58.87 58.01 1al8 n SER 352 Cb 0.22 -0.09 0.69 0.00 -0.26 0.00 0.00 64.21 64.78 1al8 n SER 352 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1al8 n HIS 353 N -1.05 0.00 -4.22 7.33 8.25 0.80 -4.72 115.22 121.61 1al8 n HIS 353 Ca 0.21 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.54 1al8 n HIS 353 Cb 0.16 -0.11 -0.10 0.00 1.12 0.00 0.00 29.99 31.06 1al8 n HIS 353 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1al8 s ILE 354 N -2.27 0.43 -0.34 1.59 -4.36 -1.21 -1.48 121.20 113.56 1al8 s ILE 354 Ca 0.35 -1.96 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 1al8 s ILE 354 Cb 0.21 -2.20 0.11 0.00 1.25 0.00 0.00 42.46 41.83 1al8 s ILE 354 CO 0.42 -0.37 0.13 0.00 0.24 0.00 0.00 174.94 175.37 1al8 s ALA 355 N -3.83 1.69 0.71 2.27 0.00 0.96 -4.79 121.76 118.77 1al8 s ALA 355 Ca 0.27 -1.92 -0.14 0.00 0.00 0.00 0.00 51.96 50.17 1al8 s ALA 355 Cb 0.07 -1.69 0.03 0.00 0.00 0.00 0.00 23.12 21.52 1al8 s ALA 355 CO 0.05 -1.78 1.14 0.00 0.00 0.00 0.00 175.76 175.17 1al8 s ALA 356 N 1.28 2.26 0.57 0.00 0.00 -1.26 -1.36 121.76 123.25 1al8 s ALA 356 Ca 0.12 0.63 0.31 0.00 0.00 0.00 0.00 51.96 53.02 1al8 s ALA 356 Cb -0.19 -3.37 1.42 0.00 0.00 0.00 0.00 23.12 20.98 1al8 s ALA 356 CO -0.17 -1.62 1.78 0.22 0.00 0.00 0.00 175.76 175.96 1al8 h ASP 357 N -0.32 0.00 -0.62 0.00 3.58 -1.86 0.52 116.42 117.72 1al8 h ASP 357 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 1al8 h ASP 357 Cb 1.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.31 1al8 h ASP 357 CO 0.51 0.00 0.00 -2.67 -2.88 0.00 0.00 179.24 174.20 1al8 n TRP 358 N -3.83 1.52 0.65 0.28 2.14 -1.26 -5.12 117.44 111.82 1al8 n TRP 358 Ca 0.17 -0.59 0.08 0.00 2.07 0.00 0.00 57.50 59.22 1al8 n TRP 358 Cb 0.99 -0.27 0.06 0.00 -0.81 0.00 0.00 31.31 31.29 1al8 n TRP 358 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51