#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1av8 s TYR 2 N 0.00 3.24 0.00 0.00 5.04 -1.26 -4.93 117.35 119.44 1av8 s TYR 2 Ca 0.00 0.05 0.04 0.00 -2.44 0.00 0.00 57.07 54.72 1av8 s TYR 2 Cb 0.00 -2.09 -0.01 0.00 0.35 0.00 0.00 41.96 40.21 1av8 s TYR 2 CO 0.00 0.12 -0.13 -0.08 -1.34 0.00 0.00 175.55 174.13 1av8 s THR 3 N 0.44 0.99 -0.39 4.34 -1.32 -1.26 -5.02 115.64 113.43 1av8 s THR 3 Ca 0.03 -0.63 0.25 0.00 -1.21 0.00 0.00 61.69 60.13 1av8 s THR 3 Cb -0.13 -0.85 0.27 0.00 -1.51 0.00 0.00 72.50 70.29 1av8 s THR 3 CO 0.01 0.21 1.76 0.74 -2.21 0.00 0.00 174.62 175.12 1av8 h THR 4 N 4.76 0.00 -0.93 5.08 2.02 -1.98 -3.39 112.91 118.47 1av8 h THR 4 Ca -0.34 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1av8 h THR 4 Cb 1.17 1.05 -0.20 0.00 -1.74 0.00 0.00 68.15 68.43 1av8 h THR 4 CO 0.48 0.00 -0.38 0.12 0.37 0.00 0.00 175.52 176.11 1av8 s PHE 5 N -3.37 -1.67 -0.07 3.16 2.19 -1.26 -4.90 117.98 112.05 1av8 s PHE 5 Ca 0.04 0.64 -0.30 0.00 0.33 0.00 0.00 56.93 57.64 1av8 s PHE 5 Cb 0.09 0.30 -0.06 0.00 -1.31 0.00 0.00 43.02 42.04 1av8 s PHE 5 CO 0.42 -1.05 1.71 -1.54 1.83 0.00 0.00 175.22 176.59 1av8 s SER 6 N 2.36 6.55 0.23 6.13 1.04 -1.26 -4.87 113.70 123.88 1av8 s SER 6 Ca 0.14 2.21 0.23 0.00 0.48 0.00 0.00 55.95 59.00 1av8 s SER 6 Cb -0.06 -2.53 0.94 0.00 0.10 0.00 0.00 66.02 64.46 1av8 s SER 6 CO -0.17 -1.02 1.69 0.00 0.98 0.00 0.00 173.24 174.71 1av8 n GLN 7 N 7.32 0.18 -3.01 4.02 6.02 -1.26 -4.71 117.38 125.93 1av8 n GLN 7 Ca 0.18 0.39 -0.40 0.00 -0.01 0.00 0.00 57.00 57.17 1av8 n GLN 7 Cb 0.43 -1.83 -0.05 0.00 1.02 0.00 0.00 30.24 29.82 1av8 n GLN 7 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1av8 s THR 8 N -3.27 5.01 -0.45 5.09 -1.32 -1.26 -5.02 115.64 114.42 1av8 s THR 8 Ca 0.05 1.49 -0.29 0.00 -1.21 0.00 0.00 61.69 61.73 1av8 s THR 8 Cb 0.09 -4.06 0.02 0.00 -1.51 0.00 0.00 72.50 67.04 1av8 s THR 8 CO 0.39 0.20 1.32 -0.75 -2.21 0.00 0.00 174.62 173.57 1av8 s LYS 9 N 1.12 3.60 0.23 7.08 2.20 -1.26 -5.01 119.74 127.70 1av8 s LYS 9 Ca 0.38 0.77 0.10 0.00 -0.36 0.00 0.00 55.97 56.85 1av8 s LYS 9 Cb -0.18 -4.00 -0.04 0.00 -1.51 0.00 0.00 37.83 32.10 1av8 s LYS 9 CO 0.17 -1.54 -0.09 0.54 -0.36 0.00 0.00 175.35 174.06 1av8 s ASN 10 N 3.50 4.17 -0.55 1.43 6.03 -1.26 -5.07 114.94 123.19 1av8 s ASN 10 Ca 0.56 -0.71 -0.23 0.00 -1.03 0.00 0.00 52.86 51.45 1av8 s ASN 10 Cb -0.11 -0.65 0.04 0.00 -3.03 0.00 0.00 41.25 37.50 1av8 s ASN 10 CO 0.32 0.06 0.90 -0.62 -2.03 0.00 0.00 177.10 175.73 1av8 s ASP 11 N -3.24 6.32 0.63 3.54 2.15 -1.26 -4.90 116.67 119.91 1av8 s ASP 11 Ca 0.28 -0.44 0.39 0.00 0.43 0.00 0.00 52.55 53.21 1av8 s ASP 11 Cb -0.07 -2.42 2.12 0.00 -0.30 0.00 0.00 42.92 42.25 1av8 s ASP 11 CO 0.16 -1.19 2.29 1.56 -0.17 0.00 0.00 175.17 177.83 1av8 h GLN 12 N 9.28 0.00 0.00 4.34 4.20 -1.97 -1.75 115.11 129.20 1av8 h GLN 12 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1av8 h GLN 12 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1av8 h GLN 12 CO 1.07 0.01 0.00 1.28 -0.67 0.00 0.00 178.83 180.53 1av8 n LEU 13 N -3.31 0.00 -0.06 1.46 4.77 -1.26 -3.20 117.00 115.41 1av8 n LEU 13 Ca -0.03 0.41 0.07 0.00 -0.03 0.00 0.00 56.01 56.43 1av8 n LEU 13 Cb 0.11 -0.41 -0.07 0.00 -2.33 0.00 0.00 43.42 40.73 1av8 n LEU 13 CO 0.23 -0.06 0.01 0.29 -1.33 0.00 0.00 177.39 176.54 1av8 n LYS 14 N -1.41 2.26 -2.03 3.23 4.76 -0.66 -4.88 118.16 119.43 1av8 n LYS 14 Ca 0.09 -0.13 -0.32 0.00 -2.87 0.00 0.00 58.31 55.08 1av8 n LYS 14 Cb 0.25 -1.18 0.01 0.00 -1.84 0.00 0.00 35.03 32.27 1av8 n LYS 14 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1av8 s GLU 15 N -2.24 3.47 0.88 1.97 0.41 -1.19 -5.06 118.70 116.94 1av8 s GLU 15 Ca 0.06 1.01 -0.14 0.00 -0.41 0.00 0.00 54.97 55.50 1av8 s GLU 15 Cb 0.11 -2.06 0.14 0.00 -1.78 0.00 0.00 34.13 30.54 1av8 s GLU 15 CO 0.54 -0.67 1.25 -1.25 -0.49 0.00 0.00 175.26 174.64 1av8 s PRO 16 N -4.43 1.30 0.11 0.39 0.04 -1.26 -4.97 135.00 126.18 1av8 s PRO 16 Ca 0.60 -0.17 -0.16 0.00 0.04 0.00 0.00 61.00 61.31 1av8 s PRO 16 Cb -0.13 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1av8 s PRO 16 CO 0.41 -2.00 1.52 0.52 0.04 0.00 0.00 177.00 177.49 1av8 h MET 17 N -1.34 0.63 -6.05 4.56 2.86 -1.94 -3.39 114.93 110.26 1av8 h MET 17 Ca -0.45 -0.23 -0.56 0.00 -2.06 0.00 0.00 59.70 56.40 1av8 h MET 17 Cb 1.28 -0.04 -0.15 0.00 0.06 0.00 0.00 31.60 32.75 1av8 h MET 17 CO 0.52 0.79 -0.76 -0.06 1.06 0.00 0.00 176.91 178.45 1av8 s PHE 18 N -4.83 2.07 0.00 -0.22 0.08 -1.26 -0.90 117.98 112.92 1av8 s PHE 18 Ca -0.13 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 56.50 1av8 s PHE 18 Cb 0.09 -0.95 0.00 0.00 -0.57 0.00 0.00 43.02 41.59 1av8 s PHE 18 CO 0.79 0.54 0.00 1.19 -0.10 0.00 0.00 175.22 177.64 1av8 n PHE 19 N -0.31 0.00 -0.32 0.36 3.72 0.92 -4.85 117.46 116.97 1av8 n PHE 19 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1av8 n PHE 19 Cb 0.59 -1.62 0.00 0.00 -0.94 0.00 0.00 39.48 37.51 1av8 n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1av8 n GLY 20 N -0.03 0.64 3.72 1.37 0.00 -1.26 -4.99 105.19 104.64 1av8 n GLY 20 Ca 0.00 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 1av8 n GLY 20 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1av8 s GLN 21 N 0.84 4.49 0.25 1.61 0.74 -1.26 -4.83 119.66 121.50 1av8 s GLN 21 Ca 0.00 1.76 -0.31 0.00 0.05 0.00 0.00 55.36 56.86 1av8 s GLN 21 Cb 0.00 -3.31 -0.13 0.00 1.10 0.00 0.00 33.01 30.66 1av8 s GLN 21 CO 0.00 -0.13 1.42 -2.30 -0.55 0.00 0.00 175.29 173.74 1av8 n PRO 22 N 3.25 2.10 -1.73 1.67 -0.02 -1.26 -4.47 135.00 134.54 1av8 n PRO 22 Ca 0.06 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.87 1av8 n PRO 22 Cb 0.46 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 1av8 n PRO 22 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1av8 n VAL 23 N 1.88 0.50 0.00 -1.45 0.31 -1.26 -4.43 118.33 113.89 1av8 n VAL 23 Ca 0.11 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1av8 n VAL 23 Cb 0.32 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 1av8 n VAL 23 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1av8 n ASN 24 N 3.08 0.00 -4.68 4.52 0.23 -1.26 -4.60 115.26 112.54 1av8 n ASN 24 Ca 0.12 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.75 1av8 n ASN 24 Cb 0.36 -0.30 -0.03 0.00 -2.08 0.00 0.00 39.78 37.73 1av8 n ASN 24 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1av8 s VAL 25 N -0.81 4.82 -0.60 3.53 0.11 -1.26 -4.97 120.40 121.21 1av8 s VAL 25 Ca 0.00 1.90 -0.24 0.00 -2.93 0.00 0.00 61.98 60.71 1av8 s VAL 25 Cb 0.00 -4.25 0.05 0.00 -1.53 0.00 0.00 36.38 30.65 1av8 s VAL 25 CO 0.00 0.01 0.98 0.00 -3.33 0.00 0.00 175.10 172.76 1av8 s ALA 26 N 2.07 3.11 0.11 1.54 0.00 -1.26 -4.86 121.76 122.47 1av8 s ALA 26 Ca 0.45 -1.43 0.09 0.00 0.00 0.00 0.00 51.96 51.07 1av8 s ALA 26 Cb -0.18 -3.82 -0.04 0.00 0.00 0.00 0.00 23.12 19.09 1av8 s ALA 26 CO 0.16 -2.58 -0.22 -0.98 0.00 0.00 0.00 175.76 172.13 1av8 s ARG 27 N 4.14 1.20 -0.03 0.00 1.70 -1.26 -5.03 118.95 119.67 1av8 s ARG 27 Ca 0.28 -1.19 0.04 0.00 -0.47 0.00 0.00 55.73 54.39 1av8 s ARG 27 Cb -0.13 -1.50 0.06 0.00 -0.57 0.00 0.00 34.95 32.80 1av8 s ARG 27 CO 0.16 0.35 0.90 0.66 -1.08 0.00 0.00 175.30 176.29 1av8 n TYR 28 N 1.08 0.00 0.22 5.89 4.01 -1.26 -4.60 117.16 122.50 1av8 n TYR 28 Ca -0.19 -0.40 0.12 0.00 -0.16 0.00 0.00 57.90 57.26 1av8 n TYR 28 Cb 0.53 -0.06 0.30 0.00 -0.31 0.00 0.00 39.34 39.81 1av8 n TYR 28 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1av8 h ASP 29 N 0.00 0.00 -4.86 7.72 2.03 -2.04 -3.45 116.42 115.82 1av8 h ASP 29 Ca 0.00 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.16 1av8 h ASP 29 Cb 0.85 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 39.14 1av8 h ASP 29 CO 0.00 0.10 -0.40 0.00 -1.03 0.00 0.00 179.24 177.91 1av8 s GLN 30 N -3.33 0.53 -0.01 4.15 -2.07 -1.26 -5.17 119.66 112.50 1av8 s GLN 30 Ca 0.04 -0.24 -0.10 0.00 -1.82 0.00 0.00 55.36 53.24 1av8 s GLN 30 Cb 0.07 0.23 0.01 0.00 -1.09 0.00 0.00 33.01 32.23 1av8 s GLN 30 CO 0.65 -0.13 0.20 1.14 -1.32 0.00 0.00 175.29 175.83 1av8 s GLN 31 N -1.20 0.54 0.03 9.60 0.00 -1.26 -4.92 119.66 122.45 1av8 s GLN 31 Ca -0.13 -0.29 -0.18 0.00 -0.00 0.00 0.00 55.36 54.77 1av8 s GLN 31 Cb -0.06 0.23 -0.21 0.00 0.00 0.00 0.00 33.01 32.97 1av8 s GLN 31 CO 0.02 -0.14 1.16 -0.22 0.00 0.00 0.00 175.29 176.12 1av8 h LYS 32 N 4.21 0.51 -4.53 9.60 3.64 -1.90 -3.43 116.57 124.68 1av8 h LYS 32 Ca -0.30 -0.50 -0.62 0.00 -1.27 0.00 0.00 60.65 57.96 1av8 h LYS 32 Cb 1.19 0.13 -0.37 0.00 -0.41 0.00 0.00 32.23 32.76 1av8 h LYS 32 CO 0.40 1.13 -0.80 0.71 -2.27 0.00 0.00 179.45 178.62 1av8 s TYR 33 N -3.40 2.49 0.54 1.91 2.02 -1.26 -5.01 117.35 114.63 1av8 s TYR 33 Ca -0.12 -1.71 0.20 0.00 -0.37 0.00 0.00 57.07 55.07 1av8 s TYR 33 Cb 0.05 -1.64 1.43 0.00 -0.40 0.00 0.00 41.96 41.39 1av8 s TYR 33 CO 0.84 -0.77 2.17 -0.44 -1.57 0.00 0.00 175.55 175.79 1av8 h ASP 34 N 7.95 0.00 -0.61 2.29 3.32 -2.02 -3.14 116.42 124.22 1av8 h ASP 34 Ca -0.24 0.00 0.12 0.00 0.02 0.00 0.00 57.03 56.93 1av8 h ASP 34 Cb 1.08 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.54 1av8 h ASP 34 CO 0.45 0.01 0.10 -0.29 -1.72 0.00 0.00 179.24 177.80 1av8 h ILE 35 N 0.00 0.60 -0.21 0.35 6.09 -1.99 -1.59 117.51 120.75 1av8 h ILE 35 Ca -0.00 -0.08 -0.07 0.00 -1.37 0.00 0.00 64.86 63.34 1av8 h ILE 35 Cb 0.02 0.36 -0.01 0.00 0.47 0.00 0.00 36.82 37.65 1av8 h ILE 35 CO 0.00 0.04 -0.18 -0.26 -3.07 0.00 0.00 178.15 174.69 1av8 h PHE 36 N 0.23 0.39 -0.31 2.19 0.04 -1.89 -1.05 116.94 116.55 1av8 h PHE 36 Ca 0.32 -0.06 -0.18 0.00 2.80 0.00 0.00 57.97 60.85 1av8 h PHE 36 Cb 0.49 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 1av8 h PHE 36 CO -0.27 0.53 -0.51 1.49 -0.60 0.00 0.00 178.31 178.95 1av8 h GLU 37 N 0.33 0.89 -0.87 1.51 4.57 -1.63 -2.07 114.58 117.32 1av8 h GLU 37 Ca 0.06 -0.54 -0.02 0.00 -1.18 0.00 0.00 59.36 57.67 1av8 h GLU 37 Cb 0.51 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.11 1av8 h GLU 37 CO 0.03 1.18 0.45 0.87 -1.18 0.00 0.00 179.01 180.37 1av8 h LYS 38 N 0.68 1.22 -0.45 1.92 1.57 -0.70 -1.06 116.57 119.75 1av8 h LYS 38 Ca 0.02 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1av8 h LYS 38 Cb 1.12 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 1av8 h LYS 38 CO 0.12 0.91 0.15 -0.07 -0.57 0.00 0.00 179.45 179.99 1av8 h LEU 39 N 1.22 0.64 -0.06 2.94 3.38 -1.12 -0.98 115.31 121.33 1av8 h LEU 39 Ca 0.30 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1av8 h LEU 39 Cb 0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1av8 h LEU 39 CO -0.04 0.66 -0.04 0.40 0.09 0.00 0.00 178.44 179.50 1av8 h ILE 40 N 0.58 0.87 -0.51 1.22 2.04 -0.89 0.17 117.51 120.99 1av8 h ILE 40 Ca 0.15 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.04 1av8 h ILE 40 Cb 0.24 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 1av8 h ILE 40 CO -0.01 0.00 0.28 -0.33 0.00 0.00 0.00 178.15 178.09 1av8 h GLU 41 N -0.05 0.53 0.05 2.37 5.08 -0.99 -0.83 114.58 120.74 1av8 h GLU 41 Ca 0.04 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1av8 h GLU 41 Cb 0.11 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1av8 h GLU 41 CO -0.09 0.35 -0.02 0.87 -1.00 0.00 0.00 179.01 179.11 1av8 h LYS 42 N 0.54 -0.06 -0.57 2.33 1.79 -0.70 -1.14 116.57 118.77 1av8 h LYS 42 Ca 0.22 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.77 1av8 h LYS 42 Cb 0.10 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.70 1av8 h LYS 42 CO -0.13 0.06 0.22 0.37 -1.08 0.00 0.00 179.45 178.89 1av8 h GLN 43 N -0.17 0.40 -0.84 3.15 5.75 -0.49 -0.89 115.11 122.02 1av8 h GLN 43 Ca -0.01 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1av8 h GLN 43 Cb 0.15 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.57 1av8 h GLN 43 CO 0.01 0.27 0.50 -0.07 -2.65 0.00 0.00 178.83 176.88 1av8 h LEU 44 N 0.41 1.01 -0.03 -2.39 3.38 -0.91 -1.87 115.31 114.91 1av8 h LEU 44 Ca 0.28 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1av8 h LEU 44 Cb 0.31 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1av8 h LEU 44 CO -0.27 0.78 0.00 -1.54 0.09 0.00 0.00 178.44 177.51 1av8 n SER 45 N -4.36 0.12 0.01 -0.43 3.41 -0.45 -2.97 113.62 108.94 1av8 n SER 45 Ca 0.09 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.33 1av8 n SER 45 Cb 0.07 -0.54 0.04 0.00 -0.26 0.00 0.00 64.21 63.52 1av8 n SER 45 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1av8 n PHE 46 N -1.61 0.06 -1.29 7.33 3.72 -0.46 -5.00 117.46 120.20 1av8 n PHE 46 Ca 0.06 0.02 -0.50 0.00 -0.05 0.00 0.00 57.45 56.97 1av8 n PHE 46 Cb 0.31 -0.19 -0.07 0.00 -0.94 0.00 0.00 39.48 38.58 1av8 n PHE 46 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1av8 n PHE 47 N -1.62 1.00 -4.07 1.38 7.35 -1.05 -4.97 117.46 115.48 1av8 n PHE 47 Ca 0.04 0.88 -0.07 0.00 -0.76 0.00 0.00 57.45 57.53 1av8 n PHE 47 Cb 0.36 -1.71 -0.10 0.00 0.35 0.00 0.00 39.48 38.38 1av8 n PHE 47 CO 0.00 0.00 0.00 1.67 -0.76 0.00 0.00 176.76 177.67 1av8 s TRP 48 N 1.33 0.49 -0.17 -5.13 1.48 -1.26 -5.13 118.94 110.55 1av8 s TRP 48 Ca 0.78 -1.02 -0.00 0.00 -1.06 0.00 0.00 56.10 54.79 1av8 s TRP 48 Cb -1.10 -0.36 0.00 0.00 -1.16 0.00 0.00 33.47 30.85 1av8 s TRP 48 CO 0.56 -0.39 -0.15 1.03 -4.06 0.00 0.00 176.95 173.94 1av8 s ARG 49 N -3.89 3.17 0.18 3.25 1.81 -1.26 -5.02 118.95 117.19 1av8 s ARG 49 Ca 0.07 -0.76 -0.14 0.00 -1.72 0.00 0.00 55.73 53.17 1av8 s ARG 49 Cb 0.08 -2.65 0.16 0.00 -0.45 0.00 0.00 34.95 32.08 1av8 s ARG 49 CO -0.10 -0.07 1.69 -1.35 -0.68 0.00 0.00 175.30 174.79 1av8 h PRO 50 N 7.56 0.12 -1.10 3.54 0.11 -1.95 -2.40 132.00 137.88 1av8 h PRO 50 Ca -0.37 -0.01 0.30 0.00 0.11 0.00 0.00 66.00 66.04 1av8 h PRO 50 Cb 1.17 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.15 1av8 h PRO 50 CO 0.59 0.08 0.70 0.93 -0.21 0.00 0.00 178.00 180.09 1av8 h GLU 51 N 0.12 0.31 0.00 1.05 3.07 -1.95 -1.02 114.58 116.16 1av8 h GLU 51 Ca 0.23 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.06 1av8 h GLU 51 Cb 0.33 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1av8 h GLU 51 CO -0.37 0.21 -0.05 0.93 -1.40 0.00 0.00 179.01 178.32 1av8 h GLU 52 N 0.32 0.00 -6.21 2.33 4.39 -1.86 -3.43 114.58 110.12 1av8 h GLU 52 Ca 0.65 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.80 1av8 h GLU 52 Cb 1.74 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.35 1av8 h GLU 52 CO -0.33 0.05 0.20 0.08 -1.16 0.00 0.00 179.01 177.85 1av8 s VAL 53 N -4.30 4.92 -0.29 3.13 1.01 -0.39 -5.03 120.40 119.46 1av8 s VAL 53 Ca -0.04 1.69 -0.29 0.00 0.00 0.00 0.00 61.98 63.34 1av8 s VAL 53 Cb 0.13 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.38 1av8 s VAL 53 CO 0.54 0.24 1.05 -0.62 0.00 0.00 0.00 175.10 176.31 1av8 s ASP 54 N 0.70 6.98 -0.10 3.32 2.15 -1.26 -4.89 116.67 123.56 1av8 s ASP 54 Ca 0.43 1.15 0.14 0.00 0.43 0.00 0.00 52.55 54.69 1av8 s ASP 54 Cb -0.19 -2.54 0.24 0.00 -0.30 0.00 0.00 42.92 40.13 1av8 s ASP 54 CO 0.22 -0.79 1.12 1.33 -0.17 0.00 0.00 175.17 176.88 1av8 n VAL 55 N 5.66 1.45 0.08 1.11 0.24 -1.26 -4.48 118.33 121.13 1av8 n VAL 55 Ca 0.12 -1.81 -0.03 0.00 -2.04 0.00 0.00 64.34 60.58 1av8 n VAL 55 Cb 0.47 -0.05 0.20 0.00 -1.47 0.00 0.00 33.84 32.99 1av8 n VAL 55 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1av8 h SER 56 N 0.10 0.31 -0.39 -1.34 4.64 -1.90 -3.12 113.55 111.85 1av8 h SER 56 Ca -0.01 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 1av8 h SER 56 Cb 1.11 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 1av8 h SER 56 CO 0.00 0.69 0.21 -0.09 -0.87 0.00 0.00 176.83 176.78 1av8 h ARG 57 N 0.25 0.54 -1.35 4.77 9.65 -1.93 -2.99 114.38 123.32 1av8 h ARG 57 Ca 0.02 -0.06 0.39 0.00 -1.10 0.00 0.00 59.98 59.23 1av8 h ARG 57 Cb 0.84 -0.11 -0.07 0.00 -1.39 0.00 0.00 29.97 29.24 1av8 h ARG 57 CO 0.07 0.44 0.95 -0.44 2.80 0.00 0.00 179.97 183.79 1av8 h ASP 58 N 0.50 0.08 -0.28 -3.80 5.19 -1.89 -0.29 116.42 115.94 1av8 h ASP 58 Ca 0.14 0.03 0.04 0.00 -0.62 0.00 0.00 57.03 56.61 1av8 h ASP 58 Cb 0.06 0.02 -0.04 0.00 0.18 0.00 0.00 39.33 39.54 1av8 h ASP 58 CO -0.02 -0.01 0.04 -0.09 -3.12 0.00 0.00 179.24 176.04 1av8 h ARG 59 N 0.06 0.13 -0.07 3.56 2.43 -1.66 0.28 114.38 119.10 1av8 h ARG 59 Ca 0.68 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.83 1av8 h ARG 59 Cb 2.53 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 32.05 1av8 h ARG 59 CO -0.09 0.09 0.01 0.97 -1.51 0.00 0.00 179.97 179.44 1av8 h ILE 60 N 0.13 1.21 -0.19 1.20 -0.00 -1.24 -1.04 117.51 117.57 1av8 h ILE 60 Ca 0.13 -0.63 0.06 0.00 -0.00 0.00 0.00 64.86 64.42 1av8 h ILE 60 Cb 0.15 1.50 -0.07 0.00 -0.00 0.00 0.00 36.82 38.40 1av8 h ILE 60 CO -0.19 0.18 -0.26 0.44 -0.00 0.00 0.00 178.15 178.32 1av8 h ASP 61 N -0.12 -0.82 -0.75 2.19 5.19 -1.40 -0.67 116.42 120.04 1av8 h ASP 61 Ca 0.02 0.14 0.07 0.00 -0.62 0.00 0.00 57.03 56.63 1av8 h ASP 61 Cb 0.27 0.37 -0.06 0.00 0.18 0.00 0.00 39.33 40.09 1av8 h ASP 61 CO 0.00 -0.30 0.43 0.22 -3.12 0.00 0.00 179.24 176.47 1av8 h TYR 62 N -0.30 0.80 -0.71 4.55 3.20 -0.35 -2.01 116.97 122.15 1av8 h TYR 62 Ca 0.12 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 1av8 h TYR 62 Cb 0.48 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 1av8 h TYR 62 CO -0.39 0.38 0.31 1.96 -1.64 0.00 0.00 178.16 178.78 1av8 h GLN 63 N 0.78 1.03 0.00 1.82 4.20 -0.13 -2.78 115.11 120.03 1av8 h GLN 63 Ca 0.34 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1av8 h GLN 63 Cb 0.21 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1av8 h GLN 63 CO -0.19 0.81 0.00 0.00 -0.67 0.00 0.00 178.83 178.78 1av8 n ALA 64 N -2.44 1.71 -1.78 3.87 0.00 -0.36 -4.84 120.51 116.67 1av8 n ALA 64 Ca 0.07 0.02 -0.37 0.00 0.00 0.00 0.00 53.44 53.16 1av8 n ALA 64 Cb 0.15 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 1av8 n ALA 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1av8 s LEU 65 N -3.78 4.06 1.00 0.00 1.43 -1.05 -5.03 118.68 115.31 1av8 s LEU 65 Ca 0.06 2.15 -0.12 0.00 -1.03 0.00 0.00 54.13 55.19 1av8 s LEU 65 Cb 0.10 -4.24 0.19 0.00 0.03 0.00 0.00 46.19 42.27 1av8 s LEU 65 CO 0.35 -0.70 1.08 -2.84 0.23 0.00 0.00 176.35 174.47 1av8 s PRO 66 N -2.64 0.39 0.12 1.29 0.02 -1.26 -4.71 135.00 128.21 1av8 s PRO 66 Ca 0.61 0.75 -0.20 0.00 0.02 0.00 0.00 61.00 62.18 1av8 s PRO 66 Cb -0.24 -1.71 -0.07 0.00 0.02 0.00 0.00 34.50 32.49 1av8 s PRO 66 CO 0.30 -2.82 1.75 0.93 -0.33 0.00 0.00 177.00 176.83 1av8 h GLU 67 N -1.96 0.13 -0.36 5.54 3.07 -1.97 -0.52 114.58 118.51 1av8 h GLU 67 Ca -0.54 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.29 1av8 h GLU 67 Cb 1.31 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 29.17 1av8 h GLU 67 CO 0.54 0.09 0.13 1.12 -1.40 0.00 0.00 179.01 179.49 1av8 h HIS 68 N 0.14 0.50 -0.10 4.33 2.07 -1.92 0.56 115.15 120.73 1av8 h HIS 68 Ca 0.06 -0.02 -0.15 0.00 -2.85 0.00 0.00 60.37 57.42 1av8 h HIS 68 Cb 0.03 -0.16 -0.01 0.00 2.57 0.00 0.00 27.41 29.84 1av8 h HIS 68 CO -0.10 0.41 -0.58 0.93 -3.07 0.00 0.00 177.93 175.51 1av8 h GLU 69 N 0.50 0.31 -0.46 5.12 5.08 -1.69 -0.37 114.58 123.08 1av8 h GLU 69 Ca 0.12 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 1av8 h GLU 69 Cb 0.13 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1av8 h GLU 69 CO -0.01 0.81 -0.12 0.87 -1.00 0.00 0.00 179.01 179.56 1av8 h LYS 70 N 0.24 0.90 0.00 2.33 1.57 -0.27 -2.03 116.57 119.31 1av8 h LYS 70 Ca -0.00 -0.35 0.02 0.00 -1.87 0.00 0.00 60.65 58.46 1av8 h LYS 70 Cb 1.09 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.32 1av8 h LYS 70 CO 0.09 0.99 -0.16 1.25 -0.57 0.00 0.00 179.45 181.06 1av8 h HIS 71 N 0.74 -0.41 0.22 -1.35 2.76 -0.51 0.71 115.15 117.32 1av8 h HIS 71 Ca 0.12 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.31 1av8 h HIS 71 Cb 0.67 0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.78 1av8 h HIS 71 CO 0.05 -0.23 -0.34 0.82 -1.30 0.00 0.00 177.93 176.93 1av8 h ILE 72 N -0.26 0.30 0.58 6.26 2.04 -0.96 -0.67 117.51 124.81 1av8 h ILE 72 Ca 0.05 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1av8 h ILE 72 Cb 0.33 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1av8 h ILE 72 CO -0.15 0.00 -0.44 0.15 0.00 0.00 0.00 178.15 177.71 1av8 h PHE 73 N -0.63 -1.18 -0.84 1.37 3.57 -1.19 -2.05 116.94 115.99 1av8 h PHE 73 Ca 0.01 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1av8 h PHE 73 Cb 0.61 0.44 -0.05 0.00 2.79 0.00 0.00 35.95 39.74 1av8 h PHE 73 CO -0.25 -0.63 0.54 0.82 -2.23 0.00 0.00 178.31 176.56 1av8 h ILE 74 N -0.99 1.13 -0.54 1.41 1.08 -0.87 -0.24 117.51 118.50 1av8 h ILE 74 Ca -0.07 -0.36 -0.04 0.00 -0.39 0.00 0.00 64.86 64.00 1av8 h ILE 74 Cb 0.83 -0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 1av8 h ILE 74 CO 0.02 0.19 0.20 0.28 -0.69 0.00 0.00 178.15 178.15 1av8 h SER 75 N 1.05 0.76 -0.11 1.72 0.02 -1.10 -0.40 113.55 115.49 1av8 h SER 75 Ca 0.33 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1av8 h SER 75 Cb 0.01 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1av8 h SER 75 CO -0.11 0.74 0.07 -1.13 -1.14 0.00 0.00 176.83 175.25 1av8 h ASN 76 N 0.73 0.11 -0.63 3.07 -1.24 -0.93 -1.42 115.58 115.28 1av8 h ASN 76 Ca 0.18 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.17 1av8 h ASN 76 Cb 0.23 -0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.22 1av8 h ASN 76 CO -0.01 0.08 0.33 0.25 -1.29 0.00 0.00 177.43 176.79 1av8 h LEU 77 N 0.14 0.82 -0.29 0.34 5.85 -0.82 -1.14 115.31 120.20 1av8 h LEU 77 Ca 0.04 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 1av8 h LEU 77 Cb -0.01 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1av8 h LEU 77 CO -0.02 0.68 0.04 0.11 -0.34 0.00 0.00 178.44 178.91 1av8 h LYS 78 N 0.91 0.49 -0.33 1.25 1.57 -0.78 -1.36 116.57 118.32 1av8 h LYS 78 Ca 0.23 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1av8 h LYS 78 Cb 0.07 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1av8 h LYS 78 CO -0.03 0.60 0.13 -0.92 -0.57 0.00 0.00 179.45 178.66 1av8 h TYR 79 N 0.30 0.24 -0.66 -1.35 3.20 -0.78 -0.59 116.97 117.34 1av8 h TYR 79 Ca 0.09 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.99 1av8 h TYR 79 Cb 0.36 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 1av8 h TYR 79 CO 0.03 0.12 0.42 1.96 -1.64 0.00 0.00 178.16 179.04 1av8 h GLN 80 N 0.29 0.81 -0.82 1.82 4.20 -1.10 -1.32 115.11 118.99 1av8 h GLN 80 Ca 0.14 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 1av8 h GLN 80 Cb 0.09 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 1av8 h GLN 80 CO -0.13 0.54 0.40 1.15 -0.67 0.00 0.00 178.83 180.12 1av8 h THR 81 N 0.84 1.25 0.40 -0.54 2.02 -0.48 -1.74 112.91 114.65 1av8 h THR 81 Ca 0.26 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 1av8 h THR 81 Cb -0.02 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1av8 h THR 81 CO -0.09 0.30 -0.19 0.25 0.37 0.00 0.00 175.52 176.17 1av8 h LEU 82 N 1.17 -0.45 -0.52 2.58 5.85 -0.75 -2.36 115.31 120.82 1av8 h LEU 82 Ca 0.28 -0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.99 1av8 h LEU 82 Cb 0.11 0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.16 1av8 h LEU 82 CO -0.04 -0.09 -0.11 -0.07 -0.34 0.00 0.00 178.44 177.79 1av8 h LEU 83 N -0.86 -0.44 -1.41 2.25 3.38 -1.06 -0.57 115.31 116.61 1av8 h LEU 83 Ca -0.05 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1av8 h LEU 83 Cb 0.55 0.31 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1av8 h LEU 83 CO 0.09 -0.16 -0.01 0.44 0.09 0.00 0.00 178.44 178.90 1av8 h ASP 84 N 0.02 0.00 -0.46 -0.43 3.32 -1.36 -0.58 116.42 116.93 1av8 h ASP 84 Ca 0.25 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.21 1av8 h ASP 84 Cb 0.39 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1av8 h ASP 84 CO -0.52 0.01 -0.07 0.28 -1.72 0.00 0.00 179.24 177.22 1av8 h SER 85 N 0.00 0.86 -0.26 6.45 0.02 -0.55 0.12 113.55 120.19 1av8 h SER 85 Ca -0.00 -0.34 -0.09 0.00 -0.84 0.00 0.00 61.79 60.52 1av8 h SER 85 Cb 0.53 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1av8 h SER 85 CO 0.00 1.00 -0.19 0.40 -1.14 0.00 0.00 176.83 176.90 1av8 h ILE 86 N 0.70 1.31 0.00 3.27 2.04 -1.03 -3.06 117.51 120.74 1av8 h ILE 86 Ca 0.12 -1.33 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 1av8 h ILE 86 Cb 0.60 1.60 -0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1av8 h ILE 86 CO 0.04 0.42 -0.08 1.56 0.00 0.00 0.00 178.15 180.09 1av8 h GLN 87 N 0.31 0.00 -0.20 2.37 1.08 -0.83 -0.62 115.11 117.23 1av8 h GLN 87 Ca 0.05 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.13 1av8 h GLN 87 Cb 0.73 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.16 1av8 h GLN 87 CO 0.05 0.08 -0.33 0.78 -0.95 0.00 0.00 178.83 178.45 1av8 h GLY 88 N 1.01 0.63 0.30 3.46 0.00 -0.65 -3.39 103.07 104.44 1av8 h GLY 88 Ca -0.00 -0.72 -0.36 0.00 0.00 0.00 0.00 47.33 46.25 1av8 h GLY 88 CO 0.01 0.65 -2.22 -0.96 0.00 0.00 0.00 176.54 174.02 1av8 n ARG 89 N -4.31 0.68 -0.15 4.80 1.85 -1.12 -4.67 116.66 113.75 1av8 n ARG 89 Ca -0.06 0.16 -0.05 0.00 -1.00 0.00 0.00 57.85 56.90 1av8 n ARG 89 Cb 0.49 -1.61 0.04 0.00 -1.05 0.00 0.00 32.46 30.33 1av8 n ARG 89 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1av8 h SER 90 N 0.02 0.33 -0.76 2.89 0.02 -1.30 -1.85 113.55 112.90 1av8 h SER 90 Ca -0.49 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1av8 h SER 90 Cb 2.04 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 64.51 1av8 h SER 90 CO 0.01 0.24 0.49 -0.65 -1.14 0.00 0.00 176.83 175.78 1av8 h PRO 91 N 0.46 1.01 -0.17 3.45 0.11 -1.81 0.11 132.00 135.16 1av8 h PRO 91 Ca 0.20 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.18 1av8 h PRO 91 Cb 0.10 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 30.99 1av8 h PRO 91 CO -0.14 0.68 -0.13 -0.91 -0.21 0.00 0.00 178.00 177.29 1av8 h ASN 92 N 1.03 0.41 -0.20 -2.05 2.35 -1.79 -0.27 115.58 115.06 1av8 h ASN 92 Ca 0.28 -0.45 -0.20 0.00 -0.55 0.00 0.00 56.30 55.38 1av8 h ASN 92 Cb -0.10 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.16 1av8 h ASN 92 CO -0.06 0.77 -0.64 0.58 -1.65 0.00 0.00 177.43 176.43 1av8 h VAL 93 N 0.05 1.29 0.09 2.81 2.07 -1.12 -3.12 116.25 118.33 1av8 h VAL 93 Ca 0.03 -1.84 -0.24 0.00 0.82 0.00 0.00 66.70 65.48 1av8 h VAL 93 Cb 0.64 1.86 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1av8 h VAL 93 CO 0.03 0.59 -1.21 0.00 0.02 0.00 0.00 177.57 177.00 1av8 h ALA 94 N 0.59 0.14 0.13 1.67 0.00 -0.85 -3.42 119.26 117.53 1av8 h ALA 94 Ca -0.02 -1.01 -0.34 0.00 0.00 0.00 0.00 54.91 53.54 1av8 h ALA 94 Cb 1.26 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1av8 h ALA 94 CO 0.14 0.69 -1.81 -0.07 0.00 0.00 0.00 179.25 178.20 1av8 h LEU 95 N -0.45 0.43 -0.70 0.00 3.38 -1.18 -3.40 115.31 113.39 1av8 h LEU 95 Ca -0.27 -0.91 0.15 0.00 0.09 0.00 0.00 57.88 56.95 1av8 h LEU 95 Cb 1.63 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 42.12 1av8 h LEU 95 CO 0.03 1.79 0.01 0.25 0.09 0.00 0.00 178.44 180.61 1av8 h LEU 96 N -0.04 -0.31 0.00 1.67 5.85 -1.43 -0.65 115.31 120.39 1av8 h LEU 96 Ca -0.39 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1av8 h LEU 96 Cb 1.97 0.31 0.00 0.00 0.37 0.00 0.00 40.66 43.31 1av8 h LEU 96 CO 0.09 -0.15 0.00 -2.65 -0.34 0.00 0.00 178.44 175.38 1av8 n PRO 97 N -5.32 0.01 -0.00 5.25 -0.02 -1.26 -2.73 135.00 130.93 1av8 n PRO 97 Ca 0.12 0.40 0.06 0.00 -2.02 0.00 0.00 63.50 62.06 1av8 n PRO 97 Cb 0.43 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.32 1av8 n PRO 97 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1av8 n LEU 98 N -1.48 0.37 -4.76 2.45 4.77 -0.26 -4.97 117.00 113.12 1av8 n LEU 98 Ca 0.01 -0.30 -0.41 0.00 -0.03 0.00 0.00 56.01 55.28 1av8 n LEU 98 Cb 0.05 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1av8 n LEU 98 CO 0.04 0.09 0.93 -0.63 -1.33 0.00 0.00 177.39 176.50 1av8 s ILE 99 N -2.49 3.00 -0.02 -0.08 1.01 -1.10 -0.06 121.20 121.46 1av8 s ILE 99 Ca 0.01 0.97 0.03 0.00 0.00 0.00 0.00 60.65 61.67 1av8 s ILE 99 Cb 0.09 -3.62 0.05 0.00 0.01 0.00 0.00 42.46 38.99 1av8 s ILE 99 CO 0.54 0.22 0.93 -1.54 0.00 0.00 0.00 174.94 175.08 1av8 n SER 100 N 1.23 1.55 -3.97 3.58 3.41 -0.08 -4.01 113.62 115.33 1av8 n SER 100 Ca 0.01 -1.99 -0.21 0.00 -0.26 0.00 0.00 58.87 56.42 1av8 n SER 100 Cb 0.43 -0.09 -0.16 0.00 -0.26 0.00 0.00 64.21 64.13 1av8 n SER 100 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1av8 s ILE 101 N -1.06 0.75 0.11 -1.33 -4.36 -1.26 -4.58 121.20 109.48 1av8 s ILE 101 Ca 0.05 -0.31 -0.27 0.00 -0.26 0.00 0.00 60.65 59.86 1av8 s ILE 101 Cb 0.05 -0.70 -0.09 0.00 1.25 0.00 0.00 42.46 42.97 1av8 s ILE 101 CO 0.01 0.25 1.46 -0.65 0.24 0.00 0.00 174.94 176.24 1av8 h PRO 102 N 6.67 -0.27 -0.92 0.37 0.11 -1.89 -2.51 132.00 133.56 1av8 h PRO 102 Ca -0.34 0.02 0.16 0.00 0.11 0.00 0.00 66.00 65.95 1av8 h PRO 102 Cb 1.17 0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.26 1av8 h PRO 102 CO 0.48 -0.18 0.59 1.05 -0.21 0.00 0.00 178.00 179.74 1av8 h GLU 103 N -0.28 0.64 -0.20 1.05 9.09 -1.91 -0.91 114.58 122.05 1av8 h GLU 103 Ca 0.07 -0.04 -0.12 0.00 0.05 0.00 0.00 59.36 59.33 1av8 h GLU 103 Cb 0.47 -0.14 -0.00 0.00 -1.65 0.00 0.00 28.75 27.43 1av8 h GLU 103 CO -0.55 0.42 -0.33 1.25 0.05 0.00 0.00 179.01 179.85 1av8 h LEU 104 N 0.66 0.65 0.10 3.06 5.85 -1.86 -1.63 115.31 122.14 1av8 h LEU 104 Ca 0.48 -0.53 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1av8 h LEU 104 Cb 0.85 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1av8 h LEU 104 CO -0.23 1.05 -0.25 -0.08 -0.34 0.00 0.00 178.44 178.58 1av8 h GLU 105 N 0.26 -0.43 -0.49 1.25 4.81 -0.83 -0.22 114.58 118.94 1av8 h GLU 105 Ca 0.02 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1av8 h GLU 105 Cb 0.92 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1av8 h GLU 105 CO 0.08 -0.29 0.30 1.15 -0.73 0.00 0.00 179.01 179.52 1av8 h THR 106 N -0.45 1.15 -0.45 0.32 2.02 -1.26 -2.12 112.91 112.13 1av8 h THR 106 Ca 0.03 -0.33 0.08 0.00 0.77 0.00 0.00 66.41 66.96 1av8 h THR 106 Cb 0.48 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.30 1av8 h THR 106 CO -0.15 0.15 0.03 -0.25 0.37 0.00 0.00 175.52 175.67 1av8 h TRP 107 N 0.66 0.04 -0.71 3.16 2.91 -0.88 0.49 115.95 121.61 1av8 h TRP 107 Ca 0.18 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.28 1av8 h TRP 107 Cb -0.01 0.05 -0.05 0.00 -0.51 0.00 0.00 29.16 28.64 1av8 h TRP 107 CO -0.03 -0.06 0.42 0.28 -1.03 0.00 0.00 178.44 178.02 1av8 h VAL 108 N 0.15 1.03 -0.35 2.65 2.07 -0.49 0.20 116.25 121.50 1av8 h VAL 108 Ca 0.22 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 67.36 1av8 h VAL 108 Cb 0.31 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1av8 h VAL 108 CO -0.34 0.14 -0.25 -0.33 0.02 0.00 0.00 177.57 176.82 1av8 h GLU 109 N 0.79 0.70 -0.26 1.57 5.08 -0.76 -0.60 114.58 121.11 1av8 h GLU 109 Ca 0.30 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1av8 h GLU 109 Cb 0.12 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1av8 h GLU 109 CO -0.15 0.88 -0.04 1.15 -1.00 0.00 0.00 179.01 179.85 1av8 h THR 110 N 0.61 1.27 0.07 1.13 2.02 -0.15 -0.29 112.91 117.57 1av8 h THR 110 Ca 0.08 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.26 1av8 h THR 110 Cb 0.74 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 1av8 h THR 110 CO 0.06 0.32 -0.20 -0.25 0.37 0.00 0.00 175.52 175.82 1av8 h TRP 111 N 0.25 -0.53 -0.31 3.16 7.01 -0.47 0.16 115.95 125.23 1av8 h TRP 111 Ca 0.07 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.11 1av8 h TRP 111 Cb 0.49 0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.75 1av8 h TRP 111 CO 0.05 -0.29 0.13 0.00 -2.79 0.00 0.00 178.44 175.54 1av8 h ALA 112 N 0.47 0.36 -0.59 2.65 0.00 -1.03 -0.92 119.26 120.22 1av8 h ALA 112 Ca 0.04 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1av8 h ALA 112 Cb 0.40 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1av8 h ALA 112 CO -0.14 -0.26 0.28 0.35 0.00 0.00 0.00 179.25 179.48 1av8 h PHE 113 N 0.28 0.50 -0.91 0.00 3.57 -0.67 -0.10 116.94 119.61 1av8 h PHE 113 Ca 0.13 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.77 1av8 h PHE 113 Cb 0.07 -0.14 -0.08 0.00 2.79 0.00 0.00 35.95 38.59 1av8 h PHE 113 CO -0.11 0.21 0.54 1.03 -2.23 0.00 0.00 178.31 177.75 1av8 h SER 114 N 0.52 0.77 -0.24 0.41 0.87 0.29 -1.33 113.55 114.84 1av8 h SER 114 Ca 0.27 0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.82 1av8 h SER 114 Cb 0.24 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 1av8 h SER 114 CO -0.22 0.41 -0.08 -0.33 -0.53 0.00 0.00 176.83 176.08 1av8 h GLU 115 N 0.86 0.61 0.00 2.24 4.39 0.27 -1.73 114.58 121.22 1av8 h GLU 115 Ca 0.46 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.93 1av8 h GLU 115 Cb 0.47 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1av8 h GLU 115 CO -0.27 0.69 -0.24 1.79 -1.16 0.00 0.00 179.01 179.81 1av8 h THR 116 N 0.57 1.00 -0.46 1.13 1.35 -0.48 -1.43 112.91 114.59 1av8 h THR 116 Ca 0.11 -0.88 -0.14 0.00 -0.55 0.00 0.00 66.41 64.95 1av8 h THR 116 Cb 0.48 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.39 1av8 h THR 116 CO 0.03 0.24 -0.25 0.40 -0.25 0.00 0.00 175.52 175.68 1av8 h ILE 117 N 0.00 1.27 -0.38 6.82 1.08 -1.03 -1.83 117.51 123.44 1av8 h ILE 117 Ca -0.00 -1.42 -0.00 0.00 -0.39 0.00 0.00 64.86 63.05 1av8 h ILE 117 Cb 0.48 1.18 -0.02 0.00 -3.07 0.00 0.00 36.82 35.39 1av8 h ILE 117 CO 0.03 0.49 0.22 0.45 -0.69 0.00 0.00 178.15 178.65 1av8 h HIS 118 N 0.83 0.50 -0.83 1.37 3.86 -0.98 -1.20 115.15 118.70 1av8 h HIS 118 Ca 0.10 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.34 1av8 h HIS 118 Cb 0.83 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 29.09 1av8 h HIS 118 CO 0.06 0.37 0.54 0.77 0.86 0.00 0.00 177.93 180.52 1av8 h SER 119 N 0.49 0.89 -0.79 2.45 0.02 -1.06 -1.71 113.55 113.84 1av8 h SER 119 Ca 0.13 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1av8 h SER 119 Cb 0.02 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.32 1av8 h SER 119 CO -0.02 0.62 0.35 0.03 -1.14 0.00 0.00 176.83 176.66 1av8 h ARG 120 N 1.05 1.16 -0.29 3.45 3.08 -0.99 -2.08 114.38 119.77 1av8 h ARG 120 Ca 0.33 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1av8 h ARG 120 Cb 0.00 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 1av8 h ARG 120 CO -0.11 0.92 0.05 0.66 -1.07 0.00 0.00 179.97 180.42 1av8 h SER 121 N 1.13 0.38 -0.28 7.04 4.64 -0.38 -0.89 113.55 125.19 1av8 h SER 121 Ca 0.27 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.51 1av8 h SER 121 Cb 0.17 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1av8 h SER 121 CO -0.03 0.41 0.07 1.88 -0.87 0.00 0.00 176.83 178.30 1av8 h TYR 122 N 0.41 0.48 -0.60 4.77 0.05 -0.66 -1.76 116.97 119.67 1av8 h TYR 122 Ca 0.10 -0.06 0.04 0.00 0.05 0.00 0.00 58.73 58.87 1av8 h TYR 122 Cb 0.20 -0.13 -0.05 0.00 1.01 0.00 0.00 36.73 37.76 1av8 h TYR 122 CO 0.01 0.52 0.34 1.15 -1.05 0.00 0.00 178.16 179.12 1av8 h THR 123 N 0.29 1.00 -0.52 -2.88 2.02 -1.08 -0.19 112.91 111.55 1av8 h THR 123 Ca 0.09 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 67.08 1av8 h THR 123 Cb 0.28 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1av8 h THR 123 CO 0.00 0.12 0.34 -0.74 0.37 0.00 0.00 175.52 175.61 1av8 h HIS 124 N 0.64 0.58 0.08 3.16 -0.00 -0.81 -1.77 115.15 117.03 1av8 h HIS 124 Ca 0.26 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.64 1av8 h HIS 124 Cb 0.12 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 27.34 1av8 h HIS 124 CO -0.08 0.34 -0.04 0.82 -0.00 0.00 0.00 177.93 178.98 1av8 h ILE 125 N 0.60 0.93 -0.53 6.26 2.04 -0.42 -3.30 117.51 123.09 1av8 h ILE 125 Ca 0.21 -1.45 0.09 0.00 1.00 0.00 0.00 64.86 64.71 1av8 h ILE 125 Cb 0.07 1.67 -0.07 0.00 -0.74 0.00 0.00 36.82 37.75 1av8 h ILE 125 CO -0.05 0.28 0.11 0.40 0.00 0.00 0.00 178.15 178.89 1av8 h ILE 126 N -0.93 0.70 0.00 -0.67 2.04 -0.91 -0.95 117.51 116.80 1av8 h ILE 126 Ca -0.01 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1av8 h ILE 126 Cb 0.54 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1av8 h ILE 126 CO 0.02 0.05 0.00 -2.11 0.00 0.00 0.00 178.15 176.10 1av8 n ARG 127 N -5.11 0.22 0.00 2.37 1.85 -0.68 -1.84 116.66 113.46 1av8 n ARG 127 Ca 0.06 0.13 0.09 0.00 -1.00 0.00 0.00 57.85 57.13 1av8 n ARG 127 Cb 0.26 -1.50 -0.00 0.00 -1.05 0.00 0.00 32.46 30.17 1av8 n ARG 127 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1av8 n ASN 128 N -1.32 1.76 0.00 2.89 3.02 -0.38 -4.65 115.26 116.58 1av8 n ASN 128 Ca 0.08 -1.38 0.00 0.00 -0.03 0.00 0.00 54.58 53.25 1av8 n ASN 128 Cb 0.16 0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 1av8 n ASN 128 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1av8 n ILE 129 N -0.08 0.00 -2.90 2.41 -5.35 -1.07 -4.06 119.36 108.30 1av8 n ILE 129 Ca 0.07 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.35 1av8 n ILE 129 Cb 0.38 -0.56 0.02 0.00 -1.74 0.00 0.00 39.64 37.74 1av8 n ILE 129 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1av8 s VAL 130 N -1.76 3.32 -0.08 7.28 0.11 -0.77 -4.83 120.40 123.67 1av8 s VAL 130 Ca 0.00 -0.70 -0.03 0.00 -2.93 0.00 0.00 61.98 58.33 1av8 s VAL 130 Cb 0.00 -3.21 -0.01 0.00 -1.53 0.00 0.00 36.38 31.63 1av8 s VAL 130 CO 0.00 -0.13 -0.06 0.78 -3.33 0.00 0.00 175.10 172.36 1av8 h ASN 131 N 0.36 0.00 -3.46 3.54 4.21 -1.92 -3.44 115.58 114.86 1av8 h ASN 131 Ca -0.44 0.00 -0.73 0.00 1.21 0.00 0.00 56.30 56.35 1av8 h ASN 131 Cb 1.28 0.00 -0.30 0.00 -1.12 0.00 0.00 38.32 38.17 1av8 h ASN 131 CO 0.53 0.41 -0.35 -0.62 -1.29 0.00 0.00 177.43 176.11 1av8 s ASP 132 N -4.83 5.71 0.59 5.81 2.15 -1.26 -4.94 116.67 119.90 1av8 s ASP 132 Ca -0.05 -2.11 0.29 0.00 0.43 0.00 0.00 52.55 51.11 1av8 s ASP 132 Cb 0.01 -2.00 1.43 0.00 -0.30 0.00 0.00 42.92 42.06 1av8 s ASP 132 CO 0.07 -0.63 1.83 -0.65 -0.17 0.00 0.00 175.17 175.62 1av8 h PRO 133 N 8.19 0.00 -0.77 4.34 0.11 -1.88 -2.14 132.00 139.86 1av8 h PRO 133 Ca -0.15 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.97 1av8 h PRO 133 Cb 1.05 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 1av8 h PRO 133 CO 0.82 0.00 0.51 0.77 -0.21 0.00 0.00 178.00 179.89 1av8 h SER 134 N 0.00 0.87 -0.96 -2.05 0.02 -1.99 -1.77 113.55 107.67 1av8 h SER 134 Ca 0.28 -0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.30 1av8 h SER 134 Cb 1.45 -0.21 -0.08 0.00 0.14 0.00 0.00 62.40 63.70 1av8 h SER 134 CO -0.00 0.63 0.60 -0.37 -1.14 0.00 0.00 176.83 176.54 1av8 h VAL 135 N 1.03 0.98 0.56 2.27 -1.51 -1.82 0.27 116.25 118.03 1av8 h VAL 135 Ca 0.28 -0.35 -0.03 0.00 -1.23 0.00 0.00 66.70 65.38 1av8 h VAL 135 Cb -0.10 -0.12 0.01 0.00 -2.13 0.00 0.00 31.29 28.94 1av8 h VAL 135 CO -0.07 0.18 -0.27 0.58 -1.23 0.00 0.00 177.57 176.77 1av8 h VAL 136 N 1.01 0.17 -0.79 7.19 2.07 -1.58 -2.29 116.25 122.02 1av8 h VAL 136 Ca 0.45 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.60 1av8 h VAL 136 Cb 0.35 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 1av8 h VAL 136 CO -0.23 0.03 0.52 -0.26 0.02 0.00 0.00 177.57 177.65 1av8 h PHE 137 N -1.12 0.85 -0.44 1.57 0.04 -1.05 -2.11 116.94 114.67 1av8 h PHE 137 Ca -0.08 0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.58 1av8 h PHE 137 Cb 0.62 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 1av8 h PHE 137 CO 0.01 0.44 -0.25 -0.44 -0.60 0.00 0.00 178.31 177.47 1av8 h ASP 138 N 0.83 0.96 -0.05 2.17 3.32 -0.48 -2.93 116.42 120.24 1av8 h ASP 138 Ca 0.34 -0.37 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 1av8 h ASP 138 Cb 0.27 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1av8 h ASP 138 CO -0.12 1.15 -0.09 -0.78 -1.72 0.00 0.00 179.24 177.68 1av8 h ASP 139 N 0.80 0.30 -0.91 6.45 3.58 -0.78 -2.72 116.42 123.14 1av8 h ASP 139 Ca 0.10 -0.06 0.22 0.00 0.42 0.00 0.00 57.03 57.71 1av8 h ASP 139 Cb 0.82 -0.08 -0.06 0.00 1.72 0.00 0.00 39.33 41.73 1av8 h ASP 139 CO 0.07 0.43 0.61 0.40 -2.88 0.00 0.00 179.24 177.87 1av8 h ILE 140 N 0.30 0.63 0.01 2.25 2.04 -1.28 0.12 117.51 121.59 1av8 h ILE 140 Ca 0.06 -0.10 -0.34 0.00 1.00 0.00 0.00 64.86 65.48 1av8 h ILE 140 Cb 0.35 0.31 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 1av8 h ILE 140 CO 0.02 0.05 -2.08 1.33 0.00 0.00 0.00 178.15 177.48 1av8 n VAL 141 N -4.46 1.51 0.06 1.67 0.24 -1.04 -4.45 118.33 111.87 1av8 n VAL 141 Ca 0.19 -0.81 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 1av8 n VAL 141 Cb 0.78 -0.83 -0.05 0.00 -1.47 0.00 0.00 33.84 32.26 1av8 n VAL 141 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1av8 h THR 142 N 0.00 0.68 -2.19 3.34 1.35 -1.31 -3.46 112.91 111.33 1av8 h THR 142 Ca -0.43 -2.16 -0.58 0.00 -0.55 0.00 0.00 66.41 62.69 1av8 h THR 142 Cb 2.12 2.20 0.02 0.00 -1.73 0.00 0.00 68.15 70.76 1av8 h THR 142 CO 0.05 0.39 1.13 -3.20 -0.25 0.00 0.00 175.52 173.64 1av8 n ASN 143 N -3.02 3.72 0.03 5.36 2.85 0.39 -4.90 115.26 119.69 1av8 n ASN 143 Ca -0.06 0.96 -0.01 0.00 -0.11 0.00 0.00 54.58 55.35 1av8 n ASN 143 Cb 0.82 -1.44 0.26 0.00 1.24 0.00 0.00 39.78 40.66 1av8 n ASN 143 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1av8 h GLU 144 N 9.42 0.43 -0.06 1.20 5.08 -1.90 -1.50 114.58 127.25 1av8 h GLU 144 Ca -0.49 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 57.73 1av8 h GLU 144 Cb 1.26 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1av8 h GLU 144 CO 0.94 0.60 0.00 1.96 -1.00 0.00 0.00 179.01 181.51 1av8 h GLN 145 N 0.40 0.10 -0.38 2.33 1.08 -1.98 -2.65 115.11 114.01 1av8 h GLN 145 Ca 0.07 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 1av8 h GLN 145 Cb 0.54 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 1av8 h GLN 145 CO 0.04 0.38 0.01 0.82 -0.95 0.00 0.00 178.83 179.12 1av8 h ILE 146 N -0.19 1.26 -0.06 2.54 2.04 -1.89 -2.71 117.51 118.50 1av8 h ILE 146 Ca 0.02 -0.98 0.02 0.00 1.00 0.00 0.00 64.86 64.91 1av8 h ILE 146 Cb 0.33 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1av8 h ILE 146 CO 0.00 0.33 0.08 1.56 0.00 0.00 0.00 178.15 180.13 1av8 h GLN 147 N 0.49 0.00 0.00 2.37 1.08 -1.28 0.41 115.11 118.18 1av8 h GLN 147 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 1av8 h GLN 147 Cb 0.46 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1av8 h GLN 147 CO 0.02 0.00 0.00 -0.22 -0.95 0.00 0.00 178.83 177.68 1av8 h LYS 148 N 0.00 0.00 0.00 1.46 3.64 -1.13 -2.96 116.57 117.59 1av8 h LYS 148 Ca 0.03 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 59.02 1av8 h LYS 148 Cb 0.19 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.94 1av8 h LYS 148 CO -0.00 0.00 -2.45 0.54 -2.27 0.00 0.00 179.45 175.27 1av8 n ARG 149 N -2.43 0.66 0.35 1.90 3.00 0.06 -4.50 116.66 115.70 1av8 n ARG 149 Ca 0.03 0.10 -0.18 0.00 -0.01 0.00 0.00 57.85 57.79 1av8 n ARG 149 Cb 0.34 -1.52 -0.09 0.00 0.00 0.00 0.00 32.46 31.19 1av8 n ARG 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1av8 h ALA 150 N 0.33 -1.01 -0.43 7.54 0.00 -1.34 -2.77 119.26 121.57 1av8 h ALA 150 Ca -0.57 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.22 1av8 h ALA 150 Cb 2.01 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 20.29 1av8 h ALA 150 CO -0.05 -1.09 0.29 1.05 0.00 0.00 0.00 179.25 179.46 1av8 h GLU 151 N -0.98 0.22 -0.20 0.00 9.09 -1.78 -0.55 114.58 120.39 1av8 h GLU 151 Ca -0.08 -0.01 -0.09 0.00 0.05 0.00 0.00 59.36 59.22 1av8 h GLU 151 Cb 0.80 -0.05 -0.00 0.00 -1.65 0.00 0.00 28.75 27.85 1av8 h GLU 151 CO 0.07 0.15 -0.25 0.78 0.05 0.00 0.00 179.01 179.81 1av8 h GLY 152 N 0.23 0.56 0.56 1.06 0.00 -1.77 -1.95 103.07 101.76 1av8 h GLY 152 Ca 0.20 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1av8 h GLY 152 CO -0.04 0.54 -0.07 -2.22 0.00 0.00 0.00 176.54 174.76 1av8 h ILE 153 N 0.18 1.01 0.00 2.60 2.04 -1.11 -3.24 117.51 118.99 1av8 h ILE 153 Ca 0.02 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 1av8 h ILE 153 Cb 0.81 1.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1av8 h ILE 153 CO 0.06 0.20 -0.12 0.77 0.00 0.00 0.00 178.15 179.06 1av8 h SER 154 N -0.63 0.00 -0.87 1.72 4.64 -1.20 -2.76 113.55 114.44 1av8 h SER 154 Ca -0.02 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.35 1av8 h SER 154 Cb 0.48 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.51 1av8 h SER 154 CO 0.03 0.12 0.57 0.77 -0.87 0.00 0.00 176.83 177.45 1av8 h SER 155 N 0.00 0.90 -0.86 4.97 4.64 -1.37 0.30 113.55 122.13 1av8 h SER 155 Ca -0.00 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1av8 h SER 155 Cb 0.21 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 62.07 1av8 h SER 155 CO 0.02 0.60 0.42 1.88 -0.87 0.00 0.00 176.83 178.87 1av8 h TYR 156 N 1.03 1.23 0.43 4.77 0.05 -1.60 0.22 116.97 123.11 1av8 h TYR 156 Ca 0.36 -0.06 -0.02 0.00 0.05 0.00 0.00 58.73 59.06 1av8 h TYR 156 Cb 0.11 -0.38 0.00 0.00 1.01 0.00 0.00 36.73 37.48 1av8 h TYR 156 CO -0.00 0.88 -0.21 1.88 -1.05 0.00 0.00 178.16 179.67 1av8 h TYR 157 N 1.22 -0.53 -0.57 4.88 0.05 -1.35 -2.95 116.97 117.71 1av8 h TYR 157 Ca 0.29 -0.01 0.11 0.00 0.05 0.00 0.00 58.73 59.18 1av8 h TYR 157 Cb 0.11 0.18 -0.11 0.00 1.01 0.00 0.00 36.73 37.92 1av8 h TYR 157 CO 0.01 -0.24 -0.13 -0.44 -1.05 0.00 0.00 178.16 176.31 1av8 h ASP 158 N -1.06 -0.51 -0.71 3.88 5.19 -0.35 0.40 116.42 123.25 1av8 h ASP 158 Ca -0.06 0.17 -0.02 0.00 -0.62 0.00 0.00 57.03 56.50 1av8 h ASP 158 Cb 0.53 0.35 -0.03 0.00 0.18 0.00 0.00 39.33 40.35 1av8 h ASP 158 CO 0.10 -0.18 0.38 -0.33 -3.12 0.00 0.00 179.24 176.09 1av8 h GLU 159 N 0.01 1.02 -0.28 3.56 5.08 -1.05 -0.78 114.58 122.13 1av8 h GLU 159 Ca 0.27 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1av8 h GLU 159 Cb 0.42 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1av8 h GLU 159 CO -0.58 0.76 -0.01 1.25 -1.00 0.00 0.00 179.01 179.43 1av8 h LEU 160 N 1.02 0.50 0.25 1.33 5.85 -1.02 -1.76 115.31 121.47 1av8 h LEU 160 Ca 0.26 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1av8 h LEU 160 Cb 0.05 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1av8 h LEU 160 CO -0.04 0.70 -0.34 0.40 -0.34 0.00 0.00 178.44 178.82 1av8 h ILE 161 N 0.29 0.29 -0.01 4.05 2.04 -0.46 0.08 117.51 123.79 1av8 h ILE 161 Ca 0.08 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.97 1av8 h ILE 161 Cb 0.45 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1av8 h ILE 161 CO 0.02 0.00 -0.20 -0.08 0.00 0.00 0.00 178.15 177.89 1av8 h GLU 162 N -0.65 -0.30 -0.01 2.37 4.81 -1.15 -0.81 114.58 118.84 1av8 h GLU 162 Ca -0.00 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1av8 h GLU 162 Cb 0.62 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 1av8 h GLU 162 CO -0.12 -0.20 -0.09 1.98 -0.73 0.00 0.00 179.01 179.85 1av8 h MET 163 N -0.31 0.02 -0.40 1.92 4.05 -1.18 -1.90 114.93 117.13 1av8 h MET 163 Ca 0.06 -0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.38 1av8 h MET 163 Cb 0.39 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.18 1av8 h MET 163 CO -0.19 0.11 -0.12 1.15 0.23 0.00 0.00 176.91 178.09 1av8 h THR 164 N 0.02 1.28 -0.20 -0.77 2.02 0.02 -2.29 112.91 112.98 1av8 h THR 164 Ca 0.00 -1.23 0.03 0.00 0.77 0.00 0.00 66.41 65.99 1av8 h THR 164 Cb 0.18 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 1av8 h THR 164 CO 0.01 0.41 0.03 0.28 0.37 0.00 0.00 175.52 176.62 1av8 h SER 165 N 0.61 -0.01 0.17 4.18 0.02 -0.39 -0.81 113.55 117.31 1av8 h SER 165 Ca 0.10 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.10 1av8 h SER 165 Cb 0.65 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.21 1av8 h SER 165 CO 0.04 0.02 -0.33 1.88 -1.14 0.00 0.00 176.83 177.30 1av8 h TYR 166 N 0.11 -0.91 -0.98 3.45 0.05 -1.37 -1.36 116.97 115.96 1av8 h TYR 166 Ca 0.09 0.02 0.12 0.00 0.05 0.00 0.00 58.73 59.01 1av8 h TYR 166 Cb 0.09 0.38 -0.09 0.00 1.01 0.00 0.00 36.73 38.13 1av8 h TYR 166 CO -0.15 -0.45 0.60 2.35 -1.05 0.00 0.00 178.16 179.46 1av8 h TRP 167 N -0.59 1.09 -0.04 4.88 7.01 -1.11 0.32 115.95 127.50 1av8 h TRP 167 Ca 0.02 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 1av8 h TRP 167 Cb 0.60 -0.34 -0.00 0.00 -2.10 0.00 0.00 29.16 27.32 1av8 h TRP 167 CO -0.27 0.41 -0.02 0.45 -2.79 0.00 0.00 178.44 176.22 1av8 h HIS 168 N 0.93 0.10 0.67 2.65 3.86 -0.77 -0.88 115.15 121.72 1av8 h HIS 168 Ca 0.49 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.64 1av8 h HIS 168 Cb 0.52 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 28.97 1av8 h HIS 168 CO -0.01 0.47 -0.32 -0.07 0.86 0.00 0.00 177.93 178.85 1av8 h LEU 169 N -0.30 -0.77 0.00 2.43 3.38 -0.64 -2.67 115.31 116.74 1av8 h LEU 169 Ca 0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1av8 h LEU 169 Cb 0.44 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1av8 h LEU 169 CO 0.01 -0.44 -0.80 0.18 0.09 0.00 0.00 178.44 177.48 1av8 n LEU 170 N -5.06 0.63 -0.50 1.67 4.77 0.11 -4.79 117.00 113.82 1av8 n LEU 170 Ca -0.11 -0.03 0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1av8 n LEU 170 Cb 0.36 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1av8 n LEU 170 CO 0.27 0.08 -0.11 0.61 -1.33 0.00 0.00 177.39 176.91 1av8 n GLY 171 N 1.42 -1.68 3.61 -0.72 0.00 -0.33 -4.93 105.19 102.56 1av8 n GLY 171 Ca 0.03 -1.39 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 1av8 n GLY 171 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1av8 s GLU 172 N -1.70 -0.54 0.00 1.61 2.12 -1.26 -4.71 118.70 114.23 1av8 s GLU 172 Ca 0.00 0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.62 1av8 s GLU 172 Cb 0.00 -1.64 0.00 0.00 0.26 0.00 0.00 34.13 32.75 1av8 s GLU 172 CO 0.00 -3.33 0.00 0.41 -0.54 0.00 0.00 175.26 171.80 1av8 n GLY 173 N -0.75 -0.30 3.76 -1.50 0.00 -0.30 -4.86 105.19 101.24 1av8 n GLY 173 Ca 0.08 -1.80 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 1av8 n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1av8 s THR 174 N -1.54 4.16 0.20 2.61 2.01 -1.26 -2.07 115.64 119.74 1av8 s THR 174 Ca 0.00 1.97 0.00 0.00 0.31 0.00 0.00 61.69 63.97 1av8 s THR 174 Cb 0.00 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 1av8 s THR 174 CO 0.00 0.47 0.08 -1.00 -0.69 0.00 0.00 174.62 173.48 1av8 s HIS 175 N -1.21 1.23 -0.18 4.92 3.76 0.10 -4.99 115.29 118.92 1av8 s HIS 175 Ca 0.41 -1.23 -0.00 0.00 -0.15 0.00 0.00 55.06 54.09 1av8 s HIS 175 Cb -0.25 -0.68 0.01 0.00 1.11 0.00 0.00 32.58 32.78 1av8 s HIS 175 CO 0.30 -0.45 -0.16 0.99 -0.85 0.00 0.00 174.74 174.57 1av8 s THR 176 N -3.92 2.43 -0.27 1.30 2.01 -1.26 -1.04 115.64 114.89 1av8 s THR 176 Ca 0.33 -0.82 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 1av8 s THR 176 Cb 0.07 -2.04 0.08 0.00 0.01 0.00 0.00 72.50 70.62 1av8 s THR 176 CO 0.09 0.51 0.04 -0.69 -0.69 0.00 0.00 174.62 173.88 1av8 s VAL 177 N 1.24 1.07 -1.50 3.82 1.01 0.57 -4.73 120.40 121.88 1av8 s VAL 177 Ca 0.03 -1.23 -0.06 0.00 0.00 0.00 0.00 61.98 60.72 1av8 s VAL 177 Cb -0.14 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.63 1av8 s VAL 177 CO -0.08 -0.41 0.69 0.59 0.00 0.00 0.00 175.10 175.89 1av8 n ASN 178 N 4.80 -5.82 0.00 3.32 3.02 -1.26 -2.31 115.26 117.01 1av8 n ASN 178 Ca -0.06 -0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 1av8 n ASN 178 Cb 0.44 -4.69 0.00 0.00 -0.61 0.00 0.00 39.78 34.91 1av8 n ASN 178 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1av8 n GLY 179 N -1.56 2.57 3.58 7.41 0.00 -1.26 -5.02 105.19 110.90 1av8 n GLY 179 Ca -0.08 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 1av8 n GLY 179 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1av8 n LYS 180 N 0.00 1.22 -3.55 1.61 4.76 -0.98 -4.88 118.16 116.34 1av8 n LYS 180 Ca 0.00 0.44 -0.38 0.00 -2.87 0.00 0.00 58.31 55.49 1av8 n LYS 180 Cb 0.00 -1.87 -0.11 0.00 -1.84 0.00 0.00 35.03 31.22 1av8 n LYS 180 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1av8 s THR 181 N -1.21 5.29 -0.12 -0.18 2.01 -1.26 -0.32 115.64 119.85 1av8 s THR 181 Ca 0.61 0.23 -0.01 0.00 0.31 0.00 0.00 61.69 62.84 1av8 s THR 181 Cb -0.63 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 1av8 s THR 181 CO 0.58 0.23 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.95 1av8 s VAL 182 N 1.81 3.30 -0.23 3.82 1.01 -0.21 -4.94 120.40 124.96 1av8 s VAL 182 Ca 0.08 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 1av8 s VAL 182 Cb -0.16 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 1av8 s VAL 182 CO 0.11 0.53 -0.01 -0.89 0.00 0.00 0.00 175.10 174.84 1av8 s THR 183 N 0.15 3.66 -0.32 3.92 2.01 -1.26 0.02 115.64 123.83 1av8 s THR 183 Ca -0.05 -0.40 -0.10 0.00 0.31 0.00 0.00 61.69 61.45 1av8 s THR 183 Cb -0.15 -2.68 -0.01 0.00 0.01 0.00 0.00 72.50 69.68 1av8 s THR 183 CO 0.04 0.40 0.16 -0.69 -0.69 0.00 0.00 174.62 173.85 1av8 s VAL 184 N 1.49 4.68 -0.08 3.82 1.01 -0.88 -5.00 120.40 125.44 1av8 s VAL 184 Ca 0.06 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.67 1av8 s VAL 184 Cb -0.14 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1av8 s VAL 184 CO -0.01 0.05 -0.22 -0.55 0.00 0.00 0.00 175.10 174.37 1av8 s SER 185 N 1.62 3.31 0.19 3.32 0.15 -1.26 -1.14 113.70 119.89 1av8 s SER 185 Ca 0.05 -0.47 -0.06 0.00 0.70 0.00 0.00 55.95 56.17 1av8 s SER 185 Cb -0.17 -1.15 0.12 0.00 -1.71 0.00 0.00 66.02 63.11 1av8 s SER 185 CO 0.07 0.21 1.57 0.25 1.20 0.00 0.00 173.24 176.54 1av8 h LEU 186 N 6.31 0.81 -0.55 3.45 5.85 -1.98 -1.25 115.31 127.95 1av8 h LEU 186 Ca -0.28 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.05 1av8 h LEU 186 Cb 1.20 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1av8 h LEU 186 CO 0.49 1.06 0.12 -0.09 -0.34 0.00 0.00 178.44 179.68 1av8 h ARG 187 N 0.65 0.89 -0.57 1.25 2.43 -1.99 -0.46 114.38 116.59 1av8 h ARG 187 Ca 0.07 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1av8 h ARG 187 Cb 0.86 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 1av8 h ARG 187 CO 0.07 0.85 0.36 1.49 -1.51 0.00 0.00 179.97 181.23 1av8 h GLU 188 N 0.79 0.76 -0.66 0.20 4.57 -1.93 -1.77 114.58 116.54 1av8 h GLU 188 Ca 0.17 -0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.21 1av8 h GLU 188 Cb 0.37 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 1av8 h GLU 188 CO 0.01 0.52 0.08 1.25 -1.18 0.00 0.00 179.01 179.69 1av8 h LEU 189 N 0.77 1.07 -1.04 1.64 5.85 -1.04 -2.17 115.31 120.39 1av8 h LEU 189 Ca 0.21 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1av8 h LEU 189 Cb -0.06 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.64 1av8 h LEU 189 CO -0.04 1.07 0.60 0.11 -0.34 0.00 0.00 178.44 179.85 1av8 h LYS 190 N 1.03 1.25 -0.33 1.25 1.57 -0.64 -1.68 116.57 119.03 1av8 h LYS 190 Ca 0.20 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1av8 h LYS 190 Cb 0.47 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1av8 h LYS 190 CO 0.02 0.85 0.14 -0.22 -0.57 0.00 0.00 179.45 179.66 1av8 h LYS 191 N 1.28 0.49 -0.91 3.15 3.64 -0.91 -1.57 116.57 121.74 1av8 h LYS 191 Ca 0.34 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1av8 h LYS 191 Cb -0.12 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.58 1av8 h LYS 191 CO -0.07 0.48 0.58 0.87 -2.27 0.00 0.00 179.45 179.04 1av8 h LYS 192 N 0.39 1.22 -0.26 1.90 1.79 -0.93 0.85 116.57 121.52 1av8 h LYS 192 Ca 0.11 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 1av8 h LYS 192 Cb 0.17 -0.27 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 1av8 h LYS 192 CO -0.01 0.83 0.06 1.25 -1.08 0.00 0.00 179.45 180.49 1av8 h LEU 193 N 1.25 0.41 -0.46 2.94 5.85 -1.09 0.38 115.31 124.58 1av8 h LEU 193 Ca 0.33 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1av8 h LEU 193 Cb -0.10 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1av8 h LEU 193 CO -0.07 0.54 0.28 0.22 -0.34 0.00 0.00 178.44 179.08 1av8 h TYR 194 N 0.25 0.60 -0.32 1.25 3.20 -0.79 0.12 116.97 121.29 1av8 h TYR 194 Ca 0.08 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1av8 h TYR 194 Cb 0.30 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1av8 h TYR 194 CO 0.02 0.41 0.13 -0.07 -1.64 0.00 0.00 178.16 177.01 1av8 h LEU 195 N 0.62 0.44 -0.40 2.82 4.07 -0.72 -0.96 115.31 121.17 1av8 h LEU 195 Ca 0.17 -0.16 0.02 0.00 0.08 0.00 0.00 57.88 57.99 1av8 h LEU 195 Cb -0.02 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 41.58 1av8 h LEU 195 CO -0.03 0.48 0.22 0.00 -1.08 0.00 0.00 178.44 178.02 1av8 h LEU 197 N 0.45 1.11 -0.85 0.00 4.07 -0.55 -0.40 115.31 119.13 1av8 h LEU 197 Ca 0.16 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.07 1av8 h LEU 197 Cb 0.04 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.46 1av8 h LEU 197 CO -0.09 0.81 0.48 -0.03 -1.08 0.00 0.00 178.44 178.53 1av8 h MET 198 N 1.30 1.18 -0.52 1.13 4.05 -0.54 -0.95 114.93 120.57 1av8 h MET 198 Ca 0.35 -0.13 -0.10 0.00 -0.28 0.00 0.00 59.70 59.54 1av8 h MET 198 Cb -0.13 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 30.42 1av8 h MET 198 CO -0.07 0.86 -0.05 1.03 0.23 0.00 0.00 176.91 178.91 1av8 h SER 199 N 1.18 0.95 -0.19 1.39 0.87 -0.05 -2.04 113.55 115.66 1av8 h SER 199 Ca 0.30 -0.33 -0.09 0.00 -1.23 0.00 0.00 61.79 60.44 1av8 h SER 199 Cb 0.01 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 1av8 h SER 199 CO -0.05 1.05 -0.19 0.58 -0.53 0.00 0.00 176.83 177.70 1av8 h VAL 200 N 0.83 1.26 -0.57 2.23 2.07 -0.76 -0.79 116.25 120.52 1av8 h VAL 200 Ca 0.14 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1av8 h VAL 200 Cb 0.59 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1av8 h VAL 200 CO 0.04 0.40 0.27 -1.13 0.02 0.00 0.00 177.57 177.16 1av8 h ASN 201 N 0.55 0.75 -0.69 0.57 -1.24 -0.90 -2.00 115.58 112.62 1av8 h ASN 201 Ca 0.09 -0.13 -0.03 0.00 0.71 0.00 0.00 56.30 56.94 1av8 h ASN 201 Cb 0.63 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.45 1av8 h ASN 201 CO 0.04 0.67 0.33 0.00 -1.29 0.00 0.00 177.43 177.18 1av8 h ALA 202 N 1.11 0.89 0.20 1.57 0.00 -0.94 0.17 119.26 122.26 1av8 h ALA 202 Ca 0.19 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1av8 h ALA 202 Cb 0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1av8 h ALA 202 CO -0.02 0.45 -0.43 1.25 0.00 0.00 0.00 179.25 180.50 1av8 h LEU 203 N 0.96 -1.25 0.00 0.00 7.12 -0.63 0.20 115.31 121.71 1av8 h LEU 203 Ca 0.24 0.13 -0.22 0.00 0.13 0.00 0.00 57.88 58.16 1av8 h LEU 203 Cb 0.12 0.46 -0.03 0.00 -0.53 0.00 0.00 40.66 40.68 1av8 h LEU 203 CO -0.03 -0.52 -1.06 -0.33 -0.13 0.00 0.00 178.44 176.37 1av8 h GLU 204 N -0.72 0.00 0.00 1.25 5.08 -1.34 -1.91 114.58 116.94 1av8 h GLU 204 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1av8 h GLU 204 Cb 0.71 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1av8 h GLU 204 CO -0.20 0.94 -1.16 0.00 -1.00 0.00 0.00 179.01 177.58 1av8 h ALA 205 N 1.01 0.63 0.00 3.43 0.00 -0.66 -3.39 119.26 120.28 1av8 h ALA 205 Ca -0.04 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.00 1av8 h ALA 205 Cb 1.79 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1av8 h ALA 205 CO 0.12 1.02 -0.10 -0.89 0.00 0.00 0.00 179.25 179.40 1av8 n ILE 206 N -3.08 0.85 -0.12 0.00 5.41 0.01 -4.56 119.36 117.86 1av8 n ILE 206 Ca -0.06 0.27 -0.05 0.00 1.00 0.00 0.00 62.75 63.90 1av8 n ILE 206 Cb 0.87 -1.50 0.01 0.00 -0.71 0.00 0.00 39.64 38.31 1av8 n ILE 206 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1av8 h ARG 207 N -0.10 -0.13 -0.60 0.38 3.08 -1.25 -1.16 114.38 114.60 1av8 h ARG 207 Ca 0.00 0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1av8 h ARG 207 Cb 0.10 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1av8 h ARG 207 CO 0.00 -0.09 0.12 0.74 -1.07 0.00 0.00 179.97 179.67 1av8 h PHE 208 N -0.14 1.01 -0.13 3.04 0.04 -1.55 -2.65 116.94 116.56 1av8 h PHE 208 Ca 0.20 -0.12 -0.03 0.00 2.80 0.00 0.00 57.97 60.82 1av8 h PHE 208 Cb 0.45 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1av8 h PHE 208 CO -0.45 0.85 -0.05 1.88 -0.60 0.00 0.00 178.31 179.93 1av8 h TYR 209 N 0.91 0.19 -0.48 -0.55 -1.99 -1.44 -0.94 116.97 112.67 1av8 h TYR 209 Ca 0.19 -0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.83 1av8 h TYR 209 Cb 0.37 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.02 1av8 h TYR 209 CO 0.02 0.25 -0.02 0.28 -0.00 0.00 0.00 178.16 178.70 1av8 h VAL 210 N 0.19 1.26 -0.21 -2.88 2.07 -0.94 -2.74 116.25 113.01 1av8 h VAL 210 Ca 0.04 -1.09 -0.11 0.00 0.82 0.00 0.00 66.70 66.36 1av8 h VAL 210 Cb 0.22 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1av8 h VAL 210 CO 0.01 0.38 -0.36 0.77 0.02 0.00 0.00 177.57 178.39 1av8 h SER 211 N 0.70 0.47 -0.65 0.57 4.64 -1.12 -2.44 113.55 115.72 1av8 h SER 211 Ca 0.13 -0.19 0.04 0.00 -0.47 0.00 0.00 61.79 61.30 1av8 h SER 211 Cb 0.53 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 62.46 1av8 h SER 211 CO 0.03 0.79 0.43 -0.26 -0.87 0.00 0.00 176.83 176.95 1av8 h PHE 212 N 0.38 0.72 -0.75 4.77 0.04 -1.04 -0.56 116.94 120.51 1av8 h PHE 212 Ca 0.04 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1av8 h PHE 212 Cb 0.81 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.69 1av8 h PHE 212 CO 0.03 0.41 0.48 0.00 -0.60 0.00 0.00 178.31 178.62 1av8 h ALA 213 N 1.63 0.95 -0.02 2.45 0.00 -1.14 0.21 119.26 123.35 1av8 h ALA 213 Ca 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1av8 h ALA 213 Cb 0.14 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1av8 h ALA 213 CO -0.08 0.40 -0.01 0.00 0.00 0.00 0.00 179.25 179.56 1av8 h SER 215 N -0.39 -0.35 0.71 0.00 0.02 -0.94 -2.03 113.55 110.58 1av8 h SER 215 Ca 0.00 0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 1av8 h SER 215 Cb 0.47 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 1av8 h SER 215 CO 0.00 -0.13 -0.40 -0.26 -1.14 0.00 0.00 176.83 174.91 1av8 h PHE 216 N -0.01 0.00 -0.79 3.45 0.04 -0.56 -2.87 116.94 116.20 1av8 h PHE 216 Ca 0.17 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.99 1av8 h PHE 216 Cb 0.27 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.37 1av8 h PHE 216 CO -0.33 0.40 0.52 0.00 -0.60 0.00 0.00 178.31 178.30 1av8 h ALA 217 N 1.60 1.59 -0.16 2.45 0.00 -0.37 -0.65 119.26 123.72 1av8 h ALA 217 Ca -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1av8 h ALA 217 Cb 0.86 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1av8 h ALA 217 CO 0.05 0.31 -0.08 0.74 0.00 0.00 0.00 179.25 180.27 1av8 h PHE 218 N 0.90 0.39 -0.69 0.00 0.04 -1.41 -3.02 116.94 113.15 1av8 h PHE 218 Ca 0.33 -0.10 0.11 0.00 2.80 0.00 0.00 57.97 61.11 1av8 h PHE 218 Cb 0.16 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.18 1av8 h PHE 218 CO -0.00 0.65 0.46 0.00 -0.60 0.00 0.00 178.31 178.82 1av8 h ALA 219 N 0.68 1.96 -0.32 2.45 0.00 -1.21 0.17 119.26 122.98 1av8 h ALA 219 Ca 0.04 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1av8 h ALA 219 Cb 0.55 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1av8 h ALA 219 CO 0.02 -0.11 0.21 0.93 0.00 0.00 0.00 179.25 180.31 1av8 h GLU 220 N 0.51 0.36 -0.20 0.00 4.39 -1.03 0.61 114.58 119.22 1av8 h GLU 220 Ca 0.32 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.00 1av8 h GLU 220 Cb 0.57 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1av8 h GLU 220 CO -0.10 0.24 0.00 0.54 -1.16 0.00 0.00 179.01 178.52 1av8 n ARG 221 N -4.49 1.64 -3.20 2.33 1.74 0.57 -4.92 116.66 110.33 1av8 n ARG 221 Ca 0.02 -0.97 -0.20 0.00 -0.77 0.00 0.00 57.85 55.93 1av8 n ARG 221 Cb 0.11 -1.32 0.05 0.00 -1.02 0.00 0.00 32.46 30.28 1av8 n ARG 221 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1av8 n GLU 222 N 0.22 -5.69 -4.72 5.56 1.02 0.21 -5.02 120.64 112.21 1av8 n GLU 222 Ca 0.14 0.77 -0.30 0.00 -0.02 0.00 0.00 57.16 57.75 1av8 n GLU 222 Cb 0.27 -5.47 -0.14 0.00 -0.02 0.00 0.00 31.44 26.08 1av8 n GLU 222 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1av8 s LEU 223 N -6.26 2.23 -1.35 -4.62 1.43 -1.05 -4.72 118.68 104.35 1av8 s LEU 223 Ca 0.39 -0.65 -0.05 0.00 -1.03 0.00 0.00 54.13 52.80 1av8 s LEU 223 Cb -0.17 -1.27 0.02 0.00 0.03 0.00 0.00 46.19 44.80 1av8 s LEU 223 CO 0.49 0.23 0.94 0.23 0.23 0.00 0.00 176.35 178.46 1av8 n MET 224 N 1.47 -6.10 0.25 1.70 2.81 -1.26 -3.22 117.12 112.77 1av8 n MET 224 Ca -0.17 0.71 0.17 0.00 -1.81 0.00 0.00 57.70 56.60 1av8 n MET 224 Cb 0.52 -5.56 0.73 0.00 -0.71 0.00 0.00 33.22 28.21 1av8 n MET 224 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1av8 h GLU 225 N -2.10 0.00 0.01 0.03 5.08 -1.94 -1.40 114.58 114.26 1av8 h GLU 225 Ca -0.59 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.73 1av8 h GLU 225 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1av8 h GLU 225 CO 0.57 0.00 -0.16 0.78 -1.00 0.00 0.00 179.01 179.20 1av8 h GLY 226 N 1.61 0.10 0.85 -3.84 0.00 -1.90 -2.45 103.07 97.45 1av8 h GLY 226 Ca 0.00 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.19 1av8 h GLY 226 CO 0.00 0.17 0.60 -0.57 0.00 0.00 0.00 176.54 176.75 1av8 h ASN 227 N -0.70 0.95 -0.43 0.19 -0.73 -1.82 -1.99 115.58 111.05 1av8 h ASN 227 Ca -0.02 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.15 1av8 h ASN 227 Cb 0.99 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 39.36 1av8 h ASN 227 CO 0.03 0.62 0.27 0.00 -0.37 0.00 0.00 177.43 177.98 1av8 h ALA 228 N 1.49 0.54 -0.73 1.57 0.00 -1.26 0.79 119.26 121.66 1av8 h ALA 228 Ca 0.39 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1av8 h ALA 228 Cb 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1av8 h ALA 228 CO -0.14 0.01 0.45 0.87 0.00 0.00 0.00 179.25 180.43 1av8 h LYS 229 N 0.57 0.98 0.20 0.00 1.57 -0.87 -1.40 116.57 117.62 1av8 h LYS 229 Ca 0.15 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1av8 h LYS 229 Cb -0.04 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.06 1av8 h LYS 229 CO -0.03 0.68 -0.10 0.82 -0.57 0.00 0.00 179.45 180.25 1av8 h ILE 230 N 1.00 0.87 -0.41 1.86 2.04 -1.01 -2.75 117.51 119.11 1av8 h ILE 230 Ca 0.26 -0.86 0.10 0.00 1.00 0.00 0.00 64.86 65.36 1av8 h ILE 230 Cb -0.06 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1av8 h ILE 230 CO -0.05 0.18 0.29 0.40 0.00 0.00 0.00 178.15 178.96 1av8 h ILE 231 N -0.73 0.85 -0.05 -0.67 1.08 -0.73 -0.04 117.51 117.21 1av8 h ILE 231 Ca -0.03 -0.04 -0.00 0.00 -0.39 0.00 0.00 64.86 64.40 1av8 h ILE 231 Cb 0.50 0.73 -0.00 0.00 -3.07 0.00 0.00 36.82 34.98 1av8 h ILE 231 CO 0.04 0.02 0.02 -0.09 -0.69 0.00 0.00 178.15 177.46 1av8 h ARG 232 N 0.11 0.08 -0.75 2.37 2.43 -1.20 0.15 114.38 117.57 1av8 h ARG 232 Ca 0.19 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1av8 h ARG 232 Cb 0.61 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 1av8 h ARG 232 CO -0.02 0.18 0.24 -0.07 -1.51 0.00 0.00 179.97 178.79 1av8 h LEU 233 N -0.04 1.09 -0.68 3.80 3.38 -0.79 -1.68 115.31 120.38 1av8 h LEU 233 Ca 0.02 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1av8 h LEU 233 Cb 0.13 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1av8 h LEU 233 CO -0.00 1.01 0.32 0.40 0.09 0.00 0.00 178.44 180.26 1av8 h ILE 234 N 1.12 1.23 -0.70 1.22 2.04 -0.80 -2.54 117.51 119.08 1av8 h ILE 234 Ca 0.24 -0.65 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 1av8 h ILE 234 Cb 0.30 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1av8 h ILE 234 CO -0.01 0.27 0.16 0.00 0.00 0.00 0.00 178.15 178.57 1av8 h ALA 235 N 1.15 0.94 -0.89 1.87 0.00 -0.39 0.21 119.26 122.15 1av8 h ALA 235 Ca 0.23 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1av8 h ALA 235 Cb 0.13 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 1av8 h ALA 235 CO -0.03 0.67 0.58 -0.09 0.00 0.00 0.00 179.25 180.38 1av8 h ARG 236 N 1.07 0.88 -0.02 0.00 2.43 -1.08 -1.23 114.38 116.43 1av8 h ARG 236 Ca 0.22 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1av8 h ARG 236 Cb 0.39 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1av8 h ARG 236 CO 0.01 0.58 -0.17 -0.44 -1.51 0.00 0.00 179.97 178.44 1av8 h ASP 237 N 0.91 0.19 -0.79 -3.80 3.32 -0.95 -3.26 116.42 112.03 1av8 h ASP 237 Ca 0.41 -0.69 0.16 0.00 0.02 0.00 0.00 57.03 56.93 1av8 h ASP 237 Cb 0.36 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 1av8 h ASP 237 CO -0.17 0.85 0.53 -0.08 -1.72 0.00 0.00 179.24 178.65 1av8 h GLU 238 N -0.46 0.40 -0.95 3.56 4.57 0.07 0.74 114.58 122.50 1av8 h GLU 238 Ca -0.01 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.19 1av8 h GLU 238 Cb 0.85 -0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 29.29 1av8 h GLU 238 CO 0.03 0.26 0.62 0.00 -1.18 0.00 0.00 179.01 178.74 1av8 h ALA 239 N 1.63 1.28 -0.33 2.92 0.00 -1.29 -1.26 119.26 122.21 1av8 h ALA 239 Ca 0.39 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 1av8 h ALA 239 Cb 0.93 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1av8 h ALA 239 CO -0.13 0.46 -0.18 -0.07 0.00 0.00 0.00 179.25 179.33 1av8 h LEU 240 N 1.17 0.73 -0.35 0.00 3.38 -0.97 -2.66 115.31 116.62 1av8 h LEU 240 Ca 0.39 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1av8 h LEU 240 Cb 0.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1av8 h LEU 240 CO -0.14 0.99 0.16 0.45 0.09 0.00 0.00 178.44 179.98 1av8 h HIS 241 N 0.48 0.29 -0.13 1.13 3.86 -0.65 -0.98 115.15 119.15 1av8 h HIS 241 Ca 0.07 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.18 1av8 h HIS 241 Cb 0.72 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.10 1av8 h HIS 241 CO 0.06 0.14 -0.45 1.37 0.86 0.00 0.00 177.93 179.92 1av8 h LEU 242 N 0.33 0.32 -1.07 2.43 -0.00 -1.29 -2.16 115.31 113.87 1av8 h LEU 242 Ca 0.15 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1av8 h LEU 242 Cb 0.08 -0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 40.61 1av8 h LEU 242 CO -0.12 0.73 0.57 0.74 -0.00 0.00 0.00 178.44 180.37 1av8 h THR 243 N 0.25 1.24 0.26 0.15 2.02 -1.06 -0.16 112.91 115.61 1av8 h THR 243 Ca 0.02 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 1av8 h THR 243 Cb 0.89 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1av8 h THR 243 CO 0.07 0.24 -0.15 1.23 0.37 0.00 0.00 175.52 177.29 1av8 h GLY 244 N 1.24 -0.40 2.00 2.16 0.00 -0.56 -1.95 103.07 105.56 1av8 h GLY 244 Ca 0.33 0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.75 1av8 h GLY 244 CO -0.07 -0.15 -0.32 -0.91 0.00 0.00 0.00 176.54 175.09 1av8 h THR 245 N -0.39 0.97 -0.13 4.70 1.35 -1.19 -2.24 112.91 115.98 1av8 h THR 245 Ca -0.03 -1.23 -0.02 0.00 -0.55 0.00 0.00 66.41 64.59 1av8 h THR 245 Cb 0.31 1.71 -0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1av8 h THR 245 CO 0.04 0.32 0.01 1.56 -0.25 0.00 0.00 175.52 177.20 1av8 h GLN 246 N 0.00 0.21 -0.90 4.72 4.20 -0.78 -1.07 115.11 121.49 1av8 h GLN 246 Ca -0.00 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.66 1av8 h GLN 246 Cb 0.69 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.40 1av8 h GLN 246 CO 0.04 0.42 0.59 0.45 -0.67 0.00 0.00 178.83 179.67 1av8 h HIS 247 N -0.02 1.12 -0.04 2.96 3.86 -1.10 0.22 115.15 122.15 1av8 h HIS 247 Ca 0.04 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1av8 h HIS 247 Cb 0.32 -0.38 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 1av8 h HIS 247 CO 0.02 0.70 0.02 0.52 0.86 0.00 0.00 177.93 180.05 1av8 h MET 248 N 1.20 0.07 -0.46 2.45 2.86 -1.22 0.12 114.93 119.94 1av8 h MET 248 Ca 0.33 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.95 1av8 h MET 248 Cb -0.12 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1av8 h MET 248 CO -0.08 0.21 0.27 -0.07 1.06 0.00 0.00 176.91 178.30 1av8 h LEU 249 N -0.09 0.57 -0.41 1.22 3.38 -0.65 -1.27 115.31 118.05 1av8 h LEU 249 Ca 0.01 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1av8 h LEU 249 Cb 0.17 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1av8 h LEU 249 CO -0.00 0.47 -0.01 0.78 0.09 0.00 0.00 178.44 179.77 1av8 h ASN 250 N 0.62 0.72 -0.71 -0.43 2.35 -0.41 -0.77 115.58 116.95 1av8 h ASN 250 Ca 0.17 -0.31 -0.04 0.00 -0.55 0.00 0.00 56.30 55.56 1av8 h ASN 250 Cb 0.01 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 1av8 h ASN 250 CO -0.03 0.86 0.30 -0.07 -1.65 0.00 0.00 177.43 176.84 1av8 h LEU 251 N 0.56 0.98 -0.13 1.61 3.38 -0.61 -1.27 115.31 119.83 1av8 h LEU 251 Ca 0.12 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1av8 h LEU 251 Cb 0.50 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1av8 h LEU 251 CO 0.02 0.86 0.02 -0.07 0.09 0.00 0.00 178.44 179.37 1av8 h LEU 252 N 1.05 0.21 -0.25 1.67 3.38 -0.91 -3.13 115.31 117.32 1av8 h LEU 252 Ca 0.25 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1av8 h LEU 252 Cb 0.18 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1av8 h LEU 252 CO -0.02 0.41 -0.25 0.08 0.09 0.00 0.00 178.44 178.74 1av8 h ARG 253 N -0.00 0.00 0.00 1.13 0.11 -1.05 -2.90 114.38 111.66 1av8 h ARG 253 Ca 0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.12 1av8 h ARG 253 Cb 0.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.37 1av8 h ARG 253 CO 0.00 0.25 0.00 0.66 0.10 0.00 0.00 179.97 180.99 1av8 h SER 254 N 0.00 0.00 0.00 0.08 4.64 -1.23 -3.40 113.55 113.64 1av8 h SER 254 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1av8 h SER 254 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1av8 h SER 254 CO 0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1av8 n GLY 255 N 0.07 1.91 0.32 -0.77 0.00 -1.12 -4.88 105.19 100.72 1av8 n GLY 255 Ca 0.01 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.21 1av8 n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1av8 h ALA 256 N 0.00 1.41 -3.00 4.61 0.00 -1.84 -3.30 119.26 117.15 1av8 h ALA 256 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1av8 h ALA 256 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1av8 h ALA 256 CO 0.00 -0.07 0.00 -3.47 0.00 0.00 0.00 179.25 175.71 1av8 n ASP 257 N -3.56 0.00 -4.31 0.00 2.03 -1.24 -4.98 116.55 104.49 1av8 n ASP 257 Ca -0.02 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.94 1av8 n ASP 257 Cb 0.14 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.40 1av8 n ASP 257 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1av8 s ASP 258 N -1.00 4.28 0.34 1.67 2.15 -1.25 -4.95 116.67 117.91 1av8 s ASP 258 Ca 0.00 -0.40 0.03 0.00 0.43 0.00 0.00 52.55 52.61 1av8 s ASP 258 Cb 0.00 -1.73 0.63 0.00 -0.30 0.00 0.00 42.92 41.52 1av8 s ASP 258 CO 0.00 -0.02 1.97 -0.65 -0.17 0.00 0.00 175.17 176.30 1av8 h PRO 259 N 8.11 0.85 0.00 4.34 0.11 -1.92 -1.98 132.00 141.51 1av8 h PRO 259 Ca -0.42 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1av8 h PRO 259 Cb 1.16 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 1av8 h PRO 259 CO 0.60 0.56 -0.12 1.49 -0.21 0.00 0.00 178.00 180.33 1av8 h GLU 260 N 0.88 0.00 -0.42 1.05 4.81 -1.95 -2.44 114.58 116.52 1av8 h GLU 260 Ca 0.29 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.40 1av8 h GLU 260 Cb 0.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1av8 h GLU 260 CO -0.08 0.12 -0.24 0.52 -0.73 0.00 0.00 179.01 178.59 1av8 h MET 261 N 0.00 0.86 -0.34 1.92 2.86 -1.62 -1.58 114.93 117.04 1av8 h MET 261 Ca -0.00 -0.37 0.02 0.00 -2.06 0.00 0.00 59.70 57.29 1av8 h MET 261 Cb 0.21 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1av8 h MET 261 CO 0.02 1.01 0.23 0.00 1.06 0.00 0.00 176.91 179.22 1av8 h ALA 262 N 0.98 1.85 -0.02 6.32 0.00 -1.25 0.27 119.26 127.41 1av8 h ALA 262 Ca 0.10 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1av8 h ALA 262 Cb 0.79 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1av8 h ALA 262 CO 0.07 0.12 -0.53 1.49 0.00 0.00 0.00 179.25 180.39 1av8 h GLU 263 N 0.38 0.39 -0.85 0.00 4.81 -1.43 -2.73 114.58 115.15 1av8 h GLU 263 Ca 0.13 -0.40 -0.03 0.00 -0.13 0.00 0.00 59.36 58.94 1av8 h GLU 263 Cb 0.07 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 1av8 h GLU 263 CO -0.03 1.06 0.40 0.82 -0.73 0.00 0.00 179.01 180.54 1av8 h ILE 264 N -0.13 1.26 -0.86 2.32 1.08 -0.46 -1.29 117.51 119.44 1av8 h ILE 264 Ca -0.06 -0.73 0.03 0.00 -0.39 0.00 0.00 64.86 63.71 1av8 h ILE 264 Cb 1.24 0.18 -0.05 0.00 -3.07 0.00 0.00 36.82 35.11 1av8 h ILE 264 CO 0.11 0.31 0.55 0.00 -0.69 0.00 0.00 178.15 178.43 1av8 h ALA 265 N 1.23 1.12 -0.29 1.87 0.00 -0.52 -0.53 119.26 122.15 1av8 h ALA 265 Ca 0.29 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.99 1av8 h ALA 265 Cb 0.12 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1av8 h ALA 265 CO -0.04 0.41 -0.50 1.49 0.00 0.00 0.00 179.25 180.62 1av8 h GLU 266 N 1.09 0.80 -0.64 0.00 4.57 -1.11 -3.02 114.58 116.26 1av8 h GLU 266 Ca 0.34 -0.47 -0.09 0.00 -1.18 0.00 0.00 59.36 57.95 1av8 h GLU 266 Cb -0.02 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1av8 h GLU 266 CO -0.11 1.11 0.06 0.93 -1.18 0.00 0.00 179.01 179.82 1av8 h GLU 267 N 0.63 1.09 -0.66 1.92 5.08 -0.77 -3.12 114.58 118.74 1av8 h GLU 267 Ca 0.03 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1av8 h GLU 267 Cb 1.08 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1av8 h GLU 267 CO 0.11 1.02 0.00 0.00 -1.00 0.00 0.00 179.01 179.14 1av8 h LYS 269 N 2.35 -0.33 -0.14 0.00 1.63 -1.46 -1.14 116.57 117.47 1av8 h LYS 269 Ca 0.00 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1av8 h LYS 269 Cb 1.12 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 1av8 h LYS 269 CO 0.20 -0.22 0.05 0.37 -3.45 0.00 0.00 179.45 176.40 1av8 h GLN 270 N -0.34 0.22 -1.00 1.90 5.75 -1.86 -2.15 115.11 117.63 1av8 h GLN 270 Ca 0.09 -0.04 0.12 0.00 -0.15 0.00 0.00 58.65 58.67 1av8 h GLN 270 Cb 0.48 -0.03 -0.09 0.00 1.07 0.00 0.00 27.48 28.91 1av8 h GLN 270 CO -0.30 0.33 0.63 1.49 -2.65 0.00 0.00 178.83 178.33 1av8 h GLU 271 N 0.06 0.97 -0.42 1.69 4.81 -1.82 0.12 114.58 119.99 1av8 h GLU 271 Ca 0.05 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 1av8 h GLU 271 Cb 0.20 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1av8 h GLU 271 CO -0.00 0.64 -0.16 0.00 -0.73 0.00 0.00 179.01 178.76 1av8 h TYR 273 N 0.66 0.60 -0.38 0.00 5.03 -0.54 -0.70 116.97 121.64 1av8 h TYR 273 Ca 0.10 -0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.30 1av8 h TYR 273 Cb 0.71 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.78 1av8 h TYR 273 CO 0.05 0.46 -0.12 -0.44 -1.32 0.00 0.00 178.16 176.80 1av8 h ASP 274 N 0.56 0.67 -0.08 -2.11 3.32 -0.97 -1.08 116.42 116.72 1av8 h ASP 274 Ca 0.15 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1av8 h ASP 274 Cb 0.07 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 1av8 h ASP 274 CO -0.02 0.81 0.05 0.25 -1.72 0.00 0.00 179.24 178.61 1av8 h LEU 275 N 0.62 0.10 -0.49 1.55 5.85 -0.76 0.24 115.31 122.41 1av8 h LEU 275 Ca 0.11 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1av8 h LEU 275 Cb 0.56 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1av8 h LEU 275 CO 0.04 0.09 0.08 -0.26 -0.34 0.00 0.00 178.44 178.05 1av8 h PHE 276 N 0.09 0.86 -0.34 1.25 -1.00 -0.91 -1.71 116.94 115.18 1av8 h PHE 276 Ca 0.03 -0.12 -0.06 0.00 2.81 0.00 0.00 57.97 60.63 1av8 h PHE 276 Cb 0.01 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.32 1av8 h PHE 276 CO -0.07 0.79 -0.05 0.28 -1.61 0.00 0.00 178.31 177.65 1av8 h VAL 277 N 0.68 1.22 -0.46 -0.55 2.07 -1.03 -1.13 116.25 117.06 1av8 h VAL 277 Ca 0.15 -0.91 -0.13 0.00 0.82 0.00 0.00 66.70 66.63 1av8 h VAL 277 Cb 0.39 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1av8 h VAL 277 CO 0.01 0.31 -0.22 -0.61 0.02 0.00 0.00 177.57 177.08 1av8 h GLN 278 N 0.52 0.93 -0.32 1.57 4.15 -0.22 -1.14 115.11 120.61 1av8 h GLN 278 Ca 0.10 -0.39 -0.00 0.00 0.77 0.00 0.00 58.65 59.13 1av8 h GLN 278 Cb 0.41 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 1av8 h GLN 278 CO 0.02 1.05 0.19 0.00 -1.93 0.00 0.00 178.83 178.16 1av8 h ALA 279 N 0.94 0.40 -0.78 3.38 0.00 -0.67 0.19 119.26 122.72 1av8 h ALA 279 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1av8 h ALA 279 Cb 0.78 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1av8 h ALA 279 CO 0.06 -0.10 0.41 0.00 0.00 0.00 0.00 179.25 179.63 1av8 h ALA 280 N 1.08 1.00 -0.20 0.00 0.00 -1.02 -0.88 119.26 119.24 1av8 h ALA 280 Ca 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1av8 h ALA 280 Cb 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1av8 h ALA 280 CO -0.02 0.53 0.06 0.37 0.00 0.00 0.00 179.25 180.19 1av8 h GLN 281 N 1.09 0.31 -0.68 0.00 5.75 -0.83 -1.02 115.11 119.73 1av8 h GLN 281 Ca 0.27 -0.07 0.10 0.00 -0.15 0.00 0.00 58.65 58.80 1av8 h GLN 281 Cb 0.06 -0.04 -0.07 0.00 1.07 0.00 0.00 27.48 28.50 1av8 h GLN 281 CO -0.04 0.41 0.31 1.96 -2.65 0.00 0.00 178.83 178.82 1av8 h GLN 282 N 0.14 0.52 -0.03 1.69 4.20 -0.64 0.10 115.11 121.10 1av8 h GLN 282 Ca 0.06 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 1av8 h GLN 282 Cb 0.23 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1av8 h GLN 282 CO -0.00 0.34 -0.22 0.93 -0.67 0.00 0.00 178.83 179.21 1av8 h GLU 283 N 0.53 0.04 -0.09 1.46 4.39 -0.82 -0.85 114.58 119.24 1av8 h GLU 283 Ca 0.34 -0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.86 1av8 h GLU 283 Cb 0.38 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1av8 h GLU 283 CO -0.29 0.26 -0.67 0.87 -1.16 0.00 0.00 179.01 178.03 1av8 h LYS 284 N 0.04 0.38 0.00 2.33 1.57 0.49 -2.33 116.57 119.05 1av8 h LYS 284 Ca 0.01 -0.29 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 1av8 h LYS 284 Cb 0.41 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1av8 h LYS 284 CO 0.03 0.91 -0.47 -0.44 -0.57 0.00 0.00 179.45 178.91 1av8 h ASP 285 N 0.27 0.00 -0.42 0.86 3.32 -0.59 -2.92 116.42 116.94 1av8 h ASP 285 Ca -0.02 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 1av8 h ASP 285 Cb 1.22 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 1av8 h ASP 285 CO 0.11 0.47 0.01 -0.25 -1.72 0.00 0.00 179.24 177.86 1av8 h TRP 286 N 0.00 0.79 -0.05 4.55 2.91 -0.94 -2.32 115.95 120.89 1av8 h TRP 286 Ca -0.00 -0.13 0.00 0.00 1.13 0.00 0.00 58.89 59.89 1av8 h TRP 286 Cb 1.08 -0.21 -0.00 0.00 -0.51 0.00 0.00 29.16 29.52 1av8 h TRP 286 CO 0.00 0.79 0.03 0.00 -1.03 0.00 0.00 178.44 178.23 1av8 h ALA 287 N 0.90 1.98 0.03 2.65 0.00 -1.25 0.14 119.26 123.70 1av8 h ALA 287 Ca 0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1av8 h ALA 287 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1av8 h ALA 287 CO 0.02 0.02 -0.01 0.22 0.00 0.00 0.00 179.25 179.50 1av8 h ASP 288 N 0.06 -0.03 -0.46 0.00 1.82 -1.27 -1.21 116.42 115.33 1av8 h ASP 288 Ca 0.02 -0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 56.49 1av8 h ASP 288 Cb 0.01 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.00 1av8 h ASP 288 CO -0.00 0.14 0.23 0.22 -1.61 0.00 0.00 179.24 178.22 1av8 h TYR 289 N -0.19 0.65 -0.89 0.28 3.20 -0.74 -0.93 116.97 118.35 1av8 h TYR 289 Ca -0.00 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.89 1av8 h TYR 289 Cb 0.18 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.19 1av8 h TYR 289 CO -0.02 0.51 0.58 1.25 -1.64 0.00 0.00 178.16 178.84 1av8 h LEU 290 N 0.60 0.92 -2.62 2.82 5.85 -0.64 -3.11 115.31 119.15 1av8 h LEU 290 Ca 0.16 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1av8 h LEU 290 Cb 0.09 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1av8 h LEU 290 CO -0.02 0.61 0.00 0.49 -0.34 0.00 0.00 178.44 179.18 1av8 n PHE 291 N -4.47 0.56 -0.30 1.25 3.72 -0.47 -4.39 117.46 113.36 1av8 n PHE 291 Ca 0.13 -0.41 0.21 0.00 -0.05 0.00 0.00 57.45 57.33 1av8 n PHE 291 Cb 0.15 -0.01 0.50 0.00 -0.94 0.00 0.00 39.48 39.18 1av8 n PHE 291 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1av8 h ARG 292 N 3.00 0.41 -0.37 -1.08 0.11 -1.10 0.10 114.38 115.44 1av8 h ARG 292 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1av8 h ARG 292 Cb 0.81 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.80 1av8 h ARG 292 CO 0.00 0.27 0.00 -0.25 0.10 0.00 0.00 179.97 180.09 1av8 n ASP 293 N -4.59 2.70 0.00 0.08 8.00 -1.26 -5.03 116.55 116.46 1av8 n ASP 293 Ca 0.23 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.82 1av8 n ASP 293 Cb 0.81 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 1av8 n ASP 293 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1av8 n GLY 294 N 1.34 3.33 0.00 0.44 0.00 0.02 -4.79 105.19 105.53 1av8 n GLY 294 Ca 0.18 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1av8 n GLY 294 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1av8 n SER 295 N 0.00 0.81 -4.00 1.61 3.41 -1.26 -4.63 113.62 109.57 1av8 n SER 295 Ca 0.00 -0.51 -0.11 0.00 -0.26 0.00 0.00 58.87 57.99 1av8 n SER 295 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1av8 n SER 295 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1av8 s MET 296 N 0.04 1.45 0.07 4.33 0.23 -1.05 -4.93 119.30 119.45 1av8 s MET 296 Ca 0.00 -1.47 -0.32 0.00 -1.03 0.00 0.00 55.69 52.87 1av8 s MET 296 Cb 0.00 0.38 -0.11 0.00 -1.53 0.00 0.00 34.83 33.57 1av8 s MET 296 CO 0.00 -0.56 1.83 -0.89 -2.03 0.00 0.00 175.02 173.38 1av8 n ILE 297 N -0.36 0.42 -0.46 3.16 5.41 -1.26 -1.87 119.36 124.40 1av8 n ILE 297 Ca 0.00 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.68 1av8 n ILE 297 Cb 0.64 -2.03 0.00 0.00 -0.71 0.00 0.00 39.64 37.54 1av8 n ILE 297 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1av8 n GLY 298 N 4.21 1.22 3.63 7.39 0.00 -1.26 -4.93 105.19 115.45 1av8 n GLY 298 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1av8 n GLY 298 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1av8 s LEU 299 N 0.00 -0.74 0.00 0.99 2.96 -0.78 -5.03 118.68 116.07 1av8 s LEU 299 Ca 0.00 1.39 -0.09 0.00 -0.22 0.00 0.00 54.13 55.21 1av8 s LEU 299 Cb 0.00 2.39 0.04 0.00 0.50 0.00 0.00 46.19 49.12 1av8 s LEU 299 CO 0.00 -0.24 0.59 -0.46 -1.32 0.00 0.00 176.35 174.92 1av8 n ASN 300 N 2.84 -1.69 -0.11 3.68 0.23 -1.26 -2.52 115.26 116.42 1av8 n ASN 300 Ca -0.15 -2.39 -0.05 0.00 -0.53 0.00 0.00 54.58 51.47 1av8 n ASN 300 Cb 0.56 2.88 0.01 0.00 -2.08 0.00 0.00 39.78 41.15 1av8 n ASN 300 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1av8 h LYS 301 N 0.00 -0.03 0.50 -3.83 1.63 -1.95 -1.05 116.57 111.84 1av8 h LYS 301 Ca -0.26 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.51 1av8 h LYS 301 Cb 1.01 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 1av8 h LYS 301 CO 0.34 -0.02 -0.24 -0.44 -3.45 0.00 0.00 179.45 175.64 1av8 h ASP 302 N -0.03 -0.57 -0.54 4.20 3.32 -1.97 -0.24 116.42 120.60 1av8 h ASP 302 Ca 0.19 -0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.30 1av8 h ASP 302 Cb 0.32 0.15 -0.08 0.00 0.22 0.00 0.00 39.33 39.94 1av8 h ASP 302 CO -0.42 -0.31 0.09 0.40 -1.72 0.00 0.00 179.24 177.28 1av8 h ILE 303 N -0.81 0.66 -0.36 0.35 1.08 -1.95 -0.32 117.51 116.15 1av8 h ILE 303 Ca -0.07 -0.07 -0.02 0.00 -0.39 0.00 0.00 64.86 64.31 1av8 h ILE 303 Cb 0.58 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 1av8 h ILE 303 CO 0.11 0.04 0.16 0.25 -0.69 0.00 0.00 178.15 178.02 1av8 h LEU 304 N 0.22 0.49 -1.35 1.44 5.85 -1.05 -2.00 115.31 118.90 1av8 h LEU 304 Ca 0.27 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1av8 h LEU 304 Cb 0.39 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1av8 h LEU 304 CO -0.38 0.50 0.21 0.00 -0.34 0.00 0.00 178.44 178.43 1av8 h GLN 306 N 0.65 1.15 -0.39 0.00 4.20 -0.64 -1.35 115.11 118.74 1av8 h GLN 306 Ca 0.16 -0.24 -0.11 0.00 0.06 0.00 0.00 58.65 58.53 1av8 h GLN 306 Cb 0.09 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 1av8 h GLN 306 CO -0.02 0.97 -0.19 -0.92 -0.67 0.00 0.00 178.83 178.00 1av8 h TYR 307 N 1.10 0.83 -0.30 2.96 3.20 -0.59 0.23 116.97 124.40 1av8 h TYR 307 Ca 0.24 -0.18 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1av8 h TYR 307 Cb 0.29 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1av8 h TYR 307 CO 0.02 0.88 0.19 0.28 -1.64 0.00 0.00 178.16 177.89 1av8 h VAL 308 N 0.66 1.05 -0.49 1.81 2.07 -0.57 -0.11 116.25 120.67 1av8 h VAL 308 Ca 0.10 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1av8 h VAL 308 Cb 0.68 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1av8 h VAL 308 CO 0.05 0.07 0.12 -0.33 0.02 0.00 0.00 177.57 177.50 1av8 h GLU 309 N 0.38 0.78 -0.02 1.57 5.08 -0.94 -1.33 114.58 120.10 1av8 h GLU 309 Ca 0.12 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1av8 h GLU 309 Cb -0.02 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 1av8 h GLU 309 CO -0.04 0.76 0.00 -0.92 -1.00 0.00 0.00 179.01 177.81 1av8 h TYR 310 N 0.67 0.01 -0.35 4.33 3.20 -0.65 -2.63 116.97 121.55 1av8 h TYR 310 Ca 0.15 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.89 1av8 h TYR 310 Cb 0.32 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1av8 h TYR 310 CO 0.02 0.00 -0.34 0.97 -1.64 0.00 0.00 178.16 177.17 1av8 h ILE 311 N 0.01 1.28 -0.84 1.81 6.09 -0.93 -3.11 117.51 121.83 1av8 h ILE 311 Ca 0.01 -1.50 0.02 0.00 -1.37 0.00 0.00 64.86 62.02 1av8 h ILE 311 Cb 0.00 1.37 -0.05 0.00 0.47 0.00 0.00 36.82 38.62 1av8 h ILE 311 CO -0.01 0.49 0.54 0.74 -3.07 0.00 0.00 178.15 176.85 1av8 h THR 312 N 0.66 1.16 0.14 2.19 2.02 -1.14 -1.16 112.91 116.78 1av8 h THR 312 Ca 0.07 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1av8 h THR 312 Cb 0.89 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1av8 h THR 312 CO 0.08 0.20 -0.14 0.78 0.37 0.00 0.00 175.52 176.80 1av8 h ASN 313 N 1.08 -0.38 -0.47 4.18 2.35 -1.40 -0.69 115.58 120.25 1av8 h ASN 313 Ca 0.33 0.04 0.04 0.00 -0.55 0.00 0.00 56.30 56.15 1av8 h ASN 313 Cb -0.04 0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 1av8 h ASN 313 CO -0.10 -0.22 0.24 0.40 -1.65 0.00 0.00 177.43 176.11 1av8 h ILE 314 N -0.31 0.97 -0.39 2.81 2.04 -1.43 -0.83 117.51 120.37 1av8 h ILE 314 Ca 0.01 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.65 1av8 h ILE 314 Cb 0.30 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1av8 h ILE 314 CO -0.04 0.09 0.03 0.03 0.00 0.00 0.00 178.15 178.26 1av8 h ARG 315 N 0.48 0.66 -0.68 2.37 2.47 -1.07 -2.50 114.38 116.11 1av8 h ARG 315 Ca 0.20 -0.19 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1av8 h ARG 315 Cb 0.10 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.32 1av8 h ARG 315 CO -0.14 0.73 0.43 0.52 0.56 0.00 0.00 179.97 182.07 1av8 h MET 316 N 0.49 0.91 -0.71 0.04 2.86 -0.82 -2.66 114.93 115.05 1av8 h MET 316 Ca 0.11 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 1av8 h MET 316 Cb 0.41 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 1av8 h MET 316 CO 0.01 0.63 0.25 0.37 1.06 0.00 0.00 176.91 179.24 1av8 h GLN 317 N 0.92 1.08 -0.54 1.72 5.75 -1.05 -1.20 115.11 121.78 1av8 h GLN 317 Ca 0.25 -0.21 0.16 0.00 -0.15 0.00 0.00 58.65 58.69 1av8 h GLN 317 Cb -0.06 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.30 1av8 h GLN 317 CO -0.05 0.91 0.39 0.00 -2.65 0.00 0.00 178.83 177.43 1av8 h ALA 318 N 1.12 2.50 -0.62 3.38 0.00 -1.08 0.50 119.26 125.04 1av8 h ALA 318 Ca 0.23 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.84 1av8 h ALA 318 Cb 0.25 0.04 -0.17 0.00 0.00 0.00 0.00 17.79 17.91 1av8 h ALA 318 CO -0.01 -0.65 0.23 1.33 0.00 0.00 0.00 179.25 180.15 1av8 n VAL 319 N -4.38 2.81 -3.42 0.00 0.24 -1.01 -4.96 118.33 107.62 1av8 n VAL 319 Ca 0.10 -2.22 -0.22 0.00 -2.04 0.00 0.00 64.34 59.96 1av8 n VAL 319 Cb 0.61 -0.37 0.07 0.00 -1.47 0.00 0.00 33.84 32.68 1av8 n VAL 319 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1av8 n GLY 320 N -0.93 -0.46 3.68 7.63 0.00 0.17 -5.00 105.19 110.28 1av8 n GLY 320 Ca 0.42 0.18 -0.24 0.00 0.00 0.00 0.00 46.02 46.39 1av8 n GLY 320 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1av8 s LEU 321 N -6.83 3.13 0.49 0.99 1.43 -0.49 -5.02 118.68 112.38 1av8 s LEU 321 Ca 0.50 -0.88 -0.20 0.00 -1.03 0.00 0.00 54.13 52.52 1av8 s LEU 321 Cb -0.22 -1.55 -0.08 0.00 0.03 0.00 0.00 46.19 44.37 1av8 s LEU 321 CO 0.62 -0.27 1.02 -1.81 0.23 0.00 0.00 176.35 176.14 1av8 s ASP 322 N -3.78 6.42 -0.22 2.29 1.01 -1.26 -4.07 116.67 117.05 1av8 s ASP 322 Ca 0.36 1.85 -0.27 0.00 0.71 0.00 0.00 52.55 55.20 1av8 s ASP 322 Cb -0.01 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.37 1av8 s ASP 322 CO 0.21 -0.73 0.94 -0.76 0.21 0.00 0.00 175.17 175.05 1av8 s LEU 323 N -3.57 4.11 0.05 1.23 1.02 -1.26 -4.83 118.68 115.42 1av8 s LEU 323 Ca 0.65 1.25 0.25 0.00 0.02 0.00 0.00 54.13 56.30 1av8 s LEU 323 Cb -0.14 -3.39 0.45 0.00 0.02 0.00 0.00 46.19 43.13 1av8 s LEU 323 CO 0.21 -0.58 1.38 -0.81 0.02 0.00 0.00 176.35 176.58 1av8 n PRO 324 N 6.02 0.12 -4.58 1.29 -0.04 -1.26 -4.98 135.00 131.57 1av8 n PRO 324 Ca 0.09 0.03 -0.27 0.00 -0.04 0.00 0.00 63.50 63.31 1av8 n PRO 324 Cb 0.47 -1.57 -0.11 0.00 -0.04 0.00 0.00 33.50 32.25 1av8 n PRO 324 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1av8 s PHE 325 N -3.07 2.46 0.63 0.54 0.08 -1.26 -5.12 117.98 112.23 1av8 s PHE 325 Ca 0.09 -0.60 -0.18 0.00 0.12 0.00 0.00 56.93 56.36 1av8 s PHE 325 Cb 0.16 -1.60 -0.02 0.00 -0.57 0.00 0.00 43.02 40.99 1av8 s PHE 325 CO 0.71 0.50 1.25 1.14 -0.10 0.00 0.00 175.22 178.71 1av8 s GLN 326 N -3.67 2.74 0.18 0.44 -2.07 -1.26 -4.98 119.66 111.05 1av8 s GLN 326 Ca 0.34 1.93 -0.20 0.00 -1.82 0.00 0.00 55.36 55.60 1av8 s GLN 326 Cb 0.07 -1.89 -0.08 0.00 -1.09 0.00 0.00 33.01 30.02 1av8 s GLN 326 CO 0.17 -1.42 0.70 0.95 -1.32 0.00 0.00 175.29 174.38 1av8 s THR 327 N -1.53 4.57 0.18 3.63 -4.23 -1.26 -4.88 115.64 112.12 1av8 s THR 327 Ca 0.80 1.34 -0.23 0.00 -1.18 0.00 0.00 61.69 62.41 1av8 s THR 327 Cb -0.33 -3.92 0.06 0.00 1.34 0.00 0.00 72.50 69.64 1av8 s THR 327 CO 0.37 0.33 0.70 0.00 -0.54 0.00 0.00 174.62 175.47 1av8 s ARG 328 N -1.67 1.39 0.73 3.99 1.70 -1.26 -5.16 118.95 118.67 1av8 s ARG 328 Ca 0.39 -0.63 -0.11 0.00 -0.47 0.00 0.00 55.73 54.90 1av8 s ARG 328 Cb -0.18 0.56 0.03 0.00 -0.57 0.00 0.00 34.95 34.79 1av8 s ARG 328 CO 0.22 -0.62 1.10 -1.54 -1.08 0.00 0.00 175.30 173.38 1av8 s SER 329 N -2.79 5.18 -0.13 -2.89 1.04 -1.26 -4.95 113.70 107.90 1av8 s SER 329 Ca 0.06 1.17 -0.34 0.00 0.48 0.00 0.00 55.95 57.31 1av8 s SER 329 Cb -0.03 -1.95 -0.12 0.00 0.10 0.00 0.00 66.02 64.03 1av8 s SER 329 CO -0.05 -1.52 1.92 -3.20 0.98 0.00 0.00 173.24 171.37 1av8 n ASN 330 N -3.13 3.30 0.21 7.02 2.85 -1.26 -4.87 115.26 119.39 1av8 n ASN 330 Ca 0.07 0.90 0.08 0.00 -0.11 0.00 0.00 54.58 55.52 1av8 n ASN 330 Cb 0.57 -1.36 0.44 0.00 1.24 0.00 0.00 39.78 40.67 1av8 n ASN 330 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1av8 h PRO 331 N 9.68 0.00 -2.12 1.20 0.13 -1.92 -3.31 132.00 135.66 1av8 h PRO 331 Ca -0.47 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.08 1av8 h PRO 331 Cb 1.28 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 32.00 1av8 h PRO 331 CO 0.96 0.29 -0.79 0.44 -0.23 0.00 0.00 178.00 178.66 1av8 n ILE 332 N -3.55 1.22 0.14 -3.56 -5.35 -1.26 -4.94 119.36 102.06 1av8 n ILE 332 Ca -0.01 -4.78 0.17 0.00 -0.27 0.00 0.00 62.75 57.86 1av8 n ILE 332 Cb 0.43 -1.99 0.75 0.00 -1.74 0.00 0.00 39.64 37.09 1av8 n ILE 332 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1av8 h PRO 333 N 4.05 0.00 0.00 6.28 0.13 -1.98 -2.41 132.00 138.06 1av8 h PRO 333 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1av8 h PRO 333 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1av8 h PRO 333 CO 0.69 0.00 0.11 0.11 -0.23 0.00 0.00 178.00 178.69 1av8 h TRP 334 N 0.00 0.00 0.00 1.56 5.08 -1.94 -1.50 115.95 119.15 1av8 h TRP 334 Ca 0.14 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.10 1av8 h TRP 334 Cb 0.62 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.78 1av8 h TRP 334 CO 0.00 0.00 -0.04 0.97 -1.28 0.00 0.00 178.44 178.09 1av8 h ILE 335 N 0.00 0.20 0.00 0.12 2.10 -1.86 -2.09 117.51 115.98 1av8 h ILE 335 Ca 0.00 -0.32 0.00 0.00 1.08 0.00 0.00 64.86 65.62 1av8 h ILE 335 Cb 0.22 1.25 0.00 0.00 -1.09 0.00 0.00 36.82 37.21 1av8 h ILE 335 CO 0.00 0.04 0.00 0.78 -1.08 0.00 0.00 178.15 177.89 1av8 h ASN 336 N 0.00 0.00 0.68 2.19 2.35 -1.51 -1.60 115.58 117.69 1av8 h ASN 336 Ca -0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1av8 h ASN 336 Cb 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1av8 h ASN 336 CO 0.01 0.00 -0.27 0.74 -1.65 0.00 0.00 177.43 176.25 1av8 h THR 337 N 0.00 0.76 0.00 2.81 2.02 -1.59 -3.18 112.91 113.74 1av8 h THR 337 Ca 0.00 -1.13 -0.11 0.00 0.77 0.00 0.00 66.41 65.94 1av8 h THR 337 Cb 0.46 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 1av8 h THR 337 CO 0.00 0.26 -2.10 0.79 0.37 0.00 0.00 175.52 174.84 1av8 n TRP 338 N -3.59 0.00 -2.90 3.16 7.02 -0.65 -4.99 117.44 115.49 1av8 n TRP 338 Ca -0.01 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.10 1av8 n TRP 338 Cb 0.41 -0.64 -0.06 0.00 -2.42 0.00 0.00 31.31 28.59 1av8 n TRP 338 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1av8 s LEU 339 N -4.79 4.38 0.00 -0.99 1.02 -0.93 -4.84 118.68 112.53 1av8 s LEU 339 Ca -0.08 1.70 0.00 0.00 0.02 0.00 0.00 54.13 55.76 1av8 s LEU 339 Cb 0.11 -3.79 0.00 0.00 0.02 0.00 0.00 46.19 42.53 1av8 s LEU 339 CO 0.87 0.00 0.00 0.52 0.02 0.00 0.00 176.35 177.76