#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6m s LYS 2 N 0.00 2.20 -0.02 3.17 1.02 -1.26 -4.73 119.74 120.12 1i6m s LYS 2 Ca 0.00 0.57 0.05 0.00 0.02 0.00 0.00 55.97 56.61 1i6m s LYS 2 Cb 0.00 -1.94 -0.03 0.00 -0.52 0.00 0.00 37.83 35.34 1i6m s LYS 2 CO 0.00 -1.52 -0.14 0.99 -0.92 0.00 0.00 175.35 173.75 1i6m s THR 3 N -3.22 3.05 0.00 2.17 2.01 -1.26 -0.76 115.64 117.63 1i6m s THR 3 Ca 0.60 -0.87 0.07 0.00 0.31 0.00 0.00 61.69 61.80 1i6m s THR 3 Cb -0.14 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.12 1i6m s THR 3 CO 0.53 0.49 -0.22 -0.63 -0.69 0.00 0.00 174.62 174.10 1i6m s ILE 4 N -0.82 1.75 0.02 1.82 1.01 0.21 -1.66 121.20 123.53 1i6m s ILE 4 Ca 0.13 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.79 1i6m s ILE 4 Cb -0.11 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1i6m s ILE 4 CO 0.03 0.42 -0.10 0.12 0.00 0.00 0.00 174.94 175.41 1i6m s PHE 5 N -0.60 0.86 -0.02 3.97 5.36 -1.03 -0.95 117.98 125.58 1i6m s PHE 5 Ca 0.09 -0.28 -0.29 0.00 -0.96 0.00 0.00 56.93 55.49 1i6m s PHE 5 Cb -0.09 -0.53 0.08 0.00 -0.34 0.00 0.00 43.02 42.15 1i6m s PHE 5 CO -0.00 -0.01 0.74 0.45 -1.46 0.00 0.00 175.22 174.94 1i6m s SER 6 N -0.78 -0.56 0.07 6.13 0.15 -0.71 -4.13 113.70 113.87 1i6m s SER 6 Ca -0.00 0.44 0.01 0.00 0.70 0.00 0.00 55.95 57.10 1i6m s SER 6 Cb -0.06 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.70 1i6m s SER 6 CO 0.00 -0.63 -0.05 -0.83 1.20 0.00 0.00 173.24 172.93 1i6m s GLY 7 N -1.61 0.62 -0.01 9.45 0.00 -1.26 -1.46 107.32 113.04 1i6m s GLY 7 Ca -0.05 -1.23 0.01 0.00 0.00 0.00 0.00 44.72 43.45 1i6m s GLY 7 CO 0.02 -1.33 -0.03 -0.42 0.00 0.00 0.00 173.10 171.33 1i6m s ILE 8 N -3.51 0.32 0.27 0.90 1.01 -0.61 -4.96 121.20 114.63 1i6m s ILE 8 Ca 0.08 -0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.31 1i6m s ILE 8 Cb 0.05 -0.31 -0.09 0.00 0.01 0.00 0.00 42.46 42.11 1i6m s ILE 8 CO -0.06 0.12 1.01 -1.10 0.00 0.00 0.00 174.94 174.91 1i6m s GLN 9 N 0.23 4.70 -0.12 2.79 -0.21 -1.26 -1.71 119.66 124.09 1i6m s GLN 9 Ca -0.02 1.60 -0.30 0.00 0.02 0.00 0.00 55.36 56.67 1i6m s GLN 9 Cb -0.05 -3.15 -0.01 0.00 1.00 0.00 0.00 33.01 30.79 1i6m s GLN 9 CO -0.00 0.33 1.09 -1.25 -2.12 0.00 0.00 175.29 173.34 1i6m s PRO 10 N -1.45 4.35 0.20 2.91 0.04 -1.26 -4.93 135.00 134.87 1i6m s PRO 10 Ca 0.44 1.49 -0.10 0.00 0.04 0.00 0.00 61.00 62.87 1i6m s PRO 10 Cb -0.27 -3.59 -0.01 0.00 0.04 0.00 0.00 34.50 30.67 1i6m s PRO 10 CO 0.35 -0.45 0.36 -1.54 0.04 0.00 0.00 177.00 175.76 1i6m s SER 11 N 1.31 -0.02 0.62 6.66 1.04 -1.26 -4.88 113.70 117.16 1i6m s SER 11 Ca 0.50 -0.91 0.39 0.00 0.48 0.00 0.00 55.95 56.42 1i6m s SER 11 Cb -0.20 0.50 2.03 0.00 0.10 0.00 0.00 66.02 68.45 1i6m s SER 11 CO 0.17 -0.99 2.24 1.23 0.98 0.00 0.00 173.24 176.86 1i6m h GLY 12 N 2.41 0.00 -6.67 7.32 0.00 -1.94 -3.41 103.07 100.79 1i6m h GLY 12 Ca -0.30 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.52 1i6m h GLY 12 CO 0.43 0.00 -0.80 0.14 0.00 0.00 0.00 176.54 176.31 1i6m s VAL 13 N -4.07 0.91 -0.19 4.60 1.01 -1.26 -5.09 120.40 116.31 1i6m s VAL 13 Ca -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1i6m s VAL 13 Cb 0.12 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1i6m s VAL 13 CO 0.47 0.35 -0.11 -0.63 0.00 0.00 0.00 175.10 175.17 1i6m s ILE 14 N 1.68 2.83 0.53 2.22 -1.09 -1.26 -4.77 121.20 121.33 1i6m s ILE 14 Ca 0.04 -0.69 0.04 0.00 -2.23 0.00 0.00 60.65 57.81 1i6m s ILE 14 Cb -0.13 -2.24 0.04 0.00 -1.58 0.00 0.00 42.46 38.55 1i6m s ILE 14 CO -0.07 0.48 0.73 0.42 -1.23 0.00 0.00 174.94 175.27 1i6m s THR 15 N 1.28 2.69 -0.04 2.92 -4.23 -1.26 -1.29 115.64 115.72 1i6m s THR 15 Ca 0.03 -0.78 0.31 0.00 -1.18 0.00 0.00 61.69 60.08 1i6m s THR 15 Cb -0.14 -2.91 0.37 0.00 1.34 0.00 0.00 72.50 71.16 1i6m s THR 15 CO -0.06 0.00 1.91 0.16 -0.54 0.00 0.00 174.62 176.09 1i6m h ILE 16 N 0.20 0.00 -0.15 2.99 -0.00 -1.22 -1.94 117.51 117.38 1i6m h ILE 16 Ca -0.40 -0.55 -0.02 0.00 -0.00 0.00 0.00 64.86 63.88 1i6m h ILE 16 Cb 1.29 1.53 -0.01 0.00 -0.00 0.00 0.00 36.82 39.63 1i6m h ILE 16 CO 0.48 0.00 0.01 1.23 -0.00 0.00 0.00 178.15 179.87 1i6m h GLY 17 N 2.38 0.28 0.51 0.16 0.00 -1.92 -0.14 103.07 104.34 1i6m h GLY 17 Ca 0.00 -0.20 0.08 0.00 0.00 0.00 0.00 47.33 47.21 1i6m h GLY 17 CO 0.00 0.18 0.25 3.43 0.00 0.00 0.00 176.54 180.40 1i6m h ASN 18 N 0.02 0.29 0.52 0.19 -0.26 -1.76 -0.19 115.58 114.39 1i6m h ASN 18 Ca 0.04 0.06 -0.02 0.00 -0.56 0.00 0.00 56.30 55.82 1i6m h ASN 18 Cb 0.34 0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1i6m h ASN 18 CO 0.01 0.19 -0.28 0.22 -1.06 0.00 0.00 177.43 176.50 1i6m h TYR 19 N 0.46 -0.74 -0.63 1.19 3.20 -1.21 -1.81 116.97 117.43 1i6m h TYR 19 Ca 0.28 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.05 1i6m h TYR 19 Cb 0.29 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 1i6m h TYR 19 CO -0.14 -0.44 0.06 0.82 -1.64 0.00 0.00 178.16 176.81 1i6m h ILE 20 N -0.75 1.26 0.00 1.81 2.04 -0.91 0.73 117.51 121.71 1i6m h ILE 20 Ca -0.07 -1.09 -0.20 0.00 1.00 0.00 0.00 64.86 64.51 1i6m h ILE 20 Cb 0.59 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1i6m h ILE 20 CO 0.09 0.40 -0.93 1.23 0.00 0.00 0.00 178.15 178.94 1i6m h GLY 21 N 0.99 0.00 0.00 5.37 0.00 -1.09 -3.43 103.07 104.91 1i6m h GLY 21 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1i6m h GLY 21 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.56 1i6m n ALA 22 N -2.33 2.38 -0.34 3.60 0.00 -0.74 -3.74 120.51 119.35 1i6m n ALA 22 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.67 1i6m n ALA 22 Cb 0.91 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.82 1i6m n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1i6m h LEU 23 N 0.00 0.54 -0.71 0.00 3.38 -1.24 0.15 115.31 117.42 1i6m h LEU 23 Ca 0.00 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1i6m h LEU 23 Cb 0.00 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1i6m h LEU 23 CO 0.00 -0.10 0.38 -0.09 0.09 0.00 0.00 178.44 178.72 1i6m h ARG 24 N 0.36 1.00 -0.56 1.13 2.43 -1.11 -2.13 114.38 115.50 1i6m h ARG 24 Ca 0.72 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.72 1i6m h ARG 24 Cb 1.61 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.95 1i6m h ARG 24 CO -0.59 0.76 0.18 1.96 -1.51 0.00 0.00 179.97 180.77 1i6m h GLN 25 N 0.98 0.86 -0.56 0.20 4.20 -0.99 -1.41 115.11 118.40 1i6m h GLN 25 Ca 0.25 -0.18 0.05 0.00 0.06 0.00 0.00 58.65 58.82 1i6m h GLN 25 Cb 0.06 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 27.67 1i6m h GLN 25 CO -0.04 0.78 0.29 0.74 -0.67 0.00 0.00 178.83 179.93 1i6m h PHE 26 N 0.78 0.53 -0.49 2.96 0.04 -0.88 0.78 116.94 120.66 1i6m h PHE 26 Ca 0.18 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.88 1i6m h PHE 26 Cb 0.27 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 1i6m h PHE 26 CO 0.02 0.26 -0.04 0.28 -0.60 0.00 0.00 178.31 178.23 1i6m h VAL 27 N 0.56 1.27 -0.21 -0.55 2.07 -1.26 -1.55 116.25 116.57 1i6m h VAL 27 Ca 0.25 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.64 1i6m h VAL 27 Cb 0.15 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1i6m h VAL 27 CO -0.17 0.40 0.11 -0.08 0.02 0.00 0.00 177.57 177.85 1i6m h GLU 28 N 0.76 0.23 0.00 1.57 4.81 -0.56 -3.27 114.58 118.12 1i6m h GLU 28 Ca 0.14 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1i6m h GLU 28 Cb 0.57 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1i6m h GLU 28 CO 0.03 0.15 -0.78 -0.07 -0.73 0.00 0.00 179.01 177.61 1i6m h LEU 29 N 0.23 0.00 -1.74 1.64 3.38 -0.81 -3.41 115.31 114.61 1i6m h LEU 29 Ca 0.09 -0.11 0.29 0.00 0.09 0.00 0.00 57.88 58.23 1i6m h LEU 29 Cb 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 1i6m h LEU 29 CO -0.06 0.06 0.73 0.06 0.09 0.00 0.00 178.44 179.32 1i6m h GLN 30 N 0.00 0.16 0.00 1.13 3.07 -1.33 -1.39 115.11 116.75 1i6m h GLN 30 Ca 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.71 1i6m h GLN 30 Cb 0.88 -0.04 -0.00 0.00 0.08 0.00 0.00 27.48 28.40 1i6m h GLN 30 CO 0.00 0.11 -0.29 0.45 0.09 0.00 0.00 178.83 179.19 1i6m h HIS 31 N 0.17 0.00 0.00 0.06 3.86 -1.82 -3.35 115.15 114.06 1i6m h HIS 31 Ca 0.54 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.75 1i6m h HIS 31 Cb 1.80 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.27 1i6m h HIS 31 CO -0.00 0.07 -0.82 0.39 0.86 0.00 0.00 177.93 178.42 1i6m n GLU 32 N -3.03 0.17 -4.29 2.45 4.71 -0.54 -4.99 120.64 115.12 1i6m n GLU 32 Ca 0.03 0.01 -0.15 0.00 -0.01 0.00 0.00 57.16 57.03 1i6m n GLU 32 Cb 0.56 -1.56 -0.10 0.00 -1.01 0.00 0.00 31.44 29.33 1i6m n GLU 32 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1i6m s TYR 33 N -3.11 1.43 -0.09 -0.32 1.51 -1.14 -4.65 117.35 110.98 1i6m s TYR 33 Ca 0.07 -1.15 -0.27 0.00 -1.01 0.00 0.00 57.07 54.71 1i6m s TYR 33 Cb 0.15 -0.82 -0.02 0.00 -0.11 0.00 0.00 41.96 41.16 1i6m s TYR 33 CO 0.77 -0.32 0.89 -0.80 -1.11 0.00 0.00 175.55 174.99 1i6m s ASN 34 N -3.27 7.14 -0.09 2.29 0.01 0.06 -4.86 114.94 116.22 1i6m s ASN 34 Ca 0.34 1.39 0.02 0.00 -0.71 0.00 0.00 52.86 53.90 1i6m s ASN 34 Cb 0.07 -2.50 0.01 0.00 0.41 0.00 0.00 41.25 39.24 1i6m s ASN 34 CO 0.11 -0.33 -0.15 0.00 -1.51 0.00 0.00 177.10 175.21 1i6m s TYR 36 N 0.71 2.64 -0.11 0.00 1.51 -0.12 -0.35 117.35 121.63 1i6m s TYR 36 Ca -0.13 -1.13 0.00 0.00 -1.01 0.00 0.00 57.07 54.80 1i6m s TYR 36 Cb -0.16 -1.78 0.02 0.00 -0.11 0.00 0.00 41.96 39.94 1i6m s TYR 36 CO 0.03 -0.48 -0.09 -0.06 -1.11 0.00 0.00 175.55 173.84 1i6m s PHE 37 N 0.56 1.51 0.06 2.71 2.99 -0.12 -1.75 117.98 123.95 1i6m s PHE 37 Ca -0.13 -0.72 0.07 0.00 0.00 0.00 0.00 56.93 56.15 1i6m s PHE 37 Cb -0.17 -1.22 -0.03 0.00 0.00 0.00 0.00 43.02 41.60 1i6m s PHE 37 CO 0.04 -0.47 -0.17 0.00 -0.00 0.00 0.00 175.22 174.62 1i6m s ILE 39 N -1.00 4.89 -1.43 0.00 1.01 0.11 -1.57 121.20 123.20 1i6m s ILE 39 Ca 0.16 -1.39 -0.12 0.00 0.00 0.00 0.00 60.65 59.30 1i6m s ILE 39 Cb -0.11 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1i6m s ILE 39 CO 0.07 -0.70 2.53 1.33 0.00 0.00 0.00 174.94 178.18 1i6m n VAL 40 N 5.12 3.62 0.20 2.92 0.24 -0.69 -0.80 118.33 128.95 1i6m n VAL 40 Ca -0.12 -2.54 0.05 0.00 -2.04 0.00 0.00 64.34 59.69 1i6m n VAL 40 Cb 0.42 -2.54 0.42 0.00 -1.47 0.00 0.00 33.84 30.67 1i6m n VAL 40 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 1i6m h ASP 41 N 5.72 0.00 0.44 -1.34 2.03 -1.95 -0.59 116.42 120.72 1i6m h ASP 41 Ca 0.69 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.89 1i6m h ASP 41 Cb 0.42 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.91 1i6m h ASP 41 CO 1.80 0.33 -0.48 1.56 -1.03 0.00 0.00 179.24 181.41 1i6m h GLN 42 N 0.00 0.06 -0.03 4.15 4.20 -1.94 -2.15 115.11 119.40 1i6m h GLN 42 Ca -0.00 -0.03 -0.20 0.00 0.06 0.00 0.00 58.65 58.47 1i6m h GLN 42 Cb 0.63 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 1i6m h GLN 42 CO 0.04 0.53 -0.85 0.45 -0.67 0.00 0.00 178.83 178.33 1i6m h HIS 43 N 0.05 0.53 -0.89 2.96 3.86 -1.84 -3.24 115.15 116.58 1i6m h HIS 43 Ca -0.00 -0.27 0.09 0.00 -1.16 0.00 0.00 60.37 59.03 1i6m h HIS 43 Cb 0.88 -0.07 -0.07 0.00 1.06 0.00 0.00 27.41 29.20 1i6m h HIS 43 CO 0.00 1.06 0.54 0.00 0.86 0.00 0.00 177.93 180.39 1i6m h ALA 44 N 0.85 1.28 0.00 2.45 0.00 -0.47 -1.76 119.26 121.62 1i6m h ALA 44 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1i6m h ALA 44 Cb 1.46 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1i6m h ALA 44 CO 0.14 0.18 0.00 0.44 0.00 0.00 0.00 179.25 180.02 1i6m n ILE 45 N -4.67 0.00 0.57 0.00 -5.35 -1.04 -3.00 119.36 105.86 1i6m n ILE 45 Ca 0.15 0.00 0.07 0.00 -0.27 0.00 0.00 62.75 62.70 1i6m n ILE 45 Cb 0.28 -0.39 0.34 0.00 -1.74 0.00 0.00 39.64 38.13 1i6m n ILE 45 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1i6m n THR 46 N -0.68 0.86 -4.13 7.28 -2.24 -0.66 -4.49 114.28 110.22 1i6m n THR 46 Ca 0.05 0.22 -0.15 0.00 -2.27 0.00 0.00 64.05 61.89 1i6m n THR 46 Cb 0.02 -0.95 -0.11 0.00 -2.10 0.00 0.00 70.33 67.18 1i6m n THR 46 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1i6m s VAL 47 N -2.90 0.84 0.24 2.28 -7.23 -1.16 -4.19 120.40 108.28 1i6m s VAL 47 Ca 0.09 -1.28 -0.31 0.00 -1.81 0.00 0.00 61.98 58.67 1i6m s VAL 47 Cb 0.10 -0.94 -0.14 0.00 0.56 0.00 0.00 36.38 35.96 1i6m s VAL 47 CO 0.27 -0.36 1.25 1.87 -0.31 0.00 0.00 175.10 177.82 1i6m n TRP 48 N 1.20 1.76 -4.55 2.82 -0.00 -1.26 -5.00 117.44 112.42 1i6m n TRP 48 Ca -0.21 0.57 -0.23 0.00 -0.00 0.00 0.00 57.50 57.63 1i6m n TRP 48 Cb 0.55 -2.36 -0.16 0.00 -0.00 0.00 0.00 31.31 29.34 1i6m n TRP 48 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1i6m s GLN 49 N -0.78 1.35 0.02 5.87 -1.52 -1.26 -5.02 119.66 118.32 1i6m s GLN 49 Ca 0.66 -0.40 -0.30 0.00 -1.95 0.00 0.00 55.36 53.37 1i6m s GLN 49 Cb -0.71 -1.19 -0.06 0.00 -0.22 0.00 0.00 33.01 30.83 1i6m s GLN 49 CO 0.54 0.12 1.49 0.34 -0.25 0.00 0.00 175.29 177.53 1i6m s ASP 50 N 0.29 6.77 0.24 5.90 2.15 -1.26 -4.90 116.67 125.86 1i6m s ASP 50 Ca -0.06 2.23 -0.06 0.00 0.43 0.00 0.00 52.55 55.09 1i6m s ASP 50 Cb -0.11 -2.56 0.32 0.00 -0.30 0.00 0.00 42.92 40.27 1i6m s ASP 50 CO 0.02 -0.78 1.86 -0.65 -0.17 0.00 0.00 175.17 175.44 1i6m h PRO 51 N 8.05 0.96 -0.38 4.34 0.11 -1.99 0.38 132.00 143.48 1i6m h PRO 51 Ca -0.39 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 1i6m h PRO 51 Cb 1.18 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 1i6m h PRO 51 CO 0.91 0.63 0.13 1.25 -0.21 0.00 0.00 178.00 180.72 1i6m h HIS 52 N 0.98 0.60 -0.60 0.65 -0.00 -2.00 -1.92 115.15 112.86 1i6m h HIS 52 Ca 0.37 -0.06 -0.07 0.00 -0.00 0.00 0.00 60.37 60.61 1i6m h HIS 52 Cb 0.15 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 1i6m h HIS 52 CO -0.03 0.56 0.08 0.93 -0.00 0.00 0.00 177.93 179.47 1i6m h GLU 53 N 0.46 1.00 0.21 5.26 4.39 -1.86 -2.18 114.58 121.86 1i6m h GLU 53 Ca 0.12 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.55 1i6m h GLU 53 Cb 0.23 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1i6m h GLU 53 CO -0.01 0.95 -0.23 1.25 -1.16 0.00 0.00 179.01 179.81 1i6m h LEU 54 N 0.90 -0.63 -0.39 1.33 5.85 -0.75 0.15 115.31 121.77 1i6m h LEU 54 Ca 0.18 0.06 0.08 0.00 0.84 0.00 0.00 57.88 59.04 1i6m h LEU 54 Cb 0.44 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.62 1i6m h LEU 54 CO 0.01 -0.34 -0.10 0.03 -0.34 0.00 0.00 178.44 177.71 1i6m h ARG 55 N -0.48 -0.00 -0.80 1.25 2.47 -1.30 0.26 114.38 115.76 1i6m h ARG 55 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1i6m h ARG 55 Cb 0.46 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.74 1i6m h ARG 55 CO -0.07 -0.00 0.46 1.96 0.56 0.00 0.00 179.97 182.88 1i6m h GLN 56 N -0.00 1.11 -0.04 0.04 1.08 -1.15 -2.87 115.11 113.28 1i6m h GLN 56 Ca 0.19 -0.11 -0.08 0.00 -1.45 0.00 0.00 58.65 57.20 1i6m h GLN 56 Cb 0.29 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1i6m h GLN 56 CO -0.40 0.80 -0.33 -0.91 -0.95 0.00 0.00 178.83 177.03 1i6m h ASN 57 N 1.11 0.07 -0.28 1.46 2.35 -0.08 0.11 115.58 120.32 1i6m h ASN 57 Ca 0.29 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.94 1i6m h ASN 57 Cb -0.01 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1i6m h ASN 57 CO -0.05 0.40 -0.11 0.40 -1.65 0.00 0.00 177.43 176.42 1i6m h ILE 58 N 0.06 1.29 -0.39 2.81 2.04 -0.76 -1.02 117.51 121.54 1i6m h ILE 58 Ca 0.01 -1.17 -0.04 0.00 1.00 0.00 0.00 64.86 64.66 1i6m h ILE 58 Cb 0.62 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 1i6m h ILE 58 CO 0.05 0.37 0.10 -0.09 0.00 0.00 0.00 178.15 178.58 1i6m h ARG 59 N 0.32 0.62 -0.28 2.37 2.43 -1.26 -1.99 114.38 116.59 1i6m h ARG 59 Ca 0.07 -0.14 0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1i6m h ARG 59 Cb 0.61 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.03 1i6m h ARG 59 CO 0.04 0.64 -0.00 0.00 -1.51 0.00 0.00 179.97 179.13 1i6m h ARG 60 N 0.49 0.08 -0.79 0.20 3.08 -0.63 -0.11 114.38 116.70 1i6m h ARG 60 Ca 0.12 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 1i6m h ARG 60 Cb 0.29 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1i6m h ARG 60 CO -0.00 0.05 0.35 1.25 -1.07 0.00 0.00 179.97 180.55 1i6m h LEU 61 N 0.08 1.06 -0.66 3.04 5.85 -1.12 0.22 115.31 123.77 1i6m h LEU 61 Ca 0.14 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1i6m h LEU 61 Cb 0.18 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1i6m h LEU 61 CO -0.23 0.92 0.42 0.00 -0.34 0.00 0.00 178.44 179.20 1i6m h ALA 62 N 1.24 0.84 -0.76 1.25 0.00 -0.85 0.54 119.26 121.52 1i6m h ALA 62 Ca 0.27 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1i6m h ALA 62 Cb 0.16 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1i6m h ALA 62 CO -0.03 0.29 0.33 0.00 0.00 0.00 0.00 179.25 179.84 1i6m h ALA 63 N 1.22 0.98 -0.51 0.00 0.00 -0.54 -2.12 119.26 118.29 1i6m h ALA 63 Ca 0.24 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1i6m h ALA 63 Cb -0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1i6m h ALA 63 CO -0.05 0.58 -0.01 -0.07 0.00 0.00 0.00 179.25 179.70 1i6m h LEU 64 N 1.08 0.89 -0.17 0.00 3.38 -0.16 0.33 115.31 120.65 1i6m h LEU 64 Ca 0.26 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1i6m h LEU 64 Cb 0.17 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1i6m h LEU 64 CO -0.03 0.98 -0.05 1.88 0.09 0.00 0.00 178.44 181.31 1i6m h TYR 65 N 0.77 -0.12 -0.58 1.13 0.05 -0.59 -1.27 116.97 116.37 1i6m h TYR 65 Ca 0.14 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.86 1i6m h TYR 65 Cb 0.53 0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.33 1i6m h TYR 65 CO 0.04 -0.09 0.03 -0.07 -1.05 0.00 0.00 178.16 177.02 1i6m h LEU 66 N -0.02 0.97 -1.25 3.88 3.38 -1.14 -2.37 115.31 118.77 1i6m h LEU 66 Ca 0.09 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1i6m h LEU 66 Cb 0.15 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1i6m h LEU 66 CO -0.19 1.03 0.45 0.00 0.09 0.00 0.00 178.44 179.81 1i6m h ALA 67 N 0.98 1.45 0.00 1.53 0.00 -0.02 -1.92 119.26 121.29 1i6m h ALA 67 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1i6m h ALA 67 Cb 0.51 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1i6m h ALA 67 CO 0.02 0.49 0.00 1.33 0.00 0.00 0.00 179.25 181.10 1i6m n VAL 68 N -4.41 0.51 0.00 0.00 0.24 -0.51 -4.64 118.33 109.53 1i6m n VAL 68 Ca 0.07 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1i6m n VAL 68 Cb 0.05 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 31.69 1i6m n VAL 68 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1i6m n GLY 69 N 0.91 1.10 3.71 7.63 0.00 -0.72 -4.97 105.19 112.86 1i6m n GLY 69 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1i6m n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i6m s ILE 70 N -1.95 2.25 -0.25 -0.61 -1.09 -0.90 -4.94 121.20 113.70 1i6m s ILE 70 Ca 0.00 0.12 -0.05 0.00 -2.23 0.00 0.00 60.65 58.48 1i6m s ILE 70 Cb 0.00 -3.07 -0.01 0.00 -1.58 0.00 0.00 42.46 37.80 1i6m s ILE 70 CO 0.00 0.01 0.02 -0.62 -1.23 0.00 0.00 174.94 173.12 1i6m s ASP 71 N 1.47 4.74 0.00 3.58 -1.08 -1.26 -4.57 116.67 119.54 1i6m s ASP 71 Ca 0.75 -0.48 0.02 0.00 -0.52 0.00 0.00 52.55 52.32 1i6m s ASP 71 Cb -0.48 -1.82 0.09 0.00 -1.46 0.00 0.00 42.92 39.26 1i6m s ASP 71 CO 0.33 -0.08 1.02 -0.81 0.52 0.00 0.00 175.17 176.14 1i6m n PRO 72 N 4.84 0.01 0.01 4.34 -0.05 -1.26 -0.75 135.00 142.13 1i6m n PRO 72 Ca -0.16 0.42 0.11 0.00 -0.05 0.00 0.00 63.50 63.81 1i6m n PRO 72 Cb 0.50 -1.50 0.10 0.00 -0.05 0.00 0.00 33.50 32.55 1i6m n PRO 72 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 1i6m n THR 73 N -1.45 0.05 -0.05 0.52 -2.24 -1.26 -4.17 114.28 105.69 1i6m n THR 73 Ca 0.01 -0.06 -0.03 0.00 -2.27 0.00 0.00 64.05 61.70 1i6m n THR 73 Cb 0.02 0.43 -0.10 0.00 -2.10 0.00 0.00 70.33 68.58 1i6m n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i6m n GLN 74 N -1.62 1.53 -4.12 -0.78 1.13 0.07 -5.06 117.38 108.53 1i6m n GLN 74 Ca 0.04 -0.04 -0.08 0.00 -1.94 0.00 0.00 57.00 54.98 1i6m n GLN 74 Cb 0.36 -1.32 -0.10 0.00 0.11 0.00 0.00 30.24 29.29 1i6m n GLN 74 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i6m s ALA 75 N -2.48 0.66 -0.31 -1.58 0.00 -0.04 -4.35 121.76 113.66 1i6m s ALA 75 Ca -0.06 -1.27 -0.08 0.00 0.00 0.00 0.00 51.96 50.55 1i6m s ALA 75 Cb 0.05 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.49 1i6m s ALA 75 CO 0.53 -0.35 0.12 0.99 0.00 0.00 0.00 175.76 177.04 1i6m s THR 76 N -3.86 4.19 -0.22 0.00 2.01 0.52 -4.32 115.64 113.96 1i6m s THR 76 Ca 0.10 -0.68 -0.07 0.00 0.31 0.00 0.00 61.69 61.35 1i6m s THR 76 Cb 0.07 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 1i6m s THR 76 CO -0.07 0.02 0.06 -0.22 -0.69 0.00 0.00 174.62 173.71 1i6m s LEU 77 N 1.53 3.54 0.19 4.42 2.96 -1.26 -0.95 118.68 129.11 1i6m s LEU 77 Ca 0.03 -0.11 -0.14 0.00 -0.22 0.00 0.00 54.13 53.68 1i6m s LEU 77 Cb -0.18 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.60 1i6m s LEU 77 CO 0.04 0.04 0.44 0.72 -1.32 0.00 0.00 176.35 176.27 1i6m s PHE 78 N 1.14 0.10 -0.24 5.38 -0.12 -0.80 -4.05 117.98 119.40 1i6m s PHE 78 Ca 0.04 -0.46 -0.15 0.00 -0.05 0.00 0.00 56.93 56.31 1i6m s PHE 78 Cb -0.14 0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.43 1i6m s PHE 78 CO 0.03 -0.86 0.39 0.42 -0.05 0.00 0.00 175.22 175.15 1i6m s ILE 79 N -3.92 5.18 0.24 -4.49 1.01 -1.26 -0.71 121.20 117.25 1i6m s ILE 79 Ca 0.13 0.65 -0.13 0.00 0.00 0.00 0.00 60.65 61.30 1i6m s ILE 79 Cb 0.00 -3.72 0.33 0.00 0.01 0.00 0.00 42.46 39.08 1i6m s ILE 79 CO -0.01 0.20 1.58 -0.61 0.00 0.00 0.00 174.94 176.10 1i6m h GLN 80 N 7.75 -0.02 0.00 2.79 4.15 -1.34 -0.82 115.11 127.62 1i6m h GLN 80 Ca -0.34 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.08 1i6m h GLN 80 Cb 1.16 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.85 1i6m h GLN 80 CO 0.69 -0.01 -0.02 0.66 -1.93 0.00 0.00 178.83 178.21 1i6m h SER 81 N -0.02 0.00 -0.03 -0.69 4.64 -1.95 -1.97 113.55 113.53 1i6m h SER 81 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1i6m h SER 81 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1i6m h SER 81 CO -0.88 0.02 0.00 -0.62 -0.87 0.00 0.00 176.83 174.48 1i6m n GLU 82 N -3.23 1.22 -3.82 4.77 1.02 -0.31 -4.44 120.64 115.85 1i6m n GLU 82 Ca -0.02 -0.33 -0.30 0.00 -0.02 0.00 0.00 57.16 56.49 1i6m n GLU 82 Cb 0.16 -1.40 -0.14 0.00 -0.02 0.00 0.00 31.44 30.03 1i6m n GLU 82 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1i6m s VAL 83 N -1.96 1.52 0.60 2.62 1.01 -0.74 -4.95 120.40 118.50 1i6m s VAL 83 Ca 0.37 -2.11 0.29 0.00 0.00 0.00 0.00 61.98 60.53 1i6m s VAL 83 Cb 0.18 -2.11 0.36 0.00 0.00 0.00 0.00 36.38 34.81 1i6m s VAL 83 CO 0.29 -0.72 2.05 -0.65 0.00 0.00 0.00 175.10 176.06 1i6m h PRO 84 N 7.48 0.00 -0.49 2.72 0.11 -1.81 -2.29 132.00 137.72 1i6m h PRO 84 Ca -0.07 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.14 1i6m h PRO 84 Cb 0.98 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 1i6m h PRO 84 CO 0.51 0.00 0.34 0.00 -0.21 0.00 0.00 178.00 178.63 1i6m h ALA 85 N 1.67 2.18 0.38 -0.75 0.00 -1.92 -1.72 119.26 119.09 1i6m h ALA 85 Ca 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1i6m h ALA 85 Cb 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1i6m h ALA 85 CO -0.00 -0.30 -0.18 0.45 0.00 0.00 0.00 179.25 179.22 1i6m h HIS 86 N 0.21 -0.47 -0.78 0.00 3.86 -1.72 0.85 115.15 117.10 1i6m h HIS 86 Ca 0.23 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.51 1i6m h HIS 86 Cb 0.62 0.16 -0.07 0.00 1.06 0.00 0.00 27.41 29.18 1i6m h HIS 86 CO -0.00 -0.24 0.45 0.00 0.86 0.00 0.00 177.93 178.99 1i6m h ALA 87 N 0.01 1.09 -0.20 2.45 0.00 -1.55 -0.02 119.26 121.05 1i6m h ALA 87 Ca -0.05 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1i6m h ALA 87 Cb 0.44 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1i6m h ALA 87 CO 0.09 0.11 0.02 1.96 0.00 0.00 0.00 179.25 181.42 1i6m h GLN 88 N 0.78 0.33 -0.05 0.00 4.20 -1.02 -2.02 115.11 117.33 1i6m h GLN 88 Ca 0.36 -0.10 -0.10 0.00 0.06 0.00 0.00 58.65 58.88 1i6m h GLN 88 Cb 0.28 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1i6m h GLN 88 CO -0.22 0.51 -0.42 0.00 -0.67 0.00 0.00 178.83 178.03 1i6m h ALA 89 N 0.81 1.20 -0.59 3.87 0.00 -0.79 -2.51 119.26 121.25 1i6m h ALA 89 Ca 0.06 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1i6m h ALA 89 Cb 0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1i6m h ALA 89 CO 0.01 0.57 0.09 0.00 0.00 0.00 0.00 179.25 179.91 1i6m h ALA 90 N 1.47 1.05 0.16 0.00 0.00 -0.82 0.00 119.26 121.12 1i6m h ALA 90 Ca 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1i6m h ALA 90 Cb 0.79 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1i6m h ALA 90 CO 0.06 0.61 -0.08 2.35 0.00 0.00 0.00 179.25 182.19 1i6m h TRP 91 N 0.90 -0.20 -0.53 0.00 2.91 -0.95 0.46 115.95 118.53 1i6m h TRP 91 Ca 0.18 -0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.29 1i6m h TRP 91 Cb 0.40 0.07 -0.08 0.00 -0.51 0.00 0.00 29.16 29.04 1i6m h TRP 91 CO 0.03 0.03 0.08 0.52 -1.03 0.00 0.00 178.44 178.07 1i6m h MET 92 N -0.40 0.21 -0.31 2.65 2.86 -1.23 -1.97 114.93 116.74 1i6m h MET 92 Ca -0.02 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 1i6m h MET 92 Cb 0.31 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1i6m h MET 92 CO 0.04 0.14 -0.10 -0.07 1.06 0.00 0.00 176.91 177.98 1i6m h LEU 93 N 0.21 0.49 -1.83 1.22 3.38 -0.85 -2.40 115.31 115.54 1i6m h LEU 93 Ca 0.27 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1i6m h LEU 93 Cb 0.39 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1i6m h LEU 93 CO -0.38 0.63 0.03 1.56 0.09 0.00 0.00 178.44 180.37 1i6m h GLN 94 N 0.48 0.13 0.00 1.13 4.20 -0.23 -1.17 115.11 119.65 1i6m h GLN 94 Ca 0.09 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1i6m h GLN 94 Cb 0.46 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1i6m h GLN 94 CO 0.03 0.13 0.00 0.00 -0.67 0.00 0.00 178.83 178.31 1i6m n ILE 96 N -2.14 0.00 -3.56 0.00 -5.35 -0.53 -4.98 119.36 102.81 1i6m n ILE 96 Ca 0.05 -0.41 -0.32 0.00 -0.27 0.00 0.00 62.75 61.80 1i6m n ILE 96 Cb 0.35 1.14 -0.05 0.00 -1.74 0.00 0.00 39.64 39.34 1i6m n ILE 96 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1i6m s VAL 97 N -1.30 5.07 0.15 7.28 0.11 -0.68 -5.06 120.40 125.96 1i6m s VAL 97 Ca 0.09 0.24 -0.09 0.00 -2.93 0.00 0.00 61.98 59.30 1i6m s VAL 97 Cb 0.08 -3.62 -0.06 0.00 -1.53 0.00 0.00 36.38 31.25 1i6m s VAL 97 CO 0.24 0.02 0.45 -0.31 -3.33 0.00 0.00 175.10 172.17 1i6m s TYR 98 N -1.70 3.50 0.25 1.54 1.51 -1.26 -4.96 117.35 116.24 1i6m s TYR 98 Ca 0.43 0.77 -0.03 0.00 -1.01 0.00 0.00 57.07 57.23 1i6m s TYR 98 Cb -0.12 -2.16 0.46 0.00 -0.11 0.00 0.00 41.96 40.03 1i6m s TYR 98 CO 0.23 0.41 1.78 0.82 -1.11 0.00 0.00 175.55 177.68 1i6m h ILE 99 N 2.35 0.81 -0.04 2.71 2.04 -1.97 -0.31 117.51 123.10 1i6m h ILE 99 Ca -0.47 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1i6m h ILE 99 Cb 1.18 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1i6m h ILE 99 CO 0.69 0.12 -0.09 1.23 0.00 0.00 0.00 178.15 180.10 1i6m h GLY 100 N 0.68 0.07 1.38 5.37 0.00 -1.99 -1.19 103.07 107.39 1i6m h GLY 100 Ca 0.42 -0.03 -0.11 0.00 0.00 0.00 0.00 47.33 47.61 1i6m h GLY 100 CO -0.31 0.03 -0.25 0.83 0.00 0.00 0.00 176.54 176.85 1i6m h GLU 101 N 0.06 0.72 -0.20 4.80 5.08 -1.45 -3.02 114.58 120.57 1i6m h GLU 101 Ca 0.01 -0.29 -0.19 0.00 -1.00 0.00 0.00 59.36 57.89 1i6m h GLU 101 Cb 0.20 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.43 1i6m h GLU 101 CO 0.01 0.89 -0.61 -0.07 -1.00 0.00 0.00 179.01 178.24 1i6m h LEU 102 N 0.62 0.88 -2.13 1.33 3.38 -1.10 -3.26 115.31 115.05 1i6m h LEU 102 Ca 0.08 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 1i6m h LEU 102 Cb 0.74 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1i6m h LEU 102 CO 0.06 1.31 -0.07 -0.33 0.09 0.00 0.00 178.44 179.50 1i6m h GLU 103 N 0.50 0.00 -0.13 1.13 5.08 -1.17 -2.59 114.58 117.40 1i6m h GLU 103 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1i6m h GLU 103 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1i6m h GLU 103 CO 0.13 0.07 0.00 2.89 -1.00 0.00 0.00 179.01 181.10 1i6m n ARG 104 N -3.72 1.83 -2.16 2.33 1.85 -1.15 -4.69 116.66 110.95 1i6m n ARG 104 Ca -0.02 -1.23 -0.42 0.00 -1.00 0.00 0.00 57.85 55.18 1i6m n ARG 104 Cb 0.18 -1.44 -0.03 0.00 -1.05 0.00 0.00 32.46 30.12 1i6m n ARG 104 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 1i6m s MET 105 N -1.85 4.33 0.23 2.89 -1.94 -0.98 -4.90 119.30 117.09 1i6m s MET 105 Ca 0.34 2.09 -0.01 0.00 -1.71 0.00 0.00 55.69 56.40 1i6m s MET 105 Cb 0.19 -3.23 0.25 0.00 2.01 0.00 0.00 34.83 34.05 1i6m s MET 105 CO 0.30 -0.41 1.62 1.79 -0.01 0.00 0.00 175.02 178.31 1i6m h THR 106 N 4.13 1.29 -0.33 2.05 1.35 -1.91 -1.13 112.91 118.37 1i6m h THR 106 Ca -0.43 -1.50 0.02 0.00 -0.55 0.00 0.00 66.41 63.95 1i6m h THR 106 Cb 1.21 1.49 -0.03 0.00 -1.73 0.00 0.00 68.15 69.10 1i6m h THR 106 CO 0.85 0.47 0.17 1.56 -0.25 0.00 0.00 175.52 178.32 1i6m h GLN 107 N 0.47 0.34 0.08 4.72 1.08 -1.92 0.96 115.11 120.85 1i6m h GLN 107 Ca 0.05 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1i6m h GLN 107 Cb 0.85 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1i6m h GLN 107 CO 0.07 0.23 -0.04 0.35 -0.95 0.00 0.00 178.83 178.49 1i6m h PHE 108 N 0.35 -0.09 -0.63 2.96 3.57 -1.82 -1.38 116.94 119.89 1i6m h PHE 108 Ca 0.13 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.73 1i6m h PHE 108 Cb 0.04 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.73 1i6m h PHE 108 CO -0.09 -0.03 0.26 0.87 -2.23 0.00 0.00 178.31 177.08 1i6m h LYS 109 N -0.13 0.44 0.14 1.11 1.57 -0.57 -1.03 116.57 118.10 1i6m h LYS 109 Ca -0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1i6m h LYS 109 Cb 0.10 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1i6m h LYS 109 CO 0.02 0.29 -0.07 0.93 -0.57 0.00 0.00 179.45 180.05 1i6m h GLU 110 N 0.45 -0.18 0.00 3.15 5.08 -0.66 -2.27 114.58 120.15 1i6m h GLU 110 Ca 0.32 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1i6m h GLU 110 Cb 0.38 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1i6m h GLU 110 CO -0.30 0.15 -0.00 0.87 -1.00 0.00 0.00 179.01 178.72 1i6m h LYS 111 N -0.53 0.00 -0.02 2.33 1.57 -1.08 -2.94 116.57 115.91 1i6m h LYS 111 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1i6m h LYS 111 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1i6m h LYS 111 CO 0.03 0.00 -0.25 -1.13 -0.57 0.00 0.00 179.45 177.53 1i6m n SER 112 N -3.83 2.12 -4.76 0.86 3.41 -0.41 -5.02 113.62 105.99 1i6m n SER 112 Ca -0.03 -1.56 -0.40 0.00 -0.26 0.00 0.00 58.87 56.62 1i6m n SER 112 Cb 0.09 0.30 0.02 0.00 -0.26 0.00 0.00 64.21 64.36 1i6m n SER 112 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i6m s ALA 113 N -1.98 3.19 -1.39 7.33 0.00 -0.86 -2.92 121.76 125.12 1i6m s ALA 113 Ca 0.18 1.45 -0.04 0.00 0.00 0.00 0.00 51.96 53.56 1i6m s ALA 113 Cb 0.16 -3.59 0.03 0.00 0.00 0.00 0.00 23.12 19.72 1i6m s ALA 113 CO 0.40 -1.22 0.73 0.41 0.00 0.00 0.00 175.76 176.07 1i6m n GLY 114 N 0.60 -0.33 3.19 0.00 0.00 -1.26 -4.97 105.19 102.42 1i6m n GLY 114 Ca 0.06 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1i6m n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i6m s LYS 115 N -6.26 1.41 0.07 1.61 1.02 -1.15 -5.04 119.74 111.40 1i6m s LYS 115 Ca 0.19 -0.74 -0.17 0.00 0.02 0.00 0.00 55.97 55.28 1i6m s LYS 115 Cb -0.10 -1.41 -0.12 0.00 -0.52 0.00 0.00 37.83 35.69 1i6m s LYS 115 CO 0.83 0.38 1.36 1.49 -0.92 0.00 0.00 175.35 178.49 1i6m h GLU 116 N 5.41 0.57 -2.77 1.68 4.57 -1.93 -3.43 114.58 118.68 1i6m h GLU 116 Ca -0.39 -0.33 -0.42 0.00 -1.18 0.00 0.00 59.36 57.04 1i6m h GLU 116 Cb 1.15 0.03 -0.39 0.00 -0.16 0.00 0.00 28.75 29.38 1i6m h GLU 116 CO 0.47 0.94 -0.71 0.00 -1.18 0.00 0.00 179.01 178.52 1i6m s ALA 117 N -4.19 0.19 -0.13 2.92 0.00 -1.26 -5.12 121.76 114.17 1i6m s ALA 117 Ca -0.13 -0.31 -0.08 0.00 0.00 0.00 0.00 51.96 51.44 1i6m s ALA 117 Cb 0.07 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 1i6m s ALA 117 CO 0.81 -1.33 0.16 0.08 0.00 0.00 0.00 175.76 175.48 1i6m s VAL 118 N 2.20 5.45 0.18 0.00 1.01 -1.26 -5.08 120.40 122.90 1i6m s VAL 118 Ca 0.05 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 1i6m s VAL 118 Cb -0.16 -3.44 -0.07 0.00 0.00 0.00 0.00 36.38 32.71 1i6m s VAL 118 CO -0.18 0.58 1.06 -0.44 0.00 0.00 0.00 175.10 176.12 1i6m s SER 119 N -0.73 7.35 0.52 3.32 0.01 -1.26 -4.94 113.70 117.96 1i6m s SER 119 Ca 0.14 2.03 0.19 0.00 1.31 0.00 0.00 55.95 59.62 1i6m s SER 119 Cb -0.12 -2.60 1.32 0.00 0.21 0.00 0.00 66.02 64.82 1i6m s SER 119 CO 0.04 -0.15 2.09 0.00 0.41 0.00 0.00 173.24 175.63 1i6m h ALA 120 N 5.04 2.18 -0.07 1.44 0.00 -1.98 -2.49 119.26 123.39 1i6m h ALA 120 Ca -0.44 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1i6m h ALA 120 Cb 1.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1i6m h ALA 120 CO 0.72 -0.24 -0.05 0.78 0.00 0.00 0.00 179.25 180.46 1i6m h GLY 121 N 0.00 0.10 1.09 0.00 0.00 -1.92 -0.74 103.07 101.60 1i6m h GLY 121 Ca 0.09 -0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 1i6m h GLY 121 CO -0.00 0.05 0.25 1.41 0.00 0.00 0.00 176.54 178.25 1i6m h LEU 122 N 0.10 1.07 -0.31 3.11 3.38 -1.61 0.22 115.31 121.27 1i6m h LEU 122 Ca 0.02 -0.19 -0.19 0.00 0.09 0.00 0.00 57.88 57.61 1i6m h LEU 122 Cb 0.15 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1i6m h LEU 122 CO 0.01 0.97 -0.64 0.25 0.09 0.00 0.00 178.44 179.12 1i6m h LEU 123 N 1.10 0.86 -2.53 1.67 5.85 -1.27 -3.15 115.31 117.84 1i6m h LEU 123 Ca 0.24 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1i6m h LEU 123 Cb 0.27 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1i6m h LEU 123 CO -0.01 1.28 0.00 0.35 -0.34 0.00 0.00 178.44 179.72 1i6m n THR 124 N -3.96 1.64 -0.23 1.05 -2.24 -0.62 -4.39 114.28 105.52 1i6m n THR 124 Ca -0.05 -0.85 -0.03 0.00 -2.27 0.00 0.00 64.05 60.84 1i6m n THR 124 Cb 0.67 -0.31 0.08 0.00 -2.10 0.00 0.00 70.33 68.66 1i6m n THR 124 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1i6m h TYR 125 N 2.51 0.75 -0.34 4.78 3.20 -0.92 -3.22 116.97 123.73 1i6m h TYR 125 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1i6m h TYR 125 Cb 1.37 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 1i6m h TYR 125 CO 0.66 0.41 0.22 -1.35 -1.64 0.00 0.00 178.16 176.46 1i6m h PRO 126 N 0.78 0.46 -0.36 1.82 0.11 -1.86 -2.70 132.00 130.25 1i6m h PRO 126 Ca 0.27 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 1i6m h PRO 126 Cb 0.06 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.05 1i6m h PRO 126 CO -0.12 0.32 0.18 -1.35 -0.21 0.00 0.00 178.00 176.82 1i6m h PRO 127 N 0.46 0.50 -0.61 1.05 0.11 -1.90 0.12 132.00 131.72 1i6m h PRO 127 Ca 0.12 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.09 1i6m h PRO 127 Cb -0.03 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 30.96 1i6m h PRO 127 CO -0.03 0.38 0.01 1.25 -0.21 0.00 0.00 178.00 179.41 1i6m h LEU 128 N 0.50 1.05 -0.76 2.35 5.85 -1.59 -0.30 115.31 122.40 1i6m h LEU 128 Ca 0.13 -0.30 -0.12 0.00 0.84 0.00 0.00 57.88 58.43 1i6m h LEU 128 Cb 0.04 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1i6m h LEU 128 CO -0.02 1.09 -0.31 -0.03 -0.34 0.00 0.00 178.44 178.83 1i6m h MET 129 N 0.98 0.58 -0.57 1.25 4.05 -0.95 -0.59 114.93 119.67 1i6m h MET 129 Ca 0.18 -0.26 -0.07 0.00 -0.28 0.00 0.00 59.70 59.27 1i6m h MET 129 Cb 0.55 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.31 1i6m h MET 129 CO 0.03 0.82 0.10 0.00 0.23 0.00 0.00 176.91 178.09 1i6m h ALA 130 N 1.16 0.75 -0.59 0.39 0.00 -0.65 -1.94 119.26 118.39 1i6m h ALA 130 Ca 0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1i6m h ALA 130 Cb 0.79 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1i6m h ALA 130 CO 0.06 0.49 0.25 0.00 0.00 0.00 0.00 179.25 180.06 1i6m h ALA 131 N 1.01 0.76 -0.69 0.00 0.00 -0.77 -0.50 119.26 119.08 1i6m h ALA 131 Ca 0.17 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.06 1i6m h ALA 131 Cb 0.40 -0.23 -0.10 0.00 0.00 0.00 0.00 17.79 17.87 1i6m h ALA 131 CO 0.01 0.36 0.20 -0.44 0.00 0.00 0.00 179.25 179.37 1i6m h ASP 132 N 0.81 0.09 0.01 0.00 3.45 -0.39 -1.25 116.42 119.14 1i6m h ASP 132 Ca 0.20 0.12 -0.02 0.00 0.43 0.00 0.00 57.03 57.76 1i6m h ASP 132 Cb 0.17 0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 1i6m h ASP 132 CO -0.02 0.03 -0.09 0.40 -1.57 0.00 0.00 179.24 177.99 1i6m h ILE 133 N 0.32 1.65 0.00 0.35 2.04 -1.19 -3.37 117.51 117.31 1i6m h ILE 133 Ca 0.37 -2.03 -0.05 0.00 1.00 0.00 0.00 64.86 64.15 1i6m h ILE 133 Cb 0.58 3.01 -0.01 0.00 -0.74 0.00 0.00 36.82 39.66 1i6m h ILE 133 CO -0.43 0.54 -0.24 -0.07 0.00 0.00 0.00 178.15 177.95 1i6m h LEU 134 N -0.76 0.00 -2.04 1.44 3.38 -0.92 -3.04 115.31 113.37 1i6m h LEU 134 Ca -0.01 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1i6m h LEU 134 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1i6m h LEU 134 CO 0.02 0.24 0.16 -0.07 0.09 0.00 0.00 178.44 178.88 1i6m h LEU 135 N 0.00 0.00 -2.81 1.67 3.38 -1.39 -2.47 115.31 113.69 1i6m h LEU 135 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i6m h LEU 135 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1i6m h LEU 135 CO 0.03 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.34 1i6m n TYR 136 N -4.38 0.85 -3.55 1.13 4.02 -1.15 -4.51 117.16 109.57 1i6m n TYR 136 Ca 0.02 -0.51 -0.23 0.00 -0.01 0.00 0.00 57.90 57.18 1i6m n TYR 136 Cb 0.30 -0.02 0.08 0.00 -0.02 0.00 0.00 39.34 39.68 1i6m n TYR 136 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1i6m n ASN 137 N 1.30 -5.72 -4.74 7.72 5.15 -0.93 -4.87 115.26 113.16 1i6m n ASN 137 Ca 0.21 -0.54 -0.42 0.00 -0.60 0.00 0.00 54.58 53.23 1i6m n ASN 137 Cb 0.58 -4.96 -0.02 0.00 -0.53 0.00 0.00 39.78 34.84 1i6m n ASN 137 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1i6m s THR 138 N -3.32 2.43 -0.19 -0.44 2.01 -1.23 -4.69 115.64 110.21 1i6m s THR 138 Ca 0.50 0.35 -0.07 0.00 0.31 0.00 0.00 61.69 62.78 1i6m s THR 138 Cb -0.22 -3.22 -0.21 0.00 0.01 0.00 0.00 72.50 68.86 1i6m s THR 138 CO 0.72 0.05 0.09 0.47 -0.69 0.00 0.00 174.62 175.25 1i6m n ASP 139 N 2.66 2.03 -4.10 3.53 8.00 -0.66 -3.83 116.55 124.18 1i6m n ASP 139 Ca 0.09 0.15 -0.21 0.00 0.71 0.00 0.00 54.79 55.52 1i6m n ASP 139 Cb 0.39 -0.74 -0.15 0.00 -0.02 0.00 0.00 41.12 40.60 1i6m n ASP 139 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1i6m s ILE 140 N -2.51 1.04 -0.30 0.53 -1.09 -0.72 -1.27 121.20 116.88 1i6m s ILE 140 Ca -0.29 -0.61 0.00 0.00 -2.23 0.00 0.00 60.65 57.52 1i6m s ILE 140 Cb 0.08 -0.88 0.09 0.00 -1.58 0.00 0.00 42.46 40.18 1i6m s ILE 140 CO 0.66 0.26 0.07 -0.69 -1.23 0.00 0.00 174.94 174.02 1i6m s VAL 141 N -0.37 1.19 -0.13 2.92 1.01 0.02 -2.46 120.40 122.58 1i6m s VAL 141 Ca 0.05 -1.52 -0.28 0.00 0.00 0.00 0.00 61.98 60.23 1i6m s VAL 141 Cb -0.05 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 1i6m s VAL 141 CO -0.00 -0.59 0.94 -2.16 0.00 0.00 0.00 175.10 173.29 1i6m s PRO 142 N 1.47 4.38 0.33 2.72 0.04 -1.26 -1.25 135.00 141.43 1i6m s PRO 142 Ca 0.08 1.26 -0.09 0.00 0.04 0.00 0.00 61.00 62.29 1i6m s PRO 142 Cb -0.18 -3.55 0.01 0.00 0.04 0.00 0.00 34.50 30.82 1i6m s PRO 142 CO -0.19 -0.32 0.56 0.14 0.04 0.00 0.00 177.00 177.23 1i6m s VAL 143 N 2.06 0.00 0.67 -0.36 -7.23 -0.78 -4.84 120.40 109.92 1i6m s VAL 143 Ca 0.45 -1.39 -0.05 0.00 -1.81 0.00 0.00 61.98 59.18 1i6m s VAL 143 Cb -0.18 -2.56 0.05 0.00 0.56 0.00 0.00 36.38 34.26 1i6m s VAL 143 CO 0.16 0.00 0.96 -0.83 -0.31 0.00 0.00 175.10 175.07 1i6m s GLY 144 N -3.13 1.72 0.51 2.32 0.00 -1.24 -4.17 107.32 103.33 1i6m s GLY 144 Ca 0.24 -1.02 0.25 0.00 0.00 0.00 0.00 44.72 44.19 1i6m s GLY 144 CO 0.15 -0.65 1.95 -2.09 0.00 0.00 0.00 173.10 172.46 1i6m h GLU 145 N -0.44 0.09 0.00 2.90 4.57 -1.44 -2.47 114.58 117.79 1i6m h GLU 145 Ca -0.44 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 1i6m h GLU 145 Cb 1.31 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1i6m h GLU 145 CO 0.58 0.06 0.00 -0.40 -1.18 0.00 0.00 179.01 178.07 1i6m n ASP 146 N -4.37 0.47 -0.88 1.04 5.68 -1.26 -2.35 116.55 114.87 1i6m n ASP 146 Ca 0.13 0.67 0.11 0.00 -0.50 0.00 0.00 54.79 55.20 1i6m n ASP 146 Cb 0.70 -0.75 0.09 0.00 -1.14 0.00 0.00 41.12 40.02 1i6m n ASP 146 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1i6m n GLN 147 N -2.07 2.09 -0.13 0.11 1.13 -0.93 -4.55 117.38 113.04 1i6m n GLN 147 Ca 0.01 -1.81 -0.06 0.00 -1.94 0.00 0.00 57.00 53.20 1i6m n GLN 147 Cb 0.11 -1.43 0.02 0.00 0.11 0.00 0.00 30.24 29.06 1i6m n GLN 147 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1i6m h LYS 148 N 4.34 0.39 -0.60 -1.09 3.64 -1.63 -1.72 116.57 119.89 1i6m h LYS 148 Ca 0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1i6m h LYS 148 Cb 0.93 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 1i6m h LYS 148 CO 0.00 0.26 0.35 0.37 -2.27 0.00 0.00 179.45 178.16 1i6m h GLN 149 N 0.40 0.82 -0.76 1.90 4.15 -1.81 0.14 115.11 119.94 1i6m h GLN 149 Ca 0.18 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 1i6m h GLN 149 Cb 0.10 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 27.58 1i6m h GLN 149 CO -0.13 0.59 0.43 0.45 -1.93 0.00 0.00 178.83 178.25 1i6m h HIS 150 N 0.81 1.02 -0.15 3.99 3.86 -1.81 -1.13 115.15 121.74 1i6m h HIS 150 Ca 0.21 -0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.29 1i6m h HIS 150 Cb -0.01 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.12 1i6m h HIS 150 CO -0.02 0.70 -0.44 0.82 0.86 0.00 0.00 177.93 179.85 1i6m h ILE 151 N 1.06 1.32 -0.53 2.45 2.04 -0.66 -0.86 117.51 122.33 1i6m h ILE 151 Ca 0.27 -1.61 -0.05 0.00 1.00 0.00 0.00 64.86 64.47 1i6m h ILE 151 Cb -0.00 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1i6m h ILE 151 CO -0.05 0.49 0.13 -0.33 0.00 0.00 0.00 178.15 178.39 1i6m h GLU 152 N 0.30 0.86 -0.34 2.37 4.39 -0.20 -1.06 114.58 120.89 1i6m h GLU 152 Ca 0.02 -0.21 -0.11 0.00 0.34 0.00 0.00 59.36 59.41 1i6m h GLU 152 Cb 0.90 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1i6m h GLU 152 CO 0.07 0.81 -0.22 1.25 -1.16 0.00 0.00 179.01 179.76 1i6m h LEU 153 N 0.75 0.67 -0.41 1.33 5.85 -1.10 -1.92 115.31 120.48 1i6m h LEU 153 Ca 0.17 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1i6m h LEU 153 Cb 0.34 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1i6m h LEU 153 CO 0.00 0.88 0.23 0.74 -0.34 0.00 0.00 178.44 179.96 1i6m h THR 154 N 0.58 1.03 -0.65 1.05 2.02 -0.69 -0.29 112.91 115.96 1i6m h THR 154 Ca 0.08 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1i6m h THR 154 Cb 0.70 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1i6m h THR 154 CO 0.05 0.09 0.42 0.03 0.37 0.00 0.00 175.52 176.48 1i6m h ARG 155 N 0.47 0.86 -0.30 6.66 3.08 -0.91 -0.78 114.38 123.47 1i6m h ARG 155 Ca 0.17 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.18 1i6m h ARG 155 Cb 0.03 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1i6m h ARG 155 CO -0.09 0.58 0.16 -0.44 -1.07 0.00 0.00 179.97 179.11 1i6m h ASP 156 N 0.88 0.24 -0.55 7.04 3.32 -0.76 -0.96 116.42 125.62 1i6m h ASP 156 Ca 0.24 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.21 1i6m h ASP 156 Cb -0.08 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1i6m h ASP 156 CO -0.05 0.18 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.57 1i6m h LEU 157 N 0.33 0.96 -0.58 1.55 3.38 -0.91 -0.46 115.31 119.58 1i6m h LEU 157 Ca 0.12 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1i6m h LEU 157 Cb 0.03 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1i6m h LEU 157 CO -0.08 1.04 0.25 0.00 0.09 0.00 0.00 178.44 179.74 1i6m h ALA 158 N 0.96 0.76 -0.37 1.53 0.00 -0.84 0.93 119.26 122.22 1i6m h ALA 158 Ca 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1i6m h ALA 158 Cb 0.55 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1i6m h ALA 158 CO 0.03 0.35 0.12 0.93 0.00 0.00 0.00 179.25 180.68 1i6m h GLU 159 N 0.80 0.58 -0.22 0.00 5.08 -0.99 0.26 114.58 120.10 1i6m h GLU 159 Ca 0.20 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1i6m h GLU 159 Cb 0.18 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1i6m h GLU 159 CO -0.02 0.59 0.09 -0.09 -1.00 0.00 0.00 179.01 178.58 1i6m h ARG 160 N 0.46 0.33 -0.26 2.33 2.43 -0.88 -0.93 114.38 117.86 1i6m h ARG 160 Ca 0.12 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1i6m h ARG 160 Cb 0.25 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1i6m h ARG 160 CO -0.00 0.38 0.15 0.35 -1.51 0.00 0.00 179.97 179.34 1i6m h PHE 161 N 0.20 0.29 -0.68 2.20 3.57 -0.69 -1.09 116.94 120.74 1i6m h PHE 161 Ca 0.07 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.60 1i6m h PHE 161 Cb 0.18 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 1i6m h PHE 161 CO -0.01 0.17 0.44 -0.91 -2.23 0.00 0.00 178.31 175.77 1i6m h ASN 162 N 0.32 0.75 -0.26 0.41 2.35 -0.75 -0.95 115.58 117.44 1i6m h ASN 162 Ca 0.10 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1i6m h ASN 162 Cb -0.01 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1i6m h ASN 162 CO -0.04 0.53 0.09 0.50 -1.65 0.00 0.00 177.43 176.86 1i6m h LYS 163 N 0.89 0.40 -0.11 0.81 3.64 -0.96 -0.21 116.57 121.03 1i6m h LYS 163 Ca 0.26 -0.08 -0.22 0.00 -1.27 0.00 0.00 60.65 59.34 1i6m h LYS 163 Cb -0.05 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1i6m h LYS 163 CO -0.08 0.46 -0.81 0.00 -2.27 0.00 0.00 179.45 176.75 1i6m h ARG 164 N 0.26 0.65 -0.00 1.90 3.08 -1.00 -3.40 114.38 115.87 1i6m h ARG 164 Ca 0.09 -0.56 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1i6m h ARG 164 Cb 0.22 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1i6m h ARG 164 CO -0.00 1.17 -0.04 0.66 -1.07 0.00 0.00 179.97 180.69 1i6m n TYR 165 N -3.88 0.00 0.00 3.04 4.02 -0.38 -5.11 117.16 114.85 1i6m n TYR 165 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1i6m n TYR 165 Cb 0.76 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.08 1i6m n TYR 165 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1i6m n GLY 166 N 0.75 3.09 3.60 2.72 0.00 -0.09 -4.87 105.19 110.37 1i6m n GLY 166 Ca 0.00 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 1i6m n GLY 166 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i6m s GLU 167 N -3.76 3.04 0.00 1.61 2.12 -1.21 -4.20 118.70 116.29 1i6m s GLU 167 Ca 0.00 1.91 0.00 0.00 0.36 0.00 0.00 54.97 57.24 1i6m s GLU 167 Cb 0.00 -4.38 0.00 0.00 0.26 0.00 0.00 34.13 30.01 1i6m s GLU 167 CO 0.00 -2.21 0.00 -0.11 -0.54 0.00 0.00 175.26 172.40 1i6m n LEU 168 N 12.00 0.89 -4.85 2.70 7.94 -1.26 -5.07 117.00 129.35 1i6m n LEU 168 Ca 0.30 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 54.86 1i6m n LEU 168 Cb 0.46 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.35 1i6m n LEU 168 CO 0.67 0.09 0.29 -0.36 -1.11 0.00 0.00 177.39 176.97 1i6m s PHE 169 N -1.93 3.52 0.15 1.96 2.99 -1.26 -5.04 117.98 118.36 1i6m s PHE 169 Ca 0.00 1.09 -0.24 0.00 0.00 0.00 0.00 56.93 57.77 1i6m s PHE 169 Cb 0.00 -2.41 -0.08 0.00 0.00 0.00 0.00 43.02 40.54 1i6m s PHE 169 CO 0.00 0.31 0.75 0.99 -0.00 0.00 0.00 175.22 177.26 1i6m s THR 170 N -1.67 4.43 -0.40 0.64 2.01 -1.26 -5.00 115.64 114.39 1i6m s THR 170 Ca 0.44 1.64 -0.27 0.00 0.31 0.00 0.00 61.69 63.81 1i6m s THR 170 Cb -0.13 -4.11 0.02 0.00 0.01 0.00 0.00 72.50 68.29 1i6m s THR 170 CO 0.20 0.52 0.98 -0.63 -0.69 0.00 0.00 174.62 175.00 1i6m s ILE 171 N -1.10 4.49 0.63 1.82 -1.09 -1.26 -4.77 121.20 119.92 1i6m s ILE 171 Ca 0.35 1.18 -0.11 0.00 -2.23 0.00 0.00 60.65 59.84 1i6m s ILE 171 Cb -0.23 -4.41 -0.03 0.00 -1.58 0.00 0.00 42.46 36.21 1i6m s ILE 171 CO 0.25 -0.67 1.03 -2.16 -1.23 0.00 0.00 174.94 172.17 1i6m s PRO 172 N 3.72 3.49 -0.01 2.79 0.04 -1.25 -4.86 135.00 138.91 1i6m s PRO 172 Ca 0.40 0.81 0.03 0.00 0.04 0.00 0.00 61.00 62.29 1i6m s PRO 172 Cb -0.11 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 1i6m s PRO 172 CO 0.22 -0.66 -0.11 -2.00 0.04 0.00 0.00 177.00 174.49 1i6m s GLU 173 N -5.07 0.86 0.42 4.56 2.12 -0.40 -4.84 118.70 116.35 1i6m s GLU 173 Ca 0.56 -0.38 -0.23 0.00 0.36 0.00 0.00 54.97 55.28 1i6m s GLU 173 Cb -0.12 -0.83 -0.09 0.00 0.26 0.00 0.00 34.13 33.36 1i6m s GLU 173 CO 0.53 0.23 1.05 0.00 -0.54 0.00 0.00 175.26 176.52 1i6m s ALA 174 N -0.26 3.03 -0.24 6.30 0.00 -1.26 -0.80 121.76 128.53 1i6m s ALA 174 Ca 0.04 0.68 0.01 0.00 0.00 0.00 0.00 51.96 52.69 1i6m s ALA 174 Cb -0.04 -3.27 0.06 0.00 0.00 0.00 0.00 23.12 19.87 1i6m s ALA 174 CO -0.00 -0.24 -0.08 0.50 0.00 0.00 0.00 175.76 175.93 1i6m s ARG 175 N -2.69 1.91 -0.10 0.00 3.52 -0.38 -4.77 118.95 116.43 1i6m s ARG 175 Ca 0.60 -1.08 0.04 0.00 -0.13 0.00 0.00 55.73 55.16 1i6m s ARG 175 Cb -0.21 -2.66 0.00 0.00 -1.56 0.00 0.00 34.95 30.53 1i6m s ARG 175 CO 0.26 -0.56 -0.24 0.42 -0.81 0.00 0.00 175.30 174.37 1i6m s ILE 176 N 1.30 2.06 0.61 4.11 1.01 -1.26 -1.86 121.20 127.16 1i6m s ILE 176 Ca -0.06 -1.01 -0.19 0.00 0.00 0.00 0.00 60.65 59.39 1i6m s ILE 176 Cb -0.19 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 1i6m s ILE 176 CO -0.06 0.56 1.13 -2.65 0.00 0.00 0.00 174.94 173.92 1i6m n PRO 177 N 3.57 1.09 -0.07 2.79 -0.02 -1.26 -4.93 135.00 136.17 1i6m n PRO 177 Ca -0.19 0.42 -0.13 0.00 -2.02 0.00 0.00 63.50 61.58 1i6m n PRO 177 Cb 0.53 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 1i6m n PRO 177 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1i6m h LYS 178 N 0.66 0.50 -6.32 -0.52 1.79 -2.00 -3.34 116.57 107.33 1i6m h LYS 178 Ca -0.49 -0.26 -0.69 0.00 -2.18 0.00 0.00 60.65 57.03 1i6m h LYS 178 Cb 1.35 0.01 -0.22 0.00 -1.58 0.00 0.00 32.23 31.79 1i6m h LYS 178 CO 0.53 0.84 -0.75 0.08 -1.08 0.00 0.00 179.45 179.06 1i6m s VAL 179 N -4.32 3.21 0.00 0.50 1.01 -1.26 -4.61 120.40 114.93 1i6m s VAL 179 Ca -0.13 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1i6m s VAL 179 Cb 0.07 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1i6m s VAL 179 CO 0.78 0.54 0.00 0.61 0.00 0.00 0.00 175.10 177.03 1i6m n GLY 180 N 2.10 0.46 0.26 4.51 0.00 -1.26 -4.92 105.19 106.34 1i6m n GLY 180 Ca -0.17 -0.60 0.15 0.00 0.00 0.00 0.00 46.02 45.40 1i6m n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i6m h ALA 181 N 0.00 1.00 -1.74 4.61 0.00 -1.82 -3.28 119.26 118.03 1i6m h ALA 181 Ca 0.00 -0.06 -0.39 0.00 0.00 0.00 0.00 54.91 54.46 1i6m h ALA 181 Cb 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 17.50 1i6m h ALA 181 CO 0.00 0.08 -0.76 -2.13 0.00 0.00 0.00 179.25 176.44 1i6m n ARG 182 N -3.18 0.35 -2.14 0.00 0.63 -1.26 -1.01 116.66 110.05 1i6m n ARG 182 Ca 0.01 -2.66 -0.42 0.00 -0.92 0.00 0.00 57.85 53.86 1i6m n ARG 182 Cb 0.37 -1.58 -0.03 0.00 0.45 0.00 0.00 32.46 31.67 1i6m n ARG 182 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1i6m s ILE 183 N 0.42 3.25 0.36 5.15 -1.09 -1.26 -4.92 121.20 123.11 1i6m s ILE 183 Ca 0.32 0.88 0.02 0.00 -2.23 0.00 0.00 60.65 59.63 1i6m s ILE 183 Cb 0.02 -3.56 -0.02 0.00 -1.58 0.00 0.00 42.46 37.32 1i6m s ILE 183 CO -0.13 0.06 0.54 -0.04 -1.23 0.00 0.00 174.94 174.14 1i6m s MET 184 N 1.26 3.34 0.49 2.79 -1.94 -1.26 -0.89 119.30 123.10 1i6m s MET 184 Ca 0.65 -0.50 -0.24 0.00 -1.71 0.00 0.00 55.69 53.89 1i6m s MET 184 Cb -0.37 -2.69 -0.07 0.00 2.01 0.00 0.00 34.83 33.71 1i6m s MET 184 CO 0.30 0.08 1.41 0.45 -0.01 0.00 0.00 175.02 177.25 1i6m s SER 185 N -4.09 5.57 0.43 3.03 0.15 0.10 -4.23 113.70 114.67 1i6m s SER 185 Ca 0.42 2.89 0.24 0.00 0.70 0.00 0.00 55.95 60.20 1i6m s SER 185 Cb -0.10 -2.65 0.43 0.00 -1.71 0.00 0.00 66.02 61.99 1i6m s SER 185 CO 0.35 -1.38 1.64 -0.07 1.20 0.00 0.00 173.24 174.98 1i6m h LEU 186 N 1.94 0.00 0.10 3.45 3.38 -1.50 -3.00 115.31 119.68 1i6m h LEU 186 Ca -0.51 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.13 1i6m h LEU 186 Cb 1.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1i6m h LEU 186 CO 0.59 0.00 -1.76 0.58 0.09 0.00 0.00 178.44 177.95 1i6m h VAL 187 N 0.00 0.88 -2.75 1.22 2.07 -1.78 -1.69 116.25 114.20 1i6m h VAL 187 Ca 0.00 -2.58 -0.56 0.00 0.82 0.00 0.00 66.70 64.38 1i6m h VAL 187 Cb 0.95 2.60 -0.40 0.00 -1.52 0.00 0.00 31.29 32.93 1i6m h VAL 187 CO 0.00 0.79 -0.80 -0.62 0.02 0.00 0.00 177.57 176.95 1i6m s ASP 188 N -6.85 3.35 0.00 0.57 -1.08 -1.24 -4.71 116.67 106.70 1i6m s ASP 188 Ca -0.14 -1.79 0.04 0.00 -0.52 0.00 0.00 52.55 50.15 1i6m s ASP 188 Cb 0.07 -0.46 0.26 0.00 -1.46 0.00 0.00 42.92 41.33 1i6m s ASP 188 CO 0.82 -0.37 0.65 -0.81 0.52 0.00 0.00 175.17 175.98 1i6m n PRO 189 N 4.59 0.36 0.00 4.34 -0.04 -1.13 -1.33 135.00 141.79 1i6m n PRO 189 Ca 0.03 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.61 1i6m n PRO 189 Cb 0.39 -1.19 0.13 0.00 -0.04 0.00 0.00 33.50 32.80 1i6m n PRO 189 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1i6m n THR 190 N -0.69 0.00 -4.22 0.52 -2.24 -1.26 -4.74 114.28 101.65 1i6m n THR 190 Ca 0.03 -0.23 -0.31 0.00 -2.27 0.00 0.00 64.05 61.28 1i6m n THR 190 Cb 0.02 0.98 -0.09 0.00 -2.10 0.00 0.00 70.33 69.14 1i6m n THR 190 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1i6m s LYS 191 N -2.46 2.52 0.54 -0.78 1.02 -0.44 -5.04 119.74 115.10 1i6m s LYS 191 Ca 0.21 -0.81 -0.21 0.00 0.02 0.00 0.00 55.97 55.18 1i6m s LYS 191 Cb 0.19 -2.52 -0.05 0.00 -0.52 0.00 0.00 37.83 34.92 1i6m s LYS 191 CO 0.54 0.56 1.20 0.21 -0.92 0.00 0.00 175.35 176.95 1i6m s LYS 192 N -2.03 3.29 -0.15 1.68 2.20 -1.26 0.01 119.74 123.48 1i6m s LYS 192 Ca 0.23 1.84 -0.29 0.00 -0.36 0.00 0.00 55.97 57.38 1i6m s LYS 192 Cb -0.11 -2.13 -0.02 0.00 -1.51 0.00 0.00 37.83 34.06 1i6m s LYS 192 CO 0.15 -0.96 1.23 1.41 -0.36 0.00 0.00 175.35 176.83 1i6m s MET 193 N -3.08 4.26 0.00 4.03 -2.45 -0.07 -3.98 119.30 118.02 1i6m s MET 193 Ca 0.72 1.64 0.08 0.00 -1.25 0.00 0.00 55.69 56.88 1i6m s MET 193 Cb -0.30 -3.71 -0.02 0.00 1.25 0.00 0.00 34.83 32.04 1i6m s MET 193 CO 0.35 -0.65 -0.24 0.45 1.05 0.00 0.00 175.02 175.98 1i6m s SER 194 N 1.82 2.80 0.63 1.11 0.15 -1.26 -4.88 113.70 114.07 1i6m s SER 194 Ca 0.54 -0.47 0.35 0.00 0.70 0.00 0.00 55.95 57.08 1i6m s SER 194 Cb -0.22 -0.29 2.01 0.00 -1.71 0.00 0.00 66.02 65.80 1i6m s SER 194 CO 0.16 0.27 2.24 0.11 1.20 0.00 0.00 173.24 177.21 1i6m h LYS 195 N 5.34 0.00 -0.28 5.44 1.57 -1.94 -2.11 116.57 124.58 1i6m h LYS 195 Ca -0.42 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.34 1i6m h LYS 195 Cb 1.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1i6m h LYS 195 CO 0.46 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.22 1i6m n SER 196 N -3.45 3.86 -4.74 0.86 3.41 -1.26 -4.71 113.62 107.59 1i6m n SER 196 Ca -0.02 -3.07 -0.42 0.00 -0.26 0.00 0.00 58.87 55.10 1i6m n SER 196 Cb 0.16 -0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 63.53 1i6m n SER 196 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1i6m s ASP 197 N -1.93 6.56 0.58 4.04 -1.08 -0.80 -4.85 116.67 119.19 1i6m s ASP 197 Ca 0.43 2.73 0.35 0.00 -0.52 0.00 0.00 52.55 55.55 1i6m s ASP 197 Cb 0.35 -2.62 1.68 0.00 -1.46 0.00 0.00 42.92 40.87 1i6m s ASP 197 CO 0.09 -0.78 2.11 -0.65 0.52 0.00 0.00 175.17 176.45 1i6m h PRO 198 N 5.35 0.00 -4.86 4.34 0.11 -1.93 -3.40 132.00 131.60 1i6m h PRO 198 Ca -0.46 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 64.96 1i6m h PRO 198 Cb 1.22 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.14 1i6m h PRO 198 CO 0.81 0.03 -0.11 1.21 -0.21 0.00 0.00 178.00 179.73 1i6m s ASN 199 N -5.64 6.21 0.38 -2.05 3.84 -1.26 -4.94 114.94 111.48 1i6m s ASN 199 Ca -0.01 -0.82 0.26 0.00 0.21 0.00 0.00 52.86 52.50 1i6m s ASN 199 Cb 0.11 -2.25 1.35 0.00 -0.55 0.00 0.00 41.25 39.91 1i6m s ASN 199 CO 0.52 -0.71 1.80 1.55 -2.79 0.00 0.00 177.10 177.47 1i6m h PRO 200 N 8.83 0.00 0.00 0.43 0.14 -1.94 -0.75 132.00 138.72 1i6m h PRO 200 Ca -0.27 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.87 1i6m h PRO 200 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.24 1i6m h PRO 200 CO 0.87 0.00 0.00 1.63 0.14 0.00 0.00 178.00 180.64 1i6m n LYS 201 N -2.43 0.19 0.22 0.86 4.76 -1.26 -3.22 118.16 117.27 1i6m n LYS 201 Ca -0.01 0.25 0.09 0.00 -2.87 0.00 0.00 58.31 55.78 1i6m n LYS 201 Cb 0.10 -1.76 0.45 0.00 -1.84 0.00 0.00 35.03 31.98 1i6m n LYS 201 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1i6m h ALA 202 N 2.50 1.04 -2.24 7.82 0.00 -1.51 -3.39 119.26 123.49 1i6m h ALA 202 Ca 0.00 -0.23 -0.30 0.00 0.00 0.00 0.00 54.91 54.38 1i6m h ALA 202 Cb 0.55 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.16 1i6m h ALA 202 CO 0.00 0.32 -0.69 1.52 0.00 0.00 0.00 179.25 180.39 1i6m s TYR 203 N -3.70 1.19 -0.16 0.00 -0.85 -1.20 -1.58 117.35 111.05 1i6m s TYR 203 Ca 0.00 -0.87 -0.01 0.00 -0.52 0.00 0.00 57.07 55.68 1i6m s TYR 203 Cb 0.11 -0.65 -0.01 0.00 0.38 0.00 0.00 41.96 41.79 1i6m s TYR 203 CO 0.64 -0.05 -0.13 0.42 -1.52 0.00 0.00 175.55 174.91 1i6m s ILE 204 N -3.48 2.90 0.50 -3.49 1.01 -1.26 -4.97 121.20 112.41 1i6m s ILE 204 Ca 0.18 -0.69 -0.10 0.00 0.00 0.00 0.00 60.65 60.04 1i6m s ILE 204 Cb 0.04 -2.24 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 1i6m s ILE 204 CO 0.01 0.51 0.88 0.42 0.00 0.00 0.00 174.94 176.75 1i6m s THR 205 N 0.75 4.76 -0.98 2.92 -4.23 -1.26 -0.69 115.64 116.92 1i6m s THR 205 Ca -0.05 0.66 0.12 0.00 -1.18 0.00 0.00 61.69 61.24 1i6m s THR 205 Cb -0.15 -3.81 0.10 0.00 1.34 0.00 0.00 72.50 69.98 1i6m s THR 205 CO 0.01 -0.82 1.39 0.18 -0.54 0.00 0.00 174.62 174.84 1i6m n LEU 206 N -2.02 0.02 -1.02 4.79 4.77 -0.41 -1.87 117.00 121.27 1i6m n LEU 206 Ca 0.03 0.51 0.08 0.00 -0.03 0.00 0.00 56.01 56.60 1i6m n LEU 206 Cb 0.54 -0.50 0.24 0.00 -2.33 0.00 0.00 43.42 41.37 1i6m n LEU 206 CO 0.52 -0.31 0.71 0.18 -1.33 0.00 0.00 177.39 177.16 1i6m n LEU 207 N -1.53 3.65 -4.76 2.23 4.77 -1.26 -4.67 117.00 115.43 1i6m n LEU 207 Ca 0.03 -2.23 -0.41 0.00 -0.03 0.00 0.00 56.01 53.37 1i6m n LEU 207 Cb 0.14 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.81 1i6m n LEU 207 CO 0.11 0.79 1.03 -1.81 -1.33 0.00 0.00 177.39 176.19 1i6m s ASP 208 N -1.11 6.72 0.78 -1.43 1.11 -0.78 -5.02 116.67 116.94 1i6m s ASP 208 Ca 0.37 2.67 -0.10 0.00 0.18 0.00 0.00 52.55 55.67 1i6m s ASP 208 Cb 0.22 -2.64 0.08 0.00 1.07 0.00 0.00 42.92 41.65 1i6m s ASP 208 CO 0.20 -0.61 1.13 1.51 1.18 0.00 0.00 175.17 178.58 1i6m s ASP 209 N -0.08 4.55 0.20 0.27 1.47 -1.26 -4.78 116.67 117.03 1i6m s ASP 209 Ca 0.54 0.66 -0.11 0.00 1.18 0.00 0.00 52.55 54.82 1i6m s ASP 209 Cb -0.41 -1.18 0.20 0.00 -0.34 0.00 0.00 42.92 41.19 1i6m s ASP 209 CO 0.49 -1.85 1.80 0.00 0.68 0.00 0.00 175.17 176.29 1i6m h ALA 210 N -0.94 0.81 -0.60 2.11 0.00 -1.98 -0.60 119.26 118.07 1i6m h ALA 210 Ca -0.45 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1i6m h ALA 210 Cb 1.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1i6m h ALA 210 CO 0.63 0.02 0.18 -0.22 0.00 0.00 0.00 179.25 179.86 1i6m h LYS 211 N 0.64 0.92 -0.35 0.00 3.64 -1.99 -0.42 116.57 119.00 1i6m h LYS 211 Ca 0.27 -0.18 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 1i6m h LYS 211 Cb 0.15 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1i6m h LYS 211 CO -0.17 0.80 -0.12 1.15 -2.27 0.00 0.00 179.45 178.84 1i6m h THR 212 N 0.89 1.28 -0.69 1.00 2.02 -1.77 -1.48 112.91 114.16 1i6m h THR 212 Ca 0.20 -1.21 -0.05 0.00 0.77 0.00 0.00 66.41 66.12 1i6m h THR 212 Cb 0.27 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 1i6m h THR 212 CO -0.01 0.40 0.25 0.40 0.37 0.00 0.00 175.52 176.93 1i6m h ILE 213 N 0.48 1.25 -0.01 3.11 2.04 -0.79 -1.06 117.51 122.53 1i6m h ILE 213 Ca 0.08 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1i6m h ILE 213 Cb 0.64 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1i6m h ILE 213 CO 0.04 0.32 0.01 -0.33 0.00 0.00 0.00 178.15 178.19 1i6m h GLU 214 N 1.00 0.01 -0.46 2.37 5.08 -0.91 -0.30 114.58 121.37 1i6m h GLU 214 Ca 0.23 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.63 1i6m h GLU 214 Cb 0.25 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1i6m h GLU 214 CO -0.01 0.01 0.20 0.87 -1.00 0.00 0.00 179.01 179.08 1i6m h LYS 215 N 0.01 0.40 -0.22 2.33 1.57 -1.10 0.14 116.57 119.71 1i6m h LYS 215 Ca 0.00 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 1i6m h LYS 215 Cb -0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1i6m h LYS 215 CO -0.00 0.26 -0.48 0.87 -0.57 0.00 0.00 179.45 179.53 1i6m h LYS 216 N 0.41 0.57 -0.25 3.15 1.57 -0.94 -1.90 116.57 119.19 1i6m h LYS 216 Ca 0.20 -0.32 -0.16 0.00 -1.87 0.00 0.00 60.65 58.50 1i6m h LYS 216 Cb 0.15 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1i6m h LYS 216 CO -0.17 0.92 -0.46 0.82 -0.57 0.00 0.00 179.45 179.99 1i6m h ILE 217 N 0.45 1.30 -0.59 1.86 1.08 -0.75 -2.60 117.51 118.28 1i6m h ILE 217 Ca 0.02 -1.66 -0.04 0.00 -0.39 0.00 0.00 64.86 62.80 1i6m h ILE 217 Cb 1.00 1.74 -0.03 0.00 -3.07 0.00 0.00 36.82 36.46 1i6m h ILE 217 CO 0.09 0.53 0.22 0.11 -0.69 0.00 0.00 178.15 178.41 1i6m h LYS 218 N 0.48 0.86 0.00 2.37 6.56 -0.63 -2.20 116.57 124.01 1i6m h LYS 218 Ca 0.01 -0.14 0.00 0.00 -1.06 0.00 0.00 60.65 59.46 1i6m h LYS 218 Cb 1.07 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 32.58 1i6m h LYS 218 CO 0.10 0.72 0.00 0.43 -2.06 0.00 0.00 179.45 178.64 1i6m n SER 219 N -4.31 0.18 -4.67 0.86 7.64 -0.72 -4.89 113.62 107.71 1i6m n SER 219 Ca 0.05 0.52 -0.49 0.00 1.01 0.00 0.00 58.87 59.96 1i6m n SER 219 Cb 0.18 -0.57 -0.05 0.00 -1.01 0.00 0.00 64.21 62.76 1i6m n SER 219 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i6m n ALA 220 N -1.56 0.61 -1.75 -0.43 0.00 -0.83 -4.87 120.51 111.67 1i6m n ALA 220 Ca 0.06 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.48 1i6m n ALA 220 Cb 0.33 -2.34 -0.02 0.00 0.00 0.00 0.00 19.45 17.42 1i6m n ALA 220 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1i6m s VAL 221 N 2.27 2.02 0.00 0.00 1.01 -0.64 -4.97 120.40 120.08 1i6m s VAL 221 Ca 0.87 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.86 1i6m s VAL 221 Cb -0.78 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1i6m s VAL 221 CO 0.48 0.00 0.00 0.35 0.00 0.00 0.00 175.10 175.93 1i6m n THR 222 N 2.38 0.00 -3.82 3.92 -2.24 -1.26 -4.40 114.28 108.86 1i6m n THR 222 Ca 0.09 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.77 1i6m n THR 222 Cb 0.37 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.59 1i6m n THR 222 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1i6m n ASP 223 N 0.00 -1.35 -1.21 3.42 5.68 -1.26 -4.69 116.55 117.13 1i6m n ASP 223 Ca 0.00 -2.40 0.12 0.00 -0.50 0.00 0.00 54.79 52.01 1i6m n ASP 223 Cb 0.00 2.38 0.24 0.00 -1.14 0.00 0.00 41.12 42.61 1i6m n ASP 223 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1i6m n SER 224 N -1.61 3.60 -0.24 -1.12 3.41 -1.26 -4.38 113.62 112.01 1i6m n SER 224 Ca -0.02 -2.00 0.15 0.00 -0.26 0.00 0.00 58.87 56.74 1i6m n SER 224 Cb 0.46 -0.31 0.66 0.00 -0.26 0.00 0.00 64.21 64.77 1i6m n SER 224 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1i6m n GLU 225 N 1.55 1.21 -1.30 4.33 2.13 -1.26 -4.94 120.64 122.36 1i6m n GLU 225 Ca 0.21 -0.49 0.00 0.00 0.66 0.00 0.00 57.16 57.54 1i6m n GLU 225 Cb 0.61 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.83 1i6m n GLU 225 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i6m n GLY 226 N 1.15 -0.14 3.40 8.31 0.00 -1.26 -4.89 105.19 111.77 1i6m n GLY 226 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1i6m n GLY 226 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i6m s THR 227 N -1.14 3.16 -1.00 2.61 2.01 -1.26 -4.65 115.64 115.37 1i6m s THR 227 Ca 0.00 -0.63 -0.17 0.00 0.31 0.00 0.00 61.69 61.20 1i6m s THR 227 Cb 0.00 -2.32 0.16 0.00 0.01 0.00 0.00 72.50 70.34 1i6m s THR 227 CO 0.00 0.53 1.17 -0.63 -0.69 0.00 0.00 174.62 175.00 1i6m s ILE 228 N 0.20 4.95 -0.04 1.82 1.01 -1.26 -4.94 121.20 122.94 1i6m s ILE 228 Ca -0.07 -2.02 -0.03 0.00 0.00 0.00 0.00 60.65 58.52 1i6m s ILE 228 Cb -0.15 -4.78 0.01 0.00 0.01 0.00 0.00 42.46 37.55 1i6m s ILE 228 CO 0.05 -1.47 0.10 -0.60 0.00 0.00 0.00 174.94 173.01 1i6m s ARG 229 N 1.98 0.12 -0.01 2.79 3.52 -1.26 -4.63 118.95 121.46 1i6m s ARG 229 Ca 0.34 0.13 -0.30 0.00 -0.13 0.00 0.00 55.73 55.76 1i6m s ARG 229 Cb -0.05 0.06 -0.04 0.00 -1.56 0.00 0.00 34.95 33.36 1i6m s ARG 229 CO -0.07 -0.01 1.14 -0.47 -0.81 0.00 0.00 175.30 175.08 1i6m s TYR 230 N 0.03 3.38 -0.39 5.12 5.04 -1.26 -4.61 117.35 124.66 1i6m s TYR 230 Ca -0.00 1.37 0.01 0.00 -2.44 0.00 0.00 57.07 56.01 1i6m s TYR 230 Cb -0.01 -3.34 0.19 0.00 0.35 0.00 0.00 41.96 39.14 1i6m s TYR 230 CO 0.00 -0.96 0.80 0.34 -1.34 0.00 0.00 175.55 174.39 1i6m s ASP 231 N 1.22 -1.07 0.22 4.32 -1.08 -1.26 -5.03 116.67 113.99 1i6m s ASP 231 Ca 0.55 -0.67 -0.10 0.00 -0.52 0.00 0.00 52.55 51.81 1i6m s ASP 231 Cb -0.25 1.37 0.31 0.00 -1.46 0.00 0.00 42.92 42.89 1i6m s ASP 231 CO 0.25 -0.10 1.67 0.50 0.52 0.00 0.00 175.17 178.00 1i6m h LYS 232 N 6.09 0.14 0.11 4.34 3.64 -1.93 0.86 116.57 129.81 1i6m h LYS 232 Ca 0.02 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1i6m h LYS 232 Cb 1.19 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1i6m h LYS 232 CO 0.02 0.09 -0.05 0.93 -2.27 0.00 0.00 179.45 178.17 1i6m h GLU 233 N 0.14 -0.15 0.19 1.90 4.39 -1.97 -2.92 114.58 116.17 1i6m h GLU 233 Ca 0.33 0.01 -0.31 0.00 0.34 0.00 0.00 59.36 59.73 1i6m h GLU 233 Cb 0.53 0.03 0.03 0.00 -0.10 0.00 0.00 28.75 29.25 1i6m h GLU 233 CO -0.51 0.15 -1.33 0.00 -1.16 0.00 0.00 179.01 176.15 1i6m h ALA 234 N 0.41 -0.10 -2.15 3.43 0.00 -1.94 -3.40 119.26 115.50 1i6m h ALA 234 Ca -0.02 -0.81 -0.59 0.00 0.00 0.00 0.00 54.91 53.50 1i6m h ALA 234 Cb 0.36 0.15 -0.41 0.00 0.00 0.00 0.00 17.79 17.89 1i6m h ALA 234 CO 0.03 0.66 -0.78 1.63 0.00 0.00 0.00 179.25 180.78 1i6m n LYS 235 N -3.79 1.83 -0.17 0.00 5.02 0.30 -4.95 118.16 116.39 1i6m n LYS 235 Ca -0.15 -4.13 -0.08 0.00 -2.02 0.00 0.00 58.31 51.93 1i6m n LYS 235 Cb 1.03 -1.88 0.02 0.00 -0.02 0.00 0.00 35.03 34.18 1i6m n LYS 235 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1i6m h PRO 236 N 4.18 0.71 0.53 1.97 0.13 -1.59 -0.04 132.00 137.88 1i6m h PRO 236 Ca 0.15 -0.09 -0.02 0.00 -0.87 0.00 0.00 66.00 65.18 1i6m h PRO 236 Cb 0.74 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.74 1i6m h PRO 236 CO 0.69 0.56 -0.30 0.78 -0.23 0.00 0.00 178.00 179.50 1i6m h GLY 237 N 0.67 -0.82 1.35 1.56 0.00 -1.84 -0.65 103.07 103.34 1i6m h GLY 237 Ca 0.18 0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.77 1i6m h GLY 237 CO -0.03 -0.30 0.02 -2.22 0.00 0.00 0.00 176.54 174.01 1i6m h ILE 238 N -0.78 1.24 -0.60 2.60 1.08 -1.77 -1.57 117.51 117.71 1i6m h ILE 238 Ca -0.06 -0.97 -0.04 0.00 -0.39 0.00 0.00 64.86 63.39 1i6m h ILE 238 Cb 0.63 0.85 -0.03 0.00 -3.07 0.00 0.00 36.82 35.20 1i6m h ILE 238 CO 0.08 0.35 0.22 0.28 -0.69 0.00 0.00 178.15 178.39 1i6m h SER 239 N 0.75 0.84 -0.51 1.72 0.02 -0.88 -0.53 113.55 114.96 1i6m h SER 239 Ca 0.15 -0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 1i6m h SER 239 Cb 0.43 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1i6m h SER 239 CO 0.02 0.79 -0.00 -1.13 -1.14 0.00 0.00 176.83 175.37 1i6m h ASN 240 N 0.84 0.88 -0.46 3.07 -1.24 -0.89 -1.37 115.58 116.40 1i6m h ASN 240 Ca 0.20 -0.31 -0.04 0.00 0.71 0.00 0.00 56.30 56.86 1i6m h ASN 240 Cb 0.23 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.02 1i6m h ASN 240 CO -0.01 0.97 0.16 -0.07 -1.29 0.00 0.00 177.43 177.19 1i6m h LEU 241 N 0.76 0.71 -0.76 0.34 3.38 -1.03 -1.34 115.31 117.37 1i6m h LEU 241 Ca 0.14 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1i6m h LEU 241 Cb 0.52 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1i6m h LEU 241 CO 0.03 0.67 -0.08 -0.07 0.09 0.00 0.00 178.44 179.08 1i6m h LEU 242 N 0.75 0.84 -0.61 1.67 3.38 -0.88 0.20 115.31 120.67 1i6m h LEU 242 Ca 0.17 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1i6m h LEU 242 Cb 0.22 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1i6m h LEU 242 CO -0.01 0.95 0.07 0.78 0.09 0.00 0.00 178.44 180.32 1i6m h ASN 243 N 0.77 1.00 -0.34 -0.43 -0.26 -0.21 0.58 115.58 116.69 1i6m h ASN 243 Ca 0.13 -0.28 -0.05 0.00 -0.56 0.00 0.00 56.30 55.55 1i6m h ASN 243 Cb 0.58 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.56 1i6m h ASN 243 CO 0.04 1.02 0.04 0.40 -1.06 0.00 0.00 177.43 177.87 1i6m h ILE 244 N 0.93 1.25 -0.18 2.81 2.04 -1.10 -1.20 117.51 122.05 1i6m h ILE 244 Ca 0.18 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 1i6m h ILE 244 Cb 0.47 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1i6m h ILE 244 CO 0.02 0.29 0.10 0.22 0.00 0.00 0.00 178.15 178.78 1i6m h TYR 245 N 0.41 0.25 0.09 1.37 -0.00 -0.79 -1.85 116.97 116.44 1i6m h TYR 245 Ca 0.10 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.73 58.82 1i6m h TYR 245 Cb 0.39 -0.08 0.00 0.00 -0.00 0.00 0.00 36.73 37.04 1i6m h TYR 245 CO 0.03 0.24 -0.04 1.03 -0.00 0.00 0.00 178.16 179.42 1i6m h SER 246 N 0.18 -0.10 -0.21 -2.11 0.87 -0.77 -0.66 113.55 110.75 1i6m h SER 246 Ca 0.06 -0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.46 1i6m h SER 246 Cb 0.08 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1i6m h SER 246 CO -0.01 0.01 -0.13 0.71 -0.53 0.00 0.00 176.83 176.89 1i6m h THR 247 N -0.20 1.24 0.01 2.23 1.35 -1.20 -1.21 112.91 115.14 1i6m h THR 247 Ca -0.01 -1.09 -0.22 0.00 -0.55 0.00 0.00 66.41 64.53 1i6m h THR 247 Cb 0.17 1.12 -0.03 0.00 -1.73 0.00 0.00 68.15 67.68 1i6m h THR 247 CO 0.02 0.36 -1.04 -0.07 -0.25 0.00 0.00 175.52 174.54 1i6m h LEU 248 N 0.55 0.05 0.00 3.87 3.38 -1.16 -3.35 115.31 118.65 1i6m h LEU 248 Ca 0.10 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1i6m h LEU 248 Cb 0.54 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1i6m h LEU 248 CO 0.03 1.04 -1.35 0.77 0.09 0.00 0.00 178.44 179.02 1i6m h SER 249 N 0.01 0.00 0.00 -0.43 4.64 -1.05 -3.48 113.55 113.24 1i6m h SER 249 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1i6m h SER 249 Cb 1.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 1i6m h SER 249 CO 0.14 0.54 0.00 0.61 -0.87 0.00 0.00 176.83 177.25 1i6m n GLY 250 N 1.38 0.72 3.81 -0.77 0.00 -0.46 -5.04 105.19 104.82 1i6m n GLY 250 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1i6m n GLY 250 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i6m s GLN 251 N -0.56 4.11 0.90 1.61 -0.21 -1.19 -5.03 119.66 119.30 1i6m s GLN 251 Ca 0.00 0.59 -0.11 0.00 0.02 0.00 0.00 55.36 55.86 1i6m s GLN 251 Cb 0.00 -3.26 0.13 0.00 1.00 0.00 0.00 33.01 30.89 1i6m s GLN 251 CO 0.00 0.59 1.10 -1.54 -2.12 0.00 0.00 175.29 173.32 1i6m s SER 252 N -0.87 3.26 0.30 5.90 1.04 -1.26 -4.26 113.70 117.81 1i6m s SER 252 Ca 0.27 1.77 0.03 0.00 0.48 0.00 0.00 55.95 58.50 1i6m s SER 252 Cb -0.18 -2.39 0.47 0.00 0.10 0.00 0.00 66.02 64.03 1i6m s SER 252 CO 0.16 -2.81 1.77 0.40 0.98 0.00 0.00 173.24 173.73 1i6m h ILE 253 N -1.67 1.25 -0.10 -1.02 1.08 -1.94 -2.14 117.51 112.97 1i6m h ILE 253 Ca -0.48 -1.13 -0.01 0.00 -0.39 0.00 0.00 64.86 62.85 1i6m h ILE 253 Cb 1.27 1.25 -0.00 0.00 -3.07 0.00 0.00 36.82 36.26 1i6m h ILE 253 CO 0.50 0.36 0.01 -0.33 -0.69 0.00 0.00 178.15 178.00 1i6m h GLU 254 N 0.44 0.17 -0.38 2.37 5.08 -1.99 -1.30 114.58 118.96 1i6m h GLU 254 Ca 0.07 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1i6m h GLU 254 Cb 0.57 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.73 1i6m h GLU 254 CO 0.04 0.41 -0.12 0.93 -1.00 0.00 0.00 179.01 179.27 1i6m h GLU 255 N -0.09 -0.03 -0.63 2.33 5.08 -1.88 -1.20 114.58 118.15 1i6m h GLU 255 Ca 0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1i6m h GLU 255 Cb 0.33 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1i6m h GLU 255 CO 0.00 -0.02 0.22 -0.07 -1.00 0.00 0.00 179.01 178.14 1i6m h LEU 256 N -0.03 0.87 -0.62 1.33 3.38 -1.23 0.75 115.31 119.75 1i6m h LEU 256 Ca 0.19 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1i6m h LEU 256 Cb 0.32 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1i6m h LEU 256 CO -0.41 0.80 -0.02 -0.33 0.09 0.00 0.00 178.44 178.57 1i6m h GLU 257 N 0.92 1.06 0.32 1.13 5.08 -0.66 -1.30 114.58 121.14 1i6m h GLU 257 Ca 0.21 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1i6m h GLU 257 Cb 0.23 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1i6m h GLU 257 CO -0.01 1.05 -0.15 0.00 -1.00 0.00 0.00 179.01 178.89 1i6m h ARG 258 N 0.97 -0.41 -1.00 2.33 3.08 -0.85 -1.49 114.38 117.00 1i6m h ARG 258 Ca 0.17 0.03 0.21 0.00 0.07 0.00 0.00 59.98 60.46 1i6m h ARG 258 Cb 0.58 0.09 -0.11 0.00 0.08 0.00 0.00 29.97 30.62 1i6m h ARG 258 CO 0.03 -0.15 0.61 0.37 -1.07 0.00 0.00 179.97 179.76 1i6m h GLN 259 N -0.63 0.64 -0.63 0.04 4.15 -0.75 -0.31 115.11 117.61 1i6m h GLN 259 Ca -0.04 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1i6m h GLN 259 Cb 0.45 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1i6m h GLN 259 CO 0.07 0.42 0.00 0.66 -1.93 0.00 0.00 178.83 178.05 1i6m n TYR 260 N -4.77 1.77 -1.73 3.99 4.01 -0.50 -4.91 117.16 115.03 1i6m n TYR 260 Ca 0.24 -0.64 -0.42 0.00 -0.16 0.00 0.00 57.90 56.92 1i6m n TYR 260 Cb 0.66 -0.39 -0.02 0.00 -0.31 0.00 0.00 39.34 39.27 1i6m n TYR 260 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1i6m n GLU 261 N 0.79 2.62 -0.30 -0.72 2.13 -0.13 -0.53 120.64 124.48 1i6m n GLU 261 Ca 0.26 0.93 0.00 0.00 0.66 0.00 0.00 57.16 59.01 1i6m n GLU 261 Cb 1.04 -2.72 0.00 0.00 0.27 0.00 0.00 31.44 30.03 1i6m n GLU 261 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i6m n GLY 262 N 2.62 1.14 3.91 8.31 0.00 -1.26 -4.98 105.19 114.92 1i6m n GLY 262 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1i6m n GLY 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i6m s LYS 263 N -0.19 3.59 0.48 1.61 1.02 0.31 -5.10 119.74 121.45 1i6m s LYS 263 Ca 0.00 0.11 0.09 0.00 0.02 0.00 0.00 55.97 56.19 1i6m s LYS 263 Cb 0.00 -2.48 0.04 0.00 -0.52 0.00 0.00 37.83 34.87 1i6m s LYS 263 CO 0.00 -0.03 0.65 0.20 -0.92 0.00 0.00 175.35 175.25 1i6m s GLY 264 N -3.75 1.87 0.40 -3.33 0.00 -1.26 -4.59 107.32 96.67 1i6m s GLY 264 Ca 0.46 -1.86 0.07 0.00 0.00 0.00 0.00 44.72 43.39 1i6m s GLY 264 CO 0.38 -1.58 2.01 -0.97 0.00 0.00 0.00 173.10 172.94 1i6m h TYR 265 N 0.47 0.46 0.49 1.90 0.99 -1.98 -2.95 116.97 116.35 1i6m h TYR 265 Ca -0.36 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.35 1i6m h TYR 265 Cb 1.28 -0.15 -0.02 0.00 1.00 0.00 0.00 36.73 38.85 1i6m h TYR 265 CO 0.42 0.35 -0.40 0.78 -0.00 0.00 0.00 178.16 179.31 1i6m h GLY 266 N 0.60 -1.01 1.01 3.88 0.00 -1.99 0.18 103.07 105.74 1i6m h GLY 266 Ca 0.12 0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.88 1i6m h GLY 266 CO -0.02 -0.34 0.31 -0.24 0.00 0.00 0.00 176.54 176.26 1i6m h VAL 267 N -0.88 1.24 -0.50 4.60 3.04 -1.98 -0.88 116.25 120.87 1i6m h VAL 267 Ca -0.05 -0.69 0.02 0.00 -1.01 0.00 0.00 66.70 64.97 1i6m h VAL 267 Cb 0.76 0.40 -0.03 0.00 -2.01 0.00 0.00 31.29 30.41 1i6m h VAL 267 CO -0.02 0.28 0.30 0.15 -1.01 0.00 0.00 177.57 177.28 1i6m h PHE 268 N 0.97 0.57 -0.25 3.17 3.57 -1.33 -0.50 116.94 123.14 1i6m h PHE 268 Ca 0.24 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.61 1i6m h PHE 268 Cb 0.15 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1i6m h PHE 268 CO 0.01 0.33 -0.44 0.87 -2.23 0.00 0.00 178.31 176.85 1i6m h LYS 269 N 0.61 0.62 -0.30 1.11 1.57 -0.39 -0.76 116.57 119.03 1i6m h LYS 269 Ca 0.20 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1i6m h LYS 269 Cb 0.01 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1i6m h LYS 269 CO -0.09 0.94 0.15 0.00 -0.57 0.00 0.00 179.45 179.88 1i6m h ALA 270 N 1.01 0.38 -0.42 3.86 0.00 -0.78 0.08 119.26 123.39 1i6m h ALA 270 Ca 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1i6m h ALA 270 Cb 0.97 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1i6m h ALA 270 CO 0.09 -0.07 0.20 -0.44 0.00 0.00 0.00 179.25 179.03 1i6m h ASP 271 N 0.35 0.55 -0.24 0.00 3.45 -0.86 -2.49 116.42 117.18 1i6m h ASP 271 Ca 0.10 -0.13 -0.00 0.00 0.43 0.00 0.00 57.03 57.43 1i6m h ASP 271 Cb 0.10 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 1i6m h ASP 271 CO -0.01 0.52 0.14 0.25 -1.57 0.00 0.00 179.24 178.57 1i6m h LEU 272 N 0.54 0.30 -1.45 1.55 5.85 -0.93 -1.29 115.31 119.88 1i6m h LEU 272 Ca 0.15 -0.07 0.13 0.00 0.84 0.00 0.00 57.88 58.93 1i6m h LEU 272 Cb 0.12 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 1i6m h LEU 272 CO -0.02 0.27 0.52 0.00 -0.34 0.00 0.00 178.44 178.88 1i6m h ALA 273 N 1.03 1.95 -0.04 1.25 0.00 -0.84 1.00 119.26 123.61 1i6m h ALA 273 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 1i6m h ALA 273 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1i6m h ALA 273 CO -0.02 -0.15 -0.81 0.37 0.00 0.00 0.00 179.25 178.65 1i6m h GLN 274 N 0.56 0.34 -0.50 0.00 5.75 -0.97 -1.21 115.11 119.09 1i6m h GLN 274 Ca 0.39 -0.31 -0.06 0.00 -0.15 0.00 0.00 58.65 58.51 1i6m h GLN 274 Cb 0.71 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.32 1i6m h GLN 274 CO -0.15 0.98 0.08 0.28 -2.65 0.00 0.00 178.83 177.38 1i6m h VAL 275 N 0.21 1.25 -0.51 2.39 2.07 0.08 0.86 116.25 122.60 1i6m h VAL 275 Ca -0.04 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1i6m h VAL 275 Cb 1.40 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1i6m h VAL 275 CO 0.13 0.33 0.29 0.58 0.02 0.00 0.00 177.57 178.93 1i6m h VAL 276 N 0.70 1.17 -0.31 2.57 2.07 -0.70 -1.87 116.25 119.87 1i6m h VAL 276 Ca 0.15 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1i6m h VAL 276 Cb 0.39 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1i6m h VAL 276 CO 0.01 0.18 0.17 0.40 0.02 0.00 0.00 177.57 178.34 1i6m h ILE 277 N 0.68 1.01 -0.81 4.57 2.04 -0.95 0.15 117.51 124.21 1i6m h ILE 277 Ca 0.18 -0.12 0.09 0.00 1.00 0.00 0.00 64.86 66.02 1i6m h ILE 277 Cb 0.03 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 1i6m h ILE 277 CO -0.03 0.06 0.53 -0.33 0.00 0.00 0.00 178.15 178.38 1i6m h GLU 278 N 0.34 0.74 -0.02 2.37 5.08 -0.57 -0.70 114.58 121.82 1i6m h GLU 278 Ca 0.13 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1i6m h GLU 278 Cb 0.03 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.11 1i6m h GLU 278 CO -0.08 0.49 -0.34 1.15 -1.00 0.00 0.00 179.01 179.23 1i6m h THR 279 N 0.76 1.48 0.01 1.13 2.02 -0.76 -3.38 112.91 114.18 1i6m h THR 279 Ca 0.37 -1.89 -0.21 0.00 0.77 0.00 0.00 66.41 65.45 1i6m h THR 279 Cb 0.42 2.58 -0.03 0.00 -1.74 0.00 0.00 68.15 69.38 1i6m h THR 279 CO -0.14 0.53 -1.01 -0.07 0.37 0.00 0.00 175.52 175.20 1i6m h LEU 280 N -0.31 0.05 -0.38 2.58 3.38 -0.69 -3.33 115.31 116.62 1i6m h LEU 280 Ca -0.04 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 57.96 1i6m h LEU 280 Cb 1.05 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.71 1i6m h LEU 280 CO 0.07 1.02 -0.10 -0.09 0.09 0.00 0.00 178.44 179.43 1i6m h ARG 281 N 0.01 -0.00 -0.45 1.13 2.43 -1.30 0.76 114.38 116.96 1i6m h ARG 281 Ca -0.02 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 1i6m h ARG 281 Cb 1.75 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.29 1i6m h ARG 281 CO 0.14 -0.00 -0.21 -1.00 -1.51 0.00 0.00 179.97 177.38 1i6m h PRO 282 N -0.00 0.91 -0.12 0.20 0.13 -1.77 -1.79 132.00 129.55 1i6m h PRO 282 Ca 0.18 -0.38 0.03 0.00 -0.87 0.00 0.00 66.00 64.96 1i6m h PRO 282 Cb 0.28 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.35 1i6m h PRO 282 CO -0.39 1.03 -0.05 0.82 -0.23 0.00 0.00 178.00 179.18 1i6m h ILE 283 N 0.79 0.83 -0.68 -3.56 2.04 -1.52 -1.87 117.51 113.54 1i6m h ILE 283 Ca 0.11 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.00 1i6m h ILE 283 Cb 0.77 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 1i6m h ILE 283 CO 0.06 0.00 0.45 1.56 0.00 0.00 0.00 178.15 180.22 1i6m h GLN 284 N -0.03 0.79 -0.38 2.37 4.20 -0.51 0.89 115.11 122.43 1i6m h GLN 284 Ca 0.07 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 1i6m h GLN 284 Cb 0.13 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1i6m h GLN 284 CO -0.14 0.52 0.01 0.93 -0.67 0.00 0.00 178.83 179.48 1i6m h GLU 285 N 0.81 0.66 -0.37 1.46 4.39 -1.03 -1.99 114.58 118.52 1i6m h GLU 285 Ca 0.27 -0.21 -0.11 0.00 0.34 0.00 0.00 59.36 59.65 1i6m h GLU 285 Cb 0.07 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1i6m h GLU 285 CO -0.08 0.76 -0.23 0.00 -1.16 0.00 0.00 179.01 178.30 1i6m h ARG 286 N 0.49 0.73 -0.13 2.33 3.08 -0.97 -3.00 114.38 116.91 1i6m h ARG 286 Ca 0.11 -0.29 0.04 0.00 0.07 0.00 0.00 59.98 59.90 1i6m h ARG 286 Cb 0.45 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 1i6m h ARG 286 CO 0.02 0.89 -0.11 -0.92 -1.07 0.00 0.00 179.97 178.77 1i6m h TYR 287 N 0.63 -0.28 -0.94 3.04 3.20 -0.54 -0.84 116.97 121.24 1i6m h TYR 287 Ca 0.09 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 1i6m h TYR 287 Cb 0.73 0.15 -0.05 0.00 1.54 0.00 0.00 36.73 39.10 1i6m h TYR 287 CO 0.04 -0.17 0.56 0.45 -1.64 0.00 0.00 178.16 177.39 1i6m h HIS 288 N -0.13 1.25 0.04 -3.82 3.86 -1.32 -0.54 115.15 114.49 1i6m h HIS 288 Ca 0.09 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.31 1i6m h HIS 288 Cb 0.26 -0.41 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 1i6m h HIS 288 CO -0.24 0.83 -0.16 1.25 0.86 0.00 0.00 177.93 180.48 1i6m h HIS 289 N 1.30 -0.40 -0.91 2.45 -0.00 -1.23 -2.07 115.15 114.30 1i6m h HIS 289 Ca 0.34 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.72 1i6m h HIS 289 Cb -0.05 0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 27.49 1i6m h HIS 289 CO 0.01 -0.23 0.58 -1.49 -0.00 0.00 0.00 177.93 176.79 1i6m h TRP 290 N -0.28 1.17 0.00 5.26 4.06 -0.71 -1.88 115.95 123.57 1i6m h TRP 290 Ca 0.04 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.99 1i6m h TRP 290 Cb 0.32 -0.39 -0.00 0.00 -1.00 0.00 0.00 29.16 28.09 1i6m h TRP 290 CO -0.19 0.76 -0.03 0.52 -3.56 0.00 0.00 178.44 175.94 1i6m h MET 291 N 1.24 0.00 -0.25 0.49 2.86 -0.68 -1.29 114.93 117.29 1i6m h MET 291 Ca 0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 1i6m h MET 291 Cb -0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.56 1i6m h MET 291 CO -0.07 0.03 0.00 0.39 1.06 0.00 0.00 176.91 178.32 1i6m n GLU 292 N -4.01 2.38 -4.03 1.72 1.02 -0.74 -4.98 120.64 112.00 1i6m n GLU 292 Ca -0.03 -2.06 -0.32 0.00 -0.02 0.00 0.00 57.16 54.73 1i6m n GLU 292 Cb 0.11 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 29.98 1i6m n GLU 292 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1i6m s SER 293 N -1.67 5.86 0.33 1.62 0.15 -0.49 -4.99 113.70 114.51 1i6m s SER 293 Ca 0.35 0.16 0.26 0.00 0.70 0.00 0.00 55.95 57.42 1i6m s SER 293 Cb 0.22 -1.71 0.90 0.00 -1.71 0.00 0.00 66.02 63.72 1i6m s SER 293 CO 0.31 0.23 1.77 -0.33 1.20 0.00 0.00 173.24 176.42 1i6m h GLU 294 N 3.71 0.00 0.00 5.44 5.08 -1.93 -3.06 114.58 123.82 1i6m h GLU 294 Ca -0.48 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.84 1i6m h GLU 294 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1i6m h GLU 294 CO 0.66 0.00 -0.21 0.93 -1.00 0.00 0.00 179.01 179.39 1i6m h GLU 295 N 0.00 0.00 -0.58 2.33 4.39 -1.94 -2.58 114.58 116.21 1i6m h GLU 295 Ca 0.00 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.75 1i6m h GLU 295 Cb 0.61 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.21 1i6m h GLU 295 CO 0.00 0.21 0.31 1.25 -1.16 0.00 0.00 179.01 179.62 1i6m h LEU 296 N 0.00 0.47 -0.93 1.33 5.85 -1.78 -1.45 115.31 118.80 1i6m h LEU 296 Ca -0.00 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1i6m h LEU 296 Cb 0.55 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1i6m h LEU 296 CO 0.03 0.31 -0.21 0.44 -0.34 0.00 0.00 178.44 178.67 1i6m h ASP 297 N 0.60 0.54 -0.45 1.25 3.32 -1.67 -2.41 116.42 117.60 1i6m h ASP 297 Ca 0.25 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 1i6m h ASP 297 Cb 0.14 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1i6m h ASP 297 CO -0.16 0.75 -0.06 0.03 -1.72 0.00 0.00 179.24 178.08 1i6m h ARG 298 N 0.48 0.83 -0.30 3.56 3.08 -1.31 0.41 114.38 121.14 1i6m h ARG 298 Ca 0.08 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 1i6m h ARG 298 Cb 0.63 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1i6m h ARG 298 CO 0.04 0.92 0.16 0.28 -1.07 0.00 0.00 179.97 180.31 1i6m h VAL 299 N 0.67 1.13 -0.27 2.04 2.07 -1.07 -1.63 116.25 119.19 1i6m h VAL 299 Ca 0.12 -0.35 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 1i6m h VAL 299 Cb 0.59 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1i6m h VAL 299 CO 0.04 0.13 -0.28 -0.07 0.02 0.00 0.00 177.57 177.41 1i6m h LEU 300 N 0.36 0.54 0.32 2.57 3.38 -1.29 -1.18 115.31 120.01 1i6m h LEU 300 Ca 0.10 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1i6m h LEU 300 Cb 0.07 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1i6m h LEU 300 CO -0.02 0.80 -0.15 0.44 0.09 0.00 0.00 178.44 179.60 1i6m h ASP 301 N 0.46 -0.37 -0.76 -0.43 3.32 -0.63 -0.75 116.42 117.27 1i6m h ASP 301 Ca 0.06 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1i6m h ASP 301 Cb 0.72 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.33 1i6m h ASP 301 CO 0.06 -0.26 0.41 -0.33 -1.72 0.00 0.00 179.24 177.40 1i6m h GLU 302 N -0.43 1.07 -0.41 3.56 5.08 -1.14 -1.89 114.58 120.43 1i6m h GLU 302 Ca -0.04 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 1i6m h GLU 302 Cb 0.33 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1i6m h GLU 302 CO 0.07 0.79 -0.11 0.78 -1.00 0.00 0.00 179.01 179.55 1i6m h GLY 303 N 1.12 0.86 1.02 -3.84 0.00 -1.02 -2.21 103.07 99.00 1i6m h GLY 303 Ca 0.27 -0.72 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1i6m h GLY 303 CO -0.04 0.66 0.38 0.00 0.00 0.00 0.00 176.54 177.54 1i6m h ALA 304 N 0.85 0.99 -0.16 3.60 0.00 -0.89 -0.89 119.26 122.75 1i6m h ALA 304 Ca 0.10 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1i6m h ALA 304 Cb 0.64 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1i6m h ALA 304 CO 0.04 0.54 -0.13 1.49 0.00 0.00 0.00 179.25 181.20 1i6m h GLU 305 N 1.08 -0.13 -0.23 0.00 4.81 -1.20 0.22 114.58 119.13 1i6m h GLU 305 Ca 0.27 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1i6m h GLU 305 Cb 0.10 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1i6m h GLU 305 CO -0.04 -0.09 0.02 -0.22 -0.73 0.00 0.00 179.01 177.95 1i6m h LYS 306 N -0.14 0.39 -0.75 1.92 1.63 -1.11 -2.40 116.57 116.12 1i6m h LYS 306 Ca 0.10 -0.12 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 1i6m h LYS 306 Cb 0.29 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.84 1i6m h LYS 306 CO -0.25 0.56 0.37 0.00 -3.45 0.00 0.00 179.45 176.68 1i6m h ALA 307 N 0.82 0.97 -0.75 5.00 0.00 -1.06 -2.37 119.26 121.87 1i6m h ALA 307 Ca 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1i6m h ALA 307 Cb 0.37 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1i6m h ALA 307 CO 0.01 0.53 0.42 -0.91 0.00 0.00 0.00 179.25 179.30 1i6m h ASN 308 N 1.06 0.93 -0.39 0.00 2.35 -0.52 0.75 115.58 119.77 1i6m h ASN 308 Ca 0.26 -0.09 0.02 0.00 -0.55 0.00 0.00 56.30 55.94 1i6m h ASN 308 Cb 0.11 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 1i6m h ASN 308 CO -0.03 0.75 0.22 0.03 -1.65 0.00 0.00 177.43 176.75 1i6m h ARG 309 N 1.04 0.44 -0.03 0.81 3.08 -0.94 -1.11 114.38 117.67 1i6m h ARG 309 Ca 0.27 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.22 1i6m h ARG 309 Cb 0.02 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1i6m h ARG 309 CO -0.04 0.29 -0.27 0.28 -1.07 0.00 0.00 179.97 179.15 1i6m h VAL 310 N 0.45 1.48 -0.29 2.04 2.07 -1.12 -3.24 116.25 117.65 1i6m h VAL 310 Ca 0.16 -1.81 -0.12 0.00 0.82 0.00 0.00 66.70 65.74 1i6m h VAL 310 Cb 0.02 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1i6m h VAL 310 CO -0.08 0.51 -0.33 0.00 0.02 0.00 0.00 177.57 177.68 1i6m h ALA 311 N 0.34 0.88 -0.46 1.67 0.00 -0.79 -2.57 119.26 118.33 1i6m h ALA 311 Ca -0.03 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1i6m h ALA 311 Cb 0.97 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1i6m h ALA 311 CO 0.06 0.63 0.08 0.77 0.00 0.00 0.00 179.25 180.78 1i6m h SER 312 N 0.53 0.67 -0.35 0.00 0.02 -1.31 -0.81 113.55 112.30 1i6m h SER 312 Ca 0.06 -0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.76 1i6m h SER 312 Cb 0.83 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 1i6m h SER 312 CO 0.07 0.68 -0.27 -0.33 -1.14 0.00 0.00 176.83 175.85 1i6m h GLU 313 N 0.69 0.80 -0.47 3.45 5.08 -1.55 -1.63 114.58 120.95 1i6m h GLU 313 Ca 0.15 -0.39 -0.08 0.00 -1.00 0.00 0.00 59.36 58.04 1i6m h GLU 313 Cb 0.31 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1i6m h GLU 313 CO 0.00 1.02 -0.02 1.98 -1.00 0.00 0.00 179.01 180.99 1i6m h MET 314 N 0.58 0.78 -0.67 2.33 4.05 -1.04 -2.16 114.93 118.79 1i6m h MET 314 Ca 0.07 -0.22 -0.06 0.00 -0.28 0.00 0.00 59.70 59.21 1i6m h MET 314 Cb 0.84 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.52 1i6m h MET 314 CO 0.07 0.81 0.18 0.28 0.23 0.00 0.00 176.91 178.48 1i6m h VAL 315 N 0.73 1.25 -0.50 -5.77 2.07 -0.85 -0.78 116.25 112.40 1i6m h VAL 315 Ca 0.14 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1i6m h VAL 315 Cb 0.48 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1i6m h VAL 315 CO 0.02 0.35 0.26 -0.09 0.02 0.00 0.00 177.57 178.13 1i6m h ARG 316 N 1.01 0.71 -0.49 1.57 2.43 -0.97 -0.39 114.38 118.26 1i6m h ARG 316 Ca 0.22 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 1i6m h ARG 316 Cb 0.33 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1i6m h ARG 316 CO -0.00 0.58 -0.03 0.87 -1.51 0.00 0.00 179.97 179.88 1i6m h LYS 317 N 0.67 0.84 -0.38 0.20 1.57 -1.17 -1.35 116.57 116.96 1i6m h LYS 317 Ca 0.17 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1i6m h LYS 317 Cb 0.09 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1i6m h LYS 317 CO -0.02 0.87 0.02 0.52 -0.57 0.00 0.00 179.45 180.26 1i6m h MET 318 N 0.78 0.66 -0.41 3.15 2.86 -0.59 -1.06 114.93 120.33 1i6m h MET 318 Ca 0.14 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1i6m h MET 318 Cb 0.51 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 1i6m h MET 318 CO 0.03 0.75 0.25 0.93 1.06 0.00 0.00 176.91 179.93 1i6m h GLU 319 N 0.49 0.49 -0.63 1.72 5.08 -0.91 -1.60 114.58 119.21 1i6m h GLU 319 Ca 0.11 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1i6m h GLU 319 Cb 0.44 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 1i6m h GLU 319 CO 0.02 0.32 0.39 0.37 -1.00 0.00 0.00 179.01 179.11 1i6m h GLN 320 N 0.50 0.75 -0.18 2.33 4.15 -1.12 0.31 115.11 121.85 1i6m h GLN 320 Ca 0.16 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.45 1i6m h GLN 320 Cb -0.01 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 1i6m h GLN 320 CO -0.07 0.50 -0.26 0.00 -1.93 0.00 0.00 178.83 177.07 1i6m h ALA 321 N 1.27 1.23 0.00 3.38 0.00 -0.74 -2.73 119.26 121.68 1i6m h ALA 321 Ca 0.25 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1i6m h ALA 321 Cb 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1i6m h ALA 321 CO -0.10 0.50 -0.53 -1.33 0.00 0.00 0.00 179.25 177.79 1i6m n MET 322 N -4.14 0.26 -1.34 0.00 2.81 -0.64 -4.83 117.12 109.23 1i6m n MET 322 Ca -0.01 0.09 -0.00 0.00 -1.81 0.00 0.00 57.70 55.97 1i6m n MET 322 Cb 0.38 -1.68 -0.00 0.00 -0.71 0.00 0.00 33.22 31.21 1i6m n MET 322 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1i6m n GLY 323 N 1.35 0.39 3.80 3.03 0.00 0.88 -5.06 105.19 109.58 1i6m n GLY 323 Ca 0.04 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 1i6m n GLY 323 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i6m s LEU 324 N -0.11 3.23 0.00 0.99 1.43 -0.05 -4.85 118.68 119.32 1i6m s LEU 324 Ca 0.00 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 1i6m s LEU 324 Cb 0.00 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.70 1i6m s LEU 324 CO 0.00 -1.53 0.00 0.61 0.23 0.00 0.00 176.35 175.66 1i6m n GLY 325 N -1.40 2.78 0.00 -3.19 0.00 -1.26 -4.55 105.19 97.57 1i6m n GLY 325 Ca 0.08 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1i6m n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86