#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gm8 s GLU 21 N 0.00 1.15 -0.31 1.61 -1.05 0.24 -4.98 118.70 115.36 3gm8 s GLU 21 Ca 0.00 -0.27 -0.12 0.00 -0.15 0.00 0.00 54.97 54.43 3gm8 s GLU 21 Cb 0.00 0.53 -0.03 0.00 -0.44 0.00 0.00 34.13 34.19 3gm8 s GLU 21 CO 0.00 -0.47 0.21 0.99 0.95 0.00 0.00 175.26 176.94 3gm8 s THR 22 N -3.04 5.27 -0.23 1.83 2.01 -1.26 -0.82 115.64 119.40 3gm8 s THR 22 Ca -0.01 -0.05 -0.07 0.00 0.31 0.00 0.00 61.69 61.87 3gm8 s THR 22 Cb -0.01 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 3gm8 s THR 22 CO -0.07 0.11 0.07 -0.63 -0.69 0.00 0.00 174.62 173.41 3gm8 s ILE 23 N 1.74 4.43 0.09 1.82 -1.09 -0.13 -4.97 121.20 123.09 3gm8 s ILE 23 Ca 0.06 -0.14 -0.31 0.00 -2.23 0.00 0.00 60.65 58.04 3gm8 s ILE 23 Cb -0.17 -3.05 -0.09 0.00 -1.58 0.00 0.00 42.46 37.57 3gm8 s ILE 23 CO 0.11 0.37 1.78 0.21 -1.23 0.00 0.00 174.94 176.18 3gm8 s ASN 24 N 1.26 6.49 -0.20 3.58 3.84 -1.26 -1.09 114.94 127.55 3gm8 s ASN 24 Ca 0.05 2.65 0.12 0.00 0.21 0.00 0.00 52.86 55.89 3gm8 s ASN 24 Cb -0.15 -2.56 0.43 0.00 -0.55 0.00 0.00 41.25 38.42 3gm8 s ASN 24 CO 0.03 -0.97 1.21 0.33 -2.79 0.00 0.00 177.10 174.91 3gm8 n PHE 25 N 5.85 0.48 0.01 0.43 7.35 -0.40 -4.77 117.46 126.41 3gm8 n PHE 25 Ca 0.17 -1.53 -0.09 0.00 -0.76 0.00 0.00 57.45 55.24 3gm8 n PHE 25 Cb 0.39 -0.25 -0.13 0.00 0.35 0.00 0.00 39.48 39.83 3gm8 n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3gm8 s LYS 27 N -2.64 4.59 -0.49 0.00 1.02 -1.26 -1.46 119.74 119.51 3gm8 s LYS 27 Ca -0.03 1.45 -0.02 0.00 0.02 0.00 0.00 55.97 57.38 3gm8 s LYS 27 Cb 0.09 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.94 3gm8 s LYS 27 CO 0.82 0.02 0.42 0.41 -0.92 0.00 0.00 175.35 176.10 3gm8 n GLY 28 N 2.71 -0.01 3.93 -3.33 0.00 -1.05 -4.98 105.19 102.46 3gm8 n GLY 28 Ca 0.05 0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 3gm8 n GLY 28 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gm8 s TRP 29 N -3.17 3.38 0.00 1.61 0.52 -0.12 -4.85 118.94 116.30 3gm8 s TRP 29 Ca 0.18 0.47 -0.01 0.00 0.02 0.00 0.00 56.10 56.75 3gm8 s TRP 29 Cb -0.02 -2.28 -0.04 0.00 -1.15 0.00 0.00 33.47 29.98 3gm8 s TRP 29 CO 0.33 -0.30 0.13 0.15 0.02 0.00 0.00 176.95 177.28 3gm8 s LYS 30 N -4.62 3.24 0.01 4.98 1.02 0.30 -1.63 119.74 123.05 3gm8 s LYS 30 Ca 0.47 -0.42 0.01 0.00 0.02 0.00 0.00 55.97 56.05 3gm8 s LYS 30 Cb -0.10 -2.97 -0.01 0.00 -0.52 0.00 0.00 37.83 34.23 3gm8 s LYS 30 CO 0.40 0.65 -0.05 0.12 -0.92 0.00 0.00 175.35 175.56 3gm8 s PHE 31 N -1.28 0.40 -0.23 3.18 5.36 -0.08 -1.11 117.98 124.22 3gm8 s PHE 31 Ca 0.26 -0.25 -0.04 0.00 -0.96 0.00 0.00 56.93 55.94 3gm8 s PHE 31 Cb -0.12 -0.25 0.08 0.00 -0.34 0.00 0.00 43.02 42.38 3gm8 s PHE 31 CO 0.17 -0.06 0.09 -1.58 -1.46 0.00 0.00 175.22 172.39 3gm8 s HIS 32 N -0.66 0.57 0.26 10.12 5.65 -0.81 -2.34 115.29 128.08 3gm8 s HIS 32 Ca -0.05 -0.78 -0.30 0.00 0.25 0.00 0.00 55.06 54.18 3gm8 s HIS 32 Cb -0.05 -0.95 -0.10 0.00 -1.18 0.00 0.00 32.58 30.30 3gm8 s HIS 32 CO -0.00 -0.68 1.42 -1.17 -0.65 0.00 0.00 174.74 173.65 3gm8 s LEU 33 N 2.01 4.39 0.00 8.88 2.96 -1.26 -1.99 118.68 133.66 3gm8 s LEU 33 Ca 0.05 2.67 0.00 0.00 -0.22 0.00 0.00 54.13 56.63 3gm8 s LEU 33 Cb -0.16 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.90 3gm8 s LEU 33 CO -0.21 -0.68 0.00 0.61 -1.32 0.00 0.00 176.35 174.75 3gm8 n GLY 34 N 2.00 -1.82 3.61 7.98 0.00 -0.55 -4.90 105.19 111.51 3gm8 n GLY 34 Ca 0.06 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 3gm8 n GLY 34 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gm8 s ASP 35 N -3.92 6.58 0.00 1.61 2.15 -1.14 -4.06 116.67 117.89 3gm8 s ASP 35 Ca 0.00 0.66 0.31 0.00 0.43 0.00 0.00 52.55 53.95 3gm8 s ASP 35 Cb 0.00 -2.55 1.73 0.00 -0.30 0.00 0.00 42.92 41.80 3gm8 s ASP 35 CO 0.00 -1.26 2.12 0.00 -0.17 0.00 0.00 175.17 175.86 3gm8 n ALA 36 N 8.01 2.67 0.00 3.66 0.00 -1.26 -5.02 120.51 128.56 3gm8 n ALA 36 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3gm8 n ALA 36 Cb 0.48 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3gm8 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gm8 n GLY 37 N 1.01 -1.14 0.32 0.00 0.00 -1.26 -4.39 105.19 99.73 3gm8 n GLY 37 Ca 0.23 -1.62 0.16 0.00 0.00 0.00 0.00 46.02 44.79 3gm8 n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gm8 h LYS 38 N 0.00 0.18 0.00 1.61 6.56 -2.06 -1.31 116.57 121.56 3gm8 h LYS 38 Ca 0.00 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.57 3gm8 h LYS 38 Cb 0.00 -0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 31.62 3gm8 h LYS 38 CO 0.00 0.12 -0.02 0.78 -2.06 0.00 0.00 179.45 178.27 3gm8 h GLY 39 N 0.19 0.00 1.73 3.86 0.00 -2.01 -2.84 103.07 103.99 3gm8 h GLY 39 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.94 3gm8 h GLY 39 CO -0.69 0.00 0.00 0.00 0.00 0.00 0.00 176.54 175.85 3gm8 n ALA 40 N -2.23 1.36 0.10 3.60 0.00 -0.49 -2.24 120.51 120.62 3gm8 n ALA 40 Ca -0.03 -0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.42 3gm8 n ALA 40 Cb 0.12 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 3gm8 n ALA 40 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gm8 h SER 41 N 0.00 0.00 -4.35 0.00 4.64 -1.73 -3.46 113.55 108.65 3gm8 h SER 41 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 3gm8 h SER 41 Cb 0.06 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.26 3gm8 h SER 41 CO 0.00 0.45 0.35 -0.94 -0.87 0.00 0.00 176.83 175.82 3gm8 s SER 42 N -6.10 4.50 0.17 4.97 1.04 -0.95 -3.91 113.70 113.42 3gm8 s SER 42 Ca 0.01 1.16 -0.14 0.00 0.48 0.00 0.00 55.95 57.46 3gm8 s SER 42 Cb 0.08 -1.85 0.06 0.00 0.10 0.00 0.00 66.02 64.41 3gm8 s SER 42 CO 0.77 -1.95 1.79 0.28 0.98 0.00 0.00 173.24 175.11 3gm8 h SER 43 N -1.08 0.66 1.63 7.02 0.02 -1.89 -3.32 113.55 116.59 3gm8 h SER 43 Ca -0.47 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 3gm8 h SER 43 Cb 1.28 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.66 3gm8 h SER 43 CO 0.61 0.54 -0.12 0.28 -1.14 0.00 0.00 176.83 177.01 3gm8 h SER 44 N 0.72 0.00 -2.72 3.07 0.02 -1.93 -3.47 113.55 109.24 3gm8 h SER 44 Ca 0.19 -0.02 -0.59 0.00 -0.84 0.00 0.00 61.79 60.53 3gm8 h SER 44 Cb 0.02 0.00 0.13 0.00 0.14 0.00 0.00 62.40 62.69 3gm8 h SER 44 CO -0.03 0.01 -0.05 0.00 -1.14 0.00 0.00 176.83 175.62 3gm8 n TYR 45 N -2.65 0.58 -3.31 3.45 9.36 -1.25 -4.91 117.16 118.42 3gm8 n TYR 45 Ca 0.04 0.60 -0.44 0.00 3.32 0.00 0.00 57.90 61.42 3gm8 n TYR 45 Cb 0.48 -2.14 -0.07 0.00 -0.63 0.00 0.00 39.34 36.98 3gm8 n TYR 45 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3gm8 s ASN 46 N -0.82 6.17 -0.06 2.98 2.47 -1.26 -4.89 114.94 119.54 3gm8 s ASN 46 Ca 0.63 -1.26 0.15 0.00 0.42 0.00 0.00 52.86 52.80 3gm8 s ASN 46 Cb -0.59 -2.22 0.48 0.00 -1.45 0.00 0.00 41.25 37.47 3gm8 s ASN 46 CO 0.57 -0.75 1.40 -0.90 -3.72 0.00 0.00 177.10 173.71 3gm8 n ASP 47 N 5.50 3.64 0.21 -4.21 5.68 -1.26 -4.68 116.55 121.43 3gm8 n ASP 47 Ca -0.11 -2.29 0.15 0.00 -0.50 0.00 0.00 54.79 52.04 3gm8 n ASP 47 Cb 0.44 -0.40 0.69 0.00 -1.14 0.00 0.00 41.12 40.71 3gm8 n ASP 47 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3gm8 h SER 48 N 2.71 0.00 0.24 -1.12 4.64 -2.02 -0.28 113.55 117.73 3gm8 h SER 48 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gm8 h SER 48 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3gm8 h SER 48 CO 0.09 0.00 -0.14 0.00 -0.87 0.00 0.00 176.83 175.91 3gm8 n GLN 49 N -2.59 0.90 -2.57 4.77 6.02 -1.26 -4.96 117.38 117.69 3gm8 n GLN 49 Ca -0.00 -0.42 -0.34 0.00 -0.01 0.00 0.00 57.00 56.23 3gm8 n GLN 49 Cb 0.17 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.90 3gm8 n GLN 49 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3gm8 s TRP 50 N -2.39 3.05 0.40 1.08 0.52 -0.12 -5.04 118.94 116.45 3gm8 s TRP 50 Ca 0.29 1.58 -0.27 0.00 0.02 0.00 0.00 56.10 57.73 3gm8 s TRP 50 Cb 0.20 -3.02 -0.10 0.00 -1.15 0.00 0.00 33.47 29.39 3gm8 s TRP 50 CO 0.47 -0.72 1.37 -2.13 0.02 0.00 0.00 176.95 175.96 3gm8 n ARG 51 N -0.96 2.25 -3.98 4.98 0.63 -0.99 -4.79 116.66 113.79 3gm8 n ARG 51 Ca 0.09 0.79 -0.35 0.00 -0.92 0.00 0.00 57.85 57.46 3gm8 n ARG 51 Cb 0.53 -2.51 -0.11 0.00 0.45 0.00 0.00 32.46 30.82 3gm8 n ARG 51 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3gm8 s ILE 52 N -1.16 4.57 0.28 5.15 1.01 -1.26 -0.91 121.20 128.88 3gm8 s ILE 52 Ca 0.58 -0.10 -0.06 0.00 0.00 0.00 0.00 60.65 61.06 3gm8 s ILE 52 Cb -0.49 -3.08 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 3gm8 s ILE 52 CO 0.60 0.43 0.41 -1.48 0.00 0.00 0.00 174.94 174.89 3gm8 s LEU 53 N 0.73 0.77 -0.00 2.97 0.05 -0.65 -4.99 118.68 117.56 3gm8 s LEU 53 Ca 0.03 -1.25 0.02 0.00 0.05 0.00 0.00 54.13 52.98 3gm8 s LEU 53 Cb -0.13 1.36 -0.04 0.00 -2.05 0.00 0.00 46.19 45.33 3gm8 s LEU 53 CO 0.02 -1.14 -0.02 0.20 -0.55 0.00 0.00 176.35 174.86 3gm8 s ASN 54 N -3.14 4.99 0.36 1.48 0.01 -1.26 -0.95 114.94 116.43 3gm8 s ASN 54 Ca 0.29 -0.04 0.01 0.00 -0.71 0.00 0.00 52.86 52.41 3gm8 s ASN 54 Cb 0.01 -1.27 -0.03 0.00 0.41 0.00 0.00 41.25 40.37 3gm8 s ASN 54 CO 0.14 0.28 0.55 0.27 -1.51 0.00 0.00 177.10 176.83 3gm8 s ILE 55 N -1.06 4.86 0.57 0.60 -5.25 -0.54 -4.52 121.20 115.86 3gm8 s ILE 55 Ca 0.19 -0.55 -0.21 0.00 -0.99 0.00 0.00 60.65 59.09 3gm8 s ILE 55 Cb -0.11 -3.77 -0.04 0.00 2.95 0.00 0.00 42.46 41.49 3gm8 s ILE 55 CO 0.09 -0.48 1.33 -2.84 -1.79 0.00 0.00 174.94 171.26 3gm8 s PRO 56 N -4.32 3.02 -0.20 0.37 0.02 -1.26 -4.70 135.00 127.93 3gm8 s PRO 56 Ca 0.41 2.16 -0.12 0.00 0.02 0.00 0.00 61.00 63.47 3gm8 s PRO 56 Cb -0.10 -2.15 0.06 0.00 0.02 0.00 0.00 34.50 32.33 3gm8 s PRO 56 CO 0.35 -1.26 0.49 -1.58 -0.33 0.00 0.00 177.00 174.68 3gm8 s HIS 57 N -1.35 -0.70 -0.35 6.54 2.46 -0.93 -4.93 115.29 116.02 3gm8 s HIS 57 Ca 0.74 1.49 0.03 0.00 0.47 0.00 0.00 55.06 57.79 3gm8 s HIS 57 Cb -0.39 0.34 0.10 0.00 -0.13 0.00 0.00 32.58 32.50 3gm8 s HIS 57 CO 0.45 -0.37 0.08 0.34 -2.47 0.00 0.00 174.74 172.76 3gm8 s ASP 58 N 1.27 4.86 0.59 9.88 2.15 -1.26 -3.14 116.67 131.02 3gm8 s ASP 58 Ca -0.08 -2.11 0.37 0.00 0.43 0.00 0.00 52.55 51.15 3gm8 s ASP 58 Cb -0.07 -1.67 1.73 0.00 -0.30 0.00 0.00 42.92 42.62 3gm8 s ASP 58 CO -0.12 -0.41 2.12 4.11 -0.17 0.00 0.00 175.17 180.70 3gm8 h TRP 59 N 7.71 0.00 -0.19 -5.34 0.09 -1.69 -2.99 115.95 113.54 3gm8 h TRP 59 Ca -0.06 0.00 -0.15 0.00 0.09 0.00 0.00 58.89 58.77 3gm8 h TRP 59 Cb 1.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.26 3gm8 h TRP 59 CO 0.48 0.02 -0.50 0.77 0.09 0.00 0.00 178.44 179.31 3gm8 h SER 60 N 0.00 0.56 0.03 0.11 0.02 -1.77 -2.69 113.55 109.80 3gm8 h SER 60 Ca -0.00 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3gm8 h SER 60 Cb 0.32 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3gm8 h SER 60 CO 0.00 0.96 0.00 0.00 -1.14 0.00 0.00 176.83 176.65 3gm8 n ILE 61 N -3.98 0.01 1.01 3.27 0.13 -1.13 -2.74 119.36 115.93 3gm8 n ILE 61 Ca -0.02 0.00 0.11 0.00 -1.10 0.00 0.00 62.75 61.74 3gm8 n ILE 61 Cb 0.57 -0.55 0.03 0.00 -0.84 0.00 0.00 39.64 38.84 3gm8 n ILE 61 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 3gm8 n GLU 62 N -1.02 1.45 0.00 9.51 1.02 -1.01 -4.68 120.64 125.91 3gm8 n GLU 62 Ca 0.21 -1.19 0.00 0.00 -0.02 0.00 0.00 57.16 56.16 3gm8 n GLU 62 Cb 0.11 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 3gm8 n GLU 62 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gm8 n GLY 63 N 1.40 3.56 3.38 0.62 0.00 -1.11 -5.01 105.19 108.03 3gm8 n GLY 63 Ca 0.10 -2.02 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 3gm8 n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gm8 s THR 64 N 1.83 3.06 0.19 2.61 2.01 -1.26 -4.91 115.64 119.16 3gm8 s THR 64 Ca 0.00 -0.66 -0.33 0.00 0.31 0.00 0.00 61.69 61.01 3gm8 s THR 64 Cb 0.00 -2.28 -0.14 0.00 0.01 0.00 0.00 72.50 70.09 3gm8 s THR 64 CO 0.00 0.53 1.46 -1.22 -0.69 0.00 0.00 174.62 174.70 3gm8 n TYR 65 N 3.46 2.12 -3.84 4.92 4.01 -1.26 -4.58 117.16 121.99 3gm8 n TYR 65 Ca -0.18 0.39 -0.12 0.00 -0.16 0.00 0.00 57.90 57.83 3gm8 n TYR 65 Cb 0.53 -2.48 -0.13 0.00 -0.31 0.00 0.00 39.34 36.95 3gm8 n TYR 65 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3gm8 s LYS 66 N 0.21 0.11 0.18 -0.72 -0.14 -0.69 -5.04 119.74 113.65 3gm8 s LYS 66 Ca 0.74 0.13 -0.02 0.00 -1.36 0.00 0.00 55.97 55.46 3gm8 s LYS 66 Cb -0.69 0.05 0.08 0.00 -1.68 0.00 0.00 37.83 35.58 3gm8 s LYS 66 CO 0.45 -0.01 1.46 0.37 -0.76 0.00 0.00 175.35 176.85 3gm8 h GLN 67 N 6.01 0.48 0.00 1.68 4.15 -1.93 -3.40 115.11 122.10 3gm8 h GLN 67 Ca -0.25 -0.35 0.00 0.00 0.77 0.00 0.00 58.65 58.82 3gm8 h GLN 67 Cb 1.20 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.95 3gm8 h GLN 67 CO 0.45 0.97 -0.48 1.19 -1.93 0.00 0.00 178.83 179.03 3gm8 n PHE 68 N -3.89 0.00 0.18 3.99 3.72 -1.26 -4.83 117.46 115.37 3gm8 n PHE 68 Ca -0.04 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.42 3gm8 n PHE 68 Cb 0.67 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 39.47 3gm8 n PHE 68 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3gm8 h GLU 69 N 0.00 0.00 0.00 -1.08 4.57 -1.91 -3.02 114.58 113.15 3gm8 h GLU 69 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3gm8 h GLU 69 Cb 0.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 3gm8 h GLU 69 CO 0.00 0.37 -0.00 -0.91 -1.18 0.00 0.00 179.01 177.28 3gm8 h ASN 70 N 0.00 0.00 0.00 1.04 2.35 -1.89 -3.47 115.58 113.60 3gm8 h ASN 70 Ca -0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3gm8 h ASN 70 Cb 1.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.40 3gm8 h ASN 70 CO 0.05 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.44 3gm8 n GLY 71 N 1.18 3.21 3.93 2.83 0.00 -1.14 -4.35 105.19 110.85 3gm8 n GLY 71 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 3gm8 n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gm8 s THR 72 N -2.92 3.01 0.00 2.61 -4.23 -1.26 -4.85 115.64 108.00 3gm8 s THR 72 Ca 0.00 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 3gm8 s THR 72 Cb 0.00 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.62 3gm8 s THR 72 CO 0.00 -0.21 0.00 -0.90 -0.54 0.00 0.00 174.62 172.97 3gm8 n ASP 73 N -2.64 0.34 -0.07 3.99 5.68 -1.26 -4.57 116.55 118.03 3gm8 n ASP 73 Ca 0.06 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.36 3gm8 n ASP 73 Cb 0.59 0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.89 3gm8 n ASP 73 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 3gm8 h TRP 74 N 0.00 0.67 0.19 2.11 5.08 -1.92 0.42 115.95 122.49 3gm8 h TRP 74 Ca 0.00 -0.01 -0.01 0.00 1.08 0.00 0.00 58.89 59.95 3gm8 h TRP 74 Cb 0.00 -0.22 0.00 0.00 -3.00 0.00 0.00 29.16 25.94 3gm8 h TRP 74 CO 0.00 0.48 -0.09 1.96 -1.28 0.00 0.00 178.44 179.52 3gm8 h GLN 75 N 0.69 -0.24 0.00 0.12 4.20 -1.84 0.02 115.11 118.06 3gm8 h GLN 75 Ca 0.18 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3gm8 h GLN 75 Cb 0.05 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3gm8 h GLN 75 CO -0.03 0.17 0.00 -1.13 -0.67 0.00 0.00 178.83 177.17 3gm8 n SER 76 N -4.96 0.21 0.00 1.46 3.41 -1.11 -1.49 113.62 111.14 3gm8 n SER 76 Ca -0.08 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 3gm8 n SER 76 Cb 0.26 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 3gm8 n SER 76 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gm8 n GLY 77 N 0.38 0.75 2.58 5.00 0.00 0.12 -4.06 105.19 109.95 3gm8 n GLY 77 Ca 0.04 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 3gm8 n GLY 77 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gm8 n PHE 78 N -2.47 0.00 -3.56 1.61 3.72 -1.10 -4.82 117.46 110.83 3gm8 n PHE 78 Ca 0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 3gm8 n PHE 78 Cb 0.02 -2.41 -0.02 0.00 -0.94 0.00 0.00 39.48 36.13 3gm8 n PHE 78 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3gm8 s LEU 79 N -2.47 3.62 0.52 4.37 1.43 -1.26 -1.71 118.68 123.18 3gm8 s LEU 79 Ca 0.00 -0.49 -0.19 0.00 -1.03 0.00 0.00 54.13 52.42 3gm8 s LEU 79 Cb 0.00 -2.34 -0.07 0.00 0.03 0.00 0.00 46.19 43.81 3gm8 s LEU 79 CO 0.00 -0.51 1.03 -2.84 0.23 0.00 0.00 176.35 174.27 3gm8 s PRO 80 N -4.12 3.70 0.00 1.29 0.02 -1.26 -4.51 135.00 130.12 3gm8 s PRO 80 Ca 0.46 1.26 0.00 0.00 0.02 0.00 0.00 61.00 62.74 3gm8 s PRO 80 Cb -0.06 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.37 3gm8 s PRO 80 CO 0.29 -0.51 0.00 0.00 -0.33 0.00 0.00 177.00 176.45 3gm8 n ALA 81 N -1.33 0.00 -0.46 -1.55 0.00 -1.26 -4.40 120.51 111.51 3gm8 n ALA 81 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3gm8 n ALA 81 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3gm8 n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gm8 n GLY 82 N 3.07 -0.82 3.88 0.00 0.00 -0.27 -4.90 105.19 106.15 3gm8 n GLY 82 Ca 0.00 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 3gm8 n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gm8 s ILE 83 N 0.00 5.19 0.25 -0.61 1.01 -1.26 -1.65 121.20 124.12 3gm8 s ILE 83 Ca 0.00 -0.39 -0.17 0.00 0.00 0.00 0.00 60.65 60.09 3gm8 s ILE 83 Cb 0.00 -3.48 0.01 0.00 0.01 0.00 0.00 42.46 39.00 3gm8 s ILE 83 CO 0.00 0.21 0.57 -0.44 0.00 0.00 0.00 174.94 175.29 3gm8 s SER 84 N -2.25 -0.18 0.06 3.58 0.01 -0.99 -1.49 113.70 112.44 3gm8 s SER 84 Ca 0.31 -0.74 0.03 0.00 1.31 0.00 0.00 55.95 56.86 3gm8 s SER 84 Cb -0.13 0.64 -0.03 0.00 0.21 0.00 0.00 66.02 66.71 3gm8 s SER 84 CO 0.23 -1.20 -0.09 0.26 0.41 0.00 0.00 173.24 172.85 3gm8 s TRP 85 N -3.96 0.81 0.14 2.43 0.52 -0.84 -1.47 118.94 116.57 3gm8 s TRP 85 Ca 0.16 -0.55 0.08 0.00 0.02 0.00 0.00 56.10 55.81 3gm8 s TRP 85 Cb -0.03 -0.47 -0.04 0.00 -1.15 0.00 0.00 33.47 31.78 3gm8 s TRP 85 CO 0.06 -0.06 -0.18 0.71 0.02 0.00 0.00 176.95 177.50 3gm8 s TYR 86 N -1.66 1.73 -0.05 -1.98 2.02 0.23 -1.93 117.35 115.70 3gm8 s TYR 86 Ca -0.05 -0.47 -0.11 0.00 -0.37 0.00 0.00 57.07 56.07 3gm8 s TYR 86 Cb -0.08 -0.89 0.02 0.00 -0.40 0.00 0.00 41.96 40.61 3gm8 s TYR 86 CO 0.00 0.26 0.26 1.03 -1.57 0.00 0.00 175.55 175.53 3gm8 s ARG 87 N -2.54 0.48 -0.14 -0.62 0.52 -0.27 -0.98 118.95 115.41 3gm8 s ARG 87 Ca 0.12 0.01 -0.21 0.00 -0.52 0.00 0.00 55.73 55.13 3gm8 s ARG 87 Cb -0.07 0.22 0.05 0.00 0.52 0.00 0.00 34.95 35.67 3gm8 s ARG 87 CO 0.05 -0.11 0.54 0.21 0.02 0.00 0.00 175.30 176.02 3gm8 s LYS 88 N -0.71 0.75 -0.10 3.54 2.20 -0.55 -0.54 119.74 124.33 3gm8 s LYS 88 Ca -0.08 0.48 -0.05 0.00 -0.36 0.00 0.00 55.97 55.96 3gm8 s LYS 88 Cb -0.04 0.35 -0.04 0.00 -1.51 0.00 0.00 37.83 36.59 3gm8 s LYS 88 CO 0.02 -0.16 0.09 0.99 -0.36 0.00 0.00 175.35 175.94 3gm8 s THR 89 N -0.35 5.04 0.15 3.43 2.01 -1.26 -0.72 115.64 123.95 3gm8 s THR 89 Ca -0.05 -0.01 -0.08 0.00 0.31 0.00 0.00 61.69 61.86 3gm8 s THR 89 Cb -0.03 -3.19 -0.01 0.00 0.01 0.00 0.00 72.50 69.28 3gm8 s THR 89 CO 0.04 0.58 0.26 0.72 -0.69 0.00 0.00 174.62 175.52 3gm8 s PHE 90 N -1.00 0.40 0.12 4.92 -0.12 -0.38 -4.99 117.98 116.93 3gm8 s PHE 90 Ca 0.15 -0.77 0.07 0.00 -0.05 0.00 0.00 56.93 56.33 3gm8 s PHE 90 Cb -0.12 -0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.15 3gm8 s PHE 90 CO 0.05 -0.68 -0.18 0.95 -0.05 0.00 0.00 175.22 175.31 3gm8 s THR 91 N -3.96 1.56 -0.29 -4.49 -4.23 -1.26 -0.55 115.64 102.42 3gm8 s THR 91 Ca 0.16 -1.65 -0.13 0.00 -1.18 0.00 0.00 61.69 58.89 3gm8 s THR 91 Cb 0.04 -1.56 -0.04 0.00 1.34 0.00 0.00 72.50 72.28 3gm8 s THR 91 CO -0.01 -0.24 0.28 -0.63 -0.54 0.00 0.00 174.62 173.48 3gm8 s ILE 92 N -1.65 5.24 1.30 2.99 1.01 -1.25 -5.03 121.20 123.82 3gm8 s ILE 92 Ca 0.08 0.23 -0.18 0.00 0.00 0.00 0.00 60.65 60.79 3gm8 s ILE 92 Cb -0.08 -3.65 0.33 0.00 0.01 0.00 0.00 42.46 39.08 3gm8 s ILE 92 CO 0.04 0.14 0.97 -2.84 0.00 0.00 0.00 174.94 173.25 3gm8 s PRO 93 N 1.89 -2.02 0.08 2.79 0.02 -1.26 -4.96 135.00 131.54 3gm8 s PRO 93 Ca 0.10 0.49 -0.14 0.00 0.02 0.00 0.00 61.00 61.48 3gm8 s PRO 93 Cb -0.16 -1.45 -0.22 0.00 0.02 0.00 0.00 34.50 32.68 3gm8 s PRO 93 CO 0.11 -4.36 1.20 1.03 -0.33 0.00 0.00 177.00 174.65 3gm8 h SER 94 N -3.07 0.91 -1.10 2.53 0.87 -2.01 -3.24 113.55 108.44 3gm8 h SER 94 Ca -0.54 -0.72 0.30 0.00 -1.23 0.00 0.00 61.79 59.60 3gm8 h SER 94 Cb 1.34 -0.28 -0.09 0.00 -0.44 0.00 0.00 62.40 62.93 3gm8 h SER 94 CO 0.40 1.51 0.72 0.50 -0.53 0.00 0.00 176.83 179.43 3gm8 h LYS 95 N 0.40 0.29 -0.82 2.24 3.11 -2.05 -1.91 116.57 117.83 3gm8 h LYS 95 Ca -0.12 -0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 57.61 3gm8 h LYS 95 Cb 1.64 -0.07 -0.05 0.00 -1.00 0.00 0.00 32.23 32.75 3gm8 h LYS 95 CO 0.20 0.19 0.12 0.91 -2.81 0.00 0.00 179.45 178.05 3gm8 n TRP 96 N -4.59 1.45 0.00 1.91 8.01 -1.22 -4.32 117.44 118.68 3gm8 n TRP 96 Ca 0.27 -0.70 -0.03 0.00 -1.31 0.00 0.00 57.50 55.73 3gm8 n TRP 96 Cb 1.01 -0.45 0.21 0.00 -2.01 0.00 0.00 31.31 30.07 3gm8 n TRP 96 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.69 177.55 3gm8 h LYS 97 N 1.91 0.52 0.00 -0.99 1.57 -1.52 -2.86 116.57 115.20 3gm8 h LYS 97 Ca 0.11 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 3gm8 h LYS 97 Cb 1.62 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.88 3gm8 h LYS 97 CO 0.41 0.70 -0.34 -2.95 -0.57 0.00 0.00 179.45 176.69 3gm8 h ASN 98 N 0.47 0.00 -4.20 0.86 -1.07 -1.84 -3.48 115.58 106.31 3gm8 h ASN 98 Ca 0.07 0.00 -0.48 0.00 0.07 0.00 0.00 56.30 55.96 3gm8 h ASN 98 Cb 0.62 0.00 0.04 0.00 -2.07 0.00 0.00 38.32 36.91 3gm8 h ASN 98 CO 0.04 0.34 0.38 -0.54 0.07 0.00 0.00 177.43 177.72 3gm8 s LYS 99 N -3.32 3.65 0.04 4.14 3.01 -1.08 -4.65 119.74 121.53 3gm8 s LYS 99 Ca 0.02 1.05 -0.19 0.00 -1.01 0.00 0.00 55.97 55.85 3gm8 s LYS 99 Cb 0.09 -2.09 -0.06 0.00 -1.01 0.00 0.00 37.83 34.76 3gm8 s LYS 99 CO 0.69 -0.52 0.55 0.21 0.51 0.00 0.00 175.35 176.79 3gm8 s LYS 100 N -4.13 4.20 -0.13 1.68 2.20 0.12 -4.95 119.74 118.74 3gm8 s LYS 100 Ca 0.61 0.69 -0.01 0.00 -0.36 0.00 0.00 55.97 56.90 3gm8 s LYS 100 Cb -0.13 -3.26 0.03 0.00 -1.51 0.00 0.00 37.83 32.96 3gm8 s LYS 100 CO 0.35 0.58 -0.05 0.08 -0.36 0.00 0.00 175.35 175.95 3gm8 s VAL 101 N -0.88 0.91 0.33 4.02 1.01 -1.26 -0.48 120.40 124.05 3gm8 s VAL 101 Ca 0.29 -0.33 0.09 0.00 0.00 0.00 0.00 61.98 62.02 3gm8 s VAL 101 Cb -0.19 -1.03 -0.06 0.00 0.00 0.00 0.00 36.38 35.10 3gm8 s VAL 101 CO 0.18 0.25 -0.08 -1.10 0.00 0.00 0.00 175.10 174.35 3gm8 s GLN 102 N 1.74 1.75 -0.18 2.72 -0.21 0.12 -0.69 119.66 124.90 3gm8 s GLN 102 Ca 0.03 -1.90 -0.00 0.00 0.02 0.00 0.00 55.36 53.51 3gm8 s GLN 102 Cb -0.13 -1.54 0.01 0.00 1.00 0.00 0.00 33.01 32.34 3gm8 s GLN 102 CO -0.08 0.10 -0.16 -1.50 -2.12 0.00 0.00 175.29 171.54 3gm8 s ILE 103 N -2.73 2.48 -0.26 1.08 2.07 0.25 -0.12 121.20 123.96 3gm8 s ILE 103 Ca 0.32 -0.81 -0.13 0.00 -1.41 0.00 0.00 60.65 58.62 3gm8 s ILE 103 Cb 0.03 -2.06 -0.04 0.00 0.13 0.00 0.00 42.46 40.51 3gm8 s ILE 103 CO 0.15 0.51 0.30 -0.22 -1.91 0.00 0.00 174.94 173.77 3gm8 s LEU 104 N 1.22 4.06 -0.40 8.50 2.96 0.34 -1.62 118.68 133.73 3gm8 s LEU 104 Ca 0.03 0.21 -0.10 0.00 -0.22 0.00 0.00 54.13 54.04 3gm8 s LEU 104 Cb -0.14 -2.31 0.05 0.00 0.50 0.00 0.00 46.19 44.29 3gm8 s LEU 104 CO -0.08 -0.10 0.23 -0.36 -1.32 0.00 0.00 176.35 174.72 3gm8 s PHE 105 N 1.78 3.28 -0.01 5.38 0.08 -0.55 -0.73 117.98 127.22 3gm8 s PHE 105 Ca 0.12 -1.18 0.31 0.00 0.12 0.00 0.00 56.93 56.30 3gm8 s PHE 105 Cb -0.15 -2.66 1.45 0.00 -0.57 0.00 0.00 43.02 41.09 3gm8 s PHE 105 CO 0.09 -0.73 1.92 0.93 -0.10 0.00 0.00 175.22 177.33 3gm8 h GLU 106 N 8.44 0.00 0.00 0.44 5.08 -1.70 -1.91 114.58 124.93 3gm8 h GLU 106 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3gm8 h GLU 106 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3gm8 h GLU 106 CO 0.71 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.13 3gm8 n GLY 107 N -0.51 2.61 2.77 -3.84 0.00 -1.26 -3.69 105.19 101.27 3gm8 n GLY 107 Ca -0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 3gm8 n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gm8 s VAL 108 N -1.04 -0.33 -0.43 1.61 1.01 -1.25 -3.22 120.40 116.74 3gm8 s VAL 108 Ca 0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 3gm8 s VAL 108 Cb 0.00 -0.64 0.04 0.00 0.00 0.00 0.00 36.38 35.77 3gm8 s VAL 108 CO 0.00 -0.16 0.37 -0.47 0.00 0.00 0.00 175.10 174.84 3gm8 s TYR 109 N 2.33 3.22 0.14 5.22 5.04 -0.35 -4.37 117.35 128.58 3gm8 s TYR 109 Ca 0.06 -0.62 -0.01 0.00 -2.44 0.00 0.00 57.07 54.06 3gm8 s TYR 109 Cb -0.15 -2.85 0.00 0.00 0.35 0.00 0.00 41.96 39.31 3gm8 s TYR 109 CO -0.12 -0.69 0.20 1.47 -1.34 0.00 0.00 175.55 175.08 3gm8 n LEU 110 N 5.32 0.00 -3.96 6.97 -0.00 -1.26 -0.79 117.00 123.28 3gm8 n LEU 110 Ca -0.10 -1.12 -0.30 0.00 -0.00 0.00 0.00 56.01 54.48 3gm8 n LEU 110 Cb 0.46 1.04 0.01 0.00 -0.00 0.00 0.00 43.42 44.93 3gm8 n LEU 110 CO 0.44 -0.26 0.03 0.59 -0.00 0.00 0.00 177.39 178.19 3gm8 n ASN 111 N -1.89 -3.69 -4.77 1.45 3.02 -0.92 -1.96 115.26 106.49 3gm8 n ASN 111 Ca 0.00 -0.85 -0.38 0.00 -0.03 0.00 0.00 54.58 53.31 3gm8 n ASN 111 Cb 0.23 -3.60 -0.02 0.00 -0.61 0.00 0.00 39.78 35.78 3gm8 n ASN 111 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3gm8 s SER 112 N -3.52 6.60 0.13 6.41 1.04 -0.98 -3.73 113.70 119.64 3gm8 s SER 112 Ca 0.55 2.35 0.09 0.00 0.48 0.00 0.00 55.95 59.41 3gm8 s SER 112 Cb -0.28 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.18 3gm8 s SER 112 CO 0.85 -0.62 -0.17 -1.61 0.98 0.00 0.00 173.24 172.67 3gm8 s GLU 113 N -2.22 1.83 0.03 4.02 2.02 -0.44 -0.43 118.70 123.51 3gm8 s GLU 113 Ca 0.56 -1.19 0.03 0.00 0.02 0.00 0.00 54.97 54.39 3gm8 s GLU 113 Cb -0.31 -2.12 -0.02 0.00 0.10 0.00 0.00 34.13 31.78 3gm8 s GLU 113 CO 0.39 0.47 -0.09 0.08 0.02 0.00 0.00 175.26 176.13 3gm8 s VAL 114 N -1.23 0.72 -0.00 2.63 1.01 -1.10 -1.37 120.40 121.05 3gm8 s VAL 114 Ca 0.19 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3gm8 s VAL 114 Cb -0.10 -0.68 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 3gm8 s VAL 114 CO 0.11 -0.10 -0.06 0.26 0.00 0.00 0.00 175.10 175.31 3gm8 s TRP 115 N -0.84 0.51 -0.21 5.22 0.51 -0.33 -1.33 118.94 122.48 3gm8 s TRP 115 Ca -0.02 -0.10 0.00 0.00 -2.12 0.00 0.00 56.10 53.86 3gm8 s TRP 115 Cb -0.07 -0.33 0.02 0.00 -0.81 0.00 0.00 33.47 32.28 3gm8 s TRP 115 CO 0.01 -0.01 -0.14 -1.50 -0.51 0.00 0.00 176.95 174.79 3gm8 s ILE 116 N -0.12 2.38 -1.59 2.03 1.10 0.38 -2.00 121.20 123.39 3gm8 s ILE 116 Ca 0.02 -1.01 -0.16 0.00 -0.51 0.00 0.00 60.65 58.99 3gm8 s ILE 116 Cb -0.02 -2.11 0.12 0.00 0.15 0.00 0.00 42.46 40.59 3gm8 s ILE 116 CO -0.00 0.38 0.86 0.59 -2.11 0.00 0.00 174.94 174.66 3gm8 n ASN 117 N 4.62 -4.15 0.00 4.50 3.02 0.02 -0.26 115.26 123.01 3gm8 n ASN 117 Ca -0.19 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 3gm8 n ASN 117 Cb 0.48 -3.35 0.00 0.00 -0.61 0.00 0.00 39.78 36.31 3gm8 n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gm8 n GLY 118 N -1.52 3.40 3.65 7.41 0.00 -1.25 -4.68 105.19 112.20 3gm8 n GLY 118 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3gm8 n GLY 118 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gm8 s HIS 119 N -2.68 3.35 -0.15 1.61 3.76 0.64 -4.85 115.29 116.96 3gm8 s HIS 119 Ca 0.00 0.91 -0.29 0.00 -0.15 0.00 0.00 55.06 55.53 3gm8 s HIS 119 Cb 0.00 -2.82 -0.04 0.00 1.11 0.00 0.00 32.58 30.83 3gm8 s HIS 119 CO 0.00 -0.23 1.64 -0.46 -0.85 0.00 0.00 174.74 174.84 3gm8 s TRP 120 N 2.11 2.05 -0.14 1.40 -0.00 -1.26 -0.47 118.94 122.63 3gm8 s TRP 120 Ca 0.28 0.42 0.17 0.00 -0.00 0.00 0.00 56.10 56.97 3gm8 s TRP 120 Cb -0.16 -3.93 -0.07 0.00 -0.00 0.00 0.00 33.47 29.31 3gm8 s TRP 120 CO 0.10 -3.30 1.02 -0.07 -0.00 0.00 0.00 176.95 174.70 3gm8 h LEU 121 N 11.14 0.00 0.00 5.86 3.38 -1.58 -3.49 115.31 130.63 3gm8 h LEU 121 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3gm8 h LEU 121 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3gm8 h LEU 121 CO 0.98 0.52 0.00 0.61 0.09 0.00 0.00 178.44 180.64 3gm8 n GLY 122 N 1.33 2.95 3.18 0.83 0.00 -1.26 -5.01 105.19 107.21 3gm8 n GLY 122 Ca -0.06 -1.32 -0.28 0.00 0.00 0.00 0.00 46.02 44.36 3gm8 n GLY 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gm8 s LYS 123 N -2.14 2.11 -0.23 1.61 2.20 -1.26 -2.71 119.74 119.31 3gm8 s LYS 123 Ca 0.00 -0.72 -0.02 0.00 -0.36 0.00 0.00 55.97 54.87 3gm8 s LYS 123 Cb 0.00 -1.80 0.07 0.00 -1.51 0.00 0.00 37.83 34.60 3gm8 s LYS 123 CO 0.00 0.28 0.05 0.50 -0.36 0.00 0.00 175.35 175.83 3gm8 s ARG 124 N -0.00 0.68 0.10 4.03 6.06 0.43 -4.98 118.95 125.26 3gm8 s ARG 124 Ca -0.05 -0.62 -0.26 0.00 -2.50 0.00 0.00 55.73 52.30 3gm8 s ARG 124 Cb -0.13 -2.04 -0.12 0.00 0.06 0.00 0.00 34.95 32.72 3gm8 s ARG 124 CO 0.03 -0.75 1.68 -1.35 -2.50 0.00 0.00 175.30 172.41 3gm8 h PRO 125 N 8.20 -0.30 -6.53 5.12 0.11 -1.88 -2.60 132.00 134.12 3gm8 h PRO 125 Ca -0.16 0.02 -0.56 0.00 0.11 0.00 0.00 66.00 65.41 3gm8 h PRO 125 Cb 1.08 0.07 0.05 0.00 0.11 0.00 0.00 31.00 32.32 3gm8 h PRO 125 CO 0.38 -0.20 0.90 -1.71 -0.21 0.00 0.00 178.00 177.16 3gm8 n ASN 126 N -5.26 3.43 -0.47 -2.05 2.85 -1.26 -2.17 115.26 110.32 3gm8 n ASN 126 Ca -0.08 1.06 0.12 0.00 -0.11 0.00 0.00 54.58 55.58 3gm8 n ASN 126 Cb 0.18 -1.47 0.20 0.00 1.24 0.00 0.00 39.78 39.93 3gm8 n ASN 126 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3gm8 n GLY 127 N 3.70 -0.06 0.30 8.20 0.00 -1.26 -4.27 105.19 111.80 3gm8 n GLY 127 Ca 0.17 -0.55 0.03 0.00 0.00 0.00 0.00 46.02 45.68 3gm8 n GLY 127 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gm8 n TYR 128 N -0.03 0.08 -4.03 1.61 4.01 -1.26 -3.83 117.16 113.71 3gm8 n TYR 128 Ca 0.12 -0.15 -0.36 0.00 -0.16 0.00 0.00 57.90 57.35 3gm8 n TYR 128 Cb 0.43 -0.01 -0.08 0.00 -0.31 0.00 0.00 39.34 39.37 3gm8 n TYR 128 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 3gm8 s ILE 129 N -0.69 5.02 0.48 -0.72 1.10 -1.26 -4.66 121.20 120.47 3gm8 s ILE 129 Ca 0.10 0.03 -0.20 0.00 -0.51 0.00 0.00 60.65 60.06 3gm8 s ILE 129 Cb 0.06 -3.19 -0.09 0.00 0.15 0.00 0.00 42.46 39.39 3gm8 s ILE 129 CO 0.09 0.57 1.04 -0.44 -2.11 0.00 0.00 174.94 174.08 3gm8 s SER 130 N -0.57 6.39 -0.04 4.50 0.01 -1.24 -4.40 113.70 118.35 3gm8 s SER 130 Ca 0.11 1.93 -0.28 0.00 1.31 0.00 0.00 55.95 59.02 3gm8 s SER 130 Cb -0.12 -2.56 0.06 0.00 0.21 0.00 0.00 66.02 63.61 3gm8 s SER 130 CO 0.02 -0.75 0.62 0.72 0.41 0.00 0.00 173.24 174.26 3gm8 s PHE 131 N -1.97 -0.58 0.08 2.43 -0.12 -0.72 -4.95 117.98 112.16 3gm8 s PHE 131 Ca 0.67 0.96 0.07 0.00 -0.05 0.00 0.00 56.93 58.58 3gm8 s PHE 131 Cb -0.16 0.36 -0.03 0.00 -0.63 0.00 0.00 43.02 42.56 3gm8 s PHE 131 CO 0.20 -0.58 -0.18 0.14 -0.05 0.00 0.00 175.22 174.75 3gm8 s VAL 132 N -1.29 1.49 0.03 -2.49 -7.23 -1.26 -1.47 120.40 108.18 3gm8 s VAL 132 Ca -0.11 -1.37 0.04 0.00 -1.81 0.00 0.00 61.98 58.72 3gm8 s VAL 132 Cb -0.01 -1.36 -0.02 0.00 0.56 0.00 0.00 36.38 35.55 3gm8 s VAL 132 CO 0.08 -0.05 -0.11 -0.31 -0.31 0.00 0.00 175.10 174.40 3gm8 s TYR 133 N -1.10 0.99 -0.18 2.82 2.02 -0.64 -4.98 117.35 116.29 3gm8 s TYR 133 Ca 0.04 -0.35 -0.20 0.00 -0.37 0.00 0.00 57.07 56.19 3gm8 s TYR 133 Cb -0.10 -0.59 -0.03 0.00 -0.40 0.00 0.00 41.96 40.84 3gm8 s TYR 133 CO 0.03 0.00 0.60 0.34 -1.57 0.00 0.00 175.55 174.95 3gm8 s ASP 134 N -1.09 6.70 -0.11 2.29 2.15 -1.26 -0.58 116.67 124.77 3gm8 s ASP 134 Ca -0.01 0.84 0.20 0.00 0.43 0.00 0.00 52.55 54.01 3gm8 s ASP 134 Cb -0.07 -2.34 -0.29 0.00 -0.30 0.00 0.00 42.92 39.91 3gm8 s ASP 134 CO 0.01 -0.21 0.30 0.18 -0.17 0.00 0.00 175.17 175.27 3gm8 n LEU 135 N 4.73 0.01 -0.35 -1.34 4.77 0.13 -4.68 117.00 120.28 3gm8 n LEU 135 Ca -0.03 0.01 0.09 0.00 -0.03 0.00 0.00 56.01 56.05 3gm8 n LEU 135 Cb 0.50 0.23 0.19 0.00 -2.33 0.00 0.00 43.42 42.01 3gm8 n LEU 135 CO 0.44 0.23 0.70 0.74 -1.33 0.00 0.00 177.39 178.17 3gm8 h THR 136 N 0.00 0.01 0.00 -5.08 2.02 -1.90 0.44 112.91 108.40 3gm8 h THR 136 Ca -0.25 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3gm8 h THR 136 Cb 1.58 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3gm8 h THR 136 CO 0.01 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.09 3gm8 n PRO 137 N -5.59 0.10 -0.04 6.66 -0.04 -1.26 -3.00 135.00 131.83 3gm8 n PRO 137 Ca 0.18 0.23 0.02 0.00 -0.04 0.00 0.00 63.50 63.89 3gm8 n PRO 137 Cb 0.58 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.58 3gm8 n PRO 137 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3gm8 n TYR 138 N -1.37 0.10 -2.59 0.54 4.01 0.16 -5.06 117.16 112.95 3gm8 n TYR 138 Ca 0.04 -0.36 -0.33 0.00 -0.16 0.00 0.00 57.90 57.10 3gm8 n TYR 138 Cb 0.11 -0.03 -0.05 0.00 -0.31 0.00 0.00 39.34 39.06 3gm8 n TYR 138 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3gm8 s LEU 139 N -0.80 3.80 0.48 7.72 1.43 -1.16 -4.83 118.68 125.32 3gm8 s LEU 139 Ca 0.06 1.71 0.02 0.00 -1.03 0.00 0.00 54.13 54.89 3gm8 s LEU 139 Cb 0.04 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.71 3gm8 s LEU 139 CO 0.05 -0.56 0.05 -1.10 0.23 0.00 0.00 176.35 175.02 3gm8 s GLN 140 N -3.50 2.11 0.06 1.70 -0.21 -1.26 -5.09 119.66 113.47 3gm8 s GLN 140 Ca 0.62 -2.33 -0.30 0.00 0.02 0.00 0.00 55.36 53.37 3gm8 s GLN 140 Cb -0.11 -1.18 -0.15 0.00 1.00 0.00 0.00 33.01 32.56 3gm8 s GLN 140 CO 0.21 -0.41 1.46 1.05 -2.12 0.00 0.00 175.29 175.48 3gm8 h GLU 141 N 1.50 -0.88 0.00 2.91 4.11 -2.00 -3.44 114.58 116.78 3gm8 h GLU 141 Ca -0.41 0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.08 3gm8 h GLU 141 Cb 1.30 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.75 3gm8 h GLU 141 CO 0.67 -0.59 0.00 0.41 0.07 0.00 0.00 179.01 179.57 3gm8 n GLY 142 N -1.49 -0.17 3.44 1.06 0.00 -1.26 -4.73 105.19 102.04 3gm8 n GLY 142 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 3gm8 n GLY 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gm8 s LYS 143 N -0.09 3.64 -0.03 1.61 2.20 -1.26 -3.86 119.74 121.96 3gm8 s LYS 143 Ca 0.00 -0.49 0.02 0.00 -0.36 0.00 0.00 55.97 55.15 3gm8 s LYS 143 Cb 0.00 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 33.03 3gm8 s LYS 143 CO 0.00 -0.14 -0.08 -0.80 -0.36 0.00 0.00 175.35 173.97 3gm8 s ASN 144 N 1.47 4.57 -0.17 1.43 0.01 0.29 -4.90 114.94 117.64 3gm8 s ASN 144 Ca 0.06 -0.11 -0.04 0.00 -0.71 0.00 0.00 52.86 52.05 3gm8 s ASN 144 Cb -0.15 -1.08 -0.03 0.00 0.41 0.00 0.00 41.25 40.40 3gm8 s ASN 144 CO 0.03 0.32 -0.03 -1.58 -1.51 0.00 0.00 177.10 174.33 3gm8 s GLN 145 N -1.15 3.65 -0.13 -0.60 2.00 -1.26 -1.25 119.66 120.92 3gm8 s GLN 145 Ca 0.15 -0.52 -0.04 0.00 -2.00 0.00 0.00 55.36 52.95 3gm8 s GLN 145 Cb -0.11 -2.97 -0.03 0.00 0.80 0.00 0.00 33.01 30.70 3gm8 s GLN 145 CO 0.05 0.17 0.02 0.42 -0.50 0.00 0.00 175.29 175.44 3gm8 s ILE 146 N 0.57 4.43 0.02 -2.34 -1.09 0.10 -0.80 121.20 122.09 3gm8 s ILE 146 Ca -0.02 -0.18 0.08 0.00 -2.23 0.00 0.00 60.65 58.29 3gm8 s ILE 146 Cb -0.14 -2.92 -0.02 0.00 -1.58 0.00 0.00 42.46 37.79 3gm8 s ILE 146 CO 0.02 0.54 -0.24 0.00 -1.23 0.00 0.00 174.94 174.04 3gm8 s ALA 147 N -0.27 2.03 -0.06 9.38 0.00 -0.85 -1.49 121.76 130.50 3gm8 s ALA 147 Ca 0.07 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.90 3gm8 s ALA 147 Cb -0.12 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.57 3gm8 s ALA 147 CO 0.02 0.48 -0.04 0.08 0.00 0.00 0.00 175.76 176.30 3gm8 s VAL 148 N -0.72 0.56 -0.22 0.00 1.01 -0.15 -1.18 120.40 119.69 3gm8 s VAL 148 Ca 0.10 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 3gm8 s VAL 148 Cb -0.09 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 3gm8 s VAL 148 CO 0.01 0.25 0.01 -0.75 0.00 0.00 0.00 175.10 174.63 3gm8 s LYS 149 N 1.30 3.55 -0.24 2.72 2.20 -0.47 -0.61 119.74 128.19 3gm8 s LYS 149 Ca -0.05 -0.54 -0.08 0.00 -0.36 0.00 0.00 55.97 54.94 3gm8 s LYS 149 Cb -0.14 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 3gm8 s LYS 149 CO -0.02 -0.13 0.10 0.08 -0.36 0.00 0.00 175.35 175.02 3gm8 s VAL 150 N 1.38 4.63 -0.55 4.02 1.01 -0.54 -1.32 120.40 129.02 3gm8 s VAL 150 Ca 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 3gm8 s VAL 150 Cb -0.15 -3.16 0.14 0.00 0.00 0.00 0.00 36.38 33.22 3gm8 s VAL 150 CO 0.01 0.34 0.35 -0.62 0.00 0.00 0.00 175.10 175.18 3gm8 s ASP 151 N 1.41 5.18 -0.38 3.32 -1.08 -0.83 -2.36 116.67 121.93 3gm8 s ASP 151 Ca 0.06 -2.61 0.05 0.00 -0.52 0.00 0.00 52.55 49.53 3gm8 s ASP 151 Cb -0.15 -1.83 0.48 0.00 -1.46 0.00 0.00 42.92 39.96 3gm8 s ASP 151 CO 0.05 -0.41 1.52 1.57 0.52 0.00 0.00 175.17 178.41 3gm8 n HIS 152 N 3.81 2.21 0.16 -5.34 -0.00 -0.66 -4.50 115.22 110.90 3gm8 n HIS 152 Ca 0.05 -2.16 0.02 0.00 0.46 0.00 0.00 57.72 56.09 3gm8 n HIS 152 Cb 0.39 -0.68 0.34 0.00 -0.12 0.00 0.00 29.99 29.92 3gm8 n HIS 152 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 3gm8 h SER 153 N 1.63 0.07 -2.90 0.26 4.64 -1.89 -0.71 113.55 114.65 3gm8 h SER 153 Ca 0.38 -0.02 -0.70 0.00 -0.47 0.00 0.00 61.79 60.97 3gm8 h SER 153 Cb 1.47 -0.02 -0.20 0.00 -0.31 0.00 0.00 62.40 63.34 3gm8 h SER 153 CO 0.81 0.42 0.25 -0.54 -0.87 0.00 0.00 176.83 176.90 3gm8 s LYS 154 N -4.25 3.17 0.09 4.77 -0.14 -1.26 -4.73 119.74 117.40 3gm8 s LYS 154 Ca -0.03 -1.44 0.25 0.00 -1.36 0.00 0.00 55.97 53.38 3gm8 s LYS 154 Cb 0.14 -4.36 0.47 0.00 -1.68 0.00 0.00 37.83 32.40 3gm8 s LYS 154 CO 0.73 -1.58 1.41 0.00 -0.76 0.00 0.00 175.35 175.16 3gm8 n ALA 155 N 6.27 2.97 -1.99 5.17 0.00 -1.25 -4.43 120.51 127.26 3gm8 n ALA 155 Ca -0.03 -0.24 -0.41 0.00 0.00 0.00 0.00 53.44 52.76 3gm8 n ALA 155 Cb 0.44 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 3gm8 n ALA 155 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gm8 n LEU 156 N -1.95 7.76 -1.39 0.00 4.77 -1.26 -4.69 117.00 120.25 3gm8 n LEU 156 Ca 0.04 -4.75 0.09 0.00 -0.03 0.00 0.00 56.01 51.36 3gm8 n LEU 156 Cb 0.41 -1.42 0.31 0.00 -2.33 0.00 0.00 43.42 40.39 3gm8 n LEU 156 CO 0.35 1.87 0.76 0.35 -1.33 0.00 0.00 177.39 179.39 3gm8 n THR 157 N 2.44 1.40 -3.57 -5.08 -2.24 -1.26 -0.40 114.28 105.56 3gm8 n THR 157 Ca 0.58 -1.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.30 3gm8 n THR 157 Cb 0.28 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 3gm8 n THR 157 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3gm8 s GLY 158 N -0.90 -0.28 -0.04 3.38 0.00 -1.26 -4.46 107.32 103.77 3gm8 s GLY 158 Ca 0.45 1.73 0.12 0.00 0.00 0.00 0.00 44.72 47.03 3gm8 s GLY 158 CO 0.25 0.69 1.29 0.54 0.00 0.00 0.00 173.10 175.87 3gm8 n ARG 159 N 0.17 2.32 -4.01 2.90 1.74 -1.26 -4.32 116.66 114.20 3gm8 n ARG 159 Ca -0.05 -1.61 -0.10 0.00 -0.77 0.00 0.00 57.85 55.33 3gm8 n ARG 159 Cb 0.59 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.49 3gm8 n ARG 159 CO 0.00 0.00 0.00 1.67 -1.52 0.00 0.00 177.63 177.78 3gm8 s TRP 160 N -1.58 0.45 0.13 -1.55 -2.14 -1.17 -4.17 118.94 108.91 3gm8 s TRP 160 Ca 0.29 -0.81 -0.31 0.00 2.66 0.00 0.00 56.10 57.94 3gm8 s TRP 160 Cb 0.17 0.16 -0.08 0.00 -3.10 0.00 0.00 33.47 30.62 3gm8 s TRP 160 CO 0.17 -1.01 1.32 -0.47 -2.66 0.00 0.00 176.95 174.29 3gm8 s TYR 161 N -3.88 3.30 -0.18 1.66 5.04 -0.78 -4.24 117.35 118.27 3gm8 s TYR 161 Ca 0.24 1.12 0.07 0.00 -2.44 0.00 0.00 57.07 56.05 3gm8 s TYR 161 Cb -0.00 -3.59 -0.16 0.00 0.35 0.00 0.00 41.96 38.55 3gm8 s TYR 161 CO 0.10 -1.96 -0.08 0.25 -1.34 0.00 0.00 175.55 172.52 3gm8 n THR 162 N 3.54 1.12 0.00 4.34 -2.24 -1.26 -4.84 114.28 114.94 3gm8 n THR 162 Ca 0.09 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 3gm8 n THR 162 Cb 0.43 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 3gm8 n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gm8 n GLY 163 N 2.32 -0.23 3.07 3.38 0.00 -1.26 -4.66 105.19 107.80 3gm8 n GLY 163 Ca -0.31 -1.79 -0.13 0.00 0.00 0.00 0.00 46.02 43.79 3gm8 n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gm8 s SER 164 N -1.94 -0.22 0.00 1.61 0.01 -1.26 -4.87 113.70 107.03 3gm8 s SER 164 Ca 0.00 0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.70 3gm8 s SER 164 Cb 0.00 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.63 3gm8 s SER 164 CO 0.00 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.16 3gm8 n GLY 165 N 3.42 0.44 3.09 3.44 0.00 0.03 -1.56 105.19 114.05 3gm8 n GLY 165 Ca -0.17 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.21 3gm8 n GLY 165 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gm8 n ILE 166 N 2.06 3.71 1.45 -0.61 5.41 -1.23 -1.21 119.36 128.94 3gm8 n ILE 166 Ca 0.00 -3.56 0.14 0.00 1.00 0.00 0.00 62.75 60.33 3gm8 n ILE 166 Cb 0.00 -2.49 0.57 0.00 -0.71 0.00 0.00 39.64 37.01 3gm8 n ILE 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gm8 n TYR 167 N 6.88 0.00 -4.51 1.39 0.18 -1.19 -2.20 117.16 117.72 3gm8 n TYR 167 Ca 0.50 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 60.04 3gm8 n TYR 167 Cb 0.42 -0.11 -0.11 0.00 -0.38 0.00 0.00 39.34 39.16 3gm8 n TYR 167 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 3gm8 s ARG 168 N -2.33 1.74 0.96 -3.48 0.52 -1.21 -4.26 118.95 110.89 3gm8 s ARG 168 Ca 0.32 -1.94 -0.11 0.00 -0.52 0.00 0.00 55.73 53.48 3gm8 s ARG 168 Cb 0.20 -1.31 0.17 0.00 0.52 0.00 0.00 34.95 34.53 3gm8 s ARG 168 CO 0.44 -0.03 1.10 -2.14 0.02 0.00 0.00 175.30 174.69 3gm8 s PRO 169 N -3.75 0.70 0.01 3.54 0.02 -1.26 -4.59 135.00 129.67 3gm8 s PRO 169 Ca 0.33 1.13 0.05 0.00 0.02 0.00 0.00 61.00 62.53 3gm8 s PRO 169 Cb 0.07 -1.72 -0.01 0.00 0.02 0.00 0.00 34.50 32.85 3gm8 s PRO 169 CO 0.15 -2.71 -0.14 0.08 -0.33 0.00 0.00 177.00 174.05 3gm8 s VAL 170 N -2.70 1.13 0.05 3.83 1.01 -1.26 -2.18 120.40 120.27 3gm8 s VAL 170 Ca 0.66 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.90 3gm8 s VAL 170 Cb -0.21 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 3gm8 s VAL 170 CO 0.59 0.22 -0.05 -0.31 0.00 0.00 0.00 175.10 175.55 3gm8 s TYR 171 N -0.50 0.55 -0.23 5.22 2.02 0.10 -1.27 117.35 123.23 3gm8 s TYR 171 Ca 0.04 -0.76 -0.08 0.00 -0.37 0.00 0.00 57.07 55.91 3gm8 s TYR 171 Cb -0.06 -0.36 -0.04 0.00 -0.40 0.00 0.00 41.96 41.10 3gm8 s TYR 171 CO 0.00 -0.21 0.08 -0.51 -1.57 0.00 0.00 175.55 173.34 3gm8 s LEU 172 N -2.22 3.64 -0.41 -1.29 1.43 -0.25 -0.51 118.68 119.07 3gm8 s LEU 172 Ca -0.03 -0.09 -0.16 0.00 -1.03 0.00 0.00 54.13 52.83 3gm8 s LEU 172 Cb -0.02 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.26 3gm8 s LEU 172 CO -0.04 0.03 0.35 -0.76 0.23 0.00 0.00 176.35 176.16 3gm8 s LEU 173 N 1.24 4.98 -0.31 1.79 1.43 0.82 -0.96 118.68 127.68 3gm8 s LEU 173 Ca 0.05 -0.78 -0.04 0.00 -1.03 0.00 0.00 54.13 52.33 3gm8 s LEU 173 Cb -0.14 -2.25 0.04 0.00 0.03 0.00 0.00 46.19 43.87 3gm8 s LEU 173 CO 0.04 -0.49 0.03 -0.69 0.23 0.00 0.00 176.35 175.47 3gm8 s VAL 174 N 1.86 3.30 0.06 -1.59 1.01 0.00 0.13 120.40 125.17 3gm8 s VAL 174 Ca 0.08 -1.21 0.02 0.00 0.00 0.00 0.00 61.98 60.87 3gm8 s VAL 174 Cb -0.18 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3gm8 s VAL 174 CO 0.11 -0.08 -0.08 -0.94 0.00 0.00 0.00 175.10 174.12 3gm8 s SER 175 N 1.33 0.98 0.32 3.32 1.04 0.37 0.80 113.70 121.86 3gm8 s SER 175 Ca -0.03 -0.70 -0.26 0.00 0.48 0.00 0.00 55.95 55.45 3gm8 s SER 175 Cb -0.19 0.05 -0.14 0.00 0.10 0.00 0.00 66.02 65.84 3gm8 s SER 175 CO 0.00 -0.28 0.74 -3.20 0.98 0.00 0.00 173.24 171.48 3gm8 n ASN 176 N 0.98 -0.03 0.10 7.02 2.85 -1.26 0.16 115.26 125.08 3gm8 n ASN 176 Ca -0.19 1.07 0.20 0.00 -0.11 0.00 0.00 54.58 55.54 3gm8 n ASN 176 Cb 0.57 -1.16 0.73 0.00 1.24 0.00 0.00 39.78 41.16 3gm8 n ASN 176 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3gm8 h PRO 177 N 1.33 0.00 -4.61 1.20 0.11 -1.93 -3.30 132.00 124.80 3gm8 h PRO 177 Ca -0.38 0.00 -0.71 0.00 0.11 0.00 0.00 66.00 65.02 3gm8 h PRO 177 Cb 1.38 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.29 3gm8 h PRO 177 CO 0.56 0.00 -0.09 0.99 -0.21 0.00 0.00 178.00 179.25 3gm8 s THR 178 N -4.55 5.02 0.25 -1.15 2.01 -1.26 -4.28 115.64 111.68 3gm8 s THR 178 Ca -0.04 -0.87 -0.14 0.00 0.31 0.00 0.00 61.69 60.95 3gm8 s THR 178 Cb 0.15 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.38 3gm8 s THR 178 CO 0.51 -0.79 0.51 -1.38 -0.69 0.00 0.00 174.62 172.78 3gm8 s HIS 179 N 2.21 0.26 -0.30 4.92 -3.43 -0.87 -4.52 115.29 113.56 3gm8 s HIS 179 Ca 0.10 -0.64 -0.23 0.00 -0.80 0.00 0.00 55.06 53.49 3gm8 s HIS 179 Cb -0.23 0.26 -0.00 0.00 -1.43 0.00 0.00 32.58 31.18 3gm8 s HIS 179 CO 0.08 -1.01 0.76 0.42 -2.00 0.00 0.00 174.74 172.98 3gm8 s ILE 180 N -4.00 4.83 0.92 -5.38 1.01 -1.26 -0.83 121.20 116.48 3gm8 s ILE 180 Ca 0.20 1.14 -0.11 0.00 0.00 0.00 0.00 60.65 61.88 3gm8 s ILE 180 Cb -0.01 -4.11 0.14 0.00 0.01 0.00 0.00 42.46 38.49 3gm8 s ILE 180 CO 0.08 -0.21 1.10 -2.84 0.00 0.00 0.00 174.94 173.06 3gm8 s PRO 181 N 2.87 1.06 0.29 2.79 0.02 -1.26 -4.88 135.00 135.89 3gm8 s PRO 181 Ca 0.31 1.13 -0.30 0.00 0.02 0.00 0.00 61.00 62.16 3gm8 s PRO 181 Cb -0.14 -1.76 -0.12 0.00 0.02 0.00 0.00 34.50 32.49 3gm8 s PRO 181 CO 0.12 -2.46 1.50 0.98 -0.33 0.00 0.00 177.00 176.81 3gm8 n TYR 182 N -4.08 2.60 -2.80 6.54 9.36 -1.26 -2.20 117.16 125.33 3gm8 n TYR 182 Ca 0.08 0.35 -0.14 0.00 3.32 0.00 0.00 57.90 61.51 3gm8 n TYR 182 Cb 0.54 -2.53 0.03 0.00 -0.63 0.00 0.00 39.34 36.74 3gm8 n TYR 182 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 3gm8 n SER 183 N 1.87 -4.52 -0.78 2.98 7.64 -1.26 -4.93 113.62 114.62 3gm8 n SER 183 Ca 0.08 -0.20 0.08 0.00 1.01 0.00 0.00 58.87 59.84 3gm8 n SER 183 Cb 0.35 -3.36 0.14 0.00 -1.01 0.00 0.00 64.21 60.34 3gm8 n SER 183 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gm8 n GLY 184 N -1.27 1.41 3.23 0.23 0.00 -0.93 -4.87 105.19 102.98 3gm8 n GLY 184 Ca -0.06 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 3gm8 n GLY 184 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gm8 s ILE 185 N -1.17 2.05 -0.16 -0.61 1.01 -1.26 -0.29 121.20 120.78 3gm8 s ILE 185 Ca 0.26 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.90 3gm8 s ILE 185 Cb 0.15 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.87 3gm8 s ILE 185 CO 0.21 0.56 -0.20 -2.28 0.00 0.00 0.00 174.94 173.24 3gm8 s HIS 186 N 0.27 2.65 -0.12 3.97 2.46 -0.34 -4.90 115.29 119.27 3gm8 s HIS 186 Ca -0.17 -1.48 -0.01 0.00 0.47 0.00 0.00 55.06 53.87 3gm8 s HIS 186 Cb -0.17 -1.83 -0.03 0.00 -0.13 0.00 0.00 32.58 30.42 3gm8 s HIS 186 CO 0.08 -0.72 -0.07 0.12 -2.47 0.00 0.00 174.74 171.68 3gm8 s PHE 187 N 1.15 2.94 0.01 3.88 5.36 -1.26 -1.32 117.98 128.75 3gm8 s PHE 187 Ca 0.01 -0.29 0.01 0.00 -0.96 0.00 0.00 56.93 55.70 3gm8 s PHE 187 Cb -0.14 -1.86 -0.01 0.00 -0.34 0.00 0.00 43.02 40.68 3gm8 s PHE 187 CO -0.09 0.03 -0.03 1.03 -1.46 0.00 0.00 175.22 174.70 3gm8 s ARG 188 N 0.01 0.26 0.12 10.12 0.52 -0.69 -4.84 118.95 124.45 3gm8 s ARG 188 Ca -0.01 -0.29 0.04 0.00 -0.52 0.00 0.00 55.73 54.95 3gm8 s ARG 188 Cb -0.14 -0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.15 3gm8 s ARG 188 CO 0.03 0.03 -0.10 -1.54 0.02 0.00 0.00 175.30 173.74 3gm8 s SER 189 N -0.56 1.61 -0.07 0.23 1.04 -1.26 -0.66 113.70 114.02 3gm8 s SER 189 Ca -0.04 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.45 3gm8 s SER 189 Cb -0.04 0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.11 3gm8 s SER 189 CO -0.00 -0.32 -0.05 -0.75 0.98 0.00 0.00 173.24 173.10 3gm8 s LYS 190 N -3.41 1.08 0.23 4.02 2.20 0.48 -4.96 119.74 119.38 3gm8 s LYS 190 Ca 0.12 -0.13 -0.27 0.00 -0.36 0.00 0.00 55.97 55.34 3gm8 s LYS 190 Cb 0.01 -1.16 -0.09 0.00 -1.51 0.00 0.00 37.83 35.08 3gm8 s LYS 190 CO -0.00 -0.18 0.87 -0.51 -0.36 0.00 0.00 175.35 175.16 3gm8 s LEU 191 N 1.40 4.55 -0.31 5.43 1.43 -1.26 -1.16 118.68 128.76 3gm8 s LEU 191 Ca -0.03 1.78 0.02 0.00 -1.03 0.00 0.00 54.13 54.88 3gm8 s LEU 191 Cb -0.13 -3.58 0.08 0.00 0.03 0.00 0.00 46.19 42.59 3gm8 s LEU 191 CO -0.03 0.12 -0.01 -1.10 0.23 0.00 0.00 176.35 175.56 3gm8 s GLN 192 N -1.41 1.95 3.93 1.70 1.11 -0.77 -4.96 119.66 121.21 3gm8 s GLN 192 Ca 0.41 -1.58 0.00 0.00 0.01 0.00 0.00 55.36 54.20 3gm8 s GLN 192 Cb -0.23 -3.10 0.00 0.00 -1.01 0.00 0.00 33.01 28.67 3gm8 s GLN 192 CO 0.27 -0.76 0.00 -1.71 0.01 0.00 0.00 175.29 173.11 3gm8 n ASN 193 N 4.39 0.00 0.00 5.90 2.85 -1.26 -3.32 115.26 123.82 3gm8 n ASN 193 Ca -0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 3gm8 n ASN 193 Cb 0.42 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.44 3gm8 n ASN 193 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 3gm8 n LYS 194 N 14.00 0.77 0.06 1.20 2.85 -1.26 -4.79 118.16 130.99 3gm8 n LYS 194 Ca 0.00 -0.73 -0.06 0.00 -1.05 0.00 0.00 58.31 56.47 3gm8 n LYS 194 Cb 0.00 -0.76 -0.11 0.00 -0.65 0.00 0.00 35.03 33.52 3gm8 n LYS 194 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 3gm8 h GLN 195 N 0.00 0.00 -2.54 -1.58 4.20 -1.96 -3.40 115.11 109.84 3gm8 h GLN 195 Ca 0.00 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.85 3gm8 h GLN 195 Cb 0.56 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.26 3gm8 h GLN 195 CO 0.00 0.90 0.41 -1.54 -0.67 0.00 0.00 178.83 177.93 3gm8 s SER 196 N -6.62 -0.22 0.04 1.46 1.04 -1.22 -0.18 113.70 107.99 3gm8 s SER 196 Ca 0.01 -0.44 -0.05 0.00 0.48 0.00 0.00 55.95 55.95 3gm8 s SER 196 Cb 0.10 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.76 3gm8 s SER 196 CO 0.81 -1.02 0.10 0.00 0.98 0.00 0.00 173.24 174.11 3gm8 s ALA 197 N -3.47 -0.07 0.30 5.32 0.00 -0.60 -1.85 121.76 121.39 3gm8 s ALA 197 Ca 0.11 -0.54 0.08 0.00 0.00 0.00 0.00 51.96 51.61 3gm8 s ALA 197 Cb -0.03 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 3gm8 s ALA 197 CO 0.03 -0.32 0.11 0.95 0.00 0.00 0.00 175.76 176.54 3gm8 s THR 198 N -2.58 3.49 0.11 0.00 -4.23 -0.31 -0.98 115.64 111.15 3gm8 s THR 198 Ca -0.05 -1.69 -0.17 0.00 -1.18 0.00 0.00 61.69 58.60 3gm8 s THR 198 Cb -0.01 -3.03 0.04 0.00 1.34 0.00 0.00 72.50 70.83 3gm8 s THR 198 CO -0.04 -0.28 0.42 -0.72 -0.54 0.00 0.00 174.62 173.45 3gm8 s TYR 199 N -2.32 -0.24 0.10 3.99 -0.85 -0.63 -0.39 117.35 117.02 3gm8 s TYR 199 Ca 0.35 -0.02 0.07 0.00 -0.52 0.00 0.00 57.07 56.95 3gm8 s TYR 199 Cb -0.05 0.27 -0.03 0.00 0.38 0.00 0.00 41.96 42.52 3gm8 s TYR 199 CO 0.22 -0.69 -0.18 0.95 -1.52 0.00 0.00 175.55 174.34 3gm8 s THR 200 N -3.54 1.49 -0.13 -3.49 -4.23 0.17 -1.98 115.64 103.93 3gm8 s THR 200 Ca 0.01 -1.53 0.01 0.00 -1.18 0.00 0.00 61.69 59.00 3gm8 s THR 200 Cb 0.01 -1.44 0.02 0.00 1.34 0.00 0.00 72.50 72.44 3gm8 s THR 200 CO -0.10 -0.18 -0.14 -0.76 -0.54 0.00 0.00 174.62 172.90 3gm8 s LEU 201 N -2.01 1.64 -0.32 4.79 1.43 -0.51 -1.71 118.68 121.99 3gm8 s LEU 201 Ca 0.05 -0.45 -0.07 0.00 -1.03 0.00 0.00 54.13 52.63 3gm8 s LEU 201 Cb -0.09 -1.12 0.03 0.00 0.03 0.00 0.00 46.19 45.04 3gm8 s LEU 201 CO 0.04 -0.04 0.10 -0.55 0.23 0.00 0.00 176.35 176.12 3gm8 s SER 202 N 1.37 5.24 -0.23 2.29 0.15 -0.43 -0.96 113.70 121.13 3gm8 s SER 202 Ca 0.02 -0.97 0.02 0.00 0.70 0.00 0.00 55.95 55.72 3gm8 s SER 202 Cb -0.13 -1.87 0.04 0.00 -1.71 0.00 0.00 66.02 62.35 3gm8 s SER 202 CO -0.08 -0.27 -0.14 -0.63 1.20 0.00 0.00 173.24 173.32 3gm8 s ILE 203 N 1.44 2.19 0.37 6.45 1.01 -0.46 -1.20 121.20 131.00 3gm8 s ILE 203 Ca 0.00 -1.34 -0.26 0.00 0.00 0.00 0.00 60.65 59.05 3gm8 s ILE 203 Cb -0.19 -2.15 -0.09 0.00 0.01 0.00 0.00 42.46 40.05 3gm8 s ILE 203 CO 0.03 0.19 1.09 -1.61 0.00 0.00 0.00 174.94 174.64 3gm8 s GLU 204 N 1.18 4.26 -0.05 2.79 2.02 0.60 -0.83 118.70 128.67 3gm8 s GLU 204 Ca -0.03 1.67 -0.00 0.00 0.02 0.00 0.00 54.97 56.62 3gm8 s GLU 204 Cb -0.17 -2.74 0.03 0.00 0.10 0.00 0.00 34.13 31.34 3gm8 s GLU 204 CO -0.08 -0.10 -0.01 0.42 0.02 0.00 0.00 175.26 175.51 3gm8 s ILE 205 N -1.47 0.35 -0.10 -1.63 1.01 -1.26 -4.20 121.20 113.90 3gm8 s ILE 205 Ca 0.54 0.05 -0.05 0.00 0.00 0.00 0.00 60.65 61.19 3gm8 s ILE 205 Cb -0.27 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 3gm8 s ILE 205 CO 0.34 0.21 0.09 -0.70 0.00 0.00 0.00 174.94 174.88 3gm8 s GLU 206 N 1.39 3.26 0.00 2.79 2.12 -0.01 -4.70 118.70 123.56 3gm8 s GLU 206 Ca -0.04 -0.24 -0.28 0.00 0.36 0.00 0.00 54.97 54.76 3gm8 s GLU 206 Cb -0.13 -3.03 0.10 0.00 0.26 0.00 0.00 34.13 31.33 3gm8 s GLU 206 CO -0.03 0.75 0.87 -0.08 -0.54 0.00 0.00 175.26 176.23 3gm8 s THR 207 N -0.98 0.00 0.00 -1.70 -1.32 -1.26 -2.06 115.64 108.32 3gm8 s THR 207 Ca 0.15 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.63 3gm8 s THR 207 Cb -0.12 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 3gm8 s THR 207 CO 0.04 0.00 0.40 0.00 -2.21 0.00 0.00 174.62 172.85 3gm8 n GLN 208 N -0.24 -0.65 -5.24 7.08 1.13 -1.26 -5.04 117.38 113.16 3gm8 n GLN 208 Ca -0.09 -0.40 -0.32 0.00 -1.94 0.00 0.00 57.00 54.25 3gm8 n GLN 208 Cb 0.62 -0.90 -0.17 0.00 0.11 0.00 0.00 30.24 29.90 3gm8 n GLN 208 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3gm8 s GLU 209 N -0.02 2.74 0.40 -1.09 8.01 -1.26 -5.04 118.70 122.43 3gm8 s GLU 209 Ca 0.00 -0.89 0.24 0.00 0.01 0.00 0.00 54.97 54.33 3gm8 s GLU 209 Cb 0.00 -2.21 0.51 0.00 -4.31 0.00 0.00 34.13 28.12 3gm8 s GLU 209 CO 0.00 0.30 1.67 0.87 0.01 0.00 0.00 175.26 178.10 3gm8 h LYS 210 N 6.33 0.00 -6.94 1.61 1.79 -1.98 -3.46 116.57 113.93 3gm8 h LYS 210 Ca -0.27 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.65 3gm8 h LYS 210 Cb 1.20 0.00 0.13 0.00 -1.58 0.00 0.00 32.23 31.98 3gm8 h LYS 210 CO 0.47 0.00 0.55 0.36 -1.08 0.00 0.00 179.45 179.75 3gm8 n LYS 211 N -2.92 1.86 -0.85 3.15 -0.00 -1.26 -4.93 118.16 113.21 3gm8 n LYS 211 Ca 0.04 0.67 -0.30 0.00 -0.00 0.00 0.00 58.31 58.72 3gm8 n LYS 211 Cb 0.49 -2.49 0.18 0.00 -0.00 0.00 0.00 35.03 33.20 3gm8 n LYS 211 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3gm8 s PRO 212 N -2.53 0.66 -0.06 -1.58 0.04 -1.26 -4.99 135.00 125.28 3gm8 s PRO 212 Ca 0.66 1.12 0.01 0.00 0.04 0.00 0.00 61.00 62.83 3gm8 s PRO 212 Cb -0.46 -1.72 0.02 0.00 0.04 0.00 0.00 34.50 32.39 3gm8 s PRO 212 CO 0.54 -2.74 -0.06 0.42 0.04 0.00 0.00 177.00 175.20 3gm8 s ILE 213 N -2.70 0.71 -0.47 0.56 1.01 -0.85 -4.90 121.20 114.56 3gm8 s ILE 213 Ca 0.66 -0.21 -0.18 0.00 0.00 0.00 0.00 60.65 60.92 3gm8 s ILE 213 Cb -0.22 -0.72 0.05 0.00 0.01 0.00 0.00 42.46 41.58 3gm8 s ILE 213 CO 0.59 0.27 0.56 -0.75 0.00 0.00 0.00 174.94 175.61 3gm8 s LYS 214 N 1.00 3.12 -0.19 2.79 2.20 -0.07 -0.96 119.74 127.62 3gm8 s LYS 214 Ca -0.09 -0.85 -0.26 0.00 -0.36 0.00 0.00 55.97 54.40 3gm8 s LYS 214 Cb -0.14 -4.05 -0.01 0.00 -1.51 0.00 0.00 37.83 32.11 3gm8 s LYS 214 CO -0.00 -1.09 0.90 0.08 -0.36 0.00 0.00 175.35 174.88 3gm8 s VAL 215 N 2.43 4.81 0.04 4.02 1.01 0.02 -1.24 120.40 131.49 3gm8 s VAL 215 Ca 0.14 1.76 0.08 0.00 0.00 0.00 0.00 61.98 63.95 3gm8 s VAL 215 Cb -0.19 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 3gm8 s VAL 215 CO 0.12 -0.05 -0.21 -0.54 0.00 0.00 0.00 175.10 174.43 3gm8 s LYS 216 N 2.53 1.98 -0.01 2.72 1.02 -0.71 -1.89 119.74 125.39 3gm8 s LYS 216 Ca 0.40 -1.02 -0.04 0.00 0.02 0.00 0.00 55.97 55.33 3gm8 s LYS 216 Cb -0.16 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.04 3gm8 s LYS 216 CO 0.10 0.53 0.09 0.95 -0.92 0.00 0.00 175.35 176.10 3gm8 s THR 217 N -0.87 0.05 -0.03 2.17 -4.23 -0.85 -0.45 115.64 111.44 3gm8 s THR 217 Ca 0.13 -0.44 0.01 0.00 -1.18 0.00 0.00 61.69 60.21 3gm8 s THR 217 Cb -0.10 -0.27 0.02 0.00 1.34 0.00 0.00 72.50 73.49 3gm8 s THR 217 CO 0.04 -0.24 -0.00 -0.31 -0.54 0.00 0.00 174.62 173.56 3gm8 s TYR 218 N -0.78 0.31 -0.54 3.99 2.02 0.81 -2.67 117.35 120.49 3gm8 s TYR 218 Ca -0.09 -0.01 -0.18 0.00 -0.37 0.00 0.00 57.07 56.42 3gm8 s TYR 218 Cb -0.05 -0.38 0.08 0.00 -0.40 0.00 0.00 41.96 41.21 3gm8 s TYR 218 CO 0.00 -0.11 0.63 -0.51 -1.57 0.00 0.00 175.55 173.99 3gm8 s LEU 219 N 0.86 5.26 -0.16 -1.29 1.43 -0.85 -0.49 118.68 123.44 3gm8 s LEU 219 Ca -0.09 -1.20 -0.23 0.00 -1.03 0.00 0.00 54.13 51.58 3gm8 s LEU 219 Cb -0.12 -2.35 -0.02 0.00 0.03 0.00 0.00 46.19 43.72 3gm8 s LEU 219 CO -0.01 -0.95 0.71 -1.58 0.23 0.00 0.00 176.35 174.74 3gm8 s GLN 220 N 2.50 4.30 0.97 1.70 0.74 -0.76 -0.34 119.66 128.76 3gm8 s GLN 220 Ca 0.12 0.80 -0.12 0.00 0.05 0.00 0.00 55.36 56.21 3gm8 s GLN 220 Cb -0.22 -3.54 0.17 0.00 1.10 0.00 0.00 33.01 30.52 3gm8 s GLN 220 CO 0.09 -0.18 1.10 0.00 -0.55 0.00 0.00 175.29 175.74 3gm8 s ALA 221 N 1.69 1.16 0.45 1.58 0.00 0.17 -1.62 121.76 125.19 3gm8 s ALA 221 Ca 0.34 -0.32 0.15 0.00 0.00 0.00 0.00 51.96 52.12 3gm8 s ALA 221 Cb -0.16 -3.12 1.07 0.00 0.00 0.00 0.00 23.12 20.91 3gm8 s ALA 221 CO 0.13 -2.68 2.00 -1.35 0.00 0.00 0.00 175.76 173.86 3gm8 h PRO 222 N -1.78 0.34 0.00 0.00 0.11 -1.88 -1.83 132.00 126.96 3gm8 h PRO 222 Ca -0.53 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3gm8 h PRO 222 Cb 1.32 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3gm8 h PRO 222 CO 0.57 0.22 0.00 0.27 -0.21 0.00 0.00 178.00 178.86 3gm8 n ASN 223 N -4.47 0.00 0.00 -2.05 0.23 -1.26 -4.91 115.26 102.81 3gm8 n ASN 223 Ca 0.08 -1.62 0.00 0.00 -0.53 0.00 0.00 54.58 52.51 3gm8 n ASN 223 Cb 0.35 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 3gm8 n ASN 223 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gm8 n GLY 224 N 0.50 3.08 3.77 4.83 0.00 -0.69 -5.06 105.19 111.63 3gm8 n GLY 224 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3gm8 n GLY 224 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gm8 s SER 225 N -0.26 5.77 -0.34 1.61 1.04 -1.26 -4.69 113.70 115.57 3gm8 s SER 225 Ca 0.00 2.21 -0.25 0.00 0.48 0.00 0.00 55.95 58.39 3gm8 s SER 225 Cb 0.00 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.54 3gm8 s SER 225 CO 0.00 -1.19 0.88 -0.63 0.98 0.00 0.00 173.24 173.28 3gm8 s ILE 226 N -1.72 4.67 -0.82 -1.02 -1.09 -1.26 0.45 121.20 120.41 3gm8 s ILE 226 Ca 0.72 1.23 0.23 0.00 -2.23 0.00 0.00 60.65 60.60 3gm8 s ILE 226 Cb -0.25 -4.26 -0.09 0.00 -1.58 0.00 0.00 42.46 36.28 3gm8 s ILE 226 CO 0.28 -0.40 1.13 0.00 -1.23 0.00 0.00 174.94 174.73 3gm8 n ALA 227 N 6.52 3.71 -3.58 9.38 0.00 0.53 -4.92 120.51 132.15 3gm8 n ALA 227 Ca 0.06 -0.42 -0.10 0.00 0.00 0.00 0.00 53.44 52.97 3gm8 n ALA 227 Cb 0.48 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 3gm8 n ALA 227 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gm8 s ASP 228 N -3.45 -0.37 0.10 0.00 2.15 -1.24 -4.83 116.67 109.03 3gm8 s ASP 228 Ca 0.07 0.43 0.05 0.00 0.43 0.00 0.00 52.55 53.53 3gm8 s ASP 228 Cb 0.16 0.33 -0.03 0.00 -0.30 0.00 0.00 42.92 43.08 3gm8 s ASP 228 CO 0.78 -0.33 -0.14 -0.89 -0.17 0.00 0.00 175.17 174.42 3gm8 s THR 229 N -1.03 1.22 0.01 1.71 2.01 -1.26 -2.01 115.64 116.28 3gm8 s THR 229 Ca -0.01 -1.53 -0.09 0.00 0.31 0.00 0.00 61.69 60.37 3gm8 s THR 229 Cb -0.01 -1.32 0.01 0.00 0.01 0.00 0.00 72.50 71.19 3gm8 s THR 229 CO 0.01 -0.33 0.18 -0.55 -0.69 0.00 0.00 174.62 173.24 3gm8 s SER 230 N -2.13 -0.01 0.01 3.53 0.15 -1.09 -4.98 113.70 109.19 3gm8 s SER 230 Ca 0.04 -0.19 -0.08 0.00 0.70 0.00 0.00 55.95 56.43 3gm8 s SER 230 Cb -0.07 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 3gm8 s SER 230 CO 0.02 -0.42 0.15 -0.70 1.20 0.00 0.00 173.24 173.49 3gm8 s GLU 231 N -1.61 0.54 -0.28 5.44 2.12 -1.26 -2.02 118.70 121.63 3gm8 s GLU 231 Ca -0.13 -0.49 -0.19 0.00 0.36 0.00 0.00 54.97 54.52 3gm8 s GLU 231 Cb -0.06 0.22 0.12 0.00 0.26 0.00 0.00 34.13 34.68 3gm8 s GLU 231 CO 0.01 -0.14 0.93 0.21 -0.54 0.00 0.00 175.26 175.74 3gm8 s LYS 232 N -1.78 0.49 0.11 4.30 2.36 -0.79 -4.99 119.74 119.44 3gm8 s LYS 232 Ca -0.12 0.75 -0.23 0.00 -2.55 0.00 0.00 55.97 53.82 3gm8 s LYS 232 Cb -0.05 0.15 -0.07 0.00 -1.05 0.00 0.00 37.83 36.81 3gm8 s LYS 232 CO -0.00 -0.09 0.71 0.42 1.55 0.00 0.00 175.35 177.95 3gm8 s ILE 233 N 1.00 4.57 0.03 5.43 1.09 -1.26 -0.80 121.20 131.27 3gm8 s ILE 233 Ca -0.05 1.54 0.08 0.00 -1.10 0.00 0.00 60.65 61.12 3gm8 s ILE 233 Cb -0.04 -4.06 -0.03 0.00 -1.06 0.00 0.00 42.46 37.27 3gm8 s ILE 233 CO -0.12 0.49 -0.24 0.12 -0.10 0.00 0.00 174.94 175.09 3gm8 s PHE 234 N -0.84 2.11 -0.04 3.97 5.36 -0.13 -4.95 117.98 123.45 3gm8 s PHE 234 Ca 0.34 -0.40 0.07 0.00 -0.96 0.00 0.00 56.93 55.98 3gm8 s PHE 234 Cb -0.21 -1.28 0.10 0.00 -0.34 0.00 0.00 43.02 41.29 3gm8 s PHE 234 CO 0.23 0.09 0.97 0.28 -1.46 0.00 0.00 175.22 175.33 3gm8 n VAL 235 N 1.92 0.85 0.00 3.12 0.31 -1.26 -2.01 118.33 121.26 3gm8 n VAL 235 Ca -0.17 -0.98 0.00 0.00 -0.01 0.00 0.00 64.34 63.18 3gm8 n VAL 235 Cb 0.52 0.33 0.00 0.00 -0.91 0.00 0.00 33.84 33.78 3gm8 n VAL 235 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3gm8 n LEU 241 N -0.59 0.00 -3.96 7.52 4.77 -1.26 -5.08 117.00 118.39 3gm8 n LEU 241 Ca 0.06 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.77 3gm8 n LEU 241 Cb 0.56 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.48 3gm8 n LEU 241 CO 0.00 0.00 -0.45 0.00 -1.33 0.00 0.00 177.39 175.61 3gm8 s PHE 243 N 1.30 2.78 0.13 0.00 5.36 -1.26 -1.35 117.98 124.94 3gm8 s PHE 243 Ca -0.03 -0.96 0.11 0.00 -0.96 0.00 0.00 56.93 55.10 3gm8 s PHE 243 Cb -0.14 -1.88 -0.04 0.00 -0.34 0.00 0.00 43.02 40.62 3gm8 s PHE 243 CO -0.04 -0.42 -0.27 -0.51 -1.46 0.00 0.00 175.22 172.52 3gm8 s LEU 244 N 0.72 2.32 -0.03 6.12 1.02 -0.13 -4.96 118.68 123.74 3gm8 s LEU 244 Ca -0.07 -0.75 0.06 0.00 0.02 0.00 0.00 54.13 53.39 3gm8 s LEU 244 Cb -0.15 -1.22 -0.01 0.00 0.02 0.00 0.00 46.19 44.82 3gm8 s LEU 244 CO 0.01 0.18 -0.21 -0.44 0.02 0.00 0.00 176.35 175.91 3gm8 s SER 245 N -2.06 2.52 0.32 2.29 0.01 -1.26 -1.42 113.70 114.10 3gm8 s SER 245 Ca 0.14 -0.40 -0.11 0.00 1.31 0.00 0.00 55.95 56.89 3gm8 s SER 245 Cb -0.10 -0.43 0.02 0.00 0.21 0.00 0.00 66.02 65.71 3gm8 s SER 245 CO 0.06 0.24 0.59 -0.83 0.41 0.00 0.00 173.24 173.71 3gm8 s GLY 246 N -0.34 0.71 0.33 3.44 0.00 -0.83 -4.97 107.32 105.66 3gm8 s GLY 246 Ca 0.04 -0.97 -0.05 0.00 0.00 0.00 0.00 44.72 43.74 3gm8 s GLY 246 CO 0.00 -0.59 0.50 -1.35 0.00 0.00 0.00 173.10 171.66 3gm8 s SER 247 N -3.09 0.69 -0.15 1.64 1.04 -1.26 -1.60 113.70 110.97 3gm8 s SER 247 Ca 0.22 -1.39 -0.16 0.00 0.48 0.00 0.00 55.95 55.10 3gm8 s SER 247 Cb -0.02 0.67 0.04 0.00 0.10 0.00 0.00 66.02 66.80 3gm8 s SER 247 CO 0.13 -1.31 0.44 -0.51 0.98 0.00 0.00 173.24 172.98 3gm8 s ILE 248 N -3.12 0.01 0.24 -1.02 2.07 -0.15 -4.93 121.20 114.29 3gm8 s ILE 248 Ca 0.28 -0.04 -0.16 0.00 -1.41 0.00 0.00 60.65 59.32 3gm8 s ILE 248 Cb -0.01 -0.64 -0.08 0.00 0.13 0.00 0.00 42.46 41.86 3gm8 s ILE 248 CO 0.18 -0.02 0.66 0.00 -1.91 0.00 0.00 174.94 173.85 3gm8 s ARG 249 N 0.04 4.05 -0.36 3.50 1.04 -1.26 -1.56 118.95 124.39 3gm8 s ARG 249 Ca -0.02 0.64 -0.04 0.00 -1.04 0.00 0.00 55.73 55.28 3gm8 s ARG 249 Cb -0.03 -2.72 0.01 0.00 -2.04 0.00 0.00 34.95 30.16 3gm8 s ARG 249 CO 0.01 0.33 0.24 1.63 -0.04 0.00 0.00 175.30 177.47 3gm8 n LYS 250 N 0.29 -0.63 -2.26 3.89 4.76 0.74 -4.86 118.16 120.09 3gm8 n LYS 250 Ca -0.01 0.13 -0.36 0.00 -2.87 0.00 0.00 58.31 55.21 3gm8 n LYS 250 Cb 0.52 -0.73 -0.00 0.00 -1.84 0.00 0.00 35.03 32.98 3gm8 n LYS 250 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3gm8 s PRO 251 N -3.90 3.53 -0.26 1.97 0.04 -1.26 -4.97 135.00 130.14 3gm8 s PRO 251 Ca 0.05 1.68 -0.27 0.00 0.04 0.00 0.00 61.00 62.50 3gm8 s PRO 251 Cb -0.03 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.34 3gm8 s PRO 251 CO 0.36 -0.72 0.96 -0.51 0.04 0.00 0.00 177.00 177.13 3gm8 s LEU 252 N -3.47 4.06 0.40 -3.56 1.43 -1.26 -5.01 118.68 111.26 3gm8 s LEU 252 Ca 0.69 1.13 -0.23 0.00 -1.03 0.00 0.00 54.13 54.69 3gm8 s LEU 252 Cb -0.26 -3.39 -0.10 0.00 0.03 0.00 0.00 46.19 42.47 3gm8 s LEU 252 CO 0.30 -0.67 1.00 -0.76 0.23 0.00 0.00 176.35 176.45 3gm8 s LEU 253 N 3.18 4.10 -0.07 1.79 1.02 -1.26 -4.47 118.68 122.96 3gm8 s LEU 253 Ca 0.41 1.90 -0.23 0.00 0.02 0.00 0.00 54.13 56.23 3gm8 s LEU 253 Cb -0.14 -4.28 -0.04 0.00 0.02 0.00 0.00 46.19 41.75 3gm8 s LEU 253 CO 0.09 -0.41 0.66 0.86 0.02 0.00 0.00 176.35 177.58 3gm8 s TRP 254 N -1.81 3.57 0.19 0.29 -0.00 0.06 -4.06 118.94 117.18 3gm8 s TRP 254 Ca 0.58 1.19 -0.12 0.00 -0.00 0.00 0.00 56.10 57.75 3gm8 s TRP 254 Cb -0.18 -2.76 0.00 0.00 -0.00 0.00 0.00 33.47 30.53 3gm8 s TRP 254 CO 0.22 0.10 0.40 -1.54 -0.00 0.00 0.00 176.95 176.14 3gm8 s SER 255 N 0.77 -0.08 0.19 5.86 1.04 -0.40 -4.73 113.70 116.35 3gm8 s SER 255 Ca 0.36 -0.78 -0.12 0.00 0.48 0.00 0.00 55.95 55.88 3gm8 s SER 255 Cb -0.17 0.52 0.20 0.00 0.10 0.00 0.00 66.02 66.66 3gm8 s SER 255 CO 0.17 -1.00 1.73 -0.65 0.98 0.00 0.00 173.24 174.47 3gm8 h PRO 256 N 2.37 0.28 -0.00 4.02 0.11 -1.94 -0.08 132.00 136.77 3gm8 h PRO 256 Ca -0.29 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.73 3gm8 h PRO 256 Cb 1.24 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3gm8 h PRO 256 CO 0.42 0.19 -0.32 -0.44 -0.21 0.00 0.00 178.00 177.64 3gm8 h ASP 257 N 0.29 0.00 -2.40 -2.05 3.32 -1.93 -3.37 116.42 110.29 3gm8 h ASP 257 Ca 0.25 -0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.71 3gm8 h ASP 257 Cb 0.31 -0.00 -0.38 0.00 0.22 0.00 0.00 39.33 39.48 3gm8 h ASP 257 CO -0.30 0.32 -0.96 -0.44 -1.72 0.00 0.00 179.24 176.14 3gm8 s SER 258 N -6.95 1.60 -0.77 6.45 0.01 -0.76 -5.04 113.70 108.24 3gm8 s SER 258 Ca -0.03 -3.02 -0.16 0.00 1.31 0.00 0.00 55.95 54.05 3gm8 s SER 258 Cb 0.15 -0.46 -0.13 0.00 0.21 0.00 0.00 66.02 65.80 3gm8 s SER 258 CO 0.72 -0.18 1.94 -0.81 0.41 0.00 0.00 173.24 175.32 3gm8 n PRO 259 N 2.92 1.59 -2.16 12.44 -0.04 -0.12 -1.27 135.00 148.36 3gm8 n PRO 259 Ca 0.28 -1.65 -0.42 0.00 -0.04 0.00 0.00 63.50 61.67 3gm8 n PRO 259 Cb 0.47 -2.72 -0.03 0.00 -0.04 0.00 0.00 33.50 31.18 3gm8 n PRO 259 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3gm8 s ASN 260 N 4.56 6.80 -0.13 3.54 0.01 -1.26 -4.78 114.94 123.68 3gm8 s ASN 260 Ca 0.50 2.19 -0.00 0.00 -0.71 0.00 0.00 52.86 54.84 3gm8 s ASN 260 Cb 0.13 -2.56 0.03 0.00 0.41 0.00 0.00 41.25 39.25 3gm8 s ASN 260 CO 0.07 -0.76 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.13 3gm8 s VAL 261 N 2.46 1.21 0.49 1.60 1.01 -1.26 -4.27 120.40 121.64 3gm8 s VAL 261 Ca 0.66 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 3gm8 s VAL 261 Cb -0.33 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 3gm8 s VAL 261 CO 0.28 0.35 0.82 -0.31 0.00 0.00 0.00 175.10 176.23 3gm8 s TYR 262 N 1.62 3.56 -0.20 5.22 2.02 -0.16 -3.83 117.35 125.58 3gm8 s TYR 262 Ca 0.04 0.91 0.01 0.00 -0.37 0.00 0.00 57.07 57.66 3gm8 s TYR 262 Cb -0.13 -2.38 0.03 0.00 -0.40 0.00 0.00 41.96 39.08 3gm8 s TYR 262 CO -0.09 -0.31 -0.16 0.99 -1.57 0.00 0.00 175.55 174.41 3gm8 s THR 263 N -2.75 2.27 -0.26 -0.71 2.01 -0.64 -1.38 115.64 114.17 3gm8 s THR 263 Ca 0.49 -1.04 -0.23 0.00 0.31 0.00 0.00 61.69 61.23 3gm8 s THR 263 Cb -0.10 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.35 3gm8 s THR 263 CO 0.44 0.40 0.74 -0.22 -0.69 0.00 0.00 174.62 175.29 3gm8 s LEU 264 N 1.28 4.08 -0.21 4.42 2.96 0.15 -1.82 118.68 129.53 3gm8 s LEU 264 Ca 0.02 0.80 -0.06 0.00 -0.22 0.00 0.00 54.13 54.68 3gm8 s LEU 264 Cb -0.15 -3.02 -0.03 0.00 0.50 0.00 0.00 46.19 43.49 3gm8 s LEU 264 CO -0.10 -0.48 0.02 -0.63 -1.32 0.00 0.00 176.35 173.84 3gm8 s ILE 265 N 2.73 4.11 -0.12 6.68 1.01 0.35 -1.60 121.20 134.37 3gm8 s ILE 265 Ca 0.31 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.71 3gm8 s ILE 265 Cb -0.15 -2.87 0.02 0.00 0.01 0.00 0.00 42.46 39.46 3gm8 s ILE 265 CO 0.09 0.41 -0.15 0.00 0.00 0.00 0.00 174.94 175.29 3gm8 s GLN 267 N 1.06 1.88 -0.28 0.00 -0.21 0.41 -0.80 119.66 121.71 3gm8 s GLN 267 Ca -0.05 -1.07 -0.12 0.00 0.02 0.00 0.00 55.36 54.15 3gm8 s GLN 267 Cb -0.15 -2.00 -0.05 0.00 1.00 0.00 0.00 33.01 31.81 3gm8 s GLN 267 CO -0.03 0.52 0.23 -0.51 -2.12 0.00 0.00 175.29 173.38 3gm8 s LEU 268 N -1.13 4.03 0.29 2.90 1.43 -0.44 -1.73 118.68 124.03 3gm8 s LEU 268 Ca 0.12 0.05 0.11 0.00 -1.03 0.00 0.00 54.13 53.37 3gm8 s LEU 268 Cb -0.10 -2.18 -0.05 0.00 0.03 0.00 0.00 46.19 43.89 3gm8 s LEU 268 CO 0.02 -0.08 -0.12 0.42 0.23 0.00 0.00 176.35 176.82 3gm8 s THR 269 N 1.82 2.74 -0.26 5.49 -4.23 -0.37 -0.08 115.64 120.76 3gm8 s THR 269 Ca 0.09 -2.22 -0.12 0.00 -1.18 0.00 0.00 61.69 58.26 3gm8 s THR 269 Cb -0.16 -2.52 0.10 0.00 1.34 0.00 0.00 72.50 71.26 3gm8 s THR 269 CO 0.11 -0.36 0.59 -0.60 -0.54 0.00 0.00 174.62 173.82 3gm8 s ARG 270 N -3.58 0.56 -1.47 3.99 3.52 -0.99 -0.89 118.95 120.09 3gm8 s ARG 270 Ca 0.31 1.21 -0.09 0.00 -0.13 0.00 0.00 55.73 57.04 3gm8 s ARG 270 Cb -0.04 0.40 0.06 0.00 -1.56 0.00 0.00 34.95 33.80 3gm8 s ARG 270 CO 0.17 -0.18 0.83 -0.25 -0.81 0.00 0.00 175.30 175.05 3gm8 n ASP 271 N 4.87 -3.16 -1.14 -2.12 8.00 -1.26 -1.42 116.55 120.32 3gm8 n ASP 271 Ca -0.16 -0.83 -0.14 0.00 0.71 0.00 0.00 54.79 54.37 3gm8 n ASP 271 Cb 0.54 -3.77 -0.06 0.00 -0.02 0.00 0.00 41.12 37.81 3gm8 n ASP 271 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3gm8 n ASN 272 N -2.90 -5.08 -4.53 -2.24 5.15 -1.26 -4.97 115.26 99.44 3gm8 n ASN 272 Ca -0.09 0.34 -0.35 0.00 -0.60 0.00 0.00 54.58 53.88 3gm8 n ASN 272 Cb 0.58 -4.10 -0.11 0.00 -0.53 0.00 0.00 39.78 35.62 3gm8 n ASN 272 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3gm8 s LYS 273 N -3.12 3.77 -0.13 1.20 -0.14 -0.50 -5.08 119.74 115.73 3gm8 s LYS 273 Ca 0.00 -0.45 -0.29 0.00 -1.36 0.00 0.00 55.97 53.87 3gm8 s LYS 273 Cb 0.00 -3.14 -0.03 0.00 -1.68 0.00 0.00 37.83 32.98 3gm8 s LYS 273 CO 0.00 0.12 1.44 0.42 -0.76 0.00 0.00 175.35 176.57 3gm8 s ILE 274 N 0.76 3.96 -0.08 2.17 1.01 -1.26 -2.33 121.20 125.42 3gm8 s ILE 274 Ca 0.02 1.15 0.14 0.00 0.00 0.00 0.00 60.65 61.96 3gm8 s ILE 274 Cb -0.14 -3.77 -0.21 0.00 0.01 0.00 0.00 42.46 38.35 3gm8 s ILE 274 CO 0.02 -0.13 0.62 0.18 0.00 0.00 0.00 174.94 175.63 3gm8 n LEU 275 N 6.98 0.74 -3.54 2.97 4.77 0.89 -4.93 117.00 124.88 3gm8 n LEU 275 Ca 0.16 0.34 -0.17 0.00 -0.03 0.00 0.00 56.01 56.31 3gm8 n LEU 275 Cb 0.44 0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.66 3gm8 n LEU 275 CO 0.59 0.34 0.47 -0.62 -1.33 0.00 0.00 177.39 176.85 3gm8 s ASP 276 N -5.91 -0.64 0.01 -1.43 2.15 -1.20 -4.36 116.67 105.29 3gm8 s ASP 276 Ca -0.05 0.76 -0.01 0.00 0.43 0.00 0.00 52.55 53.68 3gm8 s ASP 276 Cb 0.08 0.61 -0.01 0.00 -0.30 0.00 0.00 42.92 43.30 3gm8 s ASP 276 CO 0.82 -0.55 0.00 -0.70 -0.17 0.00 0.00 175.17 174.58 3gm8 s GLU 277 N -1.01 0.23 -0.11 4.34 2.12 -1.26 -1.33 118.70 121.67 3gm8 s GLU 277 Ca -0.09 -0.37 -0.05 0.00 0.36 0.00 0.00 54.97 54.82 3gm8 s GLU 277 Cb -0.01 0.08 0.05 0.00 0.26 0.00 0.00 34.13 34.52 3gm8 s GLU 277 CO 0.08 -0.04 0.26 0.00 -0.54 0.00 0.00 175.26 175.02 3gm8 s ARG 279 N 1.39 2.57 0.05 0.00 0.52 -1.26 -1.16 118.95 121.07 3gm8 s ARG 279 Ca -0.08 -0.67 -0.11 0.00 -0.52 0.00 0.00 55.73 54.35 3gm8 s ARG 279 Cb -0.10 -2.48 0.01 0.00 0.52 0.00 0.00 34.95 32.89 3gm8 s ARG 279 CO -0.09 0.63 0.23 -0.48 0.02 0.00 0.00 175.30 175.61 3gm8 s LEU 280 N -1.03 1.22 0.27 2.53 2.34 -0.62 -4.97 118.68 118.41 3gm8 s LEU 280 Ca 0.14 -0.35 -0.28 0.00 0.06 0.00 0.00 54.13 53.69 3gm8 s LEU 280 Cb -0.11 1.09 -0.09 0.00 -0.56 0.00 0.00 46.19 46.52 3gm8 s LEU 280 CO 0.03 -0.60 0.93 -2.16 -1.06 0.00 0.00 176.35 173.49 3gm8 s PRO 281 N -2.75 4.74 0.21 1.48 0.04 -1.26 0.30 135.00 137.76 3gm8 s PRO 281 Ca -0.04 1.40 -0.06 0.00 0.04 0.00 0.00 61.00 62.35 3gm8 s PRO 281 Cb -0.00 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.42 3gm8 s PRO 281 CO -0.05 0.43 0.27 0.14 0.04 0.00 0.00 177.00 177.83 3gm8 s VAL 282 N -1.34 0.02 0.21 -0.36 -7.23 -0.48 -4.59 120.40 106.62 3gm8 s VAL 282 Ca 0.44 -1.71 -0.12 0.00 -1.81 0.00 0.00 61.98 58.78 3gm8 s VAL 282 Cb -0.23 -2.28 -0.00 0.00 0.56 0.00 0.00 36.38 34.43 3gm8 s VAL 282 CO 0.29 -0.07 0.42 -0.83 -0.31 0.00 0.00 175.10 174.60 3gm8 s GLY 283 N -3.08 0.44 -0.20 2.32 0.00 -1.26 -0.99 107.32 104.54 3gm8 s GLY 283 Ca 0.30 -0.79 -0.02 0.00 0.00 0.00 0.00 44.72 44.20 3gm8 s GLY 283 CO 0.09 -0.64 -0.09 -1.36 0.00 0.00 0.00 173.10 171.10 3gm8 s PHE 284 N -3.98 2.90 0.08 1.90 0.08 -1.26 -4.85 117.98 112.85 3gm8 s PHE 284 Ca 0.19 -1.10 -0.25 0.00 0.12 0.00 0.00 56.93 55.90 3gm8 s PHE 284 Cb 0.01 -2.04 0.06 0.00 -0.57 0.00 0.00 43.02 40.48 3gm8 s PHE 284 CO 0.05 -0.59 0.59 -0.98 -0.10 0.00 0.00 175.22 174.19 3gm8 s ARG 285 N 1.36 1.16 -0.15 0.44 3.03 -1.26 -0.76 118.95 122.76 3gm8 s ARG 285 Ca 0.05 -0.24 -0.05 0.00 2.03 0.00 0.00 55.73 57.51 3gm8 s ARG 285 Cb -0.14 0.54 -0.04 0.00 -1.03 0.00 0.00 34.95 34.28 3gm8 s ARG 285 CO -0.05 -0.45 0.03 -1.14 -1.13 0.00 0.00 175.30 172.55 3gm8 s GLN 286 N -2.81 3.70 -0.17 3.89 0.74 -1.26 -4.87 119.66 118.87 3gm8 s GLN 286 Ca -0.03 -0.39 -0.04 0.00 0.05 0.00 0.00 55.36 54.94 3gm8 s GLN 286 Cb -0.01 -3.06 -0.03 0.00 1.10 0.00 0.00 33.01 31.02 3gm8 s GLN 286 CO -0.05 0.37 -0.02 -0.51 -0.55 0.00 0.00 175.29 174.53 3gm8 s LEU 287 N 0.07 3.27 -0.02 3.68 1.43 -1.26 -1.16 118.68 124.68 3gm8 s LEU 287 Ca 0.04 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 3gm8 s LEU 287 Cb -0.13 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 3gm8 s LEU 287 CO 0.01 0.13 -0.15 -1.61 0.23 0.00 0.00 176.35 174.96 3gm8 s GLU 288 N 0.62 1.32 -0.10 1.70 2.02 -0.29 -5.01 118.70 118.96 3gm8 s GLU 288 Ca -0.02 -0.52 0.01 0.00 0.02 0.00 0.00 54.97 54.46 3gm8 s GLU 288 Cb -0.14 -1.23 0.02 0.00 0.10 0.00 0.00 34.13 32.87 3gm8 s GLU 288 CO 0.02 0.28 -0.12 -0.06 0.02 0.00 0.00 175.26 175.40 3gm8 s PHE 289 N -0.19 1.69 0.05 1.61 0.08 -1.26 -0.70 117.98 119.26 3gm8 s PHE 289 Ca 0.02 -0.78 -0.02 0.00 0.12 0.00 0.00 56.93 56.28 3gm8 s PHE 289 Cb -0.08 -1.27 -0.03 0.00 -0.57 0.00 0.00 43.02 41.07 3gm8 s PHE 289 CO 0.00 -0.44 -0.01 0.54 -0.10 0.00 0.00 175.22 175.21 3gm8 s ASN 290 N 1.14 0.43 0.00 1.36 2.20 0.25 -5.02 114.94 115.30 3gm8 s ASN 290 Ca -0.05 -0.91 0.24 0.00 -0.94 0.00 0.00 52.86 51.21 3gm8 s ASN 290 Cb -0.14 0.20 1.44 0.00 -2.00 0.00 0.00 41.25 40.75 3gm8 s ASN 290 CO -0.03 -0.58 1.88 -0.81 -2.94 0.00 0.00 177.10 174.62 3gm8 n PRO 291 N 0.27 0.92 -0.09 3.55 -0.04 -1.26 -2.47 135.00 135.88 3gm8 n PRO 291 Ca -0.15 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.14 3gm8 n PRO 291 Cb 0.60 -1.41 -0.07 0.00 -0.04 0.00 0.00 33.50 32.59 3gm8 n PRO 291 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3gm8 n VAL 292 N -0.91 0.95 0.23 0.52 0.31 -1.26 -4.64 118.33 113.53 3gm8 n VAL 292 Ca 0.18 -0.27 0.03 0.00 -0.01 0.00 0.00 64.34 64.27 3gm8 n VAL 292 Cb 0.08 -1.55 0.03 0.00 -0.91 0.00 0.00 33.84 31.50 3gm8 n VAL 292 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3gm8 n SER 293 N -3.55 1.63 0.00 4.52 3.41 -1.26 -2.90 113.62 115.47 3gm8 n SER 293 Ca -0.33 -1.34 0.00 0.00 -0.26 0.00 0.00 58.87 56.95 3gm8 n SER 293 Cb 0.76 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 3gm8 n SER 293 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gm8 n GLY 294 N 0.34 1.78 3.48 5.00 0.00 -1.03 -4.75 105.19 110.01 3gm8 n GLY 294 Ca 0.04 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 3gm8 n GLY 294 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gm8 s PHE 295 N 0.00 2.69 -0.04 1.61 5.36 -1.26 -0.58 117.98 125.77 3gm8 s PHE 295 Ca 0.00 -0.16 0.01 0.00 -0.96 0.00 0.00 56.93 55.82 3gm8 s PHE 295 Cb 0.00 -1.61 0.02 0.00 -0.34 0.00 0.00 43.02 41.09 3gm8 s PHE 295 CO 0.00 0.20 -0.05 -0.51 -1.46 0.00 0.00 175.22 173.40 3gm8 s LEU 296 N -0.86 1.47 -0.15 6.12 1.02 0.12 -2.12 118.68 124.30 3gm8 s LEU 296 Ca 0.12 -0.13 -0.01 0.00 0.02 0.00 0.00 54.13 54.14 3gm8 s LEU 296 Cb -0.11 -0.43 -0.01 0.00 0.02 0.00 0.00 46.19 45.66 3gm8 s LEU 296 CO 0.01 -0.02 -0.12 -0.22 0.02 0.00 0.00 176.35 176.02 3gm8 s LEU 297 N 0.69 2.75 -1.43 1.79 2.96 0.16 -1.14 118.68 124.45 3gm8 s LEU 297 Ca -0.09 -0.34 -0.10 0.00 -0.22 0.00 0.00 54.13 53.38 3gm8 s LEU 297 Cb -0.12 -1.63 0.06 0.00 0.50 0.00 0.00 46.19 45.00 3gm8 s LEU 297 CO 0.00 0.13 0.68 0.59 -1.32 0.00 0.00 176.35 176.44 3gm8 n ASN 298 N 3.75 -4.62 0.00 3.68 3.02 -0.31 -1.08 115.26 119.70 3gm8 n ASN 298 Ca -0.18 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 3gm8 n ASN 298 Cb 0.52 -3.75 0.00 0.00 -0.61 0.00 0.00 39.78 35.95 3gm8 n ASN 298 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gm8 n GLY 299 N -1.43 2.26 3.67 7.41 0.00 -1.26 -4.98 105.19 110.86 3gm8 n GLY 299 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3gm8 n GLY 299 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gm8 s LYS 300 N -0.02 3.95 0.50 1.61 -0.14 -0.24 -5.04 119.74 120.36 3gm8 s LYS 300 Ca 0.00 -0.31 -0.20 0.00 -1.36 0.00 0.00 55.97 54.10 3gm8 s LYS 300 Cb 0.00 -3.24 -0.08 0.00 -1.68 0.00 0.00 37.83 32.83 3gm8 s LYS 300 CO 0.00 0.33 1.06 -1.54 -0.76 0.00 0.00 175.35 174.44 3gm8 s SER 301 N 0.23 6.22 -0.23 2.83 1.04 -1.26 -0.67 113.70 121.86 3gm8 s SER 301 Ca 0.05 1.98 -0.07 0.00 0.48 0.00 0.00 55.95 58.40 3gm8 s SER 301 Cb -0.12 -2.56 0.11 0.00 0.10 0.00 0.00 66.02 63.55 3gm8 s SER 301 CO -0.00 -0.86 0.48 -0.22 0.98 0.00 0.00 173.24 173.62 3gm8 s LEU 302 N -3.53 -0.81 0.19 2.42 2.96 -0.90 -4.85 118.68 114.16 3gm8 s LEU 302 Ca 0.68 1.05 -0.30 0.00 -0.22 0.00 0.00 54.13 55.34 3gm8 s LEU 302 Cb -0.18 1.61 -0.08 0.00 0.50 0.00 0.00 46.19 48.04 3gm8 s LEU 302 CO 0.21 -0.24 1.11 -0.75 -1.32 0.00 0.00 176.35 175.37 3gm8 s LYS 303 N 2.69 4.58 -0.47 1.98 2.47 -1.26 -4.44 119.74 125.30 3gm8 s LYS 303 Ca 0.00 1.75 -0.25 0.00 -1.56 0.00 0.00 55.97 55.91 3gm8 s LYS 303 Cb -0.13 -3.26 0.03 0.00 -1.46 0.00 0.00 37.83 33.01 3gm8 s LYS 303 CO -0.15 0.06 0.89 0.42 0.16 0.00 0.00 175.35 176.73 3gm8 s ILE 304 N -0.30 4.51 -0.81 5.43 1.01 -0.78 -4.97 121.20 125.29 3gm8 s ILE 304 Ca 0.49 0.60 -0.13 0.00 0.00 0.00 0.00 60.65 61.62 3gm8 s ILE 304 Cb -0.30 -4.41 0.21 0.00 0.01 0.00 0.00 42.46 37.97 3gm8 s ILE 304 CO 0.36 -0.83 0.74 -0.54 0.00 0.00 0.00 174.94 174.67 3gm8 s LYS 305 N 3.64 3.51 0.32 2.79 1.02 -1.26 -2.42 119.74 127.35 3gm8 s LYS 305 Ca 0.34 -2.49 0.10 0.00 0.02 0.00 0.00 55.97 53.94 3gm8 s LYS 305 Cb -0.11 -4.36 -0.06 0.00 -0.52 0.00 0.00 37.83 32.79 3gm8 s LYS 305 CO 0.25 -1.28 -0.07 0.20 -0.92 0.00 0.00 175.35 173.53 3gm8 s GLY 306 N 1.98 2.03 0.04 -3.33 0.00 -0.18 -1.15 107.32 106.71 3gm8 s GLY 306 Ca 0.18 -1.96 0.01 0.00 0.00 0.00 0.00 44.72 42.95 3gm8 s GLY 306 CO -0.08 -1.94 -0.05 -1.34 0.00 0.00 0.00 173.10 169.69 3gm8 s VAL 307 N -2.53 0.31 0.38 1.40 -7.23 -0.48 -2.06 120.40 110.19 3gm8 s VAL 307 Ca 0.33 -1.14 -0.09 0.00 -1.81 0.00 0.00 61.98 59.27 3gm8 s VAL 307 Cb -0.01 -0.61 -0.06 0.00 0.56 0.00 0.00 36.38 36.26 3gm8 s VAL 307 CO 0.18 -0.54 0.71 0.00 -0.31 0.00 0.00 175.10 175.14 3gm8 s ASP 309 N -3.20 0.09 0.45 0.00 -1.08 -1.15 -2.49 116.67 109.29 3gm8 s ASP 309 Ca 0.49 -0.77 0.08 0.00 -0.52 0.00 0.00 52.55 51.83 3gm8 s ASP 309 Cb -0.10 0.38 0.01 0.00 -1.46 0.00 0.00 42.92 41.75 3gm8 s ASP 309 CO 0.31 -0.80 0.50 -1.00 0.52 0.00 0.00 175.17 174.71 3gm8 s HIS 310 N -3.92 2.48 -0.62 -5.34 3.76 -1.26 -2.53 115.29 107.86 3gm8 s HIS 310 Ca 0.11 -0.52 0.25 0.00 -0.15 0.00 0.00 55.06 54.76 3gm8 s HIS 310 Cb 0.04 -2.23 0.75 0.00 1.11 0.00 0.00 32.58 32.25 3gm8 s HIS 310 CO -0.06 -0.40 1.74 1.12 -0.85 0.00 0.00 174.74 176.30 3gm8 h HIS 311 N 0.75 0.00 -3.56 1.40 2.07 -1.94 -3.46 115.15 110.41 3gm8 h HIS 311 Ca -0.39 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 56.61 3gm8 h HIS 311 Cb 1.28 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.23 3gm8 h HIS 311 CO 0.50 0.00 -0.00 0.95 -3.07 0.00 0.00 177.93 176.31 3gm8 s THR 312 N -3.16 4.79 -0.55 6.12 -4.23 -1.26 -4.84 115.64 112.51 3gm8 s THR 312 Ca 0.09 0.77 0.07 0.00 -1.18 0.00 0.00 61.69 61.44 3gm8 s THR 312 Cb 0.10 -3.64 0.27 0.00 1.34 0.00 0.00 72.50 70.57 3gm8 s THR 312 CO 0.59 -0.07 0.71 0.52 -0.54 0.00 0.00 174.62 175.83 3gm8 n VAL 313 N -0.08 1.44 0.00 2.29 0.31 0.00 -4.89 118.33 117.40 3gm8 n VAL 313 Ca 0.01 -4.89 0.00 0.00 -0.01 0.00 0.00 64.34 59.45 3gm8 n VAL 313 Cb 0.53 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 3gm8 n VAL 313 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gm8 n GLY 314 N 0.83 3.39 0.31 2.92 0.00 -1.26 -2.65 105.19 108.73 3gm8 n GLY 314 Ca 0.27 0.25 0.19 0.00 0.00 0.00 0.00 46.02 46.73 3gm8 n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gm8 h ALA 315 N -0.66 1.11 -0.02 4.61 0.00 -1.88 0.25 119.26 122.68 3gm8 h ALA 315 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gm8 h ALA 315 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gm8 h ALA 315 CO 0.00 0.03 -0.01 1.33 0.00 0.00 0.00 179.25 180.60 3gm8 n VAL 316 N -3.28 0.00 -1.34 0.00 0.24 -1.09 -4.86 118.33 108.00 3gm8 n VAL 316 Ca -0.02 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 3gm8 n VAL 316 Cb 0.16 0.81 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 3gm8 n VAL 316 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gm8 n GLY 317 N 1.24 3.06 0.12 7.63 0.00 0.88 -2.63 105.19 115.49 3gm8 n GLY 317 Ca 0.17 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3gm8 n GLY 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gm8 h ALA 318 N -0.74 0.89 -2.29 4.61 0.00 -1.88 0.05 119.26 119.89 3gm8 h ALA 318 Ca 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.18 3gm8 h ALA 318 Cb 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.58 3gm8 h ALA 318 CO 0.00 0.00 0.55 0.00 0.00 0.00 0.00 179.25 179.80 3gm8 s ALA 319 N -3.15 3.70 -0.20 0.00 0.00 -1.08 -4.82 121.76 116.21 3gm8 s ALA 319 Ca 0.08 -3.03 -0.07 0.00 0.00 0.00 0.00 51.96 48.94 3gm8 s ALA 319 Cb 0.11 -3.83 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 3gm8 s ALA 319 CO 0.65 -2.68 0.06 0.08 0.00 0.00 0.00 175.76 173.87 3gm8 s VAL 320 N 1.56 4.60 0.45 0.00 1.01 -1.26 -4.86 120.40 121.90 3gm8 s VAL 320 Ca 0.27 -0.09 -0.15 0.00 0.00 0.00 0.00 61.98 62.01 3gm8 s VAL 320 Cb -0.07 -3.10 -0.08 0.00 0.00 0.00 0.00 36.38 33.13 3gm8 s VAL 320 CO -0.09 0.42 0.89 -2.84 0.00 0.00 0.00 175.10 173.48 3gm8 s PRO 321 N 0.78 3.95 0.22 2.72 0.02 -1.26 -4.95 135.00 136.48 3gm8 s PRO 321 Ca 0.03 0.80 -0.09 0.00 0.02 0.00 0.00 61.00 61.77 3gm8 s PRO 321 Cb -0.14 -2.25 0.22 0.00 0.02 0.00 0.00 34.50 32.35 3gm8 s PRO 321 CO 0.02 -0.12 1.85 -0.44 -0.33 0.00 0.00 177.00 177.99 3gm8 h ASP 322 N 1.32 0.77 -0.99 2.53 3.32 -1.99 -1.44 116.42 119.94 3gm8 h ASP 322 Ca -0.47 0.00 0.17 0.00 0.02 0.00 0.00 57.03 56.75 3gm8 h ASP 322 Cb 1.18 -0.17 -0.10 0.00 0.22 0.00 0.00 39.33 40.47 3gm8 h ASP 322 CO 0.63 0.53 0.60 0.44 -1.72 0.00 0.00 179.24 179.72 3gm8 h ASP 323 N 0.91 0.80 -0.18 6.45 3.32 -1.94 0.12 116.42 125.90 3gm8 h ASP 323 Ca 0.30 0.08 -0.18 0.00 0.02 0.00 0.00 57.03 57.26 3gm8 h ASP 323 Cb 0.03 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.52 3gm8 h ASP 323 CO -0.12 0.32 -0.59 0.25 -1.72 0.00 0.00 179.24 177.38 3gm8 h LEU 324 N 0.81 0.84 -0.56 1.55 5.85 -1.64 -1.13 115.31 121.03 3gm8 h LEU 324 Ca 0.55 -0.59 0.08 0.00 0.84 0.00 0.00 57.88 58.76 3gm8 h LEU 324 Cb 0.77 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 3gm8 h LEU 324 CO -0.35 1.29 0.21 0.25 -0.34 0.00 0.00 178.44 179.49 3gm8 h LEU 325 N 0.44 0.21 -0.05 2.25 5.85 -1.07 -0.81 115.31 122.13 3gm8 h LEU 325 Ca -0.02 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3gm8 h LEU 325 Cb 1.22 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 3gm8 h LEU 325 CO 0.13 0.14 -0.05 -0.74 -0.34 0.00 0.00 178.44 177.57 3gm8 h HIS 326 N 0.39 -0.12 -0.49 1.25 2.76 -0.57 -0.70 115.15 117.67 3gm8 h HIS 326 Ca 0.27 0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.54 3gm8 h HIS 326 Cb 0.31 0.06 -0.08 0.00 1.55 0.00 0.00 27.41 29.26 3gm8 h HIS 326 CO -0.16 -0.08 0.05 -0.92 -1.30 0.00 0.00 177.93 175.51 3gm8 h TYR 327 N -0.07 0.06 -0.35 5.26 3.20 -0.65 -0.76 116.97 123.65 3gm8 h TYR 327 Ca 0.04 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 3gm8 h TYR 327 Cb 0.12 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3gm8 h TYR 327 CO -0.15 -0.06 0.04 0.00 -1.64 0.00 0.00 178.16 176.35 3gm8 h ARG 328 N 0.17 0.58 -0.87 1.82 3.08 -0.67 -2.38 114.38 116.12 3gm8 h ARG 328 Ca 0.25 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 3gm8 h ARG 328 Cb 0.36 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 3gm8 h ARG 328 CO -0.37 0.67 0.54 -0.07 -1.07 0.00 0.00 179.97 179.67 3gm8 h LEU 329 N 0.41 1.03 -0.62 3.04 3.38 -0.75 -1.64 115.31 120.16 3gm8 h LEU 329 Ca 0.10 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3gm8 h LEU 329 Cb 0.38 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3gm8 h LEU 329 CO 0.01 0.78 0.09 0.50 0.09 0.00 0.00 178.44 179.91 3gm8 h LYS 330 N 1.19 1.03 -0.72 1.13 1.63 -1.10 0.28 116.57 120.02 3gm8 h LYS 330 Ca 0.31 -0.28 0.06 0.00 -0.85 0.00 0.00 60.65 59.89 3gm8 h LYS 330 Cb -0.07 -0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 31.38 3gm8 h LYS 330 CO -0.06 0.97 0.42 1.25 -3.45 0.00 0.00 179.45 178.58 3gm8 h LEU 331 N 0.94 0.65 -0.23 5.20 5.85 -0.89 0.11 115.31 126.93 3gm8 h LEU 331 Ca 0.19 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 3gm8 h LEU 331 Cb 0.45 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3gm8 h LEU 331 CO 0.01 0.42 0.13 -0.07 -0.34 0.00 0.00 178.44 178.59 3gm8 h LEU 332 N 0.78 0.29 -0.81 2.25 3.38 -0.70 -2.05 115.31 118.45 3gm8 h LEU 332 Ca 0.32 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.25 3gm8 h LEU 332 Cb 0.16 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3gm8 h LEU 332 CO -0.17 0.29 0.50 0.50 0.09 0.00 0.00 178.44 179.65 3gm8 h LYS 333 N 0.27 0.92 0.00 1.13 1.63 0.31 -1.62 116.57 119.21 3gm8 h LYS 333 Ca 0.08 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 3gm8 h LYS 333 Cb 0.06 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.48 3gm8 h LYS 333 CO -0.01 0.61 0.00 -0.44 -3.45 0.00 0.00 179.45 176.16 3gm8 h ASP 334 N 0.95 0.00 0.38 4.20 3.32 -0.56 -1.84 116.42 122.87 3gm8 h ASP 334 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 3gm8 h ASP 334 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3gm8 h ASP 334 CO -0.15 0.00 0.00 0.80 -1.72 0.00 0.00 179.24 178.17 3gm8 n MET 335 N -2.50 0.50 -0.77 3.56 1.56 -0.64 -4.90 117.12 113.93 3gm8 n MET 335 Ca 0.03 0.03 0.00 0.00 -0.27 0.00 0.00 57.70 57.48 3gm8 n MET 335 Cb 0.31 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 34.18 3gm8 n MET 335 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3gm8 n GLY 336 N 0.92 0.60 3.74 -5.12 0.00 -0.69 -3.28 105.19 101.36 3gm8 n GLY 336 Ca 0.15 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3gm8 n GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gm8 n ASN 338 N 2.17 1.30 -3.61 0.00 0.23 -0.30 -4.46 115.26 110.58 3gm8 n ASN 338 Ca 0.01 -1.36 -0.16 0.00 -0.53 0.00 0.00 54.58 52.54 3gm8 n ASN 338 Cb 0.47 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.10 3gm8 n ASN 338 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gm8 s ALA 339 N -0.36 -1.39 0.03 -2.53 0.00 -1.16 -0.66 121.76 115.69 3gm8 s ALA 339 Ca 0.00 0.94 0.05 0.00 0.00 0.00 0.00 51.96 52.94 3gm8 s ALA 339 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 3gm8 s ALA 339 CO 0.00 -0.33 -0.14 0.42 0.00 0.00 0.00 175.76 175.72 3gm8 s ILE 340 N -1.25 1.07 -0.16 0.00 1.01 -0.60 -1.38 121.20 119.89 3gm8 s ILE 340 Ca -0.12 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 59.62 3gm8 s ILE 340 Cb -0.02 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.48 3gm8 s ILE 340 CO 0.08 0.06 -0.08 -0.60 0.00 0.00 0.00 174.94 174.40 3gm8 s ARG 341 N -0.95 3.50 -1.46 2.79 3.52 -0.44 -1.43 118.95 124.48 3gm8 s ARG 341 Ca 0.02 -0.61 -0.13 0.00 -0.13 0.00 0.00 55.73 54.88 3gm8 s ARG 341 Cb -0.07 -2.81 -0.00 0.00 -1.56 0.00 0.00 34.95 30.50 3gm8 s ARG 341 CO 0.01 0.15 2.40 0.25 -0.81 0.00 0.00 175.30 177.30 3gm8 n THR 342 N 3.75 3.57 -2.04 4.11 -2.24 -0.94 -2.95 114.28 117.54 3gm8 n THR 342 Ca -0.18 -2.80 -0.42 0.00 -2.27 0.00 0.00 64.05 58.38 3gm8 n THR 342 Cb 0.52 -2.59 -0.03 0.00 -2.10 0.00 0.00 70.33 66.14 3gm8 n THR 342 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3gm8 s SER 343 N 3.04 6.69 -0.48 3.42 1.04 -1.05 -1.56 113.70 124.80 3gm8 s SER 343 Ca 0.53 2.29 0.08 0.00 0.48 0.00 0.00 55.95 59.33 3gm8 s SER 343 Cb 0.15 -2.55 0.32 0.00 0.10 0.00 0.00 66.02 64.03 3gm8 s SER 343 CO -0.07 -0.86 0.77 1.41 0.98 0.00 0.00 173.24 175.46 3gm8 n HIS 344 N 6.17 1.80 -3.61 5.02 -0.00 -1.26 -4.22 115.22 119.10 3gm8 n HIS 344 Ca 0.16 -3.88 -0.02 0.00 -0.00 0.00 0.00 57.72 53.98 3gm8 n HIS 344 Cb 0.42 -0.45 -0.02 0.00 -0.00 0.00 0.00 29.99 29.95 3gm8 n HIS 344 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3gm8 s ASN 345 N -2.55 -0.05 0.37 0.41 4.22 -0.60 -2.84 114.94 113.89 3gm8 s ASN 345 Ca 0.42 -0.02 -0.28 0.00 -2.14 0.00 0.00 52.86 50.84 3gm8 s ASN 345 Cb 0.27 0.07 -0.11 0.00 1.28 0.00 0.00 41.25 42.76 3gm8 s ASN 345 CO -0.09 -0.11 1.42 -2.84 -2.04 0.00 0.00 177.10 173.43 3gm8 s PRO 346 N -2.19 4.17 0.00 3.55 0.02 -1.12 -4.59 135.00 134.84 3gm8 s PRO 346 Ca 0.12 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.57 3gm8 s PRO 346 Cb 0.01 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.55 3gm8 s PRO 346 CO -0.04 -0.43 0.00 1.19 -0.33 0.00 0.00 177.00 177.40 3gm8 n PHE 347 N 0.53 -2.51 -2.56 6.54 3.01 -1.26 -4.87 117.46 116.34 3gm8 n PHE 347 Ca 0.01 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.16 3gm8 n PHE 347 Cb 0.40 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.84 3gm8 n PHE 347 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3gm8 s SER 348 N -1.00 6.54 0.27 4.37 1.04 -1.26 -4.98 113.70 118.68 3gm8 s SER 348 Ca 0.00 1.35 -0.01 0.00 0.48 0.00 0.00 55.95 57.76 3gm8 s SER 348 Cb 0.00 -2.42 0.59 0.00 0.10 0.00 0.00 66.02 64.29 3gm8 s SER 348 CO 0.00 -0.53 1.67 -0.65 0.98 0.00 0.00 173.24 174.71 3gm8 h PRO 349 N 0.95 0.24 -0.88 4.02 0.11 -1.98 -1.48 132.00 132.98 3gm8 h PRO 349 Ca -0.47 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.67 3gm8 h PRO 349 Cb 1.19 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 3gm8 h PRO 349 CO 0.63 0.16 0.58 0.00 -0.21 0.00 0.00 178.00 179.15 3gm8 h ALA 350 N 1.70 1.46 0.31 -0.75 0.00 -1.99 -1.32 119.26 118.67 3gm8 h ALA 350 Ca 0.49 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 3gm8 h ALA 350 Cb 0.91 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3gm8 h ALA 350 CO -0.58 0.45 -0.15 0.35 0.00 0.00 0.00 179.25 179.31 3gm8 h PHE 351 N 1.08 -0.39 -0.92 0.00 3.57 -1.66 -1.43 116.94 117.19 3gm8 h PHE 351 Ca 0.35 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 3gm8 h PHE 351 Cb 0.04 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 3gm8 h PHE 351 CO -0.00 -0.20 0.53 1.88 -2.23 0.00 0.00 178.31 178.29 3gm8 h TYR 352 N -0.48 1.25 -0.83 0.41 0.05 -1.39 -0.81 116.97 115.17 3gm8 h TYR 352 Ca -0.04 -0.02 0.08 0.00 0.05 0.00 0.00 58.73 58.80 3gm8 h TYR 352 Cb 0.36 -0.40 -0.06 0.00 1.01 0.00 0.00 36.73 37.64 3gm8 h TYR 352 CO -0.04 0.85 0.54 -0.91 -1.05 0.00 0.00 178.16 177.55 3gm8 h ASN 353 N 1.29 0.77 0.54 3.88 2.35 -1.08 -0.77 115.58 122.54 3gm8 h ASN 353 Ca 0.33 0.01 -0.29 0.00 -0.55 0.00 0.00 56.30 55.80 3gm8 h ASN 353 Cb -0.01 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.22 3gm8 h ASN 353 CO -0.06 0.48 -1.32 -0.07 -1.65 0.00 0.00 177.43 174.81 3gm8 h LEU 354 N 0.86 0.52 -0.87 1.61 3.38 -0.22 -2.64 115.31 117.95 3gm8 h LEU 354 Ca 0.37 -0.57 0.03 0.00 0.09 0.00 0.00 57.88 57.80 3gm8 h LEU 354 Cb 0.31 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3gm8 h LEU 354 CO -0.14 1.45 0.57 0.00 0.09 0.00 0.00 178.44 180.40 3gm8 h ASP 356 N 1.12 -0.19 1.58 0.00 3.32 -1.06 -0.13 116.42 121.07 3gm8 h ASP 356 Ca 0.34 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.38 3gm8 h ASP 356 Cb -0.04 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3gm8 h ASP 356 CO -0.10 -0.09 -0.23 0.71 -1.72 0.00 0.00 179.24 177.81 3gm8 h THR 357 N -0.08 0.42 0.00 0.35 1.35 -1.19 -3.30 112.91 110.46 3gm8 h THR 357 Ca 0.05 -1.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 3gm8 h THR 357 Cb 0.14 2.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3gm8 h THR 357 CO -0.11 0.22 -1.78 0.23 -0.25 0.00 0.00 175.52 173.83 3gm8 n MET 358 N -3.19 0.62 -0.68 4.72 2.81 0.39 -4.73 117.12 117.06 3gm8 n MET 358 Ca 0.02 -0.14 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 3gm8 n MET 358 Cb 0.58 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 3gm8 n MET 358 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gm8 n GLY 359 N 1.26 0.71 3.00 3.03 0.00 -0.12 -4.86 105.19 108.21 3gm8 n GLY 359 Ca -0.03 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 3gm8 n GLY 359 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gm8 s ILE 360 N -2.11 1.45 0.39 -0.61 1.01 -0.83 -4.45 121.20 116.06 3gm8 s ILE 360 Ca 0.00 -0.56 -0.26 0.00 0.00 0.00 0.00 60.65 59.83 3gm8 s ILE 360 Cb 0.00 -1.37 -0.09 0.00 0.01 0.00 0.00 42.46 41.01 3gm8 s ILE 360 CO 0.00 0.44 1.21 -0.04 0.00 0.00 0.00 174.94 176.55 3gm8 s MET 361 N 1.47 4.07 -0.07 2.79 -1.94 0.17 -4.56 119.30 121.21 3gm8 s MET 361 Ca 0.03 1.94 0.03 0.00 -1.71 0.00 0.00 55.69 55.99 3gm8 s MET 361 Cb -0.13 -2.74 -0.02 0.00 2.01 0.00 0.00 34.83 33.96 3gm8 s MET 361 CO -0.09 -0.34 -0.17 0.08 -0.01 0.00 0.00 175.02 174.49 3gm8 s VAL 362 N -1.35 2.76 -0.52 -6.03 1.01 0.23 -1.55 120.40 114.94 3gm8 s VAL 362 Ca 0.56 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 61.54 3gm8 s VAL 362 Cb -0.33 -2.08 0.07 0.00 0.00 0.00 0.00 36.38 34.04 3gm8 s VAL 362 CO 0.42 0.57 0.62 -0.22 0.00 0.00 0.00 175.10 176.49 3gm8 s LEU 363 N -0.27 5.14 -0.38 3.92 2.96 -0.51 -1.29 118.68 128.24 3gm8 s LEU 363 Ca 0.01 -1.09 -0.16 0.00 -0.22 0.00 0.00 54.13 52.67 3gm8 s LEU 363 Cb -0.13 -2.38 0.00 0.00 0.50 0.00 0.00 46.19 44.18 3gm8 s LEU 363 CO 0.03 -0.92 0.41 0.21 -1.32 0.00 0.00 176.35 174.75 3gm8 s ASN 364 N 2.91 6.20 -0.08 3.68 2.47 -0.34 -2.21 114.94 127.58 3gm8 s ASN 364 Ca 0.13 -0.41 0.01 0.00 0.42 0.00 0.00 52.86 53.00 3gm8 s ASN 364 Cb -0.21 -2.21 -0.03 0.00 -1.45 0.00 0.00 41.25 37.35 3gm8 s ASN 364 CO 0.10 -0.46 -0.07 -0.70 -3.72 0.00 0.00 177.10 172.25 3gm8 s GLU 365 N 2.10 2.84 0.00 0.43 2.12 -1.26 -1.71 118.70 123.22 3gm8 s GLU 365 Ca 0.12 -0.56 0.11 0.00 0.36 0.00 0.00 54.97 55.01 3gm8 s GLU 365 Cb -0.17 -2.61 -0.08 0.00 0.26 0.00 0.00 34.13 31.53 3gm8 s GLU 365 CO 0.13 0.61 0.55 0.41 -0.54 0.00 0.00 175.26 176.41 3gm8 n GLY 366 N 2.39 -0.07 3.39 -1.50 0.00 -0.82 -2.79 105.19 105.79 3gm8 n GLY 366 Ca -0.18 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 3gm8 n GLY 366 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gm8 s LEU 367 N -2.27 -0.14 0.00 0.99 1.43 -1.20 -4.43 118.68 113.05 3gm8 s LEU 367 Ca 0.06 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 3gm8 s LEU 367 Cb 0.09 2.22 0.00 0.00 0.03 0.00 0.00 46.19 48.53 3gm8 s LEU 367 CO 0.41 -0.82 0.00 -0.67 0.23 0.00 0.00 176.35 175.49 3gm8 n ASP 368 N 0.04 0.00 -4.02 2.29 2.03 -1.13 -4.08 116.55 111.68 3gm8 n ASP 368 Ca -0.17 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.84 3gm8 n ASP 368 Cb 0.62 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 41.22 3gm8 n ASP 368 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3gm8 s GLY 369 N 0.00 1.82 0.00 0.27 0.00 -1.26 -1.19 107.32 106.95 3gm8 s GLY 369 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.35 3gm8 s GLY 369 CO 0.00 -0.55 0.00 0.79 0.00 0.00 0.00 173.10 173.34 3gm8 n TRP 370 N -3.79 0.00 1.10 1.90 8.01 -1.26 -4.80 117.44 118.61 3gm8 n TRP 370 Ca 0.17 0.00 0.12 0.00 -1.31 0.00 0.00 57.50 56.48 3gm8 n TRP 370 Cb 0.59 0.00 0.15 0.00 -2.01 0.00 0.00 31.31 30.04 3gm8 n TRP 370 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.69 176.95 3gm8 n ASN 371 N 0.00 1.72 -4.55 -0.99 6.94 -1.26 -3.42 115.26 113.70 3gm8 n ASN 371 Ca 0.00 -1.33 -0.40 0.00 -0.02 0.00 0.00 54.58 52.83 3gm8 n ASN 371 Cb 0.00 0.32 -0.09 0.00 -2.36 0.00 0.00 39.78 37.65 3gm8 n ASN 371 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3gm8 s GLN 372 N -2.45 3.59 0.47 -3.83 -0.21 -1.26 -4.68 119.66 111.30 3gm8 s GLN 372 Ca 0.22 -0.41 -0.24 0.00 0.02 0.00 0.00 55.36 54.95 3gm8 s GLN 372 Cb 0.19 -3.79 -0.08 0.00 1.00 0.00 0.00 33.01 30.32 3gm8 s GLN 372 CO 0.53 -0.49 1.21 -2.30 -2.12 0.00 0.00 175.29 172.13 3gm8 n PRO 373 N 5.34 1.67 -0.12 2.91 -0.02 -1.26 -4.76 135.00 138.75 3gm8 n PRO 373 Ca -0.10 0.60 -0.22 0.00 -2.02 0.00 0.00 63.50 61.77 3gm8 n PRO 373 Cb 0.50 -2.35 -0.09 0.00 -0.02 0.00 0.00 33.50 31.53 3gm8 n PRO 373 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3gm8 n LYS 374 N -0.30 0.53 -3.99 -0.52 5.02 -1.26 -4.86 118.16 112.78 3gm8 n LYS 374 Ca 0.09 0.19 -0.37 0.00 -2.02 0.00 0.00 58.31 56.20 3gm8 n LYS 374 Cb 0.42 -1.39 -0.07 0.00 -0.02 0.00 0.00 35.03 33.97 3gm8 n LYS 374 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gm8 s ALA 375 N -2.44 3.75 0.56 7.82 0.00 -1.26 -5.03 121.76 125.15 3gm8 s ALA 375 Ca -0.32 -0.68 0.24 0.00 0.00 0.00 0.00 51.96 51.20 3gm8 s ALA 375 Cb 0.11 -1.86 1.55 0.00 0.00 0.00 0.00 23.12 22.91 3gm8 s ALA 375 CO 0.46 0.61 2.15 0.00 0.00 0.00 0.00 175.76 178.98 3gm8 h ALA 376 N 5.03 1.87 -0.25 0.00 0.00 -1.88 -0.03 119.26 124.01 3gm8 h ALA 376 Ca -0.54 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 3gm8 h ALA 376 Cb 1.22 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gm8 h ALA 376 CO 0.57 -0.15 -0.00 -0.25 0.00 0.00 0.00 179.25 179.42 3gm8 n ASP 377 N -4.13 3.77 -2.05 0.00 8.00 0.46 -4.91 116.55 117.70 3gm8 n ASP 377 Ca -0.00 -3.04 0.00 0.00 0.71 0.00 0.00 54.79 52.46 3gm8 n ASP 377 Cb 0.21 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 3gm8 n ASP 377 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3gm8 n ASP 378 N -0.58 0.00 0.26 -2.24 5.68 -0.03 -4.38 116.55 115.26 3gm8 n ASP 378 Ca 0.21 -0.95 0.13 0.00 -0.50 0.00 0.00 54.79 53.69 3gm8 n ASP 378 Cb 0.88 0.00 0.66 0.00 -1.14 0.00 0.00 41.12 41.53 3gm8 n ASP 378 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 3gm8 h TYR 379 N -0.91 0.00 -0.32 2.11 3.20 -1.86 -2.02 116.97 117.18 3gm8 h TYR 379 Ca 0.00 0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.97 3gm8 h TYR 379 Cb 0.00 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.21 3gm8 h TYR 379 CO 0.00 0.12 0.04 0.41 -1.64 0.00 0.00 178.16 177.09 3gm8 n GLY 380 N -0.27 -0.39 0.23 1.82 0.00 -1.22 0.93 105.19 106.29 3gm8 n GLY 380 Ca -0.01 0.30 0.12 0.00 0.00 0.00 0.00 46.02 46.44 3gm8 n GLY 380 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3gm8 h ASN 381 N 0.00 0.00 0.00 1.61 2.35 -1.63 -3.31 115.58 114.60 3gm8 h ASN 381 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3gm8 h ASN 381 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3gm8 h ASN 381 CO -0.29 0.11 -0.63 -1.22 -1.65 0.00 0.00 177.43 173.75 3gm8 n TYR 382 N -3.18 0.00 0.07 1.19 4.01 0.27 -4.81 117.16 114.70 3gm8 n TYR 382 Ca 0.02 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.61 3gm8 n TYR 382 Cb 0.44 -0.03 -0.08 0.00 -0.31 0.00 0.00 39.34 39.36 3gm8 n TYR 382 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3gm8 h PHE 383 N 0.00 -1.40 -0.96 -0.72 3.57 -1.27 -0.77 116.94 115.39 3gm8 h PHE 383 Ca 0.00 0.04 0.19 0.00 3.53 0.00 0.00 57.97 61.73 3gm8 h PHE 383 Cb 0.28 0.61 -0.11 0.00 2.79 0.00 0.00 35.95 39.52 3gm8 h PHE 383 CO 0.00 -0.55 0.55 -0.44 -2.23 0.00 0.00 178.31 175.64 3gm8 h ASP 384 N -0.65 0.68 0.89 0.41 3.32 -1.87 0.43 116.42 119.64 3gm8 h ASP 384 Ca 0.02 0.10 -0.19 0.00 0.02 0.00 0.00 57.03 56.99 3gm8 h ASP 384 Cb 0.71 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 3gm8 h ASP 384 CO -0.33 0.23 -1.19 -0.08 -1.72 0.00 0.00 179.24 176.15 3gm8 h GLU 385 N 0.69 0.00 0.00 3.56 4.81 -1.86 -3.41 114.58 118.38 3gm8 h GLU 385 Ca 0.56 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 3gm8 h GLU 385 Cb 0.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3gm8 h GLU 385 CO -0.40 0.52 -0.20 0.91 -0.73 0.00 0.00 179.01 179.11 3gm8 n TRP 386 N -3.09 0.00 -0.33 0.92 7.02 -0.30 -4.77 117.44 116.90 3gm8 n TRP 386 Ca -0.07 0.00 0.22 0.00 -1.02 0.00 0.00 57.50 56.63 3gm8 n TRP 386 Cb 0.88 -0.00 0.49 0.00 -2.42 0.00 0.00 31.31 30.26 3gm8 n TRP 386 CO 0.00 0.00 0.00 0.11 -2.02 0.00 0.00 177.69 175.78 3gm8 h TRP 387 N 0.00 0.70 0.04 -5.99 5.08 -0.41 -0.49 115.95 114.88 3gm8 h TRP 387 Ca 0.00 0.02 -0.13 0.00 1.08 0.00 0.00 58.89 59.87 3gm8 h TRP 387 Cb 0.00 -0.20 -0.00 0.00 -3.00 0.00 0.00 29.16 25.96 3gm8 h TRP 387 CO 0.00 0.06 -0.64 0.37 -1.28 0.00 0.00 178.44 176.96 3gm8 h GLN 388 N 0.42 0.09 -0.56 0.12 4.15 -1.86 -1.95 115.11 115.52 3gm8 h GLN 388 Ca 0.60 -0.15 0.03 0.00 0.77 0.00 0.00 58.65 59.90 3gm8 h GLN 388 Cb 1.47 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 29.18 3gm8 h GLN 388 CO -0.32 1.07 0.32 -0.22 -1.93 0.00 0.00 178.83 177.76 3gm8 h LYS 389 N -0.78 0.61 0.54 1.69 3.64 -1.84 -1.63 116.57 118.79 3gm8 h LYS 389 Ca -0.15 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.17 3gm8 h LYS 389 Cb 1.30 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 32.98 3gm8 h LYS 389 CO -0.01 0.41 -0.26 -0.44 -2.27 0.00 0.00 179.45 176.88 3gm8 h ASP 390 N 0.63 -0.61 -0.17 4.20 3.32 -1.15 -1.46 116.42 121.18 3gm8 h ASP 390 Ca 0.24 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 3gm8 h ASP 390 Cb 0.07 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3gm8 h ASP 390 CO -0.12 -0.34 0.07 0.24 -1.72 0.00 0.00 179.24 177.37 3gm8 h MET 391 N -0.85 0.32 0.22 3.56 2.86 -1.37 -0.27 114.93 119.39 3gm8 h MET 391 Ca -0.07 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3gm8 h MET 391 Cb 0.60 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.20 3gm8 h MET 391 CO 0.12 0.28 -0.11 1.15 1.06 0.00 0.00 176.91 179.42 3gm8 h THR 392 N 0.32 0.85 -0.98 2.22 2.02 -1.18 -0.71 112.91 115.44 3gm8 h THR 392 Ca 0.08 -0.45 0.10 0.00 0.77 0.00 0.00 66.41 66.91 3gm8 h THR 392 Cb 0.10 1.11 -0.08 0.00 -1.74 0.00 0.00 68.15 67.54 3gm8 h THR 392 CO -0.01 0.10 0.62 0.44 0.37 0.00 0.00 175.52 177.04 3gm8 h ASP 393 N -0.53 0.93 0.26 4.18 3.32 -0.79 -0.71 116.42 123.08 3gm8 h ASP 393 Ca -0.03 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gm8 h ASP 393 Cb 0.39 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3gm8 h ASP 393 CO 0.05 0.53 -0.22 0.15 -1.72 0.00 0.00 179.24 178.04 3gm8 h PHE 394 N 1.03 -0.57 -0.41 4.55 3.57 -0.95 -0.82 116.94 123.34 3gm8 h PHE 394 Ca 0.47 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.92 3gm8 h PHE 394 Cb 0.38 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 3gm8 h PHE 394 CO -0.01 -0.33 0.07 0.82 -2.23 0.00 0.00 178.31 176.64 3gm8 h ILE 395 N -0.49 1.24 0.00 1.41 2.04 -0.80 -2.21 117.51 118.69 3gm8 h ILE 395 Ca -0.01 -0.86 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 3gm8 h ILE 395 Cb 0.44 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3gm8 h ILE 395 CO -0.02 0.30 -0.30 0.11 0.00 0.00 0.00 178.15 178.24 3gm8 h LYS 396 N 0.53 0.00 -0.26 2.37 1.57 -1.13 -0.93 116.57 118.73 3gm8 h LYS 396 Ca 0.13 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 3gm8 h LYS 396 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 3gm8 h LYS 396 CO 0.01 0.30 -0.34 -0.09 -0.57 0.00 0.00 179.45 178.75 3gm8 h ARG 397 N 0.00 0.69 -0.00 3.15 2.43 -0.80 -3.39 114.38 116.45 3gm8 h ARG 397 Ca -0.00 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 3gm8 h ARG 397 Cb 0.56 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3gm8 h ARG 397 CO 0.04 1.01 -0.66 -0.25 -1.51 0.00 0.00 179.97 178.60 3gm8 n ASP 398 N -4.24 0.93 0.15 -3.80 8.00 -0.86 -4.62 116.55 112.10 3gm8 n ASP 398 Ca -0.05 -0.96 0.12 0.00 0.71 0.00 0.00 54.79 54.61 3gm8 n ASP 398 Cb 0.51 0.89 0.54 0.00 -0.02 0.00 0.00 41.12 43.03 3gm8 n ASP 398 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3gm8 n ARG 399 N -1.12 0.18 0.01 -1.24 1.85 -0.37 -2.13 116.66 113.84 3gm8 n ARG 399 Ca 0.04 0.51 0.13 0.00 -1.00 0.00 0.00 57.85 57.53 3gm8 n ARG 399 Cb 0.27 -1.92 0.42 0.00 -1.05 0.00 0.00 32.46 30.18 3gm8 n ARG 399 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3gm8 n ASN 400 N -2.27 0.30 -4.65 2.89 3.02 -1.26 -4.88 115.26 108.41 3gm8 n ASN 400 Ca 0.01 0.17 -0.43 0.00 -0.03 0.00 0.00 54.58 54.30 3gm8 n ASN 400 Cb 0.16 -0.16 -0.02 0.00 -0.61 0.00 0.00 39.78 39.14 3gm8 n ASN 400 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3gm8 s HIS 401 N -3.02 2.42 0.50 3.10 3.76 -0.90 -4.51 115.29 116.64 3gm8 s HIS 401 Ca 0.12 0.64 0.25 0.00 -0.15 0.00 0.00 55.06 55.92 3gm8 s HIS 401 Cb 0.18 -3.74 1.53 0.00 1.11 0.00 0.00 32.58 31.66 3gm8 s HIS 401 CO 0.62 -2.66 2.15 -1.00 -0.85 0.00 0.00 174.74 172.99 3gm8 h PRO 402 N 9.08 0.00 -0.44 8.40 0.13 -1.88 -2.54 132.00 144.74 3gm8 h PRO 402 Ca -0.32 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 3gm8 h PRO 402 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 3gm8 h PRO 402 CO 0.97 0.07 0.24 0.66 -0.23 0.00 0.00 178.00 179.71 3gm8 h SER 403 N 0.00 0.53 -2.92 1.44 4.64 -1.88 -3.42 113.55 111.94 3gm8 h SER 403 Ca -0.00 -0.03 -0.56 0.00 -0.47 0.00 0.00 61.79 60.73 3gm8 h SER 403 Cb 0.16 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 3gm8 h SER 403 CO 0.01 0.43 0.86 -0.63 -0.87 0.00 0.00 176.83 176.62 3gm8 s ILE 404 N -5.43 4.04 -0.26 0.95 1.01 -0.96 -0.60 121.20 119.95 3gm8 s ILE 404 Ca -0.08 1.34 0.06 0.00 0.00 0.00 0.00 60.65 61.96 3gm8 s ILE 404 Cb 0.17 -3.86 -0.06 0.00 0.01 0.00 0.00 42.46 38.72 3gm8 s ILE 404 CO 0.75 -0.06 0.24 2.30 0.00 0.00 0.00 174.94 178.17 3gm8 n ILE 405 N 5.02 0.00 -3.62 2.92 -5.35 -0.41 -4.87 119.36 113.05 3gm8 n ILE 405 Ca 0.13 -0.35 -0.09 0.00 -0.27 0.00 0.00 62.75 62.17 3gm8 n ILE 405 Cb 0.45 0.97 -0.06 0.00 -1.74 0.00 0.00 39.64 39.26 3gm8 n ILE 405 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 3gm8 s MET 406 N -1.58 0.51 0.13 6.28 0.00 -1.23 -4.36 119.30 119.04 3gm8 s MET 406 Ca 0.02 0.43 0.03 0.00 0.00 0.00 0.00 55.69 56.17 3gm8 s MET 406 Cb 0.04 0.25 -0.04 0.00 0.00 0.00 0.00 34.83 35.08 3gm8 s MET 406 CO 0.24 -0.10 0.17 -1.58 0.00 0.00 0.00 175.02 173.75 3gm8 s TRP 407 N -0.20 3.30 -0.08 4.11 0.52 -0.64 -1.19 118.94 124.75 3gm8 s TRP 407 Ca 0.02 0.08 0.03 0.00 0.02 0.00 0.00 56.10 56.25 3gm8 s TRP 407 Cb -0.04 -1.61 0.01 0.00 -1.15 0.00 0.00 33.47 30.68 3gm8 s TRP 407 CO -0.04 0.53 -0.17 0.45 0.02 0.00 0.00 176.95 177.74 3gm8 s SER 408 N -2.88 2.30 0.00 2.95 0.15 -0.69 -1.28 113.70 114.24 3gm8 s SER 408 Ca 0.32 -0.40 0.24 0.00 0.70 0.00 0.00 55.95 56.81 3gm8 s SER 408 Cb -0.11 -1.04 0.63 0.00 -1.71 0.00 0.00 66.02 63.79 3gm8 s SER 408 CO 0.25 0.09 1.50 2.30 1.20 0.00 0.00 173.24 178.58 3gm8 n ILE 409 N 3.67 0.17 -3.73 6.45 -5.35 -0.47 -1.94 119.36 118.15 3gm8 n ILE 409 Ca -0.21 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 3gm8 n ILE 409 Cb 0.52 0.80 0.00 0.00 -1.74 0.00 0.00 39.64 39.22 3gm8 n ILE 409 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gm8 n GLY 410 N 1.27 -0.65 3.61 3.28 0.00 -1.26 -4.63 105.19 106.81 3gm8 n GLY 410 Ca 0.17 -1.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.16 3gm8 n GLY 410 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gm8 s ASN 411 N -4.00 -0.96 -0.75 1.61 2.47 -0.34 -0.72 114.94 112.25 3gm8 s ASN 411 Ca 0.00 1.39 -0.15 0.00 0.42 0.00 0.00 52.86 54.52 3gm8 s ASN 411 Cb 0.00 1.86 0.02 0.00 -1.45 0.00 0.00 41.25 41.68 3gm8 s ASN 411 CO 0.00 -0.20 0.46 -0.62 -3.72 0.00 0.00 177.10 173.02 3gm8 n GLU 412 N 4.91 -0.72 -2.69 0.43 1.02 -0.33 -4.19 120.64 119.07 3gm8 n GLU 412 Ca -0.14 0.16 -0.40 0.00 -0.02 0.00 0.00 57.16 56.75 3gm8 n GLU 412 Cb 0.53 -1.51 -0.06 0.00 -0.02 0.00 0.00 31.44 30.39 3gm8 n GLU 412 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3gm8 s VAL 413 N -3.42 3.96 -0.07 2.62 1.01 -1.26 -4.79 120.40 118.44 3gm8 s VAL 413 Ca 0.20 1.96 -0.01 0.00 0.00 0.00 0.00 61.98 64.14 3gm8 s VAL 413 Cb -0.11 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 3gm8 s VAL 413 CO 0.67 0.46 -0.00 0.42 0.00 0.00 0.00 175.10 176.65 3gm8 s THR 414 N -1.12 4.25 -1.11 3.92 -4.23 -1.26 -4.40 115.64 111.68 3gm8 s THR 414 Ca 0.42 -0.30 -0.04 0.00 -1.18 0.00 0.00 61.69 60.58 3gm8 s THR 414 Cb -0.27 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 70.78 3gm8 s THR 414 CO 0.34 0.58 0.57 0.61 -0.54 0.00 0.00 174.62 176.18 3gm8 n GLY 415 N 2.06 -0.19 3.77 3.99 0.00 -1.26 -4.32 105.19 109.23 3gm8 n GLY 415 Ca -0.18 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 3gm8 n GLY 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gm8 s ALA 416 N -3.08 3.12 -0.01 4.61 0.00 -1.26 -4.89 121.76 120.25 3gm8 s ALA 416 Ca 0.28 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.45 3gm8 s ALA 416 Cb -0.13 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 3gm8 s ALA 416 CO 0.35 -0.87 -0.12 0.95 0.00 0.00 0.00 175.76 176.08 3gm8 s THR 417 N -1.34 0.92 0.29 0.00 -4.23 -1.26 -5.03 115.64 104.99 3gm8 s THR 417 Ca 0.61 -0.49 0.02 0.00 -1.18 0.00 0.00 61.69 60.65 3gm8 s THR 417 Cb -0.36 -0.77 0.31 0.00 1.34 0.00 0.00 72.50 73.02 3gm8 s THR 417 CO 0.45 0.26 1.64 -0.65 -0.54 0.00 0.00 174.62 175.79 3gm8 h PRO 418 N 5.89 0.20 -0.45 3.99 0.11 -1.98 0.23 132.00 139.99 3gm8 h PRO 418 Ca -0.33 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.83 3gm8 h PRO 418 Cb 1.17 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 3gm8 h PRO 418 CO 0.49 0.13 0.16 1.49 -0.21 0.00 0.00 178.00 180.06 3gm8 h GLU 419 N 0.20 0.33 -0.27 1.05 4.81 -1.99 0.25 114.58 118.96 3gm8 h GLU 419 Ca 0.56 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.68 3gm8 h GLU 419 Cb 1.12 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 3gm8 h GLU 419 CO -0.66 0.22 -0.16 0.82 -0.73 0.00 0.00 179.01 178.50 3gm8 h ILE 420 N 0.34 1.30 -0.80 2.32 2.04 -1.46 -1.61 117.51 119.64 3gm8 h ILE 420 Ca 0.21 -1.26 0.04 0.00 1.00 0.00 0.00 64.86 64.85 3gm8 h ILE 420 Cb 0.20 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 3gm8 h ILE 420 CO -0.21 0.40 0.50 -0.61 0.00 0.00 0.00 178.15 178.23 3gm8 h GLN 421 N 0.32 0.93 -0.36 2.37 4.15 -0.31 -1.79 115.11 120.41 3gm8 h GLN 421 Ca 0.06 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 3gm8 h GLN 421 Cb 0.68 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 3gm8 h GLN 421 CO 0.04 0.61 -0.02 1.25 -1.93 0.00 0.00 178.83 178.79 3gm8 h HIS 422 N 0.96 0.70 -0.73 3.99 2.76 -0.93 -1.14 115.15 120.76 3gm8 h HIS 422 Ca 0.33 -0.13 0.13 0.00 -2.20 0.00 0.00 60.37 58.50 3gm8 h HIS 422 Cb 0.06 -0.18 -0.09 0.00 1.55 0.00 0.00 27.41 28.75 3gm8 h HIS 422 CO -0.03 0.76 0.30 -0.91 -1.30 0.00 0.00 177.93 176.74 3gm8 h ASN 423 N 0.45 0.30 0.08 3.26 2.35 -0.78 -0.53 115.58 120.71 3gm8 h ASN 423 Ca 0.10 0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3gm8 h ASN 423 Cb 0.49 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.93 3gm8 h ASN 423 CO 0.02 0.13 -0.04 -0.07 -1.65 0.00 0.00 177.43 175.82 3gm8 h LEU 424 N 0.46 -0.10 -1.09 1.61 3.38 -1.17 -2.47 115.31 115.93 3gm8 h LEU 424 Ca 0.39 -0.51 0.06 0.00 0.09 0.00 0.00 57.88 57.92 3gm8 h LEU 424 Cb 0.56 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 3gm8 h LEU 424 CO -0.37 0.54 0.61 0.58 0.09 0.00 0.00 178.44 179.89 3gm8 h VAL 425 N -0.82 1.09 -0.41 1.22 2.07 -1.14 -0.82 116.25 117.44 3gm8 h VAL 425 Ca -0.01 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.06 3gm8 h VAL 425 Cb 0.59 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3gm8 h VAL 425 CO 0.02 0.20 -0.03 0.28 0.02 0.00 0.00 177.57 178.06 3gm8 h SER 426 N 1.10 0.74 -0.38 0.57 0.02 -1.16 0.22 113.55 114.66 3gm8 h SER 426 Ca 0.40 -0.33 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 3gm8 h SER 426 Cb 0.16 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 3gm8 h SER 426 CO -0.15 0.89 0.19 0.25 -1.14 0.00 0.00 176.83 176.87 3gm8 h LEU 427 N 0.57 0.29 -0.78 5.07 5.85 -0.94 0.45 115.31 125.83 3gm8 h LEU 427 Ca 0.11 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.75 3gm8 h LEU 427 Cb 0.53 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3gm8 h LEU 427 CO 0.03 0.21 -0.19 -0.26 -0.34 0.00 0.00 178.44 177.89 3gm8 h PHE 428 N 0.39 0.80 -0.49 1.25 -1.00 -0.93 -1.50 116.94 115.47 3gm8 h PHE 428 Ca 0.16 -0.17 -0.11 0.00 2.81 0.00 0.00 57.97 60.66 3gm8 h PHE 428 Cb 0.06 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.41 3gm8 h PHE 428 CO -0.10 0.85 -0.13 0.45 -1.61 0.00 0.00 178.31 177.77 3gm8 h HIS 429 N 0.64 1.04 0.05 -0.55 3.86 -0.07 -0.10 115.15 120.01 3gm8 h HIS 429 Ca 0.10 -0.21 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3gm8 h HIS 429 Cb 0.67 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.88 3gm8 h HIS 429 CO 0.03 0.99 -0.02 0.37 0.86 0.00 0.00 177.93 180.16 3gm8 h GLN 430 N 0.82 -0.06 0.00 2.45 4.15 0.23 -2.87 115.11 119.84 3gm8 h GLN 430 Ca 0.13 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 3gm8 h GLN 430 Cb 0.67 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.37 3gm8 h GLN 430 CO 0.05 0.33 -0.13 -0.07 -1.93 0.00 0.00 178.83 177.08 3gm8 h LEU 431 N -0.47 0.00 -6.52 -2.39 3.38 -1.29 -3.39 115.31 104.62 3gm8 h LEU 431 Ca -0.01 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 3gm8 h LEU 431 Cb 0.42 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.82 3gm8 h LEU 431 CO 0.01 0.13 -0.76 -0.62 0.09 0.00 0.00 178.44 177.30 3gm8 s ASP 432 N -6.24 2.26 0.00 -0.43 2.15 -0.05 -4.98 116.67 109.37 3gm8 s ASP 432 Ca 0.06 -1.67 0.19 0.00 0.43 0.00 0.00 52.55 51.56 3gm8 s ASP 432 Cb 0.06 0.06 1.11 0.00 -0.30 0.00 0.00 42.92 43.85 3gm8 s ASP 432 CO 0.68 -0.32 1.56 -0.81 -0.17 0.00 0.00 175.17 176.11 3gm8 n PRO 433 N 4.45 0.53 -0.11 4.34 -0.05 -1.08 -3.87 135.00 139.21 3gm8 n PRO 433 Ca 0.07 0.03 0.11 0.00 -0.05 0.00 0.00 63.50 63.66 3gm8 n PRO 433 Cb 0.42 -1.50 0.16 0.00 -0.05 0.00 0.00 33.50 32.52 3gm8 n PRO 433 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 3gm8 n ASP 434 N -1.07 3.11 -3.90 3.54 8.00 -1.26 -4.97 116.55 120.01 3gm8 n ASP 434 Ca 0.13 -1.93 -0.11 0.00 0.71 0.00 0.00 54.79 53.60 3gm8 n ASP 434 Cb 0.09 -0.14 -0.11 0.00 -0.02 0.00 0.00 41.12 40.93 3gm8 n ASP 434 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3gm8 s ARG 435 N -1.54 0.34 0.69 -1.24 0.52 -1.25 -4.98 118.95 111.49 3gm8 s ARG 435 Ca 0.31 -0.35 -0.11 0.00 -0.52 0.00 0.00 55.73 55.06 3gm8 s ARG 435 Cb 0.20 0.14 0.01 0.00 0.52 0.00 0.00 34.95 35.81 3gm8 s ARG 435 CO 0.28 -0.07 1.08 -1.25 0.02 0.00 0.00 175.30 175.36 3gm8 s PRO 436 N -1.09 2.98 -0.09 3.54 0.04 -1.26 -4.87 135.00 134.25 3gm8 s PRO 436 Ca -0.12 0.58 0.04 0.00 0.04 0.00 0.00 61.00 61.54 3gm8 s PRO 436 Cb -0.07 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 3gm8 s PRO 436 CO 0.00 -0.98 -0.21 0.08 0.04 0.00 0.00 177.00 175.94 3gm8 s VAL 437 N -3.27 2.37 0.04 -0.36 1.01 -1.26 -1.62 120.40 117.30 3gm8 s VAL 437 Ca 0.58 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3gm8 s VAL 437 Cb -0.12 -1.92 -0.00 0.00 0.00 0.00 0.00 36.38 34.35 3gm8 s VAL 437 CO 0.53 0.56 0.01 1.07 0.00 0.00 0.00 175.10 177.26 3gm8 n THR 438 N 3.28 0.00 -3.62 3.92 5.66 -0.40 -1.60 114.28 121.51 3gm8 n THR 438 Ca -0.18 -0.20 -0.03 0.00 -3.05 0.00 0.00 64.05 60.59 3gm8 n THR 438 Cb 0.53 0.05 -0.06 0.00 -1.55 0.00 0.00 70.33 69.30 3gm8 n THR 438 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 3gm8 s GLN 439 N -2.14 0.48 0.22 1.09 0.74 -1.26 -1.37 119.66 117.42 3gm8 s GLN 439 Ca 0.01 0.88 -0.30 0.00 0.05 0.00 0.00 55.36 56.00 3gm8 s GLN 439 Cb 0.00 0.18 -0.09 0.00 1.10 0.00 0.00 33.01 34.19 3gm8 s GLN 439 CO 0.01 -0.11 1.35 0.20 -0.55 0.00 0.00 175.29 176.18 3gm8 s GLY 440 N 1.63 2.43 0.00 2.59 0.00 0.10 -3.66 107.32 110.40 3gm8 s GLY 440 Ca -0.09 1.17 0.00 0.00 0.00 0.00 0.00 44.72 45.81 3gm8 s GLY 440 CO -0.17 2.13 0.00 0.61 0.00 0.00 0.00 173.10 175.67 3gm8 n GLY 441 N 2.28 0.84 0.17 0.20 0.00 -0.68 -1.19 105.19 106.80 3gm8 n GLY 441 Ca 0.06 -0.70 0.02 0.00 0.00 0.00 0.00 46.02 45.40 3gm8 n GLY 441 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gm8 n THR 442 N -2.75 1.05 -1.64 2.61 -2.24 -0.82 -4.72 114.28 105.78 3gm8 n THR 442 Ca 0.00 -1.05 -0.46 0.00 -2.27 0.00 0.00 64.05 60.27 3gm8 n THR 442 Cb 0.48 0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 69.15 3gm8 n THR 442 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gm8 n ASP 443 N -0.29 2.20 -2.20 3.42 3.85 -1.23 -4.71 116.55 117.59 3gm8 n ASP 443 Ca 0.04 1.15 0.00 0.00 -0.71 0.00 0.00 54.79 55.27 3gm8 n ASP 443 Cb 0.31 -1.36 0.00 0.00 -1.35 0.00 0.00 41.12 38.73 3gm8 n ASP 443 CO 0.00 0.00 0.00 -2.65 -1.01 0.00 0.00 177.20 173.54 3gm8 n PRO 444 N 1.68 1.04 0.00 0.11 -0.02 -1.26 -5.08 135.00 131.47 3gm8 n PRO 444 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3gm8 n PRO 444 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.78 3gm8 n PRO 444 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3gm8 n ASN 457 N -1.03 0.00 -1.27 2.55 5.15 -1.26 -5.12 115.26 114.27 3gm8 n ASN 457 Ca 0.00 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 54.09 3gm8 n ASN 457 Cb 0.00 0.00 0.30 0.00 -0.53 0.00 0.00 39.78 39.55 3gm8 n ASN 457 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 3gm8 n TYR 458 N 0.00 0.88 -2.48 1.20 4.01 -1.26 -5.01 117.16 114.50 3gm8 n TYR 458 Ca 0.00 -0.44 -0.32 0.00 -0.16 0.00 0.00 57.90 56.98 3gm8 n TYR 458 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 38.99 3gm8 n TYR 458 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3gm8 s LEU 459 N -1.06 3.68 0.28 7.72 1.43 -1.26 -4.96 118.68 124.51 3gm8 s LEU 459 Ca 0.46 1.57 0.17 0.00 -1.03 0.00 0.00 54.13 55.30 3gm8 s LEU 459 Cb 0.24 -4.49 0.09 0.00 0.03 0.00 0.00 46.19 42.06 3gm8 s LEU 459 CO 0.32 -0.54 1.39 0.44 0.23 0.00 0.00 176.35 178.19 3gm8 h ASP 460 N 1.08 0.00 -2.93 2.29 3.32 -1.69 -3.46 116.42 115.04 3gm8 h ASP 460 Ca -0.47 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.40 3gm8 h ASP 460 Cb 1.18 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.43 3gm8 h ASP 460 CO 0.61 0.39 -0.47 -0.63 -1.72 0.00 0.00 179.24 177.43 3gm8 s ILE 461 N -3.02 -0.35 0.16 0.35 1.01 -1.06 -4.34 121.20 113.95 3gm8 s ILE 461 Ca 0.04 0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.60 3gm8 s ILE 461 Cb 0.07 -0.49 -0.08 0.00 0.01 0.00 0.00 42.46 41.98 3gm8 s ILE 461 CO 0.74 0.09 1.17 -0.63 0.00 0.00 0.00 174.94 176.31 3gm8 s ILE 462 N 2.13 3.72 -0.35 2.92 -1.09 0.72 -4.31 121.20 124.94 3gm8 s ILE 462 Ca -0.02 1.42 -0.08 0.00 -2.23 0.00 0.00 60.65 59.74 3gm8 s ILE 462 Cb -0.11 -3.91 0.04 0.00 -1.58 0.00 0.00 42.46 36.90 3gm8 s ILE 462 CO -0.10 0.21 0.13 -0.83 -1.23 0.00 0.00 174.94 173.13 3gm8 s GLY 463 N 0.20 1.86 -0.03 6.18 0.00 -1.24 -0.29 107.32 114.01 3gm8 s GLY 463 Ca 0.53 -1.73 -0.30 0.00 0.00 0.00 0.00 44.72 43.22 3gm8 s GLY 463 CO 0.35 0.79 1.11 -1.36 0.00 0.00 0.00 173.10 173.99 3gm8 s PHE 464 N 1.45 3.42 0.00 1.90 0.40 0.14 -1.69 117.98 123.60 3gm8 s PHE 464 Ca -0.01 1.42 0.00 0.00 -0.60 0.00 0.00 56.93 57.75 3gm8 s PHE 464 Cb -0.19 -3.31 0.00 0.00 0.51 0.00 0.00 43.02 40.03 3gm8 s PHE 464 CO 0.04 -0.79 0.00 0.09 0.70 0.00 0.00 175.22 175.26 3gm8 n ASN 465 N 4.57 0.00 -0.24 1.36 4.13 -1.26 -0.69 115.26 123.13 3gm8 n ASN 465 Ca 0.09 0.00 0.21 0.00 1.68 0.00 0.00 54.58 56.56 3gm8 n ASN 465 Cb 0.48 0.00 0.55 0.00 -1.54 0.00 0.00 39.78 39.27 3gm8 n ASN 465 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 3gm8 h GLY 466 N 0.00 0.73 2.00 7.41 0.00 -1.97 0.54 103.07 111.78 3gm8 h GLY 466 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 3gm8 h GLY 466 CO 0.00 -0.02 -0.07 3.43 0.00 0.00 0.00 176.54 179.88 3gm8 h ASN 467 N 0.32 0.00 0.00 0.19 2.35 -1.94 0.25 115.58 116.76 3gm8 h ASN 467 Ca 0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.22 3gm8 h ASN 467 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 3gm8 h ASN 467 CO -0.15 0.07 0.03 0.61 -1.65 0.00 0.00 177.43 176.34 3gm8 n GLY 468 N -0.89 -0.68 0.04 2.83 0.00 0.18 -1.90 105.19 104.78 3gm8 n GLY 468 Ca -0.02 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.23 3gm8 n GLY 468 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gm8 n GLU 469 N -1.90 0.22 -2.43 1.61 1.02 0.08 -4.64 120.64 114.60 3gm8 n GLU 469 Ca -0.01 0.05 -0.29 0.00 -0.02 0.00 0.00 57.16 56.89 3gm8 n GLU 469 Cb 0.05 -1.63 -0.01 0.00 -0.02 0.00 0.00 31.44 29.84 3gm8 n GLU 469 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3gm8 s GLU 470 N -3.13 3.63 0.27 3.49 2.02 -0.80 -4.70 118.70 119.48 3gm8 s GLU 470 Ca 0.07 0.47 -0.31 0.00 0.02 0.00 0.00 54.97 55.23 3gm8 s GLU 470 Cb 0.15 -2.27 -0.11 0.00 0.10 0.00 0.00 34.13 31.99 3gm8 s GLU 470 CO 0.72 -0.29 1.63 0.42 0.02 0.00 0.00 175.26 177.76 3gm8 s ILE 471 N -2.80 2.05 0.00 -1.63 1.01 -1.00 -2.75 121.20 116.09 3gm8 s ILE 471 Ca 0.51 0.04 0.00 0.00 0.00 0.00 0.00 60.65 61.21 3gm8 s ILE 471 Cb -0.10 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.34 3gm8 s ILE 471 CO 0.44 0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.00 3gm8 n GLY 472 N 2.68 1.91 0.07 6.18 0.00 -1.26 -4.89 105.19 109.87 3gm8 n GLY 472 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 3gm8 n GLY 472 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gm8 h GLU 473 N 1.64 0.06 -0.42 1.61 4.39 -1.82 -1.34 114.58 118.71 3gm8 h GLU 473 Ca 0.00 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.69 3gm8 h GLU 473 Cb 0.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 3gm8 h GLU 473 CO 0.00 0.54 0.23 -0.07 -1.16 0.00 0.00 179.01 178.55 3gm8 h LEU 474 N -0.41 0.36 -0.86 1.33 3.38 -1.82 -1.72 115.31 115.57 3gm8 h LEU 474 Ca 0.00 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3gm8 h LEU 474 Cb 0.53 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3gm8 h LEU 474 CO 0.01 0.25 0.56 -0.33 0.09 0.00 0.00 178.44 179.02 3gm8 h GLU 475 N 0.46 1.09 -0.10 1.13 3.07 -1.91 -1.59 114.58 116.73 3gm8 h GLU 475 Ca 0.17 -0.07 -0.18 0.00 -0.50 0.00 0.00 59.36 58.79 3gm8 h GLU 475 Cb 0.05 -0.25 -0.00 0.00 -0.84 0.00 0.00 28.75 27.71 3gm8 h GLU 475 CO -0.10 0.72 -0.69 1.25 -1.40 0.00 0.00 179.01 178.79 3gm8 h HIS 476 N 1.12 0.59 -0.77 4.33 6.17 -1.06 -1.33 115.15 124.21 3gm8 h HIS 476 Ca 0.33 -0.25 -0.03 0.00 0.71 0.00 0.00 60.37 61.13 3gm8 h HIS 476 Cb -0.07 -0.10 -0.03 0.00 2.52 0.00 0.00 27.41 29.73 3gm8 h HIS 476 CO -0.02 1.00 0.35 0.35 0.71 0.00 0.00 177.93 180.33 3gm8 h PHE 477 N 0.31 1.12 -0.21 5.26 3.57 -0.91 -2.82 116.94 123.25 3gm8 h PHE 477 Ca -0.02 -0.06 -0.14 0.00 3.53 0.00 0.00 57.97 61.27 3gm8 h PHE 477 Cb 1.26 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.66 3gm8 h PHE 477 CO 0.05 0.83 -0.43 1.25 -2.23 0.00 0.00 178.31 177.77 3gm8 h HIS 478 N 1.09 0.84 -0.75 0.41 2.76 -0.97 -0.91 115.15 117.61 3gm8 h HIS 478 Ca 0.26 -0.31 0.09 0.00 -2.20 0.00 0.00 60.37 58.22 3gm8 h HIS 478 Cb 0.14 -0.16 -0.07 0.00 1.55 0.00 0.00 27.41 28.87 3gm8 h HIS 478 CO 0.01 1.08 0.39 -0.22 -1.30 0.00 0.00 177.93 177.89 3gm8 h LYS 479 N 0.36 0.64 0.00 5.26 3.64 -1.31 -3.00 116.57 122.17 3gm8 h LYS 479 Ca 0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3gm8 h LYS 479 Cb 1.03 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3gm8 h LYS 479 CO 0.10 0.43 -0.91 0.09 -2.27 0.00 0.00 179.45 176.88 3gm8 n ASN 480 N -4.82 0.75 -3.05 4.20 3.02 -1.07 -4.40 115.26 109.89 3gm8 n ASN 480 Ca 0.12 0.18 -0.15 0.00 -0.03 0.00 0.00 54.58 54.69 3gm8 n ASN 480 Cb 0.27 0.44 -0.01 0.00 -0.61 0.00 0.00 39.78 39.88 3gm8 n ASN 480 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3gm8 n TYR 481 N -2.39 0.10 0.61 3.10 4.01 -0.36 -4.95 117.16 117.28 3gm8 n TYR 481 Ca 0.01 -3.47 0.07 0.00 -0.16 0.00 0.00 57.90 54.36 3gm8 n TYR 481 Cb 0.50 -0.23 0.35 0.00 -0.31 0.00 0.00 39.34 39.65 3gm8 n TYR 481 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3gm8 n PRO 482 N 0.20 0.10 0.00 -0.72 -0.04 -1.13 -2.75 135.00 130.66 3gm8 n PRO 482 Ca 0.20 0.20 0.09 0.00 -0.04 0.00 0.00 63.50 63.95 3gm8 n PRO 482 Cb 0.70 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.56 3gm8 n PRO 482 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3gm8 n THR 483 N -1.40 0.00 -2.63 0.52 -2.24 -1.26 -4.82 114.28 102.45 3gm8 n THR 483 Ca 0.05 -0.08 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 3gm8 n THR 483 Cb 0.15 1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 69.35 3gm8 n THR 483 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3gm8 s LEU 484 N -2.84 4.54 0.34 3.22 1.43 -1.11 -4.72 118.68 119.54 3gm8 s LEU 484 Ca 0.08 1.98 -0.26 0.00 -1.03 0.00 0.00 54.13 54.90 3gm8 s LEU 484 Cb 0.14 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.67 3gm8 s LEU 484 CO 0.75 -0.08 1.04 0.00 0.23 0.00 0.00 176.35 178.29 3gm8 s ALA 486 N -1.47 0.48 -0.01 0.00 0.00 -1.26 -0.20 121.76 119.31 3gm8 s ALA 486 Ca 0.51 -0.46 -0.08 0.00 0.00 0.00 0.00 51.96 51.93 3gm8 s ALA 486 Cb -0.25 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.84 3gm8 s ALA 486 CO 0.31 0.05 0.15 -1.50 0.00 0.00 0.00 175.76 174.77 3gm8 s ILE 487 N -0.69 0.07 -0.57 0.00 2.07 0.60 -2.02 121.20 120.66 3gm8 s ILE 487 Ca -0.04 -0.61 -0.22 0.00 -1.41 0.00 0.00 60.65 58.38 3gm8 s ILE 487 Cb -0.06 -0.42 0.06 0.00 0.13 0.00 0.00 42.46 42.17 3gm8 s ILE 487 CO 0.00 -0.33 0.83 0.00 -1.91 0.00 0.00 174.94 173.53 3gm8 s ALA 488 N -1.23 3.24 -0.65 1.50 0.00 0.11 0.29 121.76 125.01 3gm8 s ALA 488 Ca -0.13 -1.63 0.25 0.00 0.00 0.00 0.00 51.96 50.45 3gm8 s ALA 488 Cb -0.07 -3.63 0.62 0.00 0.00 0.00 0.00 23.12 20.04 3gm8 s ALA 488 CO 0.02 -2.36 1.63 1.79 0.00 0.00 0.00 175.76 176.83 3gm8 h THR 489 N 5.95 0.00 -0.78 0.00 1.35 -1.19 -2.11 112.91 116.13 3gm8 h THR 489 Ca -0.27 -0.57 -0.19 0.00 -0.55 0.00 0.00 66.41 64.82 3gm8 h THR 489 Cb 1.08 1.46 -0.17 0.00 -1.73 0.00 0.00 68.15 68.80 3gm8 h THR 489 CO 1.08 0.00 -0.52 1.21 -0.25 0.00 0.00 175.52 177.04 3gm8 n GLU 490 N -2.36 0.60 -3.72 4.72 2.13 -0.84 -4.57 120.64 116.60 3gm8 n GLU 490 Ca 0.05 -2.01 -0.13 0.00 0.66 0.00 0.00 57.16 55.73 3gm8 n GLU 490 Cb 0.45 -1.47 -0.13 0.00 0.27 0.00 0.00 31.44 30.56 3gm8 n GLU 490 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3gm8 s VAL 491 N 0.76 -0.07 0.49 6.31 1.01 -0.70 -3.42 120.40 124.80 3gm8 s VAL 491 Ca 0.31 0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.54 3gm8 s VAL 491 Cb 0.07 -0.37 0.04 0.00 0.00 0.00 0.00 36.38 36.12 3gm8 s VAL 491 CO -0.11 0.07 0.65 -2.16 0.00 0.00 0.00 175.10 173.55 3gm8 s PRO 492 N 1.34 2.55 -0.32 2.72 0.04 -1.26 -2.84 135.00 137.22 3gm8 s PRO 492 Ca -0.09 -1.47 -0.04 0.00 0.04 0.00 0.00 61.00 59.44 3gm8 s PRO 492 Cb -0.11 -2.66 0.05 0.00 0.04 0.00 0.00 34.50 31.82 3gm8 s PRO 492 CO -0.08 -0.55 0.06 -1.01 0.04 0.00 0.00 177.00 175.46 3gm8 s HIS 493 N -2.52 3.28 0.08 0.56 3.76 -1.26 -1.65 115.29 117.54 3gm8 s HIS 493 Ca 0.57 -1.68 0.07 0.00 -0.15 0.00 0.00 55.06 53.87 3gm8 s HIS 493 Cb -0.07 -2.25 -0.03 0.00 1.11 0.00 0.00 32.58 31.33 3gm8 s HIS 493 CO 0.35 -0.78 -0.18 0.95 -0.85 0.00 0.00 174.74 174.23 3gm8 s THR 494 N 1.32 1.46 -0.07 1.30 -4.23 -1.26 -3.61 115.64 110.55 3gm8 s THR 494 Ca -0.03 -1.39 0.05 0.00 -1.18 0.00 0.00 61.69 59.14 3gm8 s THR 494 Cb -0.20 -1.34 -0.01 0.00 1.34 0.00 0.00 72.50 72.29 3gm8 s THR 494 CO 0.01 -0.09 -0.22 -0.31 -0.54 0.00 0.00 174.62 173.47 3gm8 s TYR 495 N -1.14 2.53 -0.24 3.99 2.02 -0.84 -4.55 117.35 119.11 3gm8 s TYR 495 Ca 0.03 -0.63 -0.26 0.00 -0.37 0.00 0.00 57.07 55.84 3gm8 s TYR 495 Cb -0.10 -1.64 0.08 0.00 -0.40 0.00 0.00 41.96 39.91 3gm8 s TYR 495 CO 0.03 -0.16 0.80 1.14 -1.57 0.00 0.00 175.55 175.79 3gm8 s GLN 496 N -0.18 0.78 -0.08 -0.62 0.00 -0.20 -4.40 119.66 114.96 3gm8 s GLN 496 Ca -0.02 0.80 0.01 0.00 -0.00 0.00 0.00 55.36 56.14 3gm8 s GLN 496 Cb -0.14 0.38 -0.03 0.00 0.00 0.00 0.00 33.01 33.23 3gm8 s GLN 496 CO 0.04 -0.12 -0.10 0.99 0.00 0.00 0.00 175.29 176.10 3gm8 s THR 497 N 0.12 3.41 0.29 3.63 2.01 0.89 -4.61 115.64 121.38 3gm8 s THR 497 Ca -0.01 -0.58 -0.30 0.00 0.31 0.00 0.00 61.69 61.12 3gm8 s THR 497 Cb -0.04 -2.39 -0.13 0.00 0.01 0.00 0.00 72.50 69.95 3gm8 s THR 497 CO 0.00 0.58 1.37 -1.14 -0.69 0.00 0.00 174.62 174.74 3gm8 n ARG 498 N 2.54 2.15 -0.88 4.92 0.63 -1.26 -2.81 116.66 121.94 3gm8 n ARG 498 Ca -0.18 0.76 0.00 0.00 -0.92 0.00 0.00 57.85 57.51 3gm8 n ARG 498 Cb 0.53 -2.39 0.00 0.00 0.45 0.00 0.00 32.46 31.04 3gm8 n ARG 498 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3gm8 n GLY 499 N 1.48 0.23 3.67 5.14 0.00 -1.26 -4.89 105.19 109.57 3gm8 n GLY 499 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 3gm8 n GLY 499 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gm8 s VAL 500 N -1.58 4.35 -0.01 1.61 1.01 -1.12 -5.00 120.40 119.66 3gm8 s VAL 500 Ca 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.77 3gm8 s VAL 500 Cb 0.00 -2.84 -0.00 0.00 0.00 0.00 0.00 36.38 33.53 3gm8 s VAL 500 CO 0.00 0.59 -0.07 -0.31 0.00 0.00 0.00 175.10 175.31 3gm8 s TYR 501 N -0.73 0.61 -0.06 5.22 2.02 -1.26 -0.72 117.35 122.43 3gm8 s TYR 501 Ca 0.11 -0.12 0.02 0.00 -0.37 0.00 0.00 57.07 56.72 3gm8 s TYR 501 Cb -0.12 -0.41 0.01 0.00 -0.40 0.00 0.00 41.96 41.05 3gm8 s TYR 501 CO 0.02 -0.02 -0.13 1.03 -1.57 0.00 0.00 175.55 174.88 3gm8 s ARG 502 N -0.07 1.70 0.00 -0.62 0.52 -1.26 -4.73 118.95 114.48 3gm8 s ARG 502 Ca 0.01 -0.43 0.31 0.00 -0.52 0.00 0.00 55.73 55.10 3gm8 s ARG 502 Cb -0.04 -1.41 1.68 0.00 0.52 0.00 0.00 34.95 35.71 3gm8 s ARG 502 CO -0.00 0.05 2.13 -1.13 0.02 0.00 0.00 175.30 176.36 3gm8 n SER 503 N 3.74 0.00 -4.36 0.23 3.41 -1.26 -4.74 113.62 110.65 3gm8 n SER 503 Ca -0.22 -0.49 -0.30 0.00 -0.26 0.00 0.00 58.87 57.59 3gm8 n SER 503 Cb 0.52 -0.17 -0.15 0.00 -0.26 0.00 0.00 64.21 64.15 3gm8 n SER 503 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3gm8 s GLN 504 N -2.34 1.86 0.34 4.33 -0.21 -1.26 -0.99 119.66 121.39 3gm8 s GLN 504 Ca 0.36 -1.08 -0.29 0.00 0.02 0.00 0.00 55.36 54.38 3gm8 s GLN 504 Cb 0.21 -2.01 -0.11 0.00 1.00 0.00 0.00 33.01 32.10 3gm8 s GLN 504 CO 0.42 0.52 1.50 0.99 -2.12 0.00 0.00 175.29 176.60 3gm8 s THR 505 N -0.80 2.18 0.01 -0.19 2.01 -1.26 -4.95 115.64 112.63 3gm8 s THR 505 Ca 0.12 0.17 0.06 0.00 0.31 0.00 0.00 61.69 62.35 3gm8 s THR 505 Cb -0.10 -3.11 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 3gm8 s THR 505 CO 0.02 0.04 -0.19 -1.10 -0.69 0.00 0.00 174.62 172.70 3gm8 s GLN 506 N -1.43 2.18 -0.13 4.92 -0.21 -0.38 -5.03 119.66 119.58 3gm8 s GLN 506 Ca 0.56 -0.90 0.03 0.00 0.02 0.00 0.00 55.36 55.07 3gm8 s GLN 506 Cb -0.46 -2.20 0.01 0.00 1.00 0.00 0.00 33.01 31.36 3gm8 s GLN 506 CO 0.56 0.57 -0.21 -1.58 -2.12 0.00 0.00 175.29 172.51 3gm8 s TRP 507 N -0.81 2.47 0.22 0.91 0.52 -1.26 -2.27 118.94 118.73 3gm8 s TRP 507 Ca 0.13 -1.20 -0.12 0.00 0.02 0.00 0.00 56.10 54.92 3gm8 s TRP 507 Cb -0.10 -1.70 0.27 0.00 -1.15 0.00 0.00 33.47 30.79 3gm8 s TRP 507 CO 0.03 -0.55 1.62 -0.09 0.02 0.00 0.00 176.95 177.98 3gm8 h ARG 508 N 7.26 0.01 -0.71 4.98 2.43 -1.25 0.19 114.38 127.27 3gm8 h ARG 508 Ca -0.30 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 58.92 3gm8 h ARG 508 Cb 1.19 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.70 3gm8 h ARG 508 CO 0.53 0.00 0.47 -0.09 -1.51 0.00 0.00 179.97 179.37 3gm8 h ARG 509 N 0.01 0.74 0.10 0.20 9.65 -1.85 0.35 114.38 123.58 3gm8 h ARG 509 Ca 0.33 -0.04 -0.37 0.00 -1.10 0.00 0.00 59.98 58.80 3gm8 h ARG 509 Cb 0.51 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.90 3gm8 h ARG 509 CO -0.69 0.49 -2.07 -2.13 2.80 0.00 0.00 179.97 178.36 3gm8 n ARG 510 N -4.48 0.74 -0.02 0.20 0.63 -0.64 -4.50 116.66 108.60 3gm8 n ARG 510 Ca 0.10 0.25 0.04 0.00 -0.92 0.00 0.00 57.85 57.32 3gm8 n ARG 510 Cb 0.21 -1.68 -0.13 0.00 0.45 0.00 0.00 32.46 31.32 3gm8 n ARG 510 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3gm8 n ASP 511 N -3.46 1.27 -2.84 6.15 8.00 0.56 -4.73 116.55 121.51 3gm8 n ASP 511 Ca -0.34 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.05 3gm8 n ASP 511 Cb 1.04 1.53 0.06 0.00 -0.02 0.00 0.00 41.12 43.73 3gm8 n ASP 511 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 3gm8 n PHE 512 N -2.19 -1.89 -1.74 1.24 1.16 -0.48 -5.00 117.46 108.55 3gm8 n PHE 512 Ca -0.08 -2.56 -0.39 0.00 -1.87 0.00 0.00 57.45 52.54 3gm8 n PHE 512 Cb 0.56 1.03 0.03 0.00 -1.61 0.00 0.00 39.48 39.49 3gm8 n PHE 512 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 3gm8 n PRO 513 N 0.22 1.93 -1.20 3.97 -0.04 -0.01 -4.76 135.00 135.11 3gm8 n PRO 513 Ca 0.10 0.70 -0.30 0.00 -0.04 0.00 0.00 63.50 63.96 3gm8 n PRO 513 Cb 0.71 -2.57 0.14 0.00 -0.04 0.00 0.00 33.50 31.74 3gm8 n PRO 513 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gm8 s ALA 514 N -1.24 1.50 0.52 0.55 0.00 -1.26 -4.88 121.76 116.95 3gm8 s ALA 514 Ca 0.66 -0.08 0.42 0.00 0.00 0.00 0.00 51.96 52.96 3gm8 s ALA 514 Cb -0.44 -3.19 2.20 0.00 0.00 0.00 0.00 23.12 21.69 3gm8 s ALA 514 CO 0.53 -2.39 2.27 -1.35 0.00 0.00 0.00 175.76 174.83 3gm8 h PRO 515 N -1.58 0.00 -0.69 0.00 0.11 -2.01 -0.49 132.00 127.35 3gm8 h PRO 515 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3gm8 h PRO 515 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3gm8 h PRO 515 CO 0.55 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.67 3gm8 n TRP 516 N -3.02 1.14 -4.47 0.65 2.14 -1.26 -5.25 117.44 107.37 3gm8 n TRP 516 Ca -0.02 -0.41 -0.23 0.00 2.07 0.00 0.00 57.50 58.90 3gm8 n TRP 516 Cb 0.10 -0.28 -0.09 0.00 -0.81 0.00 0.00 31.31 30.23 3gm8 n TRP 516 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 3gm8 s GLU 517 N -1.94 1.76 0.00 -2.67 2.02 -0.20 -5.22 118.70 112.45 3gm8 s GLU 517 Ca 0.33 -2.02 0.00 0.00 0.02 0.00 0.00 54.97 53.29 3gm8 s GLU 517 Cb 0.23 -0.71 0.00 0.00 0.10 0.00 0.00 34.13 33.76 3gm8 s GLU 517 CO 0.12 -0.33 0.00 0.34 0.02 0.00 0.00 175.26 175.41 3gm8 n PHE 526 N -0.77 0.00 -0.22 1.61 7.35 -1.26 -4.96 117.46 119.20 3gm8 n PHE 526 Ca -0.04 0.00 0.21 0.00 -0.76 0.00 0.00 57.45 56.86 3gm8 n PHE 526 Cb 0.66 0.00 0.39 0.00 0.35 0.00 0.00 39.48 40.88 3gm8 n PHE 526 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 3gm8 n LYS 527 N 0.00 -0.04 0.08 -4.13 4.01 -1.26 0.53 118.16 117.35 3gm8 n LYS 527 Ca 0.00 0.88 0.12 0.00 -0.51 0.00 0.00 58.31 58.80 3gm8 n LYS 527 Cb 0.00 -1.60 0.46 0.00 -0.51 0.00 0.00 35.03 33.38 3gm8 n LYS 527 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 3gm8 n HIS 528 N -4.38 0.65 0.56 2.13 8.25 -1.26 -3.40 115.22 117.77 3gm8 n HIS 528 Ca 0.25 0.21 0.09 0.00 -0.26 0.00 0.00 57.72 58.01 3gm8 n HIS 528 Cb 0.86 -0.84 0.11 0.00 1.12 0.00 0.00 29.99 31.24 3gm8 n HIS 528 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3gm8 n ARG 529 N -2.05 1.76 -3.50 -0.41 1.74 0.19 -4.86 116.66 109.52 3gm8 n ARG 529 Ca 0.05 -1.74 -0.25 0.00 -0.77 0.00 0.00 57.85 55.14 3gm8 n ARG 529 Cb 0.35 -1.36 -0.02 0.00 -1.02 0.00 0.00 32.46 30.40 3gm8 n ARG 529 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3gm8 s VAL 530 N -1.42 5.13 -0.34 1.55 -7.23 -1.22 -2.39 120.40 114.49 3gm8 s VAL 530 Ca 0.24 -0.43 -0.24 0.00 -1.81 0.00 0.00 61.98 59.74 3gm8 s VAL 530 Cb 0.16 -3.82 0.01 0.00 0.56 0.00 0.00 36.38 33.29 3gm8 s VAL 530 CO 0.23 -0.42 0.85 -0.36 -0.31 0.00 0.00 175.10 175.09 3gm8 s PHE 531 N -2.15 3.14 0.48 2.82 0.08 -0.33 -4.85 117.98 117.16 3gm8 s PHE 531 Ca 0.39 0.75 -0.22 0.00 0.12 0.00 0.00 56.93 57.97 3gm8 s PHE 531 Cb -0.10 -3.43 -0.08 0.00 -0.57 0.00 0.00 43.02 38.83 3gm8 s PHE 531 CO 0.33 -0.71 1.02 -2.30 -0.10 0.00 0.00 175.22 173.46 3gm8 n PRO 532 N 6.48 1.27 -3.82 0.24 -0.02 -1.26 -4.63 135.00 133.26 3gm8 n PRO 532 Ca 0.05 0.46 -0.30 0.00 -2.02 0.00 0.00 63.50 61.70 3gm8 n PRO 532 Cb 0.48 -2.13 -0.14 0.00 -0.02 0.00 0.00 33.50 31.69 3gm8 n PRO 532 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gm8 s ILE 533 N -1.36 1.59 0.63 4.25 1.01 -1.26 -4.93 121.20 121.12 3gm8 s ILE 533 Ca 0.67 -2.22 -0.19 0.00 0.00 0.00 0.00 60.65 58.91 3gm8 s ILE 533 Cb -0.50 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 3gm8 s ILE 533 CO 0.54 -0.74 1.31 -2.16 0.00 0.00 0.00 174.94 173.89 3gm8 s PRO 534 N 0.82 2.67 0.51 2.79 0.04 -1.26 -4.72 135.00 135.85 3gm8 s PRO 534 Ca 0.13 2.11 -0.23 0.00 0.04 0.00 0.00 61.00 63.06 3gm8 s PRO 534 Cb -0.21 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 3gm8 s PRO 534 CO -0.10 -1.52 1.26 -0.25 0.04 0.00 0.00 177.00 176.43 3gm8 n ASP 535 N -1.72 2.32 0.07 6.66 8.00 -1.26 -4.77 116.55 125.86 3gm8 n ASP 535 Ca 0.15 1.00 -0.14 0.00 0.71 0.00 0.00 54.79 56.51 3gm8 n ASP 535 Cb 0.47 -1.52 -0.06 0.00 -0.02 0.00 0.00 41.12 40.00 3gm8 n ASP 535 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3gm8 h LEU 536 N 1.54 0.54 -8.59 0.64 3.38 -1.43 -3.46 115.31 107.92 3gm8 h LEU 536 Ca -0.49 -0.45 -0.34 0.00 0.09 0.00 0.00 57.88 56.68 3gm8 h LEU 536 Cb 1.31 -0.17 -0.16 0.00 0.09 0.00 0.00 40.66 41.73 3gm8 h LEU 536 CO 0.57 1.26 -0.73 0.42 0.09 0.00 0.00 178.44 180.06 3gm8 s THR 537 N -3.18 1.16 0.20 0.22 -4.23 -1.21 -5.01 115.64 103.60 3gm8 s THR 537 Ca -0.06 -1.89 -0.09 0.00 -1.18 0.00 0.00 61.69 58.47 3gm8 s THR 537 Cb 0.08 -1.66 0.14 0.00 1.34 0.00 0.00 72.50 72.40 3gm8 s THR 537 CO 0.87 -0.63 1.78 -0.08 -0.54 0.00 0.00 174.62 176.02 3gm8 h GLU 538 N 3.12 1.10 -6.69 3.99 4.81 -1.93 -3.43 114.58 115.56 3gm8 h GLU 538 Ca -0.37 -0.18 -0.68 0.00 -0.13 0.00 0.00 59.36 58.00 3gm8 h GLU 538 Cb 1.19 -0.19 -0.20 0.00 0.63 0.00 0.00 28.75 30.18 3gm8 h GLU 538 CO 0.58 0.88 -0.81 0.21 -0.73 0.00 0.00 179.01 179.14 3gm8 s LYS 539 N -5.63 1.85 0.25 1.92 2.20 -1.26 -5.10 119.74 113.97 3gm8 s LYS 539 Ca -0.13 -1.13 -0.30 0.00 -0.36 0.00 0.00 55.97 54.06 3gm8 s LYS 539 Cb 0.15 -2.12 -0.10 0.00 -1.51 0.00 0.00 37.83 34.25 3gm8 s LYS 539 CO 0.82 0.50 1.32 -2.00 -0.36 0.00 0.00 175.35 175.63 3gm8 s GLU 540 N -1.91 4.37 0.19 4.03 2.56 -1.26 -4.95 118.70 121.72 3gm8 s GLU 540 Ca 0.17 2.14 0.23 0.00 0.00 0.00 0.00 54.97 57.50 3gm8 s GLU 540 Cb -0.10 -3.14 0.02 0.00 2.00 0.00 0.00 34.13 32.91 3gm8 s GLU 540 CO 0.08 -0.24 1.06 0.00 -0.56 0.00 0.00 175.26 175.60 3gm8 n PHE 542 N -2.60 2.86 0.29 0.00 3.72 -1.26 -4.90 117.46 115.57 3gm8 n PHE 542 Ca 0.00 -3.95 0.17 0.00 -0.05 0.00 0.00 57.45 53.62 3gm8 n PHE 542 Cb 0.54 -0.47 0.84 0.00 -0.94 0.00 0.00 39.48 39.44 3gm8 n PHE 542 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3gm8 h PRO 543 N 3.12 0.00 0.00 -1.08 0.13 -1.94 -0.46 132.00 131.76 3gm8 h PRO 543 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3gm8 h PRO 543 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 3gm8 h PRO 543 CO 0.72 0.06 0.00 1.05 -0.23 0.00 0.00 178.00 179.60 3gm8 h GLU 544 N 0.00 0.00 0.00 0.86 9.09 -1.97 -2.19 114.58 120.36 3gm8 h GLU 544 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3gm8 h GLU 544 Cb 0.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.41 3gm8 h GLU 544 CO 0.01 0.00 0.00 0.93 0.05 0.00 0.00 179.01 180.00 3gm8 h GLU 545 N 0.00 0.00 0.00 1.06 4.39 -1.41 -3.19 114.58 115.43 3gm8 h GLU 545 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3gm8 h GLU 545 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3gm8 h GLU 545 CO 0.00 0.00 0.09 0.43 -1.16 0.00 0.00 179.01 178.37 3gm8 n SER 546 N -2.70 0.05 -0.19 1.42 7.64 -0.83 -0.74 113.62 118.27 3gm8 n SER 546 Ca 0.03 0.44 0.13 0.00 1.01 0.00 0.00 58.87 60.48 3gm8 n SER 546 Cb 0.36 -0.44 0.41 0.00 -1.01 0.00 0.00 64.21 63.53 3gm8 n SER 546 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3gm8 n ASP 547 N -1.49 0.86 -3.45 6.43 2.03 -1.21 -4.24 116.55 115.48 3gm8 n ASP 547 Ca -0.00 -0.75 -0.27 0.00 0.52 0.00 0.00 54.79 54.29 3gm8 n ASP 547 Cb 0.09 0.10 -0.08 0.00 -0.72 0.00 0.00 41.12 40.51 3gm8 n ASP 547 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 3gm8 n TYR 548 N -0.80 3.57 0.35 -0.67 4.01 0.08 -4.94 117.16 118.76 3gm8 n TYR 548 Ca 0.12 -4.16 0.04 0.00 -0.16 0.00 0.00 57.90 53.73 3gm8 n TYR 548 Cb 0.33 -0.56 0.19 0.00 -0.31 0.00 0.00 39.34 39.00 3gm8 n TYR 548 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3gm8 n PRO 549 N 0.94 0.08 -0.54 -0.72 -0.04 -1.26 -2.09 135.00 131.37 3gm8 n PRO 549 Ca 0.29 0.25 0.10 0.00 -0.04 0.00 0.00 63.50 64.10 3gm8 n PRO 549 Cb 0.41 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.71 3gm8 n PRO 549 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3gm8 n TYR 550 N -1.34 1.33 -5.08 0.54 4.01 -1.26 -4.87 117.16 110.49 3gm8 n TYR 550 Ca 0.03 -0.55 -0.28 0.00 -0.16 0.00 0.00 57.90 56.94 3gm8 n TYR 550 Cb 0.07 -0.19 -0.16 0.00 -0.31 0.00 0.00 39.34 38.76 3gm8 n TYR 550 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3gm8 s TYR 551 N -1.67 1.97 0.18 -0.72 2.02 -0.89 -4.94 117.35 113.31 3gm8 s TYR 551 Ca 0.49 -0.37 0.09 0.00 -0.37 0.00 0.00 57.07 56.90 3gm8 s TYR 551 Cb 0.30 -1.27 -0.04 0.00 -0.40 0.00 0.00 41.96 40.55 3gm8 s TYR 551 CO 0.26 -0.03 -0.07 -0.65 -1.57 0.00 0.00 175.55 173.49 3gm8 s GLN 552 N -0.54 2.16 0.40 -0.62 1.11 -1.26 -4.94 119.66 115.98 3gm8 s GLN 552 Ca 0.08 -1.24 -0.27 0.00 0.01 0.00 0.00 55.36 53.95 3gm8 s GLN 552 Cb -0.08 -2.21 -0.09 0.00 -1.01 0.00 0.00 33.01 29.61 3gm8 s GLN 552 CO -0.01 0.43 1.38 0.45 0.01 0.00 0.00 175.29 177.56 3gm8 s SER 553 N -2.92 6.24 0.00 5.90 0.15 -1.26 -0.08 113.70 121.74 3gm8 s SER 553 Ca 0.26 2.83 0.19 0.00 0.70 0.00 0.00 55.95 59.93 3gm8 s SER 553 Cb -0.09 -2.65 0.54 0.00 -1.71 0.00 0.00 66.02 62.11 3gm8 s SER 553 CO 0.16 -0.92 1.44 -1.20 1.20 0.00 0.00 173.24 173.92 3gm8 n SER 554 N 0.19 2.56 -4.13 5.45 7.64 0.10 -4.31 113.62 121.13 3gm8 n SER 554 Ca 0.03 -1.90 -0.30 0.00 1.01 0.00 0.00 58.87 57.71 3gm8 n SER 554 Cb 0.42 -0.24 0.21 0.00 -1.01 0.00 0.00 64.21 63.58 3gm8 n SER 554 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3gm8 s TYR 555 N -1.52 1.22 -1.30 1.43 2.02 -1.26 -4.54 117.35 113.40 3gm8 s TYR 555 Ca 0.35 0.56 -0.06 0.00 -0.37 0.00 0.00 57.07 57.54 3gm8 s TYR 555 Cb 0.19 -3.57 0.05 0.00 -0.40 0.00 0.00 41.96 38.23 3gm8 s TYR 555 CO 0.26 -3.28 2.60 -3.47 -1.57 0.00 0.00 175.55 170.09 3gm8 n ASP 556 N -4.33 8.05 -0.36 2.29 2.03 -1.26 -4.38 116.55 118.59 3gm8 n ASP 556 Ca 0.12 -2.98 0.00 0.00 0.52 0.00 0.00 54.79 52.44 3gm8 n ASP 556 Cb 0.59 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.59 3gm8 n ASP 556 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3gm8 n ASN 557 N 2.15 0.00 -4.02 1.67 6.94 -1.26 -4.82 115.26 115.92 3gm8 n ASN 557 Ca 0.65 -1.39 -0.31 0.00 -0.02 0.00 0.00 54.58 53.51 3gm8 n ASN 557 Cb 0.28 -0.08 -0.15 0.00 -2.36 0.00 0.00 39.78 37.47 3gm8 n ASN 557 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gm8 s ALA 558 N 0.00 2.34 0.25 -2.53 0.00 -1.26 -1.25 121.76 119.32 3gm8 s ALA 558 Ca 0.00 -1.62 -0.04 0.00 0.00 0.00 0.00 51.96 50.29 3gm8 s ALA 558 Cb 0.00 -1.54 0.02 0.00 0.00 0.00 0.00 23.12 21.60 3gm8 s ALA 558 CO 0.00 -1.21 0.41 0.45 0.00 0.00 0.00 175.76 175.42 3gm8 n SER 559 N 4.52 -1.17 -0.12 0.00 2.88 -0.96 -1.99 113.62 116.77 3gm8 n SER 559 Ca -0.13 -2.24 -0.25 0.00 -1.33 0.00 0.00 58.87 54.93 3gm8 n SER 559 Cb 0.43 2.07 -0.10 0.00 -0.75 0.00 0.00 64.21 65.86 3gm8 n SER 559 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3gm8 n VAL 560 N -0.39 1.38 0.00 2.46 0.31 -1.24 -0.80 118.33 120.05 3gm8 n VAL 560 Ca -0.02 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 3gm8 n VAL 560 Cb 0.41 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 3gm8 n VAL 560 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3gm8 n ARG 561 N -3.91 4.50 -3.57 5.55 1.74 -1.26 -4.72 116.66 114.99 3gm8 n ARG 561 Ca -0.48 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.44 3gm8 n ARG 561 Cb 0.88 -0.52 -0.07 0.00 -1.02 0.00 0.00 32.46 31.73 3gm8 n ARG 561 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3gm8 s ILE 562 N -0.29 0.00 0.81 0.55 2.07 -1.26 -1.19 121.20 121.88 3gm8 s ILE 562 Ca 0.00 -0.03 -0.11 0.00 -1.41 0.00 0.00 60.65 59.11 3gm8 s ILE 562 Cb 0.00 -0.96 0.08 0.00 0.13 0.00 0.00 42.46 41.70 3gm8 s ILE 562 CO 0.00 -0.01 1.09 -0.94 -1.91 0.00 0.00 174.94 173.17 3gm8 s SER 563 N -0.69 4.21 0.12 4.50 1.04 -1.26 -4.82 113.70 116.79 3gm8 s SER 563 Ca -0.08 1.75 -0.19 0.00 0.48 0.00 0.00 55.95 57.92 3gm8 s SER 563 Cb -0.02 -2.44 -0.05 0.00 0.10 0.00 0.00 66.02 63.61 3gm8 s SER 563 CO 0.07 -2.21 1.71 0.00 0.98 0.00 0.00 173.24 173.78 3gm8 h ALA 564 N -1.25 0.35 0.08 5.32 0.00 -1.96 -0.93 119.26 120.86 3gm8 h ALA 564 Ca -0.45 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 3gm8 h ALA 564 Cb 1.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3gm8 h ALA 564 CO 0.52 -0.11 -0.04 -0.09 0.00 0.00 0.00 179.25 179.53 3gm8 h ARG 565 N 0.32 -0.11 -0.73 0.00 2.43 -1.94 -2.68 114.38 111.67 3gm8 h ARG 565 Ca 0.09 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3gm8 h ARG 565 Cb 0.09 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 3gm8 h ARG 565 CO -0.01 0.03 0.47 -0.22 -1.51 0.00 0.00 179.97 178.72 3gm8 h LYS 566 N -0.22 0.97 -0.27 0.20 1.63 -1.93 -0.97 116.57 115.99 3gm8 h LYS 566 Ca -0.01 -0.07 0.06 0.00 -0.85 0.00 0.00 60.65 59.79 3gm8 h LYS 566 Cb 0.18 -0.21 -0.07 0.00 -0.60 0.00 0.00 32.23 31.53 3gm8 h LYS 566 CO 0.02 0.65 -0.20 1.03 -3.45 0.00 0.00 179.45 177.50 3gm8 h SER 567 N 0.99 -0.65 0.15 4.20 0.87 -1.08 -1.35 113.55 116.69 3gm8 h SER 567 Ca 0.26 0.13 -0.11 0.00 -1.23 0.00 0.00 61.79 60.84 3gm8 h SER 567 Cb -0.09 0.32 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3gm8 h SER 567 CO -0.06 -0.24 -0.41 -0.25 -0.53 0.00 0.00 176.83 175.35 3gm8 h TRP 568 N -0.18 0.39 -0.58 2.24 2.91 -1.09 0.00 115.95 119.63 3gm8 h TRP 568 Ca 0.15 -0.11 -0.05 0.00 1.13 0.00 0.00 58.89 60.01 3gm8 h TRP 568 Cb 0.41 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 28.95 3gm8 h TRP 568 CO -0.37 0.69 0.17 1.96 -1.03 0.00 0.00 178.44 179.85 3gm8 h GLN 569 N 0.28 0.91 -0.48 2.65 4.20 -0.70 -2.04 115.11 119.92 3gm8 h GLN 569 Ca 0.03 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 3gm8 h GLN 569 Cb 0.84 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 3gm8 h GLN 569 CO 0.07 0.83 0.14 0.00 -0.67 0.00 0.00 178.83 179.20 3gm8 h ARG 570 N 0.83 0.75 -0.71 1.46 3.08 -0.75 -1.04 114.38 117.99 3gm8 h ARG 570 Ca 0.19 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3gm8 h ARG 570 Cb 0.31 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3gm8 h ARG 570 CO -0.00 0.72 0.39 1.15 -1.07 0.00 0.00 179.97 181.15 3gm8 h THR 571 N 0.64 1.21 0.00 2.04 2.02 -0.85 -1.05 112.91 116.93 3gm8 h THR 571 Ca 0.15 -0.54 -0.11 0.00 0.77 0.00 0.00 66.41 66.69 3gm8 h THR 571 Cb 0.28 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 3gm8 h THR 571 CO -0.00 0.24 -0.52 0.00 0.37 0.00 0.00 175.52 175.60 3gm8 h SER 573 N 0.00 0.00 -3.88 0.00 4.64 0.14 -3.40 113.55 111.06 3gm8 h SER 573 Ca -0.01 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.60 3gm8 h SER 573 Cb 1.05 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.81 3gm8 h SER 573 CO 0.07 0.00 -0.35 -0.36 -0.87 0.00 0.00 176.83 175.32 3gm8 s PHE 574 N -3.40 3.48 0.58 4.77 0.08 -1.03 -4.95 117.98 117.51 3gm8 s PHE 574 Ca 0.04 -2.48 0.28 0.00 0.12 0.00 0.00 56.93 54.90 3gm8 s PHE 574 Cb 0.09 -3.31 1.77 0.00 -0.57 0.00 0.00 43.02 41.00 3gm8 s PHE 574 CO 0.54 -0.90 2.24 -1.35 -0.10 0.00 0.00 175.22 175.65 3gm8 h PRO 575 N 7.47 0.00 0.00 0.24 0.11 -1.82 -0.25 132.00 137.75 3gm8 h PRO 575 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3gm8 h PRO 575 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3gm8 h PRO 575 CO 0.73 0.00 0.00 0.11 -0.21 0.00 0.00 178.00 178.63 3gm8 h TRP 576 N 0.00 0.00 -3.68 0.65 5.08 -1.79 -2.98 115.95 113.23 3gm8 h TRP 576 Ca 0.00 0.00 -0.65 0.00 1.08 0.00 0.00 58.89 59.32 3gm8 h TRP 576 Cb 0.02 0.00 -0.17 0.00 -3.00 0.00 0.00 29.16 26.02 3gm8 h TRP 576 CO 0.00 0.00 -0.27 -1.17 -1.28 0.00 0.00 178.44 175.72 3gm8 s LEU 577 N -4.83 4.34 0.57 0.11 2.96 -0.11 -4.28 118.68 117.44 3gm8 s LEU 577 Ca 0.05 -0.11 0.27 0.00 -0.22 0.00 0.00 54.13 54.12 3gm8 s LEU 577 Cb 0.10 -2.36 1.69 0.00 0.50 0.00 0.00 46.19 46.11 3gm8 s LEU 577 CO 0.47 -0.31 2.23 0.24 -1.32 0.00 0.00 176.35 177.66 3gm8 h MET 578 N 8.41 0.00 0.00 1.98 2.86 -1.67 -3.47 114.93 123.04 3gm8 h MET 578 Ca -0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 3gm8 h MET 578 Cb 1.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.81 3gm8 h MET 578 CO 0.68 0.01 0.00 0.41 1.06 0.00 0.00 176.91 179.07 3gm8 n GLY 579 N -1.34 -0.32 2.99 8.32 0.00 -1.26 -1.86 105.19 111.72 3gm8 n GLY 579 Ca -0.03 -1.56 -0.10 0.00 0.00 0.00 0.00 46.02 44.34 3gm8 n GLY 579 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gm8 s GLU 580 N -1.96 0.31 -0.35 1.61 -1.05 -1.01 -0.71 118.70 115.53 3gm8 s GLU 580 Ca 0.00 -0.49 -0.00 0.00 -0.15 0.00 0.00 54.97 54.33 3gm8 s GLU 580 Cb 0.00 0.11 0.09 0.00 -0.44 0.00 0.00 34.13 33.89 3gm8 s GLU 580 CO 0.00 -0.06 0.08 -0.06 0.95 0.00 0.00 175.26 176.17 3gm8 s PHE 581 N -1.26 3.51 0.50 4.83 0.08 -0.79 -1.01 117.98 123.84 3gm8 s PHE 581 Ca -0.14 -2.40 -0.23 0.00 0.12 0.00 0.00 56.93 54.28 3gm8 s PHE 581 Cb -0.08 -2.70 -0.06 0.00 -0.57 0.00 0.00 43.02 39.60 3gm8 s PHE 581 CO -0.00 -0.91 1.37 -0.98 -0.10 0.00 0.00 175.22 174.59 3gm8 s ARG 582 N 1.11 3.41 0.01 0.44 1.70 -0.87 -1.71 118.95 123.03 3gm8 s ARG 582 Ca 0.03 2.26 -0.30 0.00 -0.47 0.00 0.00 55.73 57.25 3gm8 s ARG 582 Cb -0.21 -2.43 -0.06 0.00 -0.57 0.00 0.00 34.95 31.69 3gm8 s ARG 582 CO -0.04 -0.99 1.38 -0.46 -1.08 0.00 0.00 175.30 174.11 3gm8 s TRP 583 N -1.28 2.94 0.00 5.89 -0.11 -0.66 -0.80 118.94 124.92 3gm8 s TRP 583 Ca 0.67 0.88 0.00 0.00 1.22 0.00 0.00 56.10 58.87 3gm8 s TRP 583 Cb -0.41 -3.64 0.00 0.00 -1.50 0.00 0.00 33.47 27.93 3gm8 s TRP 583 CO 0.50 -2.31 0.00 0.41 -4.62 0.00 0.00 176.95 170.92 3gm8 n GLY 584 N 3.59 -0.66 0.00 5.86 0.00 -1.26 -4.59 105.19 108.13 3gm8 n GLY 584 Ca 0.13 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3gm8 n GLY 584 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gm8 n SER 585 N 0.00 0.00 -4.77 1.61 3.41 -1.04 -3.35 113.62 109.49 3gm8 n SER 585 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 3gm8 n SER 585 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3gm8 n SER 585 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3gm8 s PHE 586 N 0.00 3.88 0.48 7.33 0.08 -1.26 -0.98 117.98 127.51 3gm8 s PHE 586 Ca 0.00 1.73 -0.23 0.00 0.12 0.00 0.00 56.93 58.54 3gm8 s PHE 586 Cb 0.00 -2.84 -0.08 0.00 -0.57 0.00 0.00 43.02 39.53 3gm8 s PHE 586 CO 0.00 0.44 1.23 -0.25 -0.10 0.00 0.00 175.22 176.54 3gm8 n ASP 587 N 1.33 2.24 -4.16 1.36 8.00 0.34 -4.51 116.55 121.15 3gm8 n ASP 587 Ca -0.03 1.02 -0.18 0.00 0.71 0.00 0.00 54.79 56.31 3gm8 n ASP 587 Cb 0.49 -1.49 -0.12 0.00 -0.02 0.00 0.00 41.12 39.97 3gm8 n ASP 587 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3gm8 s TYR 588 N -1.27 1.18 0.39 1.24 -0.85 -1.26 -4.27 117.35 112.50 3gm8 s TYR 588 Ca 0.66 -0.47 -0.27 0.00 -0.52 0.00 0.00 57.07 56.47 3gm8 s TYR 588 Cb -0.47 -0.66 -0.10 0.00 0.38 0.00 0.00 41.96 41.11 3gm8 s TYR 588 CO 0.54 0.05 1.37 -0.51 -1.52 0.00 0.00 175.55 175.48 3gm8 s LEU 589 N -1.75 4.27 0.00 -3.49 1.43 -1.26 -4.07 118.68 113.81 3gm8 s LEU 589 Ca -0.02 2.81 0.00 0.00 -1.03 0.00 0.00 54.13 55.89 3gm8 s LEU 589 Cb -0.10 -3.80 0.00 0.00 0.03 0.00 0.00 46.19 42.33 3gm8 s LEU 589 CO 0.02 -0.85 0.00 0.61 0.23 0.00 0.00 176.35 176.36 3gm8 n GLY 590 N 0.63 -1.78 3.98 -3.19 0.00 -0.67 -1.88 105.19 102.28 3gm8 n GLY 590 Ca 0.02 -1.90 -0.27 0.00 0.00 0.00 0.00 46.02 43.87 3gm8 n GLY 590 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3gm8 n GLU 591 N 0.00 -3.58 -3.67 1.61 2.13 -0.37 -3.52 120.64 113.23 3gm8 n GLU 591 Ca 0.00 0.43 -0.12 0.00 0.66 0.00 0.00 57.16 58.14 3gm8 n GLU 591 Cb 0.00 -4.76 -0.09 0.00 0.27 0.00 0.00 31.44 26.86 3gm8 n GLU 591 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gm8 s ALA 592 N -3.76 -1.45 0.46 4.31 0.00 -0.15 -4.46 121.76 116.72 3gm8 s ALA 592 Ca 0.19 1.78 -0.24 0.00 0.00 0.00 0.00 51.96 53.69 3gm8 s ALA 592 Cb -0.10 -1.05 -0.07 0.00 0.00 0.00 0.00 23.12 21.90 3gm8 s ALA 592 CO 0.89 -0.29 1.33 -1.21 0.00 0.00 0.00 175.76 176.47 3gm8 s GLU 593 N 0.81 3.64 0.29 0.00 2.02 -1.26 -4.55 118.70 119.65 3gm8 s GLU 593 Ca -0.04 2.18 -0.29 0.00 0.02 0.00 0.00 54.97 56.84 3gm8 s GLU 593 Cb -0.05 -2.54 -0.13 0.00 0.10 0.00 0.00 34.13 31.51 3gm8 s GLU 593 CO -0.06 -0.77 1.29 1.87 0.02 0.00 0.00 175.26 177.61 3gm8 n TRP 594 N -0.36 2.06 -0.44 1.61 -0.00 -1.26 -1.04 117.44 118.01 3gm8 n TRP 594 Ca 0.06 0.53 0.06 0.00 -0.00 0.00 0.00 57.50 58.15 3gm8 n TRP 594 Cb 0.44 -2.41 0.32 0.00 -0.00 0.00 0.00 31.31 29.66 3gm8 n TRP 594 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3gm8 n PRO 595 N 1.21 3.92 -2.49 5.87 -0.04 -1.26 -5.12 135.00 137.09 3gm8 n PRO 595 Ca 0.08 -2.48 -0.42 0.00 -0.04 0.00 0.00 63.50 60.64 3gm8 n PRO 595 Cb 0.33 -2.04 -0.03 0.00 -0.04 0.00 0.00 33.50 31.73 3gm8 n PRO 595 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3gm8 s GLN 596 N -2.26 4.45 0.29 0.54 -0.21 -0.20 -4.54 119.66 117.71 3gm8 s GLN 596 Ca 0.43 1.68 0.23 0.00 0.02 0.00 0.00 55.36 57.72 3gm8 s GLN 596 Cb 0.32 -3.40 0.22 0.00 1.00 0.00 0.00 33.01 31.14 3gm8 s GLN 596 CO 0.15 -0.24 1.34 0.07 -2.12 0.00 0.00 175.29 174.48 3gm8 h ARG 597 N 6.90 0.00 -3.52 2.91 0.11 -0.77 -3.42 114.38 116.59 3gm8 h ARG 597 Ca -0.40 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.63 3gm8 h ARG 597 Cb 1.21 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 32.18 3gm8 h ARG 597 CO 0.81 0.00 -0.10 0.00 0.10 0.00 0.00 179.97 180.78 3gm8 s GLY 599 N -2.91 1.70 -0.46 0.00 0.00 -1.23 -4.80 107.32 99.61 3gm8 s GLY 599 Ca 0.13 -1.04 0.02 0.00 0.00 0.00 0.00 44.72 43.83 3gm8 s GLY 599 CO -0.01 -0.51 1.89 0.70 0.00 0.00 0.00 173.10 175.17 3gm8 n ASN 600 N -3.18 4.69 0.08 1.64 3.02 -1.26 -4.68 115.26 115.57 3gm8 n ASN 600 Ca 0.11 -3.52 -0.10 0.00 -0.03 0.00 0.00 54.58 51.03 3gm8 n ASN 600 Cb 0.60 -0.86 -0.10 0.00 -0.61 0.00 0.00 39.78 38.81 3gm8 n ASN 600 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 3gm8 h PHE 601 N 1.18 0.23 -3.52 3.10 0.04 -1.81 -0.52 116.94 115.63 3gm8 h PHE 601 Ca 0.58 -0.16 -0.49 0.00 2.80 0.00 0.00 57.97 60.70 3gm8 h PHE 601 Cb 2.22 -0.01 0.02 0.00 2.20 0.00 0.00 35.95 40.38 3gm8 h PHE 601 CO 1.43 1.09 0.07 0.20 -0.60 0.00 0.00 178.31 180.49 3gm8 s GLY 602 N -4.65 1.66 0.00 -1.45 0.00 -1.26 -4.31 107.32 97.30 3gm8 s GLY 602 Ca -0.01 -0.45 0.26 0.00 0.00 0.00 0.00 44.72 44.52 3gm8 s GLY 602 CO 0.84 -0.29 1.50 0.29 0.00 0.00 0.00 173.10 175.45 3gm8 n ILE 603 N -1.80 0.00 -4.61 0.90 -5.35 -0.15 -4.64 119.36 103.70 3gm8 n ILE 603 Ca 0.01 -0.09 -0.23 0.00 -0.27 0.00 0.00 62.75 62.16 3gm8 n ILE 603 Cb 0.55 0.38 -0.14 0.00 -1.74 0.00 0.00 39.64 38.68 3gm8 n ILE 603 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3gm8 s ILE 604 N -2.66 1.33 0.88 7.28 1.01 -0.83 -1.09 121.20 127.12 3gm8 s ILE 604 Ca 0.20 -0.92 -0.12 0.00 0.00 0.00 0.00 60.65 59.81 3gm8 s ILE 604 Cb 0.19 -1.15 0.16 0.00 0.01 0.00 0.00 42.46 41.67 3gm8 s ILE 604 CO 0.58 0.21 1.22 1.51 0.00 0.00 0.00 174.94 178.47 3gm8 s ASP 605 N -0.82 3.63 0.10 3.58 1.47 -0.56 -0.50 116.67 123.57 3gm8 s ASP 605 Ca 0.05 0.23 0.18 0.00 1.18 0.00 0.00 52.55 54.19 3gm8 s ASP 605 Cb -0.07 -0.43 0.77 0.00 -0.34 0.00 0.00 42.92 42.84 3gm8 s ASP 605 CO 0.01 -2.39 1.57 0.00 0.68 0.00 0.00 175.17 175.03 3gm8 n ILE 606 N -3.48 0.93 -0.16 2.11 3.06 -1.26 -1.62 119.36 118.93 3gm8 n ILE 606 Ca 0.14 0.24 0.11 0.00 -2.50 0.00 0.00 62.75 60.73 3gm8 n ILE 606 Cb 0.60 -1.06 0.27 0.00 0.54 0.00 0.00 39.64 39.98 3gm8 n ILE 606 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3gm8 n ALA 607 N -1.61 2.36 -2.05 1.51 0.00 -1.26 -4.37 120.51 115.08 3gm8 n ALA 607 Ca 0.03 -1.19 -0.02 0.00 0.00 0.00 0.00 53.44 52.26 3gm8 n ALA 607 Cb 0.20 -0.83 -0.00 0.00 0.00 0.00 0.00 19.45 18.82 3gm8 n ALA 607 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gm8 n ALA 608 N 1.43 -0.07 -2.80 0.00 0.00 -0.64 -4.96 120.51 113.46 3gm8 n ALA 608 Ca 0.21 0.02 -0.37 0.00 0.00 0.00 0.00 53.44 53.30 3gm8 n ALA 608 Cb 0.58 -0.70 -0.12 0.00 0.00 0.00 0.00 19.45 19.22 3gm8 n ALA 608 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gm8 s ILE 609 N -2.13 4.87 0.25 0.00 1.01 -1.26 -4.88 121.20 119.06 3gm8 s ILE 609 Ca 0.00 0.02 -0.31 0.00 0.00 0.00 0.00 60.65 60.36 3gm8 s ILE 609 Cb -0.00 -3.30 -0.13 0.00 0.01 0.00 0.00 42.46 39.04 3gm8 s ILE 609 CO 0.00 0.30 1.41 -2.65 0.00 0.00 0.00 174.94 174.00 3gm8 n PRO 610 N 4.91 2.09 -2.36 2.79 -0.02 -1.26 -1.50 135.00 139.64 3gm8 n PRO 610 Ca -0.15 0.74 -0.25 0.00 -2.02 0.00 0.00 63.50 61.82 3gm8 n PRO 610 Cb 0.52 -2.40 0.11 0.00 -0.02 0.00 0.00 33.50 31.72 3gm8 n PRO 610 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3gm8 s LYS 611 N -0.58 1.58 0.40 -0.52 1.02 -0.25 -4.87 119.74 116.53 3gm8 s LYS 611 Ca 0.66 -0.77 0.07 0.00 0.02 0.00 0.00 55.97 55.95 3gm8 s LYS 611 Cb -0.63 -2.20 0.83 0.00 -0.52 0.00 0.00 37.83 35.32 3gm8 s LYS 611 CO 0.51 -1.60 2.05 -0.44 -0.92 0.00 0.00 175.35 174.96 3gm8 h ASP 612 N -0.77 0.50 -0.72 2.83 3.32 -1.83 -2.64 116.42 117.11 3gm8 h ASP 612 Ca -0.40 -0.01 0.10 0.00 0.02 0.00 0.00 57.03 56.74 3gm8 h ASP 612 Cb 1.27 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 40.65 3gm8 h ASP 612 CO 0.44 0.36 0.48 0.00 -1.72 0.00 0.00 179.24 178.80 3gm8 h ALA 613 N 1.73 1.88 -0.59 3.45 0.00 -1.80 -0.51 119.26 123.42 3gm8 h ALA 613 Ca 0.16 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.18 3gm8 h ALA 613 Cb -0.07 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 17.49 3gm8 h ALA 613 CO -0.03 -0.04 -0.08 -0.92 0.00 0.00 0.00 179.25 178.17 3gm8 h TYR 614 N 0.59 -0.19 0.00 0.00 3.20 -1.46 -1.20 116.97 117.90 3gm8 h TYR 614 Ca 0.34 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 62.22 3gm8 h TYR 614 Cb 0.52 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 3gm8 h TYR 614 CO -0.00 -0.21 -0.18 0.74 -1.64 0.00 0.00 178.16 176.87 3gm8 h PHE 615 N 0.05 0.00 0.46 -3.82 0.04 -1.24 -0.03 116.94 112.41 3gm8 h PHE 615 Ca 0.30 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.04 3gm8 h PHE 615 Cb 0.47 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.62 3gm8 h PHE 615 CO -0.43 0.18 -0.22 1.25 -0.60 0.00 0.00 178.31 178.48 3gm8 h LEU 616 N 0.00 -0.52 0.14 1.54 5.85 -0.66 -1.49 115.31 120.16 3gm8 h LEU 616 Ca -0.00 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3gm8 h LEU 616 Cb 0.83 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 3gm8 h LEU 616 CO 0.02 -0.26 -0.26 1.88 -0.34 0.00 0.00 178.44 179.49 3gm8 h TYR 617 N -0.78 -0.68 -1.12 1.25 0.05 -1.21 -1.95 116.97 112.52 3gm8 h TYR 617 Ca -0.06 0.01 0.35 0.00 0.05 0.00 0.00 58.73 59.08 3gm8 h TYR 617 Cb 0.55 0.28 -0.13 0.00 1.01 0.00 0.00 36.73 38.44 3gm8 h TYR 617 CO -0.01 -0.36 0.69 0.37 -1.05 0.00 0.00 178.16 177.80 3gm8 h GLN 618 N -0.47 0.24 0.00 4.88 4.15 -0.98 0.23 115.11 123.16 3gm8 h GLN 618 Ca 0.02 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3gm8 h GLN 618 Cb 0.49 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.13 3gm8 h GLN 618 CO -0.13 0.16 0.00 0.66 -1.93 0.00 0.00 178.83 177.59 3gm8 h SER 619 N 0.25 0.00 0.04 -0.69 4.64 -0.49 -2.45 113.55 114.84 3gm8 h SER 619 Ca 0.73 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.88 3gm8 h SER 619 Cb 1.96 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 64.02 3gm8 h SER 619 CO -0.47 0.00 -2.15 0.18 -0.87 0.00 0.00 176.83 173.52 3gm8 n LEU 620 N -3.10 0.04 -0.11 5.97 4.77 0.60 -4.19 117.00 121.00 3gm8 n LEU 620 Ca 0.03 0.02 0.06 0.00 -0.03 0.00 0.00 56.01 56.09 3gm8 n LEU 620 Cb 0.46 0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.73 3gm8 n LEU 620 CO 0.32 0.24 0.06 0.79 -1.33 0.00 0.00 177.39 177.47 3gm8 n TRP 621 N -2.52 0.00 -4.41 -1.77 7.02 0.05 -5.01 117.44 110.81 3gm8 n TRP 621 Ca -0.18 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.10 3gm8 n TRP 621 Cb 0.85 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.64 3gm8 n TRP 621 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 3gm8 s THR 622 N -2.05 1.77 -0.18 -0.99 -4.23 -0.93 -4.70 115.64 104.33 3gm8 s THR 622 Ca 0.07 -2.18 0.11 0.00 -1.18 0.00 0.00 61.69 58.51 3gm8 s THR 622 Cb 0.10 -2.32 -0.19 0.00 1.34 0.00 0.00 72.50 71.43 3gm8 s THR 622 CO 0.47 -0.39 -0.02 0.47 -0.54 0.00 0.00 174.62 174.61 3gm8 n ASP 623 N -0.54 1.32 -4.69 3.99 8.00 -1.26 -4.86 116.55 118.52 3gm8 n ASP 623 Ca -0.06 -0.04 -0.45 0.00 0.71 0.00 0.00 54.79 54.96 3gm8 n ASP 623 Cb 0.62 0.51 -0.04 0.00 -0.02 0.00 0.00 41.12 42.20 3gm8 n ASP 623 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3gm8 n LYS 624 N -2.79 2.34 -1.91 -1.24 4.81 -1.26 -4.81 118.16 113.29 3gm8 n LYS 624 Ca -0.31 0.84 -0.41 0.00 -0.87 0.00 0.00 58.31 57.56 3gm8 n LYS 624 Cb 1.00 -2.62 -0.02 0.00 0.02 0.00 0.00 35.03 33.41 3gm8 n LYS 624 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3gm8 s PRO 625 N 0.79 4.21 0.07 1.64 0.02 -1.26 -4.93 135.00 135.54 3gm8 s PRO 625 Ca 0.76 2.41 -0.10 0.00 0.02 0.00 0.00 61.00 64.10 3gm8 s PRO 625 Cb -0.62 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 30.82 3gm8 s PRO 625 CO 0.38 -0.52 0.21 0.00 -0.33 0.00 0.00 177.00 176.74 3gm8 s MET 626 N -0.25 0.80 -0.04 5.54 0.23 -1.26 -4.83 119.30 119.49 3gm8 s MET 626 Ca 0.62 -0.80 -0.08 0.00 -1.03 0.00 0.00 55.69 54.40 3gm8 s MET 626 Cb -0.44 0.33 0.01 0.00 -1.53 0.00 0.00 34.83 33.20 3gm8 s MET 626 CO 0.44 -0.25 0.20 0.54 -2.03 0.00 0.00 175.02 173.91 3gm8 s VAL 627 N -3.31 0.04 -0.02 5.16 0.11 -1.26 -3.20 120.40 117.91 3gm8 s VAL 627 Ca 0.01 -0.29 0.01 0.00 -2.93 0.00 0.00 61.98 58.77 3gm8 s VAL 627 Cb 0.02 -0.38 0.02 0.00 -1.53 0.00 0.00 36.38 34.51 3gm8 s VAL 627 CO -0.08 -0.16 -0.01 -2.28 -3.33 0.00 0.00 175.10 169.24 3gm8 s HIS 628 N -0.57 0.26 -0.01 1.54 2.46 0.09 -4.48 115.29 114.57 3gm8 s HIS 628 Ca -0.07 -0.00 0.03 0.00 0.47 0.00 0.00 55.06 55.50 3gm8 s HIS 628 Cb -0.04 -0.31 -0.03 0.00 -0.13 0.00 0.00 32.58 32.07 3gm8 s HIS 628 CO 0.01 -0.08 -0.09 -1.17 -2.47 0.00 0.00 174.74 170.94 3gm8 s LEU 629 N 0.67 3.05 0.05 8.88 0.20 -1.26 -1.42 118.68 128.85 3gm8 s LEU 629 Ca -0.06 -0.17 -0.06 0.00 0.69 0.00 0.00 54.13 54.53 3gm8 s LEU 629 Cb -0.09 -1.73 -0.01 0.00 -0.43 0.00 0.00 46.19 43.92 3gm8 s LEU 629 CO -0.01 0.30 0.10 -1.48 -0.29 0.00 0.00 176.35 174.97 3gm8 s LEU 630 N -1.25 1.80 0.00 -0.68 2.34 -0.50 -4.84 118.68 115.55 3gm8 s LEU 630 Ca 0.15 -0.64 0.00 0.00 0.06 0.00 0.00 54.13 53.71 3gm8 s LEU 630 Cb -0.11 0.66 0.00 0.00 -0.56 0.00 0.00 46.19 46.18 3gm8 s LEU 630 CO 0.06 -0.59 0.00 -0.81 -1.06 0.00 0.00 176.35 173.95 3gm8 n PRO 631 N 0.43 1.01 -0.53 1.48 -0.04 -1.26 -0.76 135.00 135.33 3gm8 n PRO 631 Ca -0.17 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.13 3gm8 n PRO 631 Cb 0.60 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.19 3gm8 n PRO 631 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3gm8 n HIS 632 N -0.08 -3.45 -2.03 0.54 1.44 -1.26 -4.96 115.22 105.42 3gm8 n HIS 632 Ca 0.00 -0.51 -0.16 0.00 -2.01 0.00 0.00 57.72 55.04 3gm8 n HIS 632 Cb 0.00 -0.59 0.06 0.00 0.12 0.00 0.00 29.99 29.57 3gm8 n HIS 632 CO 0.00 0.00 0.00 1.87 -2.81 0.00 0.00 176.34 175.40 3gm8 n TRP 633 N -3.75 2.06 -3.80 -1.40 -0.00 -1.26 -4.91 117.44 104.38 3gm8 n TRP 633 Ca 0.08 -2.05 -0.34 0.00 -0.00 0.00 0.00 57.50 55.19 3gm8 n TRP 633 Cb 0.31 -0.31 -0.11 0.00 -0.00 0.00 0.00 31.31 31.19 3gm8 n TRP 633 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 3gm8 s THR 634 N -4.18 3.30 -0.47 5.87 2.01 -1.26 -3.28 115.64 117.62 3gm8 s THR 634 Ca 0.46 -3.05 0.08 0.00 0.31 0.00 0.00 61.69 59.49 3gm8 s THR 634 Cb 0.39 -3.20 0.37 0.00 0.01 0.00 0.00 72.50 70.08 3gm8 s THR 634 CO 0.01 -0.84 0.94 1.41 -0.69 0.00 0.00 174.62 175.45 3gm8 n HIS 635 N 3.39 2.79 -2.01 4.92 8.25 -1.26 -4.96 115.22 126.34 3gm8 n HIS 635 Ca 0.07 -3.61 -0.41 0.00 -0.26 0.00 0.00 57.72 53.50 3gm8 n HIS 635 Cb 0.36 -0.36 -0.02 0.00 1.12 0.00 0.00 29.99 31.08 3gm8 n HIS 635 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3gm8 s PRO 636 N -3.24 4.27 0.00 -0.41 0.04 -1.26 -1.53 135.00 132.86 3gm8 s PRO 636 Ca 0.44 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.78 3gm8 s PRO 636 Cb 0.34 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.77 3gm8 s PRO 636 CO -0.12 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 176.90 3gm8 n GLY 637 N 2.30 2.53 0.72 0.56 0.00 -1.26 -4.95 105.19 105.09 3gm8 n GLY 637 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 3gm8 n GLY 637 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gm8 n LYS 638 N -1.40 2.40 -1.65 1.61 5.02 -0.58 -5.01 118.16 118.55 3gm8 n LYS 638 Ca 0.00 -2.82 -0.47 0.00 -2.02 0.00 0.00 58.31 53.00 3gm8 n LYS 638 Cb 0.00 -1.76 -0.04 0.00 -0.02 0.00 0.00 35.03 33.21 3gm8 n LYS 638 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3gm8 n GLU 639 N -0.80 1.92 0.00 1.97 4.71 -1.26 -0.74 120.64 126.44 3gm8 n GLU 639 Ca 0.21 0.69 0.00 0.00 -0.01 0.00 0.00 57.16 58.05 3gm8 n GLU 639 Cb 0.85 -2.40 0.00 0.00 -1.01 0.00 0.00 31.44 28.88 3gm8 n GLU 639 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gm8 n GLY 640 N 2.90 2.92 3.83 0.62 0.00 -0.59 -4.91 105.19 109.96 3gm8 n GLY 640 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3gm8 n GLY 640 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gm8 s LYS 641 N -0.18 4.05 -0.10 1.61 -0.14 0.08 -4.45 119.74 120.61 3gm8 s LYS 641 Ca 0.00 1.03 -0.30 0.00 -1.36 0.00 0.00 55.97 55.34 3gm8 s LYS 641 Cb 0.00 -2.15 -0.03 0.00 -1.68 0.00 0.00 37.83 33.97 3gm8 s LYS 641 CO 0.00 -0.19 1.36 0.99 -0.76 0.00 0.00 175.35 176.75 3gm8 s THR 642 N -2.44 4.04 -0.16 2.17 2.01 -1.26 -0.85 115.64 119.14 3gm8 s THR 642 Ca 0.60 1.30 -0.05 0.00 0.31 0.00 0.00 61.69 63.85 3gm8 s THR 642 Cb -0.10 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 3gm8 s THR 642 CO 0.24 -0.08 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.45 3gm8 s ILE 643 N 3.26 4.17 -0.33 1.82 -1.09 -0.37 -4.81 121.20 123.84 3gm8 s ILE 643 Ca 0.60 -0.26 -0.25 0.00 -2.23 0.00 0.00 60.65 58.51 3gm8 s ILE 643 Cb -0.26 -2.84 0.01 0.00 -1.58 0.00 0.00 42.46 37.78 3gm8 s ILE 643 CO 0.21 0.49 0.87 -2.16 -1.23 0.00 0.00 174.94 173.12 3gm8 s PRO 644 N 0.35 3.92 -0.27 2.79 0.04 -1.26 -1.18 135.00 139.38 3gm8 s PRO 644 Ca -0.02 0.63 -0.10 0.00 0.04 0.00 0.00 61.00 61.55 3gm8 s PRO 644 Cb -0.14 -3.76 -0.04 0.00 0.04 0.00 0.00 34.50 30.60 3gm8 s PRO 644 CO 0.02 -0.82 0.15 0.08 0.04 0.00 0.00 177.00 176.48 3gm8 s VAL 645 N 3.24 5.02 -0.09 -0.36 1.01 -0.31 -4.35 120.40 124.55 3gm8 s VAL 645 Ca 0.36 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.42 3gm8 s VAL 645 Cb -0.13 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 3gm8 s VAL 645 CO 0.15 0.28 -0.14 -0.69 0.00 0.00 0.00 175.10 174.71 3gm8 s VAL 646 N 1.67 3.03 -0.07 2.92 1.01 0.06 -0.99 120.40 128.03 3gm8 s VAL 646 Ca 0.07 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3gm8 s VAL 646 Cb -0.16 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 3gm8 s VAL 646 CO 0.08 0.55 -0.16 -0.63 0.00 0.00 0.00 175.10 174.95 3gm8 s ILE 647 N -0.13 2.87 -0.02 2.22 1.09 0.21 -1.41 121.20 126.03 3gm8 s ILE 647 Ca -0.01 -0.77 0.02 0.00 -1.10 0.00 0.00 60.65 58.78 3gm8 s ILE 647 Cb -0.14 -2.13 -0.03 0.00 -1.06 0.00 0.00 42.46 39.10 3gm8 s ILE 647 CO 0.03 0.57 -0.04 -0.31 -0.10 0.00 0.00 174.94 175.10 3gm8 s TYR 648 N -0.35 2.99 -0.04 3.97 2.02 -0.50 -1.05 117.35 124.39 3gm8 s TYR 648 Ca 0.03 0.03 -0.29 0.00 -0.37 0.00 0.00 57.07 56.47 3gm8 s TYR 648 Cb -0.12 -1.66 0.11 0.00 -0.40 0.00 0.00 41.96 39.88 3gm8 s TYR 648 CO 0.02 0.41 0.89 -0.08 -1.57 0.00 0.00 175.55 175.22 3gm8 s THR 649 N -0.99 0.00 -0.24 -0.71 -1.32 -1.26 -0.73 115.64 110.38 3gm8 s THR 649 Ca 0.17 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.81 3gm8 s THR 649 Cb -0.11 -1.00 0.45 0.00 -1.51 0.00 0.00 72.50 70.33 3gm8 s THR 649 CO 0.07 0.00 1.35 -0.46 -2.21 0.00 0.00 174.62 173.37 3gm8 n ASN 650 N 0.03 3.48 -4.59 8.08 0.23 -1.19 -4.82 115.26 116.46 3gm8 n ASN 650 Ca -0.10 -2.90 -0.25 0.00 -0.53 0.00 0.00 54.58 50.80 3gm8 n ASN 650 Cb 0.61 -0.48 0.12 0.00 -2.08 0.00 0.00 39.78 37.95 3gm8 n ASN 650 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gm8 h ASP 652 N -0.80 0.47 -4.98 0.00 3.32 -1.54 -3.42 116.42 109.47 3gm8 h ASP 652 Ca -0.40 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.34 3gm8 h ASP 652 Cb 1.27 -0.14 -0.12 0.00 0.22 0.00 0.00 39.33 40.56 3gm8 h ASP 652 CO 0.44 1.03 0.22 0.00 -1.72 0.00 0.00 179.24 179.21 3gm8 s ALA 653 N -3.67 -1.61 -0.02 3.45 0.00 -1.01 -0.19 121.76 118.71 3gm8 s ALA 653 Ca -0.06 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.43 3gm8 s ALA 653 Cb 0.11 0.86 0.01 0.00 0.00 0.00 0.00 23.12 24.10 3gm8 s ALA 653 CO 0.84 -0.76 -0.03 0.08 0.00 0.00 0.00 175.76 175.88 3gm8 s VAL 654 N -3.71 0.37 -0.11 0.00 1.01 -0.61 -0.26 120.40 117.08 3gm8 s VAL 654 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3gm8 s VAL 654 Cb -0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 3gm8 s VAL 654 CO -0.13 0.15 -0.12 -0.70 0.00 0.00 0.00 175.10 174.30 3gm8 s GLU 655 N 0.47 3.22 -0.10 2.72 2.12 -0.53 -1.25 118.70 125.36 3gm8 s GLU 655 Ca -0.05 -0.67 -0.04 0.00 0.36 0.00 0.00 54.97 54.56 3gm8 s GLU 655 Cb -0.09 -2.60 -0.04 0.00 0.26 0.00 0.00 34.13 31.66 3gm8 s GLU 655 CO -0.00 0.31 0.07 -1.17 -0.54 0.00 0.00 175.26 173.92 3gm8 s LEU 656 N 0.11 3.95 -0.03 2.70 2.96 -1.21 0.44 118.68 127.60 3gm8 s LEU 656 Ca -0.06 0.29 0.02 0.00 -0.22 0.00 0.00 54.13 54.16 3gm8 s LEU 656 Cb -0.15 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.62 3gm8 s LEU 656 CO 0.04 0.38 -0.07 -0.36 -1.32 0.00 0.00 176.35 175.03 3gm8 s PHE 657 N -0.89 0.86 -0.22 5.38 0.08 0.92 0.29 117.98 124.39 3gm8 s PHE 657 Ca 0.14 -0.23 -0.03 0.00 0.12 0.00 0.00 56.93 56.92 3gm8 s PHE 657 Cb -0.12 -0.66 -0.00 0.00 -0.57 0.00 0.00 43.02 41.67 3gm8 s PHE 657 CO 0.03 -0.13 -0.05 -1.50 -0.10 0.00 0.00 175.22 173.47 3gm8 s ILE 658 N 0.43 3.27 -1.67 0.64 1.10 -0.60 -0.55 121.20 123.82 3gm8 s ILE 658 Ca -0.06 -0.56 -0.13 0.00 -0.51 0.00 0.00 60.65 59.38 3gm8 s ILE 658 Cb -0.10 -2.50 0.12 0.00 0.15 0.00 0.00 42.46 40.13 3gm8 s ILE 658 CO 0.01 0.40 0.52 0.59 -2.11 0.00 0.00 174.94 174.35 3gm8 n ASN 659 N 4.78 -1.56 -0.83 4.50 4.13 -0.40 -1.31 115.26 124.57 3gm8 n ASN 659 Ca -0.18 -1.13 -0.11 0.00 1.68 0.00 0.00 54.58 54.84 3gm8 n ASN 659 Cb 0.50 -2.28 -0.05 0.00 -1.54 0.00 0.00 39.78 36.42 3gm8 n ASN 659 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3gm8 n ASN 660 N -2.71 -4.81 -4.76 6.41 5.15 -1.26 -5.01 115.26 108.28 3gm8 n ASN 660 Ca -0.06 0.27 -0.36 0.00 -0.60 0.00 0.00 54.58 53.83 3gm8 n ASN 660 Cb 0.56 -3.27 -0.08 0.00 -0.53 0.00 0.00 39.78 36.46 3gm8 n ASN 660 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3gm8 s VAL 661 N -2.24 5.26 0.04 3.44 1.01 -0.43 -5.08 120.40 122.41 3gm8 s VAL 661 Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 3gm8 s VAL 661 Cb 0.00 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 3gm8 s VAL 661 CO 0.00 0.51 1.12 -0.55 0.00 0.00 0.00 175.10 176.18 3gm8 s SER 662 N -0.14 7.18 0.00 3.32 0.15 -1.26 -1.55 113.70 121.40 3gm8 s SER 662 Ca 0.10 1.88 0.18 0.00 0.70 0.00 0.00 55.95 58.80 3gm8 s SER 662 Cb -0.12 -2.58 0.51 0.00 -1.71 0.00 0.00 66.02 62.12 3gm8 s SER 662 CO 0.00 -0.40 1.41 0.18 1.20 0.00 0.00 173.24 175.64 3gm8 n LEU 663 N 3.95 2.53 0.00 3.45 4.77 0.14 -4.95 117.00 126.89 3gm8 n LEU 663 Ca 0.08 -1.20 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 3gm8 n LEU 663 Cb 0.48 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3gm8 n LEU 663 CO 0.54 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 3gm8 n GLY 664 N 1.28 2.68 3.86 -0.72 0.00 -1.25 -4.89 105.19 106.15 3gm8 n GLY 664 Ca 0.17 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 3gm8 n GLY 664 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gm8 s SER 665 N 0.00 6.28 -0.03 1.61 0.15 -1.26 -3.33 113.70 117.11 3gm8 s SER 665 Ca 0.00 0.44 0.03 0.00 0.70 0.00 0.00 55.95 57.12 3gm8 s SER 665 Cb 0.00 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 3gm8 s SER 665 CO 0.00 0.40 -0.13 -0.54 1.20 0.00 0.00 173.24 174.17 3gm8 s LYS 666 N -1.04 1.37 0.49 5.44 1.02 -0.38 -4.99 119.74 121.65 3gm8 s LYS 666 Ca 0.15 -0.45 -0.18 0.00 0.02 0.00 0.00 55.97 55.50 3gm8 s LYS 666 Cb -0.12 -1.22 -0.09 0.00 -0.52 0.00 0.00 37.83 35.88 3gm8 s LYS 666 CO 0.04 0.18 0.98 -2.14 -0.92 0.00 0.00 175.35 173.49 3gm8 s PRO 667 N 0.13 3.99 -0.31 -1.68 0.02 -1.26 -1.57 135.00 134.31 3gm8 s PRO 667 Ca -0.04 1.06 -0.11 0.00 0.02 0.00 0.00 61.00 61.93 3gm8 s PRO 667 Cb -0.10 -2.14 -0.03 0.00 0.02 0.00 0.00 34.50 32.25 3gm8 s PRO 667 CO 0.01 -0.24 0.20 -0.47 -0.33 0.00 0.00 177.00 176.18 3gm8 s TYR 668 N -2.41 3.21 -0.10 6.54 5.04 0.74 -4.89 117.35 125.48 3gm8 s TYR 668 Ca 0.61 -0.11 0.13 0.00 -2.44 0.00 0.00 57.07 55.26 3gm8 s TYR 668 Cb -0.10 -2.41 0.24 0.00 0.35 0.00 0.00 41.96 40.04 3gm8 s TYR 668 CO 0.25 -0.28 1.12 0.25 -1.34 0.00 0.00 175.55 175.54 3gm8 n THR 669 N 5.06 1.27 0.00 4.34 -2.24 -1.26 -4.83 114.28 116.63 3gm8 n THR 669 Ca -0.14 -1.69 0.00 0.00 -2.27 0.00 0.00 64.05 59.96 3gm8 n THR 669 Cb 0.51 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 3gm8 n THR 669 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gm8 n GLY 670 N -0.85 1.80 3.97 3.38 0.00 -1.26 -5.11 105.19 107.13 3gm8 n GLY 670 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 3gm8 n GLY 670 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gm8 s GLU 671 N -0.54 3.37 0.28 1.61 0.41 -1.26 -5.08 118.70 117.50 3gm8 s GLU 671 Ca 0.00 -0.74 -0.30 0.00 -0.41 0.00 0.00 54.97 53.52 3gm8 s GLU 671 Cb 0.00 -2.84 -0.10 0.00 -1.78 0.00 0.00 34.13 29.41 3gm8 s GLU 671 CO 0.00 0.30 1.46 1.14 -0.49 0.00 0.00 175.26 177.67 3gm8 s GLN 672 N -4.08 4.23 -0.22 1.61 -2.07 -1.26 -4.96 119.66 112.91 3gm8 s GLN 672 Ca 0.37 2.38 -0.21 0.00 -1.82 0.00 0.00 55.36 56.08 3gm8 s GLN 672 Cb -0.09 -3.07 -0.02 0.00 -1.09 0.00 0.00 33.01 28.74 3gm8 s GLN 672 CO 0.31 -0.44 0.67 -0.51 -1.32 0.00 0.00 175.29 173.99 3gm8 s LEU 673 N -0.81 4.12 -0.10 2.60 1.43 -0.21 -4.89 118.68 120.81 3gm8 s LEU 673 Ca 0.58 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.52 3gm8 s LEU 673 Cb -0.43 -2.94 -0.02 0.00 0.03 0.00 0.00 46.19 42.83 3gm8 s LEU 673 CO 0.48 -0.34 -0.10 -0.63 0.23 0.00 0.00 176.35 175.99 3gm8 s ILE 674 N 2.20 3.36 -0.08 -0.59 1.01 -1.26 0.65 121.20 126.49 3gm8 s ILE 674 Ca 0.29 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.41 3gm8 s ILE 674 Cb -0.16 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 39.92 3gm8 s ILE 674 CO 0.10 0.55 -0.21 0.26 0.00 0.00 0.00 174.94 175.64 3gm8 s TRP 675 N -0.15 2.18 -0.40 3.97 0.51 -0.16 -5.00 118.94 119.89 3gm8 s TRP 675 Ca 0.00 -0.80 -0.21 0.00 -2.12 0.00 0.00 56.10 52.97 3gm8 s TRP 675 Cb -0.13 -1.47 0.01 0.00 -0.81 0.00 0.00 33.47 31.07 3gm8 s TRP 675 CO 0.03 -0.32 0.68 -0.51 -0.51 0.00 0.00 176.95 176.32 3gm8 s LEU 676 N 0.28 4.32 -0.19 2.99 1.43 -1.26 -1.16 118.68 125.08 3gm8 s LEU 676 Ca -0.13 -0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 3gm8 s LEU 676 Cb -0.16 -2.82 0.01 0.00 0.03 0.00 0.00 46.19 43.26 3gm8 s LEU 676 CO 0.06 -0.72 -0.16 -0.69 0.23 0.00 0.00 176.35 175.07 3gm8 s VAL 677 N 2.87 2.37 0.15 -1.59 1.01 -0.32 -4.93 120.40 119.95 3gm8 s VAL 677 Ca 0.25 -0.85 -0.31 0.00 0.00 0.00 0.00 61.98 61.07 3gm8 s VAL 677 Cb -0.14 -2.03 -0.11 0.00 0.00 0.00 0.00 36.38 34.11 3gm8 s VAL 677 CO 0.18 0.50 1.77 -2.16 0.00 0.00 0.00 175.10 175.39 3gm8 s PRO 678 N 1.33 4.14 -0.11 2.72 0.04 -1.26 -1.24 135.00 140.62 3gm8 s PRO 678 Ca 0.05 2.57 -0.29 0.00 0.04 0.00 0.00 61.00 63.36 3gm8 s PRO 678 Cb -0.13 -3.42 -0.03 0.00 0.04 0.00 0.00 34.50 30.95 3gm8 s PRO 678 CO -0.11 -0.80 1.37 -0.47 0.04 0.00 0.00 177.00 177.03 3gm8 s TYR 679 N 2.21 2.66 -0.01 0.56 5.04 -0.03 -4.82 117.35 122.95 3gm8 s TYR 679 Ca 0.78 0.80 0.05 0.00 -2.44 0.00 0.00 57.07 56.26 3gm8 s TYR 679 Cb -0.47 -3.62 -0.01 0.00 0.35 0.00 0.00 41.96 38.22 3gm8 s TYR 679 CO 0.35 -2.28 -0.16 -1.12 -1.34 0.00 0.00 175.55 171.00 3gm8 s SER 680 N 2.26 1.87 0.58 4.32 0.01 -1.26 -1.54 113.70 119.94 3gm8 s SER 680 Ca 0.60 -0.29 -0.20 0.00 1.31 0.00 0.00 55.95 57.38 3gm8 s SER 680 Cb -0.26 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.73 3gm8 s SER 680 CO 0.20 0.19 1.24 -2.84 0.41 0.00 0.00 173.24 172.45 3gm8 s PRO 681 N -0.38 3.02 0.00 12.44 0.01 -1.26 -4.87 135.00 143.95 3gm8 s PRO 681 Ca 0.06 1.93 0.00 0.00 0.01 0.00 0.00 61.00 63.00 3gm8 s PRO 681 Cb -0.06 -2.02 0.00 0.00 0.01 0.00 0.00 34.50 32.43 3gm8 s PRO 681 CO -0.01 -1.20 0.00 0.41 0.01 0.00 0.00 177.00 176.22 3gm8 n GLY 682 N 0.60 -0.20 3.23 0.52 0.00 -1.26 -5.01 105.19 103.07 3gm8 n GLY 682 Ca 0.13 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.70 3gm8 n GLY 682 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gm8 s LYS 683 N -2.00 2.60 -0.09 1.61 2.20 -1.26 -1.82 119.74 120.97 3gm8 s LYS 683 Ca 0.00 -1.17 -0.17 0.00 -0.36 0.00 0.00 55.97 54.27 3gm8 s LYS 683 Cb 0.00 -3.27 -0.05 0.00 -1.51 0.00 0.00 37.83 33.00 3gm8 s LYS 683 CO 0.00 -0.59 0.44 -1.50 -0.36 0.00 0.00 175.35 173.34 3gm8 s ILE 684 N 1.34 5.16 -0.06 5.43 2.07 0.48 -1.28 121.20 134.34 3gm8 s ILE 684 Ca -0.03 0.88 -0.03 0.00 -1.41 0.00 0.00 60.65 60.07 3gm8 s ILE 684 Cb -0.19 -3.77 0.04 0.00 0.13 0.00 0.00 42.46 38.66 3gm8 s ILE 684 CO 0.00 0.39 0.14 -0.70 -1.91 0.00 0.00 174.94 172.87 3gm8 s GLU 685 N 0.22 0.09 -0.21 3.50 2.12 0.28 -0.88 118.70 123.82 3gm8 s GLU 685 Ca 0.24 0.37 -0.09 0.00 0.36 0.00 0.00 54.97 55.86 3gm8 s GLU 685 Cb -0.15 -0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.01 3gm8 s GLU 685 CO 0.10 -0.17 0.10 0.00 -0.54 0.00 0.00 175.26 174.75 3gm8 s ALA 686 N 1.18 3.46 -0.20 6.30 0.00 -0.23 -0.05 121.76 132.21 3gm8 s ALA 686 Ca -0.09 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 50.99 3gm8 s ALA 686 Cb -0.12 -2.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.90 3gm8 s ALA 686 CO -0.06 -0.02 -0.02 1.03 0.00 0.00 0.00 175.76 176.69 3gm8 s ARG 687 N 0.73 3.51 -0.21 0.00 0.52 0.17 -1.84 118.95 121.83 3gm8 s ARG 687 Ca 0.05 -0.57 -0.16 0.00 -0.52 0.00 0.00 55.73 54.53 3gm8 s ARG 687 Cb -0.13 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.28 3gm8 s ARG 687 CO 0.02 -0.06 0.41 0.20 0.02 0.00 0.00 175.30 175.89 3gm8 s GLY 688 N 1.15 2.06 -0.13 -3.53 0.00 0.44 -1.45 107.32 105.86 3gm8 s GLY 688 Ca 0.02 -0.54 -0.00 0.00 0.00 0.00 0.00 44.72 44.21 3gm8 s GLY 688 CO 0.00 0.87 -0.13 -0.42 0.00 0.00 0.00 173.10 173.42 3gm8 s ILE 689 N 1.43 3.01 -0.12 0.90 1.01 0.64 -0.01 121.20 128.07 3gm8 s ILE 689 Ca 0.19 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.18 3gm8 s ILE 689 Cb -0.15 -2.26 0.02 0.00 0.01 0.00 0.00 42.46 40.07 3gm8 s ILE 689 CO 0.08 0.52 -0.15 -0.54 0.00 0.00 0.00 174.94 174.85 3gm8 s LYS 690 N 0.38 2.28 -1.37 2.79 1.02 0.97 -1.32 119.74 124.49 3gm8 s LYS 690 Ca -0.11 -0.58 -0.08 0.00 0.02 0.00 0.00 55.97 55.22 3gm8 s LYS 690 Cb -0.16 -1.97 0.02 0.00 -0.52 0.00 0.00 37.83 35.20 3gm8 s LYS 690 CO 0.05 -0.10 1.10 1.63 -0.92 0.00 0.00 175.35 177.11 3gm8 n LYS 691 N 4.34 -7.20 -0.08 1.68 4.76 -1.26 -0.88 118.16 119.51 3gm8 n LYS 691 Ca -0.18 0.78 0.00 0.00 -2.87 0.00 0.00 58.31 56.03 3gm8 n LYS 691 Cb 0.51 -5.78 0.00 0.00 -1.84 0.00 0.00 35.03 27.92 3gm8 n LYS 691 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gm8 n GLY 692 N -1.82 1.69 3.83 0.72 0.00 -1.26 -5.00 105.19 103.35 3gm8 n GLY 692 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 3gm8 n GLY 692 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gm8 s LYS 693 N -0.04 3.92 -0.18 1.61 -0.14 -0.06 -5.06 119.74 119.79 3gm8 s LYS 693 Ca 0.00 0.40 -0.29 0.00 -1.36 0.00 0.00 55.97 54.72 3gm8 s LYS 693 Cb 0.00 -3.23 -0.00 0.00 -1.68 0.00 0.00 37.83 32.92 3gm8 s LYS 693 CO 0.00 0.68 1.06 0.42 -0.76 0.00 0.00 175.35 176.75 3gm8 s ILE 694 N -1.02 4.65 0.00 2.17 1.01 -1.26 -0.02 121.20 126.73 3gm8 s ILE 694 Ca 0.23 1.97 0.00 0.00 0.00 0.00 0.00 60.65 62.85 3gm8 s ILE 694 Cb -0.17 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.04 3gm8 s ILE 694 CO 0.13 -0.11 0.20 1.33 0.00 0.00 0.00 174.94 176.50 3gm8 n VAL 695 N 5.05 0.00 -3.57 2.92 0.24 0.99 -4.94 118.33 119.02 3gm8 n VAL 695 Ca 0.11 -0.41 -0.16 0.00 -2.04 0.00 0.00 64.34 61.84 3gm8 n VAL 695 Cb 0.47 1.09 -0.06 0.00 -1.47 0.00 0.00 33.84 33.87 3gm8 n VAL 695 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gm8 s ALA 696 N -0.41 -1.52 0.05 2.33 0.00 -1.14 -4.90 121.76 116.18 3gm8 s ALA 696 Ca 0.00 1.01 -0.06 0.00 0.00 0.00 0.00 51.96 52.92 3gm8 s ALA 696 Cb 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 3gm8 s ALA 696 CO 0.00 -0.38 0.10 0.95 0.00 0.00 0.00 175.76 176.43 3gm8 s THR 697 N -1.48 0.15 -0.03 0.00 -4.23 -1.26 -0.42 115.64 108.38 3gm8 s THR 697 Ca -0.10 -1.25 -0.07 0.00 -1.18 0.00 0.00 61.69 59.09 3gm8 s THR 697 Cb -0.01 -1.14 0.01 0.00 1.34 0.00 0.00 72.50 72.70 3gm8 s THR 697 CO 0.07 -0.69 0.16 -0.62 -0.54 0.00 0.00 174.62 172.99 3gm8 s ASP 698 N -2.48 -0.07 0.20 3.99 2.15 -0.77 -4.74 116.67 114.96 3gm8 s ASP 698 Ca 0.00 0.04 -0.15 0.00 0.43 0.00 0.00 52.55 52.87 3gm8 s ASP 698 Cb 0.02 0.27 0.01 0.00 -0.30 0.00 0.00 42.92 42.93 3gm8 s ASP 698 CO -0.07 -0.24 0.47 0.00 -0.17 0.00 0.00 175.17 175.16 3gm8 s TYR 700 N -3.93 0.16 0.06 0.00 2.02 -0.06 -5.00 117.35 110.61 3gm8 s TYR 700 Ca 0.14 -0.34 0.07 0.00 -0.37 0.00 0.00 57.07 56.58 3gm8 s TYR 700 Cb -0.00 -0.12 -0.04 0.00 -0.40 0.00 0.00 41.96 41.40 3gm8 s TYR 700 CO 0.01 -0.20 -0.16 -0.65 -1.57 0.00 0.00 175.55 172.98 3gm8 s GLN 701 N -1.26 2.05 0.10 -0.62 -0.21 -1.26 -0.38 119.66 118.07 3gm8 s GLN 701 Ca -0.14 -1.01 -0.31 0.00 0.02 0.00 0.00 55.36 53.92 3gm8 s GLN 701 Cb -0.08 -2.21 -0.09 0.00 1.00 0.00 0.00 33.01 31.63 3gm8 s GLN 701 CO -0.00 0.53 1.65 -1.12 -2.12 0.00 0.00 175.29 174.22 3gm8 s SER 702 N -1.70 6.58 0.23 5.90 0.01 -0.76 -4.59 113.70 119.37 3gm8 s SER 702 Ca 0.16 2.55 -0.09 0.00 1.31 0.00 0.00 55.95 59.89 3gm8 s SER 702 Cb -0.11 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.48 3gm8 s SER 702 CO 0.08 -0.88 0.53 0.00 0.41 0.00 0.00 173.24 173.38 3gm8 s ALA 703 N 2.22 3.60 0.30 1.44 0.00 -1.26 -4.87 121.76 123.19 3gm8 s ALA 703 Ca 0.73 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.36 3gm8 s ALA 703 Cb -0.42 -2.39 0.02 0.00 0.00 0.00 0.00 23.12 20.34 3gm8 s ALA 703 CO 0.32 0.50 0.13 0.39 0.00 0.00 0.00 175.76 177.10 3gm8 n GLU 704 N -0.20 0.67 -1.79 0.00 1.02 -1.26 -4.98 120.64 114.10 3gm8 n GLU 704 Ca -0.00 -0.39 -0.37 0.00 -0.02 0.00 0.00 57.16 56.38 3gm8 n GLU 704 Cb 0.52 -0.07 0.06 0.00 -0.02 0.00 0.00 31.44 31.93 3gm8 n GLU 704 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gm8 s ALA 705 N -2.56 2.49 0.53 0.62 0.00 -1.26 -4.70 121.76 116.89 3gm8 s ALA 705 Ca 0.09 1.21 -0.21 0.00 0.00 0.00 0.00 51.96 53.04 3gm8 s ALA 705 Cb -0.01 -3.54 -0.07 0.00 0.00 0.00 0.00 23.12 19.51 3gm8 s ALA 705 CO 0.06 -1.49 1.13 -0.35 0.00 0.00 0.00 175.76 175.11 3gm8 n PRO 706 N -1.68 1.35 0.00 0.00 -0.04 -1.26 -4.22 135.00 129.15 3gm8 n PRO 706 Ca 0.14 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 3gm8 n PRO 706 Cb 0.48 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 3gm8 n PRO 706 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 3gm8 n HIS 707 N -1.10 -0.05 -3.19 0.54 -0.00 0.53 -4.89 115.22 107.07 3gm8 n HIS 707 Ca 0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.29 3gm8 n HIS 707 Cb 0.44 0.08 0.00 0.00 -0.12 0.00 0.00 29.99 30.39 3gm8 n HIS 707 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 3gm8 n SER 708 N -1.66 0.00 -4.36 0.26 2.88 -0.93 -1.36 113.62 108.45 3gm8 n SER 708 Ca 0.00 -0.69 -0.25 0.00 -1.33 0.00 0.00 58.87 56.60 3gm8 n SER 708 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 3gm8 n SER 708 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3gm8 s VAL 709 N -2.35 2.03 -0.13 2.46 -7.23 -1.26 -0.79 120.40 113.15 3gm8 s VAL 709 Ca 0.00 -1.86 -0.02 0.00 -1.81 0.00 0.00 61.98 58.29 3gm8 s VAL 709 Cb 0.00 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 35.01 3gm8 s VAL 709 CO 0.00 -0.15 -0.05 0.00 -0.31 0.00 0.00 175.10 174.59 3gm8 s ALA 710 N -1.62 2.99 -0.08 1.32 0.00 0.87 -4.84 121.76 120.39 3gm8 s ALA 710 Ca 0.15 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.28 3gm8 s ALA 710 Cb -0.08 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 3gm8 s ALA 710 CO 0.07 0.34 -0.10 -0.51 0.00 0.00 0.00 175.76 175.56 3gm8 s LEU 711 N -0.04 2.96 -0.04 0.00 1.43 -1.26 -1.48 118.68 120.25 3gm8 s LEU 711 Ca 0.01 -0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 3gm8 s LEU 711 Cb -0.13 -1.64 0.03 0.00 0.03 0.00 0.00 46.19 44.47 3gm8 s LEU 711 CO 0.03 0.30 0.01 0.00 0.23 0.00 0.00 176.35 176.92 3gm8 s ALA 712 N -0.45 0.38 0.05 4.21 0.00 -0.89 -5.00 121.76 120.07 3gm8 s ALA 712 Ca 0.06 0.11 0.08 0.00 0.00 0.00 0.00 51.96 52.20 3gm8 s ALA 712 Cb -0.12 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 3gm8 s ALA 712 CO 0.02 -0.26 -0.19 0.45 0.00 0.00 0.00 175.76 175.79 3gm8 s SER 713 N 1.50 3.77 0.32 0.00 0.15 -1.26 -1.16 113.70 117.02 3gm8 s SER 713 Ca -0.03 -0.46 0.16 0.00 0.70 0.00 0.00 55.95 56.32 3gm8 s SER 713 Cb -0.13 -0.58 0.44 0.00 -1.71 0.00 0.00 66.02 64.04 3gm8 s SER 713 CO -0.03 0.24 1.62 -0.55 1.20 0.00 0.00 173.24 175.72 3gm8 h ASN 714 N 4.41 0.00 -4.69 5.45 -1.07 -1.87 -3.46 115.58 114.35 3gm8 h ASN 714 Ca -0.48 0.00 -0.25 0.00 0.07 0.00 0.00 56.30 55.64 3gm8 h ASN 714 Cb 1.16 0.00 -0.18 0.00 -2.07 0.00 0.00 38.32 37.22 3gm8 h ASN 714 CO 0.47 0.48 -0.72 -0.54 0.07 0.00 0.00 177.43 177.19 3gm8 s LYS 715 N -3.39 0.67 0.00 4.14 1.02 -1.26 -5.03 119.74 115.89 3gm8 s LYS 715 Ca 0.01 -1.02 0.00 0.00 0.02 0.00 0.00 55.97 54.98 3gm8 s LYS 715 Cb 0.10 -0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.15 3gm8 s LYS 715 CO 0.72 0.02 0.78 0.66 -0.92 0.00 0.00 175.35 176.61 3gm8 n TYR 716 N 0.78 0.00 -3.97 3.18 4.01 -1.26 -4.93 117.16 114.97 3gm8 n TYR 716 Ca -0.18 -0.29 -0.11 0.00 -0.16 0.00 0.00 57.90 57.16 3gm8 n TYR 716 Cb 0.57 -0.03 -0.12 0.00 -0.31 0.00 0.00 39.34 39.45 3gm8 n TYR 716 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3gm8 s SER 717 N -0.59 0.26 -0.18 7.72 0.15 -1.25 -2.26 113.70 117.55 3gm8 s SER 717 Ca 0.00 -0.33 -0.12 0.00 0.70 0.00 0.00 55.95 56.19 3gm8 s SER 717 Cb 0.00 0.05 0.06 0.00 -1.71 0.00 0.00 66.02 64.42 3gm8 s SER 717 CO 0.00 -0.18 0.46 -0.69 1.20 0.00 0.00 173.24 174.03 3gm8 s VAL 718 N -0.94 -0.01 0.00 4.45 1.01 -0.57 -4.98 120.40 119.36 3gm8 s VAL 718 Ca -0.09 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 3gm8 s VAL 718 Cb -0.07 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 3gm8 s VAL 718 CO -0.00 0.02 1.19 -0.75 0.00 0.00 0.00 175.10 175.56 3gm8 s LYS 719 N 1.02 4.40 0.46 2.72 2.36 -1.26 -4.33 119.74 125.11 3gm8 s LYS 719 Ca -0.06 1.71 -0.25 0.00 -2.55 0.00 0.00 55.97 54.82 3gm8 s LYS 719 Cb -0.06 -3.45 -0.08 0.00 -1.05 0.00 0.00 37.83 33.18 3gm8 s LYS 719 CO -0.09 -0.34 1.39 0.00 1.55 0.00 0.00 175.35 177.86 3gm8 n ALA 720 N 4.53 1.82 -0.32 3.13 0.00 -1.26 -2.43 120.51 125.98 3gm8 n ALA 720 Ca 0.10 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.77 3gm8 n ALA 720 Cb 0.46 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.55 3gm8 n ALA 720 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gm8 n GLY 721 N 0.65 1.10 2.82 0.00 0.00 0.18 -4.96 105.19 104.98 3gm8 n GLY 721 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 3gm8 n GLY 721 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gm8 n SER 722 N 0.00 -0.84 -0.89 1.61 3.41 -1.02 -4.98 113.62 110.91 3gm8 n SER 722 Ca 0.00 -1.20 0.07 0.00 -0.26 0.00 0.00 58.87 57.49 3gm8 n SER 722 Cb 0.00 -0.77 0.23 0.00 -0.26 0.00 0.00 64.21 63.41 3gm8 n SER 722 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3gm8 n ASP 723 N -4.03 3.61 -4.47 4.04 2.03 -1.26 -4.79 116.55 111.68 3gm8 n ASP 723 Ca 0.12 -2.50 -0.32 0.00 0.52 0.00 0.00 54.79 52.61 3gm8 n ASP 723 Cb 0.45 -0.41 0.14 0.00 -0.72 0.00 0.00 41.12 40.57 3gm8 n ASP 723 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3gm8 n GLU 724 N 0.17 -0.53 -4.33 -0.67 1.02 -1.26 -4.75 120.64 110.29 3gm8 n GLU 724 Ca 0.18 -0.11 -0.21 0.00 -0.02 0.00 0.00 57.16 57.00 3gm8 n GLU 724 Cb 0.69 -1.98 -0.16 0.00 -0.02 0.00 0.00 31.44 29.97 3gm8 n GLU 724 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3gm8 s VAL 725 N -2.44 0.73 -0.25 2.62 1.01 -1.26 -4.54 120.40 116.26 3gm8 s VAL 725 Ca 0.60 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 62.20 3gm8 s VAL 725 Cb -0.21 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 3gm8 s VAL 725 CO 0.65 0.25 0.14 -0.63 0.00 0.00 0.00 175.10 175.52 3gm8 s ILE 726 N 0.57 5.09 -0.29 2.22 1.01 0.19 -4.85 121.20 125.14 3gm8 s ILE 726 Ca -0.09 0.09 -0.05 0.00 0.00 0.00 0.00 60.65 60.60 3gm8 s ILE 726 Cb -0.12 -3.39 0.02 0.00 0.01 0.00 0.00 42.46 38.97 3gm8 s ILE 726 CO 0.01 0.32 0.05 -0.60 0.00 0.00 0.00 174.94 174.72 3gm8 s ARG 727 N 1.34 2.98 -0.20 2.79 3.52 -1.26 -0.36 118.95 127.76 3gm8 s ARG 727 Ca 0.07 -0.92 -0.03 0.00 -0.13 0.00 0.00 55.73 54.72 3gm8 s ARG 727 Cb -0.15 -3.28 -0.01 0.00 -1.56 0.00 0.00 34.95 29.96 3gm8 s ARG 727 CO 0.06 -0.45 -0.08 0.42 -0.81 0.00 0.00 175.30 174.45 3gm8 s ILE 728 N 1.45 3.17 -0.18 4.11 1.09 0.19 -2.41 121.20 128.61 3gm8 s ILE 728 Ca 0.01 -0.57 -0.08 0.00 -1.10 0.00 0.00 60.65 58.91 3gm8 s ILE 728 Cb -0.17 -2.41 -0.04 0.00 -1.06 0.00 0.00 42.46 38.77 3gm8 s ILE 728 CO 0.01 0.45 0.10 -0.70 -0.10 0.00 0.00 174.94 174.70 3gm8 s GLU 729 N 1.27 3.94 -0.13 2.79 2.12 -0.31 -1.35 118.70 127.03 3gm8 s GLU 729 Ca 0.03 -0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.11 3gm8 s GLU 729 Cb -0.14 -3.28 -0.01 0.00 0.26 0.00 0.00 34.13 30.96 3gm8 s GLU 729 CO -0.03 0.39 -0.15 0.42 -0.54 0.00 0.00 175.26 175.34 3gm8 s ILE 730 N 0.08 2.81 -0.12 -3.70 1.01 0.36 -2.09 121.20 119.54 3gm8 s ILE 730 Ca 0.08 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.99 3gm8 s ILE 730 Cb -0.12 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 3gm8 s ILE 730 CO -0.00 0.52 -0.14 -1.81 0.00 0.00 0.00 174.94 173.52 3gm8 s ASP 731 N 0.49 3.97 -0.11 3.58 1.11 -0.55 -1.55 116.67 123.62 3gm8 s ASP 731 Ca -0.10 -0.32 -0.30 0.00 0.18 0.00 0.00 52.55 52.01 3gm8 s ASP 731 Cb -0.16 -1.50 -0.03 0.00 1.07 0.00 0.00 42.92 42.30 3gm8 s ASP 731 CO 0.05 0.19 1.26 -0.63 1.18 0.00 0.00 175.17 177.21 3gm8 s ILE 732 N 0.21 4.22 0.24 0.77 -1.09 -0.74 -0.09 121.20 124.71 3gm8 s ILE 732 Ca -0.09 1.51 0.10 0.00 -2.23 0.00 0.00 60.65 59.95 3gm8 s ILE 732 Cb -0.15 -3.97 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 3gm8 s ILE 732 CO 0.05 -0.07 -0.09 0.42 -1.23 0.00 0.00 174.94 174.02 3gm8 s THR 733 N 2.92 3.06 0.17 2.92 -4.23 0.03 -0.23 115.64 120.29 3gm8 s THR 733 Ca 0.56 -1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 59.08 3gm8 s THR 733 Cb -0.24 -2.59 0.04 0.00 1.34 0.00 0.00 72.50 71.05 3gm8 s THR 733 CO 0.19 -0.29 0.24 -0.90 -0.54 0.00 0.00 174.62 173.31 3gm8 n ASP 734 N -0.49 0.18 0.27 3.99 5.68 0.20 -0.35 116.55 126.02 3gm8 n ASP 734 Ca -0.08 -1.19 0.12 0.00 -0.50 0.00 0.00 54.79 53.15 3gm8 n ASP 734 Cb 0.58 -0.17 0.74 0.00 -1.14 0.00 0.00 41.12 41.13 3gm8 n ASP 734 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3gm8 h LYS 735 N 0.00 0.00 -0.43 0.11 2.10 -1.90 -1.28 116.57 115.17 3gm8 h LYS 735 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 3gm8 h LYS 735 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 3gm8 h LYS 735 CO 0.07 0.10 0.00 0.09 -2.00 0.00 0.00 179.45 177.71 3gm8 n ASN 736 N -3.77 2.53 0.00 7.07 3.02 -1.26 -4.96 115.26 117.89 3gm8 n ASN 736 Ca -0.02 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 3gm8 n ASN 736 Cb 0.20 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 3gm8 n ASN 736 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gm8 n GLY 737 N 1.27 0.55 3.69 7.41 0.00 -0.48 -5.03 105.19 112.59 3gm8 n GLY 737 Ca 0.16 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3gm8 n GLY 737 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gm8 s ILE 738 N -2.00 4.17 0.40 -0.61 -1.09 -1.26 -4.72 121.20 116.09 3gm8 s ILE 738 Ca 0.00 1.50 -0.26 0.00 -2.23 0.00 0.00 60.65 59.66 3gm8 s ILE 738 Cb 0.00 -3.97 -0.10 0.00 -1.58 0.00 0.00 42.46 36.81 3gm8 s ILE 738 CO 0.00 -0.01 1.33 -2.65 -1.23 0.00 0.00 174.94 172.38 3gm8 n PRO 739 N 5.27 2.13 -3.29 2.79 -0.02 -1.26 -0.63 135.00 139.99 3gm8 n PRO 739 Ca 0.11 0.75 -0.44 0.00 -2.02 0.00 0.00 63.50 61.91 3gm8 n PRO 739 Cb 0.46 -2.44 -0.07 0.00 -0.02 0.00 0.00 33.50 31.42 3gm8 n PRO 739 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gm8 n PRO 741 N 5.64 0.05 -0.15 0.00 -0.02 -1.26 -2.43 135.00 136.84 3gm8 n PRO 741 Ca -0.09 0.21 0.06 0.00 -2.02 0.00 0.00 63.50 61.66 3gm8 n PRO 741 Cb 0.45 -1.50 0.14 0.00 -0.02 0.00 0.00 33.50 32.57 3gm8 n PRO 741 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3gm8 n TYR 742 N -1.45 0.39 -2.39 6.00 4.01 -1.26 -3.64 117.16 118.82 3gm8 n TYR 742 Ca 0.05 -0.38 -0.41 0.00 -0.16 0.00 0.00 57.90 57.00 3gm8 n TYR 742 Cb 0.17 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.15 3gm8 n TYR 742 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gm8 s ALA 743 N -1.00 3.43 -0.08 -0.72 0.00 -1.02 -4.69 121.76 117.68 3gm8 s ALA 743 Ca 0.23 0.96 0.20 0.00 0.00 0.00 0.00 51.96 53.35 3gm8 s ALA 743 Cb 0.13 -3.39 0.43 0.00 0.00 0.00 0.00 23.12 20.29 3gm8 s ALA 743 CO 0.17 -0.32 1.19 -1.13 0.00 0.00 0.00 175.76 175.67 3gm8 n SER 744 N 1.83 1.30 -4.74 0.00 3.41 -1.26 -0.65 113.62 113.50 3gm8 n SER 744 Ca 0.02 -2.72 -0.42 0.00 -0.26 0.00 0.00 58.87 55.49 3gm8 n SER 744 Cb 0.44 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 63.99 3gm8 n SER 744 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3gm8 n ASN 745 N -0.13 3.84 -4.70 4.04 3.02 -1.26 -3.91 115.26 116.15 3gm8 n ASN 745 Ca 0.11 1.15 -0.42 0.00 -0.03 0.00 0.00 54.58 55.39 3gm8 n ASN 745 Cb 0.97 -1.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.52 3gm8 n ASN 745 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3gm8 s GLU 746 N -0.51 4.36 0.29 3.52 2.12 -1.26 -1.56 118.70 125.66 3gm8 s GLU 746 Ca 0.64 1.87 0.10 0.00 0.36 0.00 0.00 54.97 57.94 3gm8 s GLU 746 Cb -0.50 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.42 3gm8 s GLU 746 CO 0.49 -0.41 -0.07 -0.51 -0.54 0.00 0.00 175.26 174.22 3gm8 s LEU 747 N 1.60 2.92 -0.01 2.70 1.43 0.61 -4.45 118.68 123.49 3gm8 s LEU 747 Ca 0.61 -0.87 0.04 0.00 -1.03 0.00 0.00 54.13 52.87 3gm8 s LEU 747 Cb -0.31 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 3gm8 s LEU 747 CO 0.27 -0.05 -0.12 -0.44 0.23 0.00 0.00 176.35 176.25 3gm8 s SER 748 N -3.63 1.39 -0.03 2.29 0.01 -0.16 -2.07 113.70 111.50 3gm8 s SER 748 Ca 0.32 -0.22 0.05 0.00 1.31 0.00 0.00 55.95 57.41 3gm8 s SER 748 Cb -0.04 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 65.97 3gm8 s SER 748 CO 0.18 0.14 -0.18 -0.36 0.41 0.00 0.00 173.24 173.43 3gm8 s PHE 749 N -0.21 2.58 -0.08 2.43 0.08 -0.33 -1.58 117.98 120.87 3gm8 s PHE 749 Ca 0.03 -0.24 -0.02 0.00 0.12 0.00 0.00 56.93 56.82 3gm8 s PHE 749 Cb -0.05 -1.58 0.03 0.00 -0.57 0.00 0.00 43.02 40.85 3gm8 s PHE 749 CO -0.00 0.13 0.03 -1.01 -0.10 0.00 0.00 175.22 174.27 3gm8 s HIS 750 N -0.72 0.47 -0.08 0.36 3.76 -0.34 -4.85 115.29 113.90 3gm8 s HIS 750 Ca 0.11 -0.10 0.03 0.00 -0.15 0.00 0.00 55.06 54.95 3gm8 s HIS 750 Cb -0.10 -0.71 -0.02 0.00 1.11 0.00 0.00 32.58 32.86 3gm8 s HIS 750 CO 0.01 -0.32 -0.16 0.14 -0.85 0.00 0.00 174.74 173.55 3gm8 s VAL 751 N 2.04 2.82 0.20 -0.90 -7.23 -1.26 0.53 120.40 116.61 3gm8 s VAL 751 Ca 0.04 -0.78 0.05 0.00 -1.81 0.00 0.00 61.98 59.48 3gm8 s VAL 751 Cb -0.13 -2.12 -0.05 0.00 0.56 0.00 0.00 36.38 34.64 3gm8 s VAL 751 CO -0.05 0.56 -0.08 -0.94 -0.31 0.00 0.00 175.10 174.28 3gm8 s SER 752 N -0.20 2.12 0.00 4.85 1.04 0.01 -4.99 113.70 116.52 3gm8 s SER 752 Ca -0.00 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.33 3gm8 s SER 752 Cb -0.13 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.93 3gm8 s SER 752 CO 0.03 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.51 3gm8 n GLY 753 N -0.36 -1.67 2.91 7.32 0.00 -1.26 -1.31 105.19 110.82 3gm8 n GLY 753 Ca -0.08 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 3gm8 n GLY 753 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gm8 n PRO 754 N 0.00 3.97 -4.02 1.61 -0.04 -1.26 -4.92 135.00 130.34 3gm8 n PRO 754 Ca 0.00 -3.93 -0.10 0.00 -0.04 0.00 0.00 63.50 59.43 3gm8 n PRO 754 Cb 0.00 -2.76 -0.11 0.00 -0.04 0.00 0.00 33.50 30.59 3gm8 n PRO 754 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3gm8 s LEU 755 N -1.21 2.30 0.04 1.53 1.43 -1.26 -2.21 118.68 119.29 3gm8 s LEU 755 Ca 0.36 -0.61 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 3gm8 s LEU 755 Cb 0.08 0.05 -0.02 0.00 0.03 0.00 0.00 46.19 46.33 3gm8 s LEU 755 CO 0.05 -0.33 -0.09 -0.13 0.23 0.00 0.00 176.35 176.07 3gm8 s ARG 756 N -1.98 0.63 0.13 1.70 0.52 0.16 -4.76 118.95 115.34 3gm8 s ARG 756 Ca -0.10 -0.67 -0.24 0.00 -0.52 0.00 0.00 55.73 54.20 3gm8 s ARG 756 Cb -0.06 -0.51 -0.07 0.00 0.52 0.00 0.00 34.95 34.82 3gm8 s ARG 756 CO -0.02 0.12 0.74 -1.17 0.02 0.00 0.00 175.30 174.98 3gm8 s LEU 757 N -1.22 4.56 -0.14 2.53 2.96 -1.26 -0.96 118.68 125.15 3gm8 s LEU 757 Ca -0.04 1.55 -0.03 0.00 -0.22 0.00 0.00 54.13 55.38 3gm8 s LEU 757 Cb -0.08 -3.22 -0.07 0.00 0.50 0.00 0.00 46.19 43.32 3gm8 s LEU 757 CO 0.01 0.18 -0.15 -0.11 -1.32 0.00 0.00 176.35 174.96 3gm8 n LEU 758 N 1.86 1.91 -3.61 -0.68 7.94 0.50 -4.84 117.00 120.07 3gm8 n LEU 758 Ca -0.06 0.06 0.02 0.00 -1.11 0.00 0.00 56.01 54.93 3gm8 n LEU 758 Cb 0.49 -0.43 -0.00 0.00 0.53 0.00 0.00 43.42 44.01 3gm8 n LEU 758 CO 0.46 0.49 1.12 -0.83 -1.11 0.00 0.00 177.39 177.51 3gm8 s GLY 759 N -5.26 -0.43 0.10 -3.96 0.00 -1.16 -4.66 107.32 91.95 3gm8 s GLY 759 Ca -0.19 0.76 0.05 0.00 0.00 0.00 0.00 44.72 45.34 3gm8 s GLY 759 CO 0.27 0.38 -0.13 -1.34 0.00 0.00 0.00 173.10 172.28 3gm8 s VAL 760 N -2.28 1.16 -0.07 1.40 -7.23 -0.87 -0.53 120.40 111.98 3gm8 s VAL 760 Ca 0.15 -1.59 -0.29 0.00 -1.81 0.00 0.00 61.98 58.43 3gm8 s VAL 760 Cb 0.06 -1.36 0.11 0.00 0.56 0.00 0.00 36.38 35.74 3gm8 s VAL 760 CO -0.05 -0.41 0.89 -0.62 -0.31 0.00 0.00 175.10 174.60 3gm8 s ASP 761 N -2.28 -0.42 0.00 4.85 3.68 -0.16 -4.78 116.67 117.56 3gm8 s ASP 761 Ca 0.05 0.28 0.00 0.00 2.13 0.00 0.00 52.55 55.02 3gm8 s ASP 761 Cb -0.06 0.39 -0.00 0.00 -1.45 0.00 0.00 42.92 41.80 3gm8 s ASP 761 CO 0.02 -0.52 0.05 -0.46 0.13 0.00 0.00 175.17 174.39 3gm8 n ASN 762 N 0.34 0.09 0.00 -0.34 0.23 -1.26 0.20 115.26 114.51 3gm8 n ASN 762 Ca -0.11 -0.55 0.00 0.00 -0.53 0.00 0.00 54.58 53.39 3gm8 n ASN 762 Cb 0.60 0.93 0.00 0.00 -2.08 0.00 0.00 39.78 39.22 3gm8 n ASN 762 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gm8 n GLY 763 N 0.93 1.04 3.60 4.83 0.00 -1.26 -4.34 105.19 110.00 3gm8 n GLY 763 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3gm8 n GLY 763 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gm8 s ASN 764 N -3.05 6.27 0.41 1.61 3.84 -1.26 -4.66 114.94 118.10 3gm8 s ASN 764 Ca 0.00 0.93 0.29 0.00 0.21 0.00 0.00 52.86 54.29 3gm8 s ASN 764 Cb 0.00 -2.54 1.42 0.00 -0.55 0.00 0.00 41.25 39.58 3gm8 s ASN 764 CO 0.00 -1.47 1.88 1.55 -2.79 0.00 0.00 177.10 176.27 3gm8 h PRO 765 N 11.04 0.00 -0.28 0.43 0.13 -1.94 -2.55 132.00 138.83 3gm8 h PRO 765 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3gm8 h PRO 765 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3gm8 h PRO 765 CO 1.07 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 179.09 3gm8 n THR 766 N -2.56 2.13 -3.89 1.56 -2.24 -1.26 -0.06 114.28 107.96 3gm8 n THR 766 Ca -0.00 -1.75 -0.35 0.00 -2.27 0.00 0.00 64.05 59.67 3gm8 n THR 766 Cb 0.14 -0.16 -0.14 0.00 -2.10 0.00 0.00 70.33 68.08 3gm8 n THR 766 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gm8 s ASP 767 N -1.79 4.44 -0.21 3.42 3.68 -0.96 -4.91 116.67 120.35 3gm8 s ASP 767 Ca 0.40 -0.52 -0.04 0.00 2.13 0.00 0.00 52.55 54.52 3gm8 s ASP 767 Cb 0.31 -1.75 -0.01 0.00 -1.45 0.00 0.00 42.92 40.02 3gm8 s ASP 767 CO 0.10 -0.07 -0.04 -0.04 0.13 0.00 0.00 175.17 175.26 3gm8 s MET 768 N 1.46 3.45 0.07 4.34 -1.94 -1.26 -4.92 119.30 120.49 3gm8 s MET 768 Ca 0.04 -0.60 -0.26 0.00 -1.71 0.00 0.00 55.69 53.16 3gm8 s MET 768 Cb -0.15 -2.99 0.07 0.00 2.01 0.00 0.00 34.83 33.77 3gm8 s MET 768 CO -0.03 -0.10 0.63 -0.59 -0.01 0.00 0.00 175.02 174.93 3gm8 s PHE 769 N 1.23 -0.59 -0.15 -0.03 -0.12 -1.26 -5.03 117.98 112.03 3gm8 s PHE 769 Ca 0.03 0.68 -0.29 0.00 -0.05 0.00 0.00 56.93 57.29 3gm8 s PHE 769 Cb -0.14 0.49 -0.03 0.00 -0.63 0.00 0.00 43.02 42.70 3gm8 s PHE 769 CO -0.01 -0.74 1.55 -2.14 -0.05 0.00 0.00 175.22 173.83 3gm8 s PRO 770 N -2.61 4.02 0.47 1.99 0.02 -1.26 -4.89 135.00 132.73 3gm8 s PRO 770 Ca -0.04 1.83 0.23 0.00 0.02 0.00 0.00 61.00 63.03 3gm8 s PRO 770 Cb -0.01 -3.96 1.17 0.00 0.02 0.00 0.00 34.50 31.72 3gm8 s PRO 770 CO -0.03 -1.01 1.97 1.88 -0.33 0.00 0.00 177.00 179.48 3gm8 h TYR 771 N 9.75 0.00 -0.57 6.54 0.05 -1.86 -3.19 116.97 127.69 3gm8 h TYR 771 Ca -0.34 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.33 3gm8 h TYR 771 Cb 1.15 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.82 3gm8 h TYR 771 CO 0.88 0.20 0.12 1.04 -1.05 0.00 0.00 178.16 179.35 3gm8 n GLN 772 N -3.75 3.75 -4.47 4.88 3.00 -1.26 -2.04 117.38 117.49 3gm8 n GLN 772 Ca -0.02 -3.07 -0.32 0.00 -0.01 0.00 0.00 57.00 53.58 3gm8 n GLN 772 Cb 0.31 -2.13 -0.11 0.00 0.00 0.00 0.00 30.24 28.31 3gm8 n GLN 772 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 3gm8 s GLN 773 N -2.93 2.46 -0.10 -1.09 -1.52 -1.21 -4.97 119.66 110.31 3gm8 s GLN 773 Ca 0.52 -0.78 -0.05 0.00 -1.95 0.00 0.00 55.36 53.11 3gm8 s GLN 773 Cb 0.41 -2.45 -0.15 0.00 -0.22 0.00 0.00 33.01 30.61 3gm8 s GLN 773 CO 0.12 0.59 3.17 -0.35 -0.25 0.00 0.00 175.29 178.57 3gm8 n PRO 774 N 1.49 1.92 -4.44 2.91 -0.04 -1.26 -4.75 135.00 130.83 3gm8 n PRO 774 Ca -0.15 -1.13 -0.21 0.00 -0.04 0.00 0.00 63.50 61.97 3gm8 n PRO 774 Cb 0.52 -1.86 -0.14 0.00 -0.04 0.00 0.00 33.50 31.98 3gm8 n PRO 774 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3gm8 s HIS 775 N 0.24 1.29 -0.28 0.54 3.76 -1.26 -1.19 115.29 118.39 3gm8 s HIS 775 Ca 0.54 -0.33 -0.22 0.00 -0.15 0.00 0.00 55.06 54.90 3gm8 s HIS 775 Cb 0.28 -0.78 0.10 0.00 1.11 0.00 0.00 32.58 33.29 3gm8 s HIS 775 CO -0.04 0.03 0.84 0.00 -0.85 0.00 0.00 174.74 174.72 3gm8 s ARG 777 N 0.70 4.29 0.63 0.00 0.52 -1.26 -0.29 118.95 123.54 3gm8 s ARG 777 Ca -0.02 1.44 -0.12 0.00 -0.52 0.00 0.00 55.73 56.51 3gm8 s ARG 777 Cb -0.05 -2.59 -0.03 0.00 0.52 0.00 0.00 34.95 32.80 3gm8 s ARG 777 CO -0.07 -0.02 1.04 0.00 0.02 0.00 0.00 175.30 176.27 3gm8 s PHE 779 N -3.02 1.43 -1.32 0.00 5.36 -0.12 -4.33 117.98 115.97 3gm8 s PHE 779 Ca 0.57 -0.62 -0.13 0.00 -0.96 0.00 0.00 56.93 55.79 3gm8 s PHE 779 Cb -0.12 -1.13 0.02 0.00 -0.34 0.00 0.00 43.02 41.45 3gm8 s PHE 779 CO 0.50 -0.39 0.25 0.54 -1.46 0.00 0.00 175.22 174.66 3gm8 n ARG 780 N 4.40 -0.66 -0.25 10.12 5.12 -1.21 -1.73 116.66 132.46 3gm8 n ARG 780 Ca -0.18 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 3gm8 n ARG 780 Cb 0.51 -2.88 0.00 0.00 -1.16 0.00 0.00 32.46 28.93 3gm8 n ARG 780 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gm8 n GLY 781 N -2.30 1.05 3.11 -0.13 0.00 0.17 -4.67 105.19 102.42 3gm8 n GLY 781 Ca -0.23 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 3gm8 n GLY 781 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gm8 s LYS 782 N -0.53 0.67 0.30 1.61 1.02 -0.70 -1.80 119.74 120.30 3gm8 s LYS 782 Ca 0.00 -1.25 -0.17 0.00 0.02 0.00 0.00 55.97 54.57 3gm8 s LYS 782 Cb 0.00 0.09 0.02 0.00 -0.52 0.00 0.00 37.83 37.42 3gm8 s LYS 782 CO 0.00 -0.08 0.67 0.00 -0.92 0.00 0.00 175.35 175.01 3gm8 s VAL 784 N -3.59 0.52 -0.03 0.00 1.01 0.13 -0.49 120.40 117.95 3gm8 s VAL 784 Ca 0.15 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 61.96 3gm8 s VAL 784 Cb -0.04 -0.47 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 3gm8 s VAL 784 CO 0.09 0.17 -0.21 -0.69 0.00 0.00 0.00 175.10 174.46 3gm8 s VAL 785 N 0.13 1.70 -0.20 2.92 1.01 -0.46 -0.99 120.40 124.52 3gm8 s VAL 785 Ca -0.01 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 3gm8 s VAL 785 Cb -0.06 -1.43 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 3gm8 s VAL 785 CO -0.00 0.48 -0.08 -0.76 0.00 0.00 0.00 175.10 174.74 3gm8 s LEU 786 N -0.29 2.75 0.07 3.92 1.43 0.31 -0.64 118.68 126.23 3gm8 s LEU 786 Ca 0.03 -0.42 0.08 0.00 -1.03 0.00 0.00 54.13 52.79 3gm8 s LEU 786 Cb -0.10 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 3gm8 s LEU 786 CO 0.01 0.01 -0.20 -0.76 0.23 0.00 0.00 176.35 175.64 3gm8 s LEU 787 N 1.26 2.54 0.18 1.79 1.43 0.51 -0.37 118.68 126.02 3gm8 s LEU 787 Ca 0.03 -0.53 0.10 0.00 -1.03 0.00 0.00 54.13 52.70 3gm8 s LEU 787 Cb -0.14 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 3gm8 s LEU 787 CO -0.03 0.22 -0.20 -1.10 0.23 0.00 0.00 176.35 175.47 3gm8 s GLN 788 N -1.69 1.37 0.53 1.70 -0.21 -0.13 0.54 119.66 121.78 3gm8 s GLN 788 Ca 0.15 -1.46 -0.21 0.00 0.02 0.00 0.00 55.36 53.86 3gm8 s GLN 788 Cb -0.10 -1.53 -0.06 0.00 1.00 0.00 0.00 33.01 32.32 3gm8 s GLN 788 CO 0.06 0.32 1.22 -1.54 -2.12 0.00 0.00 175.29 173.23 3gm8 s SER 789 N -2.70 5.63 0.40 5.90 1.04 -1.26 0.37 113.70 123.08 3gm8 s SER 789 Ca 0.18 2.44 0.00 0.00 0.48 0.00 0.00 55.95 59.05 3gm8 s SER 789 Cb -0.06 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.45 3gm8 s SER 789 CO 0.08 -1.30 0.00 -0.90 0.98 0.00 0.00 173.24 172.10 3gm8 n ASP 790 N -1.00 0.00 0.18 7.02 5.68 -0.94 -4.44 116.55 123.05 3gm8 n ASP 790 Ca 0.10 -0.54 0.03 0.00 -0.50 0.00 0.00 54.79 53.88 3gm8 n ASP 790 Cb 0.48 0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.78 3gm8 n ASP 790 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3gm8 h GLU 791 N 0.00 0.00 -6.65 0.11 5.08 -1.93 0.53 114.58 111.71 3gm8 h GLU 791 Ca 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 3gm8 h GLU 791 Cb 0.00 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.04 3gm8 h GLU 791 CO 0.00 0.43 -0.81 -1.83 -1.00 0.00 0.00 179.01 175.80 3gm8 s GLU 792 N -3.88 1.92 1.14 2.33 1.03 -1.26 -4.08 118.70 115.91 3gm8 s GLU 792 Ca -0.02 -1.08 -0.14 0.00 0.03 0.00 0.00 54.97 53.77 3gm8 s GLU 792 Cb 0.13 -2.13 0.27 0.00 -0.80 0.00 0.00 34.13 31.59 3gm8 s GLU 792 CO 0.72 0.51 1.05 0.15 -1.33 0.00 0.00 175.26 176.36 3gm8 s LYS 793 N -1.69 -0.75 0.00 -4.83 3.01 -1.26 -4.71 119.74 109.51 3gm8 s LYS 793 Ca 0.15 0.56 0.00 0.00 -1.01 0.00 0.00 55.97 55.68 3gm8 s LYS 793 Cb -0.10 -1.60 0.00 0.00 -1.01 0.00 0.00 37.83 35.12 3gm8 s LYS 793 CO 0.07 -3.54 0.00 0.41 0.51 0.00 0.00 175.35 172.80 3gm8 n GLY 794 N 0.06 0.99 3.51 -3.33 0.00 -1.26 -4.85 105.19 100.31 3gm8 n GLY 794 Ca 0.05 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.79 3gm8 n GLY 794 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gm8 s LYS 795 N -1.45 3.29 -0.05 1.61 2.36 -1.26 -1.75 119.74 122.49 3gm8 s LYS 795 Ca 0.00 -0.56 0.04 0.00 -2.55 0.00 0.00 55.97 52.91 3gm8 s LYS 795 Cb 0.00 -2.75 -0.02 0.00 -1.05 0.00 0.00 37.83 34.01 3gm8 s LYS 795 CO 0.00 0.39 -0.18 0.20 1.55 0.00 0.00 175.35 177.31 3gm8 s GLY 796 N -0.06 1.44 -0.11 5.54 0.00 -0.25 -4.25 107.32 109.62 3gm8 s GLY 796 Ca 0.01 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.72 3gm8 s GLY 796 CO 0.03 -0.71 -0.09 -1.59 0.00 0.00 0.00 173.10 170.73 3gm8 s THR 797 N -0.49 1.13 -0.15 0.90 2.01 -0.43 0.11 115.64 118.73 3gm8 s THR 797 Ca 0.06 -0.37 -0.11 0.00 0.31 0.00 0.00 61.69 61.58 3gm8 s THR 797 Cb -0.12 -1.12 -0.05 0.00 0.01 0.00 0.00 72.50 71.23 3gm8 s THR 797 CO 0.01 0.38 0.21 -0.22 -0.69 0.00 0.00 174.62 174.31 3gm8 s LEU 798 N 1.54 4.28 -0.07 4.42 2.96 -0.53 -0.81 118.68 130.47 3gm8 s LEU 798 Ca 0.03 0.44 0.04 0.00 -0.22 0.00 0.00 54.13 54.41 3gm8 s LEU 798 Cb -0.13 -2.22 -0.01 0.00 0.50 0.00 0.00 46.19 44.33 3gm8 s LEU 798 CO -0.07 0.22 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.08 3gm8 s THR 799 N -0.04 2.43 -0.12 3.68 2.01 0.19 -1.11 115.64 122.68 3gm8 s THR 799 Ca 0.14 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.23 3gm8 s THR 799 Cb -0.12 -1.93 -0.01 0.00 0.01 0.00 0.00 72.50 70.44 3gm8 s THR 799 CO 0.03 0.56 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.67 3gm8 s VAL 800 N -0.11 2.77 0.11 3.82 1.01 -0.71 -1.20 120.40 126.08 3gm8 s VAL 800 Ca -0.04 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3gm8 s VAL 800 Cb -0.14 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3gm8 s VAL 800 CO 0.04 0.53 -0.07 -1.10 0.00 0.00 0.00 175.10 174.50 3gm8 s GLN 801 N 0.35 0.88 0.00 2.72 -0.21 -0.61 -2.65 119.66 120.14 3gm8 s GLN 801 Ca -0.13 -1.36 -0.28 0.00 0.02 0.00 0.00 55.36 53.61 3gm8 s GLN 801 Cb -0.17 -0.30 0.10 0.00 1.00 0.00 0.00 33.01 33.64 3gm8 s GLN 801 CO 0.07 0.00 0.82 0.20 -2.12 0.00 0.00 175.29 174.26 3gm8 s GLY 802 N -3.06 -0.48 0.11 3.09 0.00 -1.26 -0.99 107.32 104.73 3gm8 s GLY 802 Ca 0.13 1.09 -0.31 0.00 0.00 0.00 0.00 44.72 45.63 3gm8 s GLY 802 CO -0.04 0.47 1.72 -1.59 0.00 0.00 0.00 173.10 173.66 3gm8 s THR 803 N -2.75 2.75 -1.27 0.90 2.01 -1.26 -2.17 115.64 113.85 3gm8 s THR 803 Ca 0.02 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.30 3gm8 s THR 803 Cb -0.01 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.32 3gm8 s THR 803 CO -0.06 0.00 0.00 0.29 -0.69 0.00 0.00 174.62 174.16 3gm8 n LYS 804 N 5.42 -0.89 -4.36 4.92 4.76 -1.26 -5.01 118.16 121.74 3gm8 n LYS 804 Ca 0.16 0.88 -0.29 0.00 -2.87 0.00 0.00 58.31 56.19 3gm8 n LYS 804 Cb 0.39 -4.93 -0.12 0.00 -1.84 0.00 0.00 35.03 28.53 3gm8 n LYS 804 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3gm8 s LEU 805 N -2.96 2.50 -0.14 -0.35 1.43 -0.92 -4.73 118.68 113.52 3gm8 s LEU 805 Ca 0.00 -0.70 -0.26 0.00 -1.03 0.00 0.00 54.13 52.14 3gm8 s LEU 805 Cb 0.00 -1.34 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 3gm8 s LEU 805 CO 0.00 0.16 0.85 -0.69 0.23 0.00 0.00 176.35 176.90 3gm8 s VAL 806 N -1.23 4.89 0.86 -1.59 1.01 -0.46 -4.58 120.40 119.29 3gm8 s VAL 806 Ca 0.17 1.69 -0.12 0.00 0.00 0.00 0.00 61.98 63.72 3gm8 s VAL 806 Cb -0.10 -4.16 0.11 0.00 0.00 0.00 0.00 36.38 32.23 3gm8 s VAL 806 CO 0.09 0.06 1.12 -1.84 0.00 0.00 0.00 175.10 174.53 3gm8 n GLU 807 N 4.92 -0.12 -4.08 2.72 0.28 -1.26 -4.04 120.64 119.07 3gm8 n GLU 807 Ca 0.04 0.04 -0.12 0.00 -0.16 0.00 0.00 57.16 56.97 3gm8 n GLU 807 Cb 0.49 -2.37 -0.11 0.00 1.43 0.00 0.00 31.44 30.89 3gm8 n GLU 807 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 3gm8 s LYS 808 N -4.27 0.57 0.13 3.44 -0.14 -1.08 -4.90 119.74 113.49 3gm8 s LYS 808 Ca 0.70 -0.89 0.10 0.00 -1.36 0.00 0.00 55.97 54.52 3gm8 s LYS 808 Cb -0.26 -0.20 -0.04 0.00 -1.68 0.00 0.00 37.83 35.65 3gm8 s LYS 808 CO 0.55 0.02 -0.23 0.15 -0.76 0.00 0.00 175.35 175.07 3gm8 s LYS 809 N -2.16 1.55 -0.05 1.68 1.02 -1.26 -1.74 119.74 118.78 3gm8 s LYS 809 Ca -0.05 -1.31 -0.02 0.00 0.02 0.00 0.00 55.97 54.62 3gm8 s LYS 809 Cb -0.06 -1.97 0.04 0.00 -0.52 0.00 0.00 37.83 35.31 3gm8 s LYS 809 CO -0.01 0.46 0.09 -1.17 -0.92 0.00 0.00 175.35 173.79 3gm8 s LEU 810 N -2.15 0.68 -0.15 3.17 0.20 -0.27 -5.00 118.68 115.16 3gm8 s LEU 810 Ca 0.16 0.17 -0.11 0.00 0.69 0.00 0.00 54.13 55.04 3gm8 s LEU 810 Cb -0.10 0.11 -0.05 0.00 -0.43 0.00 0.00 46.19 45.73 3gm8 s LEU 810 CO 0.08 -0.17 0.21 -0.63 -0.29 0.00 0.00 176.35 175.55 3gm8 s ILE 811 N 1.42 5.36 -0.24 6.68 1.01 -1.26 -1.45 121.20 132.73 3gm8 s ILE 811 Ca -0.06 0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.98 3gm8 s ILE 811 Cb -0.12 -3.53 0.06 0.00 0.01 0.00 0.00 42.46 38.88 3gm8 s ILE 811 CO -0.04 0.48 -0.07 -0.63 0.00 0.00 0.00 174.94 174.68 3gm8 s ILE 812 N -0.09 1.68 0.15 2.92 1.01 0.12 -4.91 121.20 122.08 3gm8 s ILE 812 Ca 0.14 -1.28 -0.31 0.00 0.00 0.00 0.00 60.65 59.19 3gm8 s ILE 812 Cb -0.12 -1.89 -0.10 0.00 0.01 0.00 0.00 42.46 40.36 3gm8 s ILE 812 CO 0.03 -0.05 1.64 -1.83 0.00 0.00 0.00 174.94 174.72 3gm8 s GLU 813 N 1.33 4.19 0.00 2.79 4.04 -0.96 -1.09 118.70 129.00 3gm8 s GLU 813 Ca -0.06 2.42 0.17 0.00 0.04 0.00 0.00 54.97 57.54 3gm8 s GLU 813 Cb -0.19 -3.26 0.13 0.00 0.02 0.00 0.00 34.13 30.83 3gm8 s GLU 813 CO -0.06 -0.68 1.03 0.28 -1.84 0.00 0.00 175.26 173.99