#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g0b s LYS 41 N 0.00 2.98 0.43 -0.14 -2.85 -1.22 -4.78 119.74 114.15 3g0b s LYS 41 Ca 0.00 1.08 0.08 0.00 -1.00 0.00 0.00 55.97 56.13 3g0b s LYS 41 Cb 0.00 -1.99 -0.01 0.00 -2.06 0.00 0.00 37.83 33.77 3g0b s LYS 41 CO 0.00 -1.07 0.41 0.95 0.10 0.00 0.00 175.35 175.74 3g0b s THR 42 N -2.81 2.63 -0.43 3.79 -4.23 -1.26 0.03 115.64 113.37 3g0b s THR 42 Ca 0.61 -1.31 -0.23 0.00 -1.18 0.00 0.00 61.69 59.58 3g0b s THR 42 Cb -0.15 -2.94 0.02 0.00 1.34 0.00 0.00 72.50 70.77 3g0b s THR 42 CO 0.49 0.00 0.78 -0.47 -0.54 0.00 0.00 174.62 174.88 3g0b s TYR 43 N -2.48 3.03 0.59 3.99 5.04 -1.26 -4.86 117.35 121.39 3g0b s TYR 43 Ca 0.49 0.27 0.01 0.00 -2.44 0.00 0.00 57.07 55.40 3g0b s TYR 43 Cb -0.04 -3.58 0.05 0.00 0.35 0.00 0.00 41.96 38.74 3g0b s TYR 43 CO 0.28 -0.91 0.82 0.95 -1.34 0.00 0.00 175.55 175.35 3g0b s THR 44 N 3.23 2.54 0.17 4.34 -4.23 -1.26 -3.88 115.64 116.54 3g0b s THR 44 Ca 0.30 -0.65 -0.14 0.00 -1.18 0.00 0.00 61.69 60.02 3g0b s THR 44 Cb -0.12 -2.89 0.05 0.00 1.34 0.00 0.00 72.50 70.88 3g0b s THR 44 CO 0.21 0.00 1.80 0.25 -0.54 0.00 0.00 174.62 176.34 3g0b h LEU 45 N -0.05 0.61 -1.01 4.79 5.85 -1.96 -2.16 115.31 121.38 3g0b h LEU 45 Ca -0.41 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.30 3g0b h LEU 45 Cb 1.29 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.11 3g0b h LEU 45 CO 0.50 0.49 0.66 0.74 -0.34 0.00 0.00 178.44 180.48 3g0b h THR 46 N 0.68 1.15 -0.16 1.05 2.02 -1.97 0.31 112.91 115.99 3g0b h THR 46 Ca 0.18 -0.43 0.05 0.00 0.77 0.00 0.00 66.41 66.98 3g0b h THR 46 Cb -0.01 -0.21 -0.05 0.00 -1.74 0.00 0.00 68.15 66.14 3g0b h THR 46 CO -0.03 0.23 -0.16 0.44 0.37 0.00 0.00 175.52 176.36 3g0b h ASP 47 N 1.25 -0.51 -0.10 4.18 3.32 -1.83 0.42 116.42 123.15 3g0b h ASP 47 Ca 0.41 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.56 3g0b h ASP 47 Cb 0.05 0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 3g0b h ASP 47 CO -0.14 -0.21 0.07 0.22 -1.72 0.00 0.00 179.24 177.46 3g0b h TYR 48 N -0.19 0.13 -0.46 4.55 3.20 -0.84 -1.55 116.97 121.81 3g0b h TYR 48 Ca 0.10 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.87 3g0b h TYR 48 Cb 0.34 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 3g0b h TYR 48 CO -0.29 0.08 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.08 3g0b h LEU 49 N 0.13 0.88 -2.55 2.82 3.38 0.03 -3.14 115.31 116.86 3g0b h LEU 49 Ca 0.04 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3g0b h LEU 49 Cb -0.01 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3g0b h LEU 49 CO -0.01 1.03 0.00 0.29 0.09 0.00 0.00 178.44 179.85 3g0b n LYS 50 N -4.13 2.62 -3.87 1.13 4.01 0.14 -4.99 118.16 113.07 3g0b n LYS 50 Ca 0.01 -2.48 -0.27 0.00 -0.51 0.00 0.00 58.31 55.06 3g0b n LYS 50 Cb 0.41 -1.54 -0.00 0.00 -0.51 0.00 0.00 35.03 33.39 3g0b n LYS 50 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3g0b n ASN 51 N 1.56 -1.52 -0.26 4.39 5.03 -0.65 -4.89 115.26 118.93 3g0b n ASN 51 Ca 0.22 -1.00 -0.03 0.00 0.87 0.00 0.00 54.58 54.64 3g0b n ASN 51 Cb 0.61 -3.19 0.08 0.00 -1.02 0.00 0.00 39.78 36.26 3g0b n ASN 51 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.26 176.17 3g0b h THR 52 N -1.87 1.10 -3.44 3.41 2.02 -1.65 -3.37 112.91 109.11 3g0b h THR 52 Ca -0.64 -0.30 -0.70 0.00 0.77 0.00 0.00 66.41 65.53 3g0b h THR 52 Cb 1.37 0.14 -0.33 0.00 -1.74 0.00 0.00 68.15 67.59 3g0b h THR 52 CO 0.58 0.16 -0.48 -0.31 0.37 0.00 0.00 175.52 175.84 3g0b s TYR 53 N -6.12 3.53 0.26 3.16 2.02 -1.26 -5.08 117.35 113.87 3g0b s TYR 53 Ca -0.13 -2.29 -0.20 0.00 -0.37 0.00 0.00 57.07 54.08 3g0b s TYR 53 Cb 0.15 -3.31 -0.09 0.00 -0.40 0.00 0.00 41.96 38.32 3g0b s TYR 53 CO 0.77 -0.97 0.77 0.50 -1.57 0.00 0.00 175.55 175.05 3g0b s ARG 54 N 1.10 4.26 -0.28 -0.62 3.52 -1.26 -5.04 118.95 120.62 3g0b s ARG 54 Ca 0.08 0.91 -0.18 0.00 -0.13 0.00 0.00 55.73 56.42 3g0b s ARG 54 Cb -0.23 -2.76 -0.02 0.00 -1.56 0.00 0.00 34.95 30.37 3g0b s ARG 54 CO -0.03 0.32 0.50 -0.51 -0.81 0.00 0.00 175.30 174.77 3g0b s LEU 55 N -2.22 4.10 0.23 -0.88 1.43 -1.26 -4.73 118.68 115.35 3g0b s LEU 55 Ca 0.47 0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 53.66 3g0b s LEU 55 Cb -0.15 -2.63 -0.09 0.00 0.03 0.00 0.00 46.19 43.35 3g0b s LEU 55 CO 0.20 -0.32 1.05 -0.54 0.23 0.00 0.00 176.35 176.97 3g0b s LYS 56 N 2.31 4.69 0.44 1.70 1.02 -1.26 -5.06 119.74 123.59 3g0b s LYS 56 Ca 0.20 1.67 0.08 0.00 0.02 0.00 0.00 55.97 57.94 3g0b s LYS 56 Cb -0.16 -3.25 0.01 0.00 -0.52 0.00 0.00 37.83 33.91 3g0b s LYS 56 CO 0.10 0.25 0.53 -0.51 -0.92 0.00 0.00 175.35 174.80 3g0b s LEU 57 N -0.94 3.46 -0.44 3.17 1.02 -1.26 -4.92 118.68 118.78 3g0b s LEU 57 Ca 0.45 -0.61 0.03 0.00 0.02 0.00 0.00 54.13 54.02 3g0b s LEU 57 Cb -0.29 -2.28 0.16 0.00 0.02 0.00 0.00 46.19 43.80 3g0b s LEU 57 CO 0.36 -0.81 0.31 -0.47 0.02 0.00 0.00 176.35 175.76 3g0b s TYR 58 N -2.45 1.49 -0.32 0.29 6.14 -1.26 -4.94 117.35 116.29 3g0b s TYR 58 Ca 0.53 -2.32 -0.24 0.00 0.64 0.00 0.00 57.07 55.68 3g0b s TYR 58 Cb -0.07 -1.32 0.00 0.00 0.42 0.00 0.00 41.96 40.99 3g0b s TYR 58 CO 0.32 -0.78 0.81 0.45 0.64 0.00 0.00 175.55 176.98 3g0b s SER 59 N 0.14 6.65 0.21 4.32 0.15 -1.26 -5.04 113.70 118.88 3g0b s SER 59 Ca 0.26 0.60 0.11 0.00 0.70 0.00 0.00 55.95 57.62 3g0b s SER 59 Cb -0.08 -2.41 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 3g0b s SER 59 CO -0.11 -0.67 -0.19 -1.48 1.20 0.00 0.00 173.24 171.99 3g0b s LEU 60 N 3.05 2.61 -0.21 3.45 0.05 -1.26 -4.55 118.68 121.82 3g0b s LEU 60 Ca 0.33 -0.83 0.00 0.00 0.05 0.00 0.00 54.13 53.68 3g0b s LEU 60 Cb -0.14 -1.28 0.05 0.00 -2.05 0.00 0.00 46.19 42.78 3g0b s LEU 60 CO 0.14 0.10 -0.06 0.00 -0.55 0.00 0.00 176.35 175.98 3g0b s ARG 61 N -2.91 1.63 0.32 1.48 1.70 -1.07 -4.97 118.95 115.13 3g0b s ARG 61 Ca 0.24 -0.81 -0.29 0.00 -0.47 0.00 0.00 55.73 54.39 3g0b s ARG 61 Cb -0.07 -2.39 -0.12 0.00 -0.57 0.00 0.00 34.95 31.80 3g0b s ARG 61 CO 0.12 -0.52 1.41 0.91 -1.08 0.00 0.00 175.30 176.14 3g0b n TRP 62 N 4.74 2.49 -0.06 5.89 7.02 -1.26 -1.01 117.44 135.25 3g0b n TRP 62 Ca -0.12 0.45 -0.07 0.00 -1.02 0.00 0.00 57.50 56.74 3g0b n TRP 62 Cb 0.46 -2.48 -0.08 0.00 -2.42 0.00 0.00 31.31 26.79 3g0b n TRP 62 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 3g0b n ILE 63 N 1.04 0.76 -2.56 -0.99 -0.00 0.16 -4.87 119.36 112.91 3g0b n ILE 63 Ca 0.06 -0.41 0.00 0.00 -0.00 0.00 0.00 62.75 62.40 3g0b n ILE 63 Cb 0.36 -0.80 0.00 0.00 -0.00 0.00 0.00 39.64 39.20 3g0b n ILE 63 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 3g0b n SER 64 N -2.56 0.00 -0.15 4.38 3.41 -1.01 -4.97 113.62 112.73 3g0b n SER 64 Ca -0.20 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.56 3g0b n SER 64 Cb 0.83 0.00 0.78 0.00 -0.26 0.00 0.00 64.21 65.55 3g0b n SER 64 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3g0b n ASP 65 N 0.00 0.47 0.00 4.04 4.64 -1.26 -3.11 116.55 121.33 3g0b n ASP 65 Ca 0.00 -1.03 0.00 0.00 -1.38 0.00 0.00 54.79 52.38 3g0b n ASP 65 Cb 0.00 -0.02 0.00 0.00 -1.04 0.00 0.00 41.12 40.06 3g0b n ASP 65 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3g0b n HIS 66 N -0.69 0.00 -4.37 -0.67 1.44 -1.26 -4.43 115.22 105.23 3g0b n HIS 66 Ca 0.21 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.72 3g0b n HIS 66 Cb 0.21 0.07 -0.13 0.00 0.12 0.00 0.00 29.99 30.25 3g0b n HIS 66 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3g0b s GLU 67 N 0.00 0.95 0.04 -1.40 2.02 -1.26 -1.45 118.70 117.60 3g0b s GLU 67 Ca 0.00 -0.74 -0.07 0.00 0.02 0.00 0.00 54.97 54.18 3g0b s GLU 67 Cb 0.00 -0.95 -0.01 0.00 0.10 0.00 0.00 34.13 33.27 3g0b s GLU 67 CO 0.00 0.24 0.14 1.52 0.02 0.00 0.00 175.26 177.17 3g0b s TYR 68 N -0.81 0.15 -0.04 1.61 -0.85 -1.00 0.40 117.35 116.79 3g0b s TYR 68 Ca 0.02 -0.43 -0.11 0.00 -0.52 0.00 0.00 57.07 56.03 3g0b s TYR 68 Cb -0.08 -0.10 -0.05 0.00 0.38 0.00 0.00 41.96 42.12 3g0b s TYR 68 CO 0.01 -0.40 0.29 -0.51 -1.52 0.00 0.00 175.55 173.43 3g0b s LEU 69 N -2.15 4.43 -0.03 -3.49 1.43 -0.18 -0.49 118.68 118.21 3g0b s LEU 69 Ca -0.04 0.74 0.03 0.00 -1.03 0.00 0.00 54.13 53.82 3g0b s LEU 69 Cb -0.01 -2.41 0.00 0.00 0.03 0.00 0.00 46.19 43.81 3g0b s LEU 69 CO -0.05 0.35 -0.09 -0.47 0.23 0.00 0.00 176.35 176.32 3g0b s TYR 70 N -1.09 0.98 -1.18 0.29 5.04 0.44 -2.58 117.35 119.25 3g0b s TYR 70 Ca 0.21 -0.24 -0.12 0.00 -2.44 0.00 0.00 57.07 54.48 3g0b s TYR 70 Cb -0.15 -0.69 0.21 0.00 0.35 0.00 0.00 41.96 41.68 3g0b s TYR 70 CO 0.10 -0.10 1.33 1.17 -1.34 0.00 0.00 175.55 176.71 3g0b n LYS 71 N 3.26 3.44 -1.32 4.97 4.81 -1.26 0.37 118.16 132.42 3g0b n LYS 71 Ca -0.18 -4.06 -0.38 0.00 -0.87 0.00 0.00 58.31 52.82 3g0b n LYS 71 Cb 0.54 -2.87 -0.07 0.00 0.02 0.00 0.00 35.03 32.66 3g0b n LYS 71 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3g0b n GLN 72 N 4.59 1.25 0.00 1.64 1.13 -0.92 -4.79 117.38 120.27 3g0b n GLN 72 Ca 0.32 -1.89 0.00 0.00 -1.94 0.00 0.00 57.00 53.50 3g0b n GLN 72 Cb 0.41 -3.12 0.00 0.00 0.11 0.00 0.00 30.24 27.64 3g0b n GLN 72 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3g0b n GLU 73 N 7.53 0.00 0.16 -1.09 -0.58 -1.26 -2.51 120.64 122.89 3g0b n GLU 73 Ca 0.48 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 57.23 3g0b n GLU 73 Cb 0.43 0.00 0.26 0.00 -0.57 0.00 0.00 31.44 31.56 3g0b n GLU 73 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3g0b h ASN 74 N 0.00 0.00 -2.81 1.62 4.21 -2.00 -3.46 115.58 113.14 3g0b h ASN 74 Ca 0.00 0.00 -0.47 0.00 1.21 0.00 0.00 56.30 57.04 3g0b h ASN 74 Cb 0.00 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.22 3g0b h ASN 74 CO 0.00 0.49 -0.11 0.20 -1.29 0.00 0.00 177.43 176.72 3g0b s ASN 75 N -6.74 6.00 -0.18 5.81 -0.87 -1.04 -3.81 114.94 114.10 3g0b s ASN 75 Ca -0.01 0.37 -0.00 0.00 -1.57 0.00 0.00 52.86 51.65 3g0b s ASN 75 Cb 0.13 -1.73 0.01 0.00 -0.02 0.00 0.00 41.25 39.64 3g0b s ASN 75 CO 0.73 -0.57 -0.15 -0.63 -2.57 0.00 0.00 177.10 173.91 3g0b s ILE 76 N -2.49 2.48 -0.06 0.60 1.01 -0.37 -2.17 121.20 120.18 3g0b s ILE 76 Ca 0.46 -0.81 -0.00 0.00 0.00 0.00 0.00 60.65 60.30 3g0b s ILE 76 Cb -0.10 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 3g0b s ILE 76 CO 0.38 0.51 -0.02 -0.76 0.00 0.00 0.00 174.94 175.04 3g0b s LEU 77 N 1.24 3.42 -0.16 2.97 2.01 0.16 -0.28 118.68 128.04 3g0b s LEU 77 Ca 0.03 0.06 -0.20 0.00 0.01 0.00 0.00 54.13 54.03 3g0b s LEU 77 Cb -0.14 -1.80 -0.03 0.00 0.01 0.00 0.00 46.19 44.23 3g0b s LEU 77 CO -0.08 0.36 0.59 0.68 1.01 0.00 0.00 176.35 178.91 3g0b s VAL 78 N -0.89 5.08 -0.12 -1.59 -7.23 -0.84 -0.42 120.40 114.39 3g0b s VAL 78 Ca 0.14 1.14 -0.04 0.00 -1.81 0.00 0.00 61.98 61.41 3g0b s VAL 78 Cb -0.11 -3.92 -0.03 0.00 0.56 0.00 0.00 36.38 32.88 3g0b s VAL 78 CO 0.03 0.19 0.02 -0.36 -0.31 0.00 0.00 175.10 174.68 3g0b s PHE 79 N 1.38 3.20 -0.30 2.82 0.40 0.36 -2.69 117.98 123.14 3g0b s PHE 79 Ca 0.29 0.11 -0.26 0.00 -0.60 0.00 0.00 56.93 56.47 3g0b s PHE 79 Cb -0.16 -1.90 0.01 0.00 0.51 0.00 0.00 43.02 41.48 3g0b s PHE 79 CO 0.12 0.33 0.92 1.21 0.70 0.00 0.00 175.22 178.49 3g0b s ASN 80 N -0.38 6.80 0.41 1.36 3.04 -0.56 -2.39 114.94 123.23 3g0b s ASN 80 Ca 0.08 0.87 0.15 0.00 0.04 0.00 0.00 52.86 54.00 3g0b s ASN 80 Cb -0.12 -2.47 0.89 0.00 -1.54 0.00 0.00 41.25 38.01 3g0b s ASN 80 CO 0.02 -0.72 1.90 0.00 -3.04 0.00 0.00 177.10 175.26 3g0b h ALA 81 N 8.05 1.44 0.55 1.71 0.00 -1.59 0.34 119.26 129.76 3g0b h ALA 81 Ca -0.22 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3g0b h ALA 81 Cb 1.08 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.83 3g0b h ALA 81 CO 0.95 0.36 -0.26 0.93 0.00 0.00 0.00 179.25 181.23 3g0b h GLU 82 N 0.00 -0.71 0.00 0.00 4.39 -1.92 -3.38 114.58 112.96 3g0b h GLU 82 Ca -0.00 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.75 3g0b h GLU 82 Cb 0.54 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 3g0b h GLU 82 CO 0.04 -0.47 -1.31 0.66 -1.16 0.00 0.00 179.01 176.77 3g0b n TYR 83 N -5.40 0.00 -1.03 4.33 4.01 -1.17 -5.00 117.16 112.90 3g0b n TYR 83 Ca -0.12 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.61 3g0b n TYR 83 Cb 0.30 -0.21 -0.00 0.00 -0.31 0.00 0.00 39.34 39.12 3g0b n TYR 83 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g0b n GLY 84 N 1.61 0.48 3.94 2.72 0.00 0.12 -5.03 105.19 109.03 3g0b n GLY 84 Ca -0.01 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 3g0b n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g0b s ASN 85 N -2.25 6.31 0.03 1.61 4.22 -1.25 -4.86 114.94 118.75 3g0b s ASN 85 Ca 0.00 0.44 0.02 0.00 -2.14 0.00 0.00 52.86 51.18 3g0b s ASN 85 Cb 0.00 -2.02 -0.02 0.00 1.28 0.00 0.00 41.25 40.49 3g0b s ASN 85 CO 0.00 -0.26 -0.07 -0.94 -2.04 0.00 0.00 177.10 173.79 3g0b s SER 86 N -3.92 0.82 0.08 3.54 1.04 -1.26 -1.49 113.70 112.50 3g0b s SER 86 Ca 0.40 -0.46 0.08 0.00 0.48 0.00 0.00 55.95 56.45 3g0b s SER 86 Cb -0.10 0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.01 3g0b s SER 86 CO 0.35 -0.15 -0.21 -0.94 0.98 0.00 0.00 173.24 173.27 3g0b s SER 87 N -1.28 2.52 -0.47 7.02 1.04 -1.09 -5.00 113.70 116.43 3g0b s SER 87 Ca -0.07 -0.61 -0.27 0.00 0.48 0.00 0.00 55.95 55.47 3g0b s SER 87 Cb -0.08 -0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.84 3g0b s SER 87 CO 0.00 0.11 1.92 -0.69 0.98 0.00 0.00 173.24 175.56 3g0b s VAL 88 N -0.99 3.35 0.15 5.02 1.01 -1.26 -1.98 120.40 125.70 3g0b s VAL 88 Ca 0.07 0.28 -0.10 0.00 0.00 0.00 0.00 61.98 62.24 3g0b s VAL 88 Cb -0.09 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 3g0b s VAL 88 CO 0.03 -0.57 1.46 0.15 0.00 0.00 0.00 175.10 176.17 3g0b h PHE 89 N 14.74 1.05 -2.50 5.22 3.04 -0.95 -3.44 116.94 134.09 3g0b h PHE 89 Ca -0.29 -0.35 -0.13 0.00 3.98 0.00 0.00 57.97 61.18 3g0b h PHE 89 Cb 1.18 -0.21 -0.29 0.00 2.56 0.00 0.00 35.95 39.19 3g0b h PHE 89 CO 1.00 1.16 -0.43 -1.17 -2.02 0.00 0.00 178.31 176.85 3g0b s LEU 90 N -8.72 -0.56 0.81 0.59 2.96 -0.65 -5.02 118.68 108.10 3g0b s LEU 90 Ca -0.10 0.78 -0.11 0.00 -0.22 0.00 0.00 54.13 54.47 3g0b s LEU 90 Cb 0.11 1.16 0.08 0.00 0.50 0.00 0.00 46.19 48.03 3g0b s LEU 90 CO 0.88 -0.24 1.09 -1.61 -1.32 0.00 0.00 176.35 175.14 3g0b s GLU 91 N 2.56 1.98 0.15 1.98 8.01 -1.26 -1.23 118.70 130.89 3g0b s GLU 91 Ca 0.01 0.88 -0.11 0.00 0.01 0.00 0.00 54.97 55.76 3g0b s GLU 91 Cb -0.13 -1.89 0.02 0.00 -4.31 0.00 0.00 34.13 27.83 3g0b s GLU 91 CO -0.12 -1.75 1.59 -2.95 0.01 0.00 0.00 175.26 172.04 3g0b h ASN 92 N -1.20 0.92 -0.63 -0.19 7.08 -1.95 -3.27 115.58 116.35 3g0b h ASN 92 Ca -0.46 -0.33 0.00 0.00 -3.08 0.00 0.00 56.30 52.43 3g0b h ASN 92 Cb 1.25 -0.25 0.00 0.00 -2.08 0.00 0.00 38.32 37.25 3g0b h ASN 92 CO 0.55 1.03 0.00 -1.54 -2.08 0.00 0.00 177.43 175.39 3g0b n SER 93 N -4.26 4.06 -0.28 6.14 3.41 -1.26 -4.25 113.62 117.18 3g0b n SER 93 Ca 0.01 -2.24 -0.03 0.00 -0.26 0.00 0.00 58.87 56.35 3g0b n SER 93 Cb 0.35 -0.51 0.09 0.00 -0.26 0.00 0.00 64.21 63.88 3g0b n SER 93 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3g0b h THR 94 N 3.82 1.14 -0.66 6.66 2.02 -1.96 -2.78 112.91 121.16 3g0b h THR 94 Ca 0.00 -0.34 -0.35 0.00 0.77 0.00 0.00 66.41 66.49 3g0b h THR 94 Cb 1.16 0.07 -0.21 0.00 -1.74 0.00 0.00 68.15 67.43 3g0b h THR 94 CO 0.13 0.18 0.24 0.49 0.37 0.00 0.00 175.52 176.93 3g0b n PHE 95 N -4.59 2.04 -0.29 3.16 3.72 -1.26 -4.50 117.46 115.74 3g0b n PHE 95 Ca 0.09 -1.80 0.02 0.00 -0.05 0.00 0.00 57.45 55.71 3g0b n PHE 95 Cb 0.07 -0.72 0.16 0.00 -0.94 0.00 0.00 39.48 38.05 3g0b n PHE 95 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3g0b h ASP 96 N 1.08 0.71 0.00 4.37 1.82 -1.72 -1.94 116.42 120.73 3g0b h ASP 96 Ca 0.42 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 57.10 3g0b h ASP 96 Cb 2.12 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 42.03 3g0b h ASP 96 CO 0.75 0.41 0.00 -0.62 -1.61 0.00 0.00 179.24 178.17 3g0b n GLU 97 N -4.72 0.97 -0.09 0.28 -0.58 -1.26 -4.04 120.64 111.20 3g0b n GLU 97 Ca 0.13 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.77 3g0b n GLU 97 Cb 0.26 -1.44 -0.03 0.00 -0.57 0.00 0.00 31.44 29.65 3g0b n GLU 97 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 3g0b h PHE 98 N 0.00 0.50 0.00 -0.32 3.04 -1.67 -3.47 116.94 115.02 3g0b h PHE 98 Ca 0.00 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 61.88 3g0b h PHE 98 Cb 0.00 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.37 3g0b h PHE 98 CO 0.00 0.57 0.00 0.41 -2.02 0.00 0.00 178.31 177.27 3g0b n GLY 99 N -0.46 1.78 3.62 2.40 0.00 -1.26 -5.02 105.19 106.26 3g0b n GLY 99 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 3g0b n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3g0b s HIS 100 N -2.74 2.61 -0.36 1.61 3.76 -1.26 -5.11 115.29 113.80 3g0b s HIS 100 Ca 0.00 -0.28 -0.20 0.00 -0.15 0.00 0.00 55.06 54.43 3g0b s HIS 100 Cb 0.00 -1.24 0.00 0.00 1.11 0.00 0.00 32.58 32.45 3g0b s HIS 100 CO 0.00 0.59 0.59 0.45 -0.85 0.00 0.00 174.74 175.53 3g0b s SER 101 N -3.67 6.38 -0.28 1.40 0.15 -1.26 -5.03 113.70 111.39 3g0b s SER 101 Ca 0.32 0.06 -0.29 0.00 0.70 0.00 0.00 55.95 56.74 3g0b s SER 101 Cb -0.05 -2.31 -0.00 0.00 -1.71 0.00 0.00 66.02 61.95 3g0b s SER 101 CO 0.19 -0.57 1.29 -0.63 1.20 0.00 0.00 173.24 174.73 3g0b s ILE 102 N 2.61 4.16 -0.02 6.45 -1.09 -1.26 -4.42 121.20 127.63 3g0b s ILE 102 Ca 0.22 1.33 -0.21 0.00 -2.23 0.00 0.00 60.65 59.76 3g0b s ILE 102 Cb -0.15 -4.14 -0.26 0.00 -1.58 0.00 0.00 42.46 36.34 3g0b s ILE 102 CO 0.14 -0.43 1.02 -1.13 -1.23 0.00 0.00 174.94 173.32 3g0b h ASN 103 N 9.13 0.46 -5.00 3.58 -1.24 -0.92 -3.49 115.58 118.11 3g0b h ASN 103 Ca -0.26 -0.82 -0.05 0.00 0.71 0.00 0.00 56.30 55.88 3g0b h ASN 103 Cb 1.10 -0.14 -0.16 0.00 0.73 0.00 0.00 38.32 39.84 3g0b h ASN 103 CO 1.02 1.24 0.16 -0.62 -1.29 0.00 0.00 177.43 177.94 3g0b s ASP 104 N -6.75 -0.58 0.37 1.15 -1.08 -1.13 -5.03 116.67 103.62 3g0b s ASP 104 Ca -0.14 0.36 0.08 0.00 -0.52 0.00 0.00 52.55 52.33 3g0b s ASP 104 Cb 0.02 0.55 -0.05 0.00 -1.46 0.00 0.00 42.92 41.98 3g0b s ASP 104 CO 0.81 -0.75 0.11 -0.72 0.52 0.00 0.00 175.17 175.14 3g0b s TYR 105 N -2.32 2.60 -0.30 -5.34 1.13 -1.26 -0.99 117.35 110.87 3g0b s TYR 105 Ca -0.06 -0.50 -0.00 0.00 -1.41 0.00 0.00 57.07 55.10 3g0b s TYR 105 Cb -0.01 -1.73 0.19 0.00 -1.10 0.00 0.00 41.96 39.32 3g0b s TYR 105 CO -0.00 0.33 0.62 0.45 -2.51 0.00 0.00 175.55 174.44 3g0b s SER 106 N -3.82 -1.40 0.15 -0.18 0.15 -0.03 -4.98 113.70 103.60 3g0b s SER 106 Ca 0.38 0.69 -0.30 0.00 0.70 0.00 0.00 55.95 57.42 3g0b s SER 106 Cb 0.02 2.10 -0.07 0.00 -1.71 0.00 0.00 66.02 66.35 3g0b s SER 106 CO 0.21 -0.26 1.09 -0.63 1.20 0.00 0.00 173.24 174.85 3g0b s ILE 107 N 2.86 3.99 0.50 6.45 -1.09 -1.26 -0.40 121.20 132.25 3g0b s ILE 107 Ca 0.18 1.67 -0.23 0.00 -2.23 0.00 0.00 60.65 60.03 3g0b s ILE 107 Cb -0.13 -4.07 -0.06 0.00 -1.58 0.00 0.00 42.46 36.62 3g0b s ILE 107 CO -0.22 0.26 1.38 -0.94 -1.23 0.00 0.00 174.94 174.19 3g0b s SER 108 N 0.04 5.59 0.38 3.58 1.04 -0.00 -4.91 113.70 119.42 3g0b s SER 108 Ca 0.50 2.80 0.15 0.00 0.48 0.00 0.00 55.95 59.88 3g0b s SER 108 Cb -0.28 -2.64 1.00 0.00 0.10 0.00 0.00 66.02 64.20 3g0b s SER 108 CO 0.33 -1.36 1.79 -0.65 0.98 0.00 0.00 173.24 174.34 3g0b h PRO 109 N 1.88 0.48 -0.00 4.02 0.11 -1.81 0.22 132.00 136.90 3g0b h PRO 109 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3g0b h PRO 109 Cb 1.28 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3g0b h PRO 109 CO 0.59 0.32 -0.07 -0.40 -0.21 0.00 0.00 178.00 178.23 3g0b n ASP 110 N -4.64 0.10 -0.22 -2.05 3.85 -1.14 -4.80 116.55 107.65 3g0b n ASP 110 Ca 0.23 0.22 -0.03 0.00 -0.71 0.00 0.00 54.79 54.50 3g0b n ASP 110 Cb 0.75 -0.34 -0.01 0.00 -1.35 0.00 0.00 41.12 40.17 3g0b n ASP 110 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3g0b n GLY 111 N 1.45 0.61 0.10 6.12 0.00 0.79 -4.91 105.19 109.35 3g0b n GLY 111 Ca 0.09 -0.65 0.04 0.00 0.00 0.00 0.00 46.02 45.50 3g0b n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3g0b h GLN 112 N 0.23 0.00 -4.04 1.61 4.20 -1.92 -3.46 115.11 111.72 3g0b h GLN 112 Ca -0.06 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.42 3g0b h GLN 112 Cb 0.24 0.00 -0.25 0.00 0.30 0.00 0.00 27.48 27.77 3g0b h GLN 112 CO 0.08 0.20 -0.72 -0.06 -0.67 0.00 0.00 178.83 177.66 3g0b s PHE 113 N -3.08 0.27 -0.15 2.96 0.08 -1.26 -1.59 117.98 115.22 3g0b s PHE 113 Ca -0.02 -0.28 0.00 0.00 0.12 0.00 0.00 56.93 56.76 3g0b s PHE 113 Cb 0.09 -0.18 -0.00 0.00 -0.57 0.00 0.00 43.02 42.36 3g0b s PHE 113 CO 0.80 -0.08 -0.16 -1.50 -0.10 0.00 0.00 175.22 174.18 3g0b s ILE 114 N -0.75 2.67 -0.17 0.64 2.07 -0.61 -0.82 121.20 124.22 3g0b s ILE 114 Ca -0.07 -0.78 -0.26 0.00 -1.41 0.00 0.00 60.65 58.14 3g0b s ILE 114 Cb -0.05 -2.12 -0.01 0.00 0.13 0.00 0.00 42.46 40.41 3g0b s ILE 114 CO -0.00 0.52 0.85 -0.22 -1.91 0.00 0.00 174.94 174.18 3g0b s LEU 115 N 0.72 4.18 -0.14 8.50 2.96 0.47 -1.01 118.68 134.35 3g0b s LEU 115 Ca -0.07 1.20 -0.04 0.00 -0.22 0.00 0.00 54.13 55.00 3g0b s LEU 115 Cb -0.16 -3.26 -0.03 0.00 0.50 0.00 0.00 46.19 43.24 3g0b s LEU 115 CO 0.01 -0.41 0.00 -0.76 -1.32 0.00 0.00 176.35 173.87 3g0b s LEU 116 N 2.17 3.50 -0.13 -0.68 1.43 0.45 -0.85 118.68 124.56 3g0b s LEU 116 Ca 0.39 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 3g0b s LEU 116 Cb -0.17 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 3g0b s LEU 116 CO 0.13 0.23 -0.17 -0.70 0.23 0.00 0.00 176.35 176.07 3g0b s GLU 117 N -0.01 3.24 0.23 1.70 2.12 -0.17 -1.68 118.70 124.14 3g0b s GLU 117 Ca 0.03 -0.76 -0.01 0.00 0.36 0.00 0.00 54.97 54.59 3g0b s GLU 117 Cb -0.13 -2.53 0.00 0.00 0.26 0.00 0.00 34.13 31.74 3g0b s GLU 117 CO 0.02 0.16 0.32 2.48 -0.54 0.00 0.00 175.26 177.70 3g0b n TYR 118 N 3.64 -1.07 -3.97 5.30 4.11 -0.70 -0.15 117.16 124.32 3g0b n TYR 118 Ca -0.19 -1.60 -0.27 0.00 -0.00 0.00 0.00 57.90 55.85 3g0b n TYR 118 Cb 0.53 0.36 -0.01 0.00 -0.00 0.00 0.00 39.34 40.21 3g0b n TYR 118 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 3g0b n ASN 119 N -1.82 -1.24 -4.68 9.48 3.02 -1.26 0.08 115.26 118.84 3g0b n ASN 119 Ca 0.01 -0.97 -0.42 0.00 -0.03 0.00 0.00 54.58 53.16 3g0b n ASN 119 Cb 0.39 -3.17 -0.03 0.00 -0.61 0.00 0.00 39.78 36.37 3g0b n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3g0b s TYR 120 N -3.77 2.73 -0.22 3.10 5.04 -1.26 -3.98 117.35 118.99 3g0b s TYR 120 Ca 0.18 0.73 -0.01 0.00 -2.44 0.00 0.00 57.07 55.53 3g0b s TYR 120 Cb -0.09 -3.70 0.06 0.00 0.35 0.00 0.00 41.96 38.57 3g0b s TYR 120 CO 0.88 -2.65 -0.01 0.08 -1.34 0.00 0.00 175.55 172.50 3g0b s VAL 121 N 2.65 1.12 0.39 3.14 1.01 0.11 -4.99 120.40 123.84 3g0b s VAL 121 Ca 0.65 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 61.39 3g0b s VAL 121 Cb -0.32 -1.49 -0.10 0.00 0.00 0.00 0.00 36.38 34.46 3g0b s VAL 121 CO 0.26 -0.16 1.47 -0.75 0.00 0.00 0.00 175.10 175.93 3g0b s LYS 122 N 1.58 4.04 0.00 2.72 2.20 -1.26 -0.60 119.74 128.43 3g0b s LYS 122 Ca -0.04 2.54 0.00 0.00 -0.36 0.00 0.00 55.97 58.11 3g0b s LYS 122 Cb -0.18 -2.92 0.00 0.00 -1.51 0.00 0.00 37.83 33.22 3g0b s LYS 122 CO -0.07 -0.57 0.00 0.94 -0.36 0.00 0.00 175.35 175.29 3g0b n GLN 123 N 0.36 0.00 0.00 4.03 7.27 0.71 -4.85 117.38 124.90 3g0b n GLN 123 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.09 3g0b n GLN 123 Cb 0.40 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.05 3g0b n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 3g0b n TRP 124 N 0.00 0.00 0.11 3.69 5.03 -1.18 -4.92 117.44 120.16 3g0b n TRP 124 Ca 0.00 0.00 -0.02 0.00 3.03 0.00 0.00 57.50 60.51 3g0b n TRP 124 Cb 0.00 0.00 0.19 0.00 -1.03 0.00 0.00 31.31 30.47 3g0b n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 3g0b h ARG 125 N 0.00 0.18 0.00 -0.99 2.43 -1.98 -3.36 114.38 110.67 3g0b h ARG 125 Ca 0.00 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3g0b h ARG 125 Cb 0.00 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3g0b h ARG 125 CO 0.00 0.64 -1.01 0.72 -1.51 0.00 0.00 179.97 178.81 3g0b n HIS 126 N -3.95 0.00 -2.36 2.20 8.25 -1.26 -5.05 115.22 113.04 3g0b n HIS 126 Ca -0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.05 3g0b n HIS 126 Cb 0.54 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 3g0b n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3g0b s SER 127 N -3.37 6.95 0.29 0.41 1.04 -1.26 -4.64 113.70 113.12 3g0b s SER 127 Ca -0.00 2.35 -0.14 0.00 0.48 0.00 0.00 55.95 58.65 3g0b s SER 127 Cb 0.00 -2.62 0.01 0.00 0.10 0.00 0.00 66.02 63.51 3g0b s SER 127 CO 0.01 -0.38 0.58 -0.72 0.98 0.00 0.00 173.24 173.71 3g0b s TYR 128 N -1.26 0.30 0.10 5.02 -0.85 -1.26 -0.21 117.35 119.19 3g0b s TYR 128 Ca 0.49 -0.72 0.07 0.00 -0.52 0.00 0.00 57.07 56.40 3g0b s TYR 128 Cb -0.32 0.37 -0.04 0.00 0.38 0.00 0.00 41.96 42.35 3g0b s TYR 128 CO 0.42 -1.17 -0.10 0.99 -1.52 0.00 0.00 175.55 174.17 3g0b s THR 129 N -3.58 3.36 0.14 -3.49 2.01 0.23 -4.59 115.64 109.73 3g0b s THR 129 Ca 0.20 -1.26 -0.19 0.00 0.31 0.00 0.00 61.69 60.75 3g0b s THR 129 Cb -0.03 -2.57 0.05 0.00 0.01 0.00 0.00 72.50 69.96 3g0b s THR 129 CO 0.11 0.12 0.48 0.00 -0.69 0.00 0.00 174.62 174.64 3g0b s ALA 130 N -1.21 -1.18 0.31 7.40 0.00 -0.75 -0.71 121.76 125.62 3g0b s ALA 130 Ca 0.21 0.14 -0.05 0.00 0.00 0.00 0.00 51.96 52.26 3g0b s ALA 130 Cb -0.11 0.77 -0.05 0.00 0.00 0.00 0.00 23.12 23.73 3g0b s ALA 130 CO 0.13 -0.70 0.58 -1.12 0.00 0.00 0.00 175.76 174.65 3g0b s SER 131 N -2.79 6.45 0.00 0.00 0.01 0.11 -1.33 113.70 116.15 3g0b s SER 131 Ca 0.03 0.75 0.01 0.00 1.31 0.00 0.00 55.95 58.05 3g0b s SER 131 Cb 0.01 -2.16 -0.00 0.00 0.21 0.00 0.00 66.02 64.07 3g0b s SER 131 CO -0.12 -0.23 -0.02 -0.31 0.41 0.00 0.00 173.24 172.97 3g0b s TYR 132 N -2.13 0.19 0.07 2.43 1.51 -1.26 -1.72 117.35 116.44 3g0b s TYR 132 Ca 0.45 -0.09 0.08 0.00 -1.01 0.00 0.00 57.07 56.49 3g0b s TYR 132 Cb -0.11 -0.12 -0.03 0.00 -0.11 0.00 0.00 41.96 41.59 3g0b s TYR 132 CO 0.30 -0.02 -0.20 -0.51 -1.11 0.00 0.00 175.55 174.01 3g0b s ASP 133 N -0.23 2.47 -0.15 2.29 1.01 -0.68 -4.44 116.67 116.94 3g0b s ASP 133 Ca -0.01 -0.61 -0.04 0.00 0.71 0.00 0.00 52.55 52.61 3g0b s ASP 133 Cb -0.02 -0.16 -0.03 0.00 1.01 0.00 0.00 42.92 43.72 3g0b s ASP 133 CO -0.00 0.10 -0.04 -0.63 0.21 0.00 0.00 175.17 174.81 3g0b s ILE 134 N -1.00 3.90 -0.19 0.77 1.01 -1.26 -0.41 121.20 124.02 3g0b s ILE 134 Ca 0.07 -0.36 -0.05 0.00 0.00 0.00 0.00 60.65 60.31 3g0b s ILE 134 Cb -0.09 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 3g0b s ILE 134 CO 0.03 0.50 -0.01 -0.47 0.00 0.00 0.00 174.94 174.98 3g0b s TYR 135 N 0.34 3.03 -0.55 3.97 5.04 -0.18 -0.44 117.35 128.56 3g0b s TYR 135 Ca -0.04 -0.44 -0.28 0.00 -2.44 0.00 0.00 57.07 53.87 3g0b s TYR 135 Cb -0.14 -2.05 0.03 0.00 0.35 0.00 0.00 41.96 40.14 3g0b s TYR 135 CO 0.03 -0.20 1.17 0.34 -1.34 0.00 0.00 175.55 175.55 3g0b s ASP 136 N 0.87 6.49 0.35 4.32 -1.08 0.06 -1.57 116.67 126.10 3g0b s ASP 136 Ca 0.00 0.18 0.14 0.00 -0.52 0.00 0.00 52.55 52.35 3g0b s ASP 136 Cb -0.14 -2.55 0.64 0.00 -1.46 0.00 0.00 42.92 39.41 3g0b s ASP 136 CO 0.02 -1.42 1.76 -0.07 0.52 0.00 0.00 175.17 175.98 3g0b h LEU 137 N 11.72 0.00 -1.08 -1.34 3.38 -1.61 0.59 115.31 126.97 3g0b h LEU 137 Ca -0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3g0b h LEU 137 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 3g0b h LEU 137 CO 1.17 0.43 -0.04 0.78 0.09 0.00 0.00 178.44 180.88 3g0b h ASN 138 N 0.00 0.00 0.00 -0.43 2.35 -1.90 -3.33 115.58 112.27 3g0b h ASN 138 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3g0b h ASN 138 Cb 0.81 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.18 3g0b h ASN 138 CO 0.06 0.04 -0.87 0.29 -1.65 0.00 0.00 177.43 175.29 3g0b n LYS 139 N -3.13 0.94 -3.15 0.81 5.02 -1.07 -5.05 118.16 112.53 3g0b n LYS 139 Ca 0.01 -0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.16 3g0b n LYS 139 Cb 0.38 -0.94 0.07 0.00 -0.02 0.00 0.00 35.03 34.52 3g0b n LYS 139 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3g0b n ARG 140 N -1.44 -5.28 -3.69 1.97 1.74 0.21 -5.05 116.66 105.13 3g0b n ARG 140 Ca -0.00 0.64 -0.15 0.00 -0.77 0.00 0.00 57.85 57.57 3g0b n ARG 140 Cb 0.00 -5.05 -0.08 0.00 -1.02 0.00 0.00 32.46 26.32 3g0b n ARG 140 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 3g0b s GLN 141 N -5.28 0.75 0.20 5.56 -2.07 -1.12 -4.98 119.66 112.71 3g0b s GLN 141 Ca 0.12 0.09 -0.30 0.00 -1.82 0.00 0.00 55.36 53.45 3g0b s GLN 141 Cb -0.05 0.34 -0.09 0.00 -1.09 0.00 0.00 33.01 32.12 3g0b s GLN 141 CO 0.55 -0.20 1.39 -0.51 -1.32 0.00 0.00 175.29 175.20 3g0b s LEU 142 N -0.99 4.39 0.09 2.60 2.01 -1.26 -0.76 118.68 124.76 3g0b s LEU 142 Ca -0.10 2.50 -0.31 0.00 0.01 0.00 0.00 54.13 56.23 3g0b s LEU 142 Cb -0.03 -3.61 -0.07 0.00 0.01 0.00 0.00 46.19 42.48 3g0b s LEU 142 CO 0.05 -0.63 1.41 -0.63 1.01 0.00 0.00 176.35 177.55 3g0b s ILE 143 N 0.31 3.38 -0.68 -0.59 1.09 0.42 -4.91 121.20 120.22 3g0b s ILE 143 Ca 0.60 0.95 0.10 0.00 -1.10 0.00 0.00 60.65 61.19 3g0b s ILE 143 Cb -0.39 -3.61 -0.05 0.00 -1.06 0.00 0.00 42.46 37.35 3g0b s ILE 143 CO 0.38 0.05 0.51 0.35 -0.10 0.00 0.00 174.94 176.14 3g0b n THR 144 N 4.14 0.00 -4.46 2.92 -2.24 -1.26 -4.62 114.28 108.76 3g0b n THR 144 Ca 0.12 -0.34 -0.34 0.00 -2.27 0.00 0.00 64.05 61.22 3g0b n THR 144 Cb 0.42 1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 69.61 3g0b n THR 144 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3g0b s GLU 145 N -1.59 2.78 -1.24 -0.78 1.03 -1.26 -4.65 118.70 112.99 3g0b s GLU 145 Ca 0.06 -0.55 -0.06 0.00 0.03 0.00 0.00 54.97 54.45 3g0b s GLU 145 Cb 0.07 -2.64 -0.01 0.00 -0.80 0.00 0.00 34.13 30.75 3g0b s GLU 145 CO 0.31 0.66 0.74 0.39 -1.33 0.00 0.00 175.26 176.02 3g0b n GLU 146 N 1.91 -3.60 -2.09 -4.83 -0.58 -1.26 -4.60 120.64 105.59 3g0b n GLU 146 Ca -0.17 0.61 -0.32 0.00 -0.42 0.00 0.00 57.16 56.86 3g0b n GLU 146 Cb 0.53 -4.99 -0.00 0.00 -0.57 0.00 0.00 31.44 26.41 3g0b n GLU 146 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3g0b s ARG 147 N -5.79 3.56 0.18 3.49 0.52 -1.26 -4.77 118.95 114.88 3g0b s ARG 147 Ca 0.18 0.99 -0.32 0.00 -0.52 0.00 0.00 55.73 56.06 3g0b s ARG 147 Cb -0.05 -2.08 -0.11 0.00 0.52 0.00 0.00 34.95 33.24 3g0b s ARG 147 CO 0.82 -0.60 1.65 0.42 0.02 0.00 0.00 175.30 177.61 3g0b s ILE 148 N -2.73 2.35 0.94 1.52 1.01 -1.26 -4.97 121.20 118.05 3g0b s ILE 148 Ca 0.59 0.24 -0.11 0.00 0.00 0.00 0.00 60.65 61.37 3g0b s ILE 148 Cb -0.12 -3.15 0.16 0.00 0.01 0.00 0.00 42.46 39.35 3g0b s ILE 148 CO 0.40 0.02 1.09 -2.84 0.00 0.00 0.00 174.94 173.61 3g0b s PRO 149 N 1.22 0.88 0.80 2.79 0.02 -1.26 -4.46 135.00 134.99 3g0b s PRO 149 Ca 0.73 0.99 -0.11 0.00 0.02 0.00 0.00 61.00 62.62 3g0b s PRO 149 Cb -0.47 -1.75 0.07 0.00 0.02 0.00 0.00 34.50 32.37 3g0b s PRO 149 CO 0.32 -2.54 1.11 -0.80 -0.33 0.00 0.00 177.00 174.75 3g0b s ASN 150 N -3.12 4.19 -1.31 2.53 0.01 -1.26 -3.88 114.94 112.11 3g0b s ASN 150 Ca 0.65 1.92 -0.01 0.00 -0.71 0.00 0.00 52.86 54.70 3g0b s ASN 150 Cb -0.20 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.93 3g0b s ASN 150 CO 0.58 -2.25 0.17 0.59 -1.51 0.00 0.00 177.10 174.69 3g0b n ASN 151 N -3.61 -4.89 -4.73 -1.22 4.13 -1.15 -4.96 115.26 98.82 3g0b n ASN 151 Ca 0.10 -0.09 -0.41 0.00 1.68 0.00 0.00 54.58 55.85 3g0b n ASN 151 Cb 0.53 -3.91 -0.03 0.00 -1.54 0.00 0.00 39.78 34.82 3g0b n ASN 151 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3g0b s THR 152 N -2.89 3.61 -0.02 3.41 2.01 -0.44 -4.58 115.64 116.74 3g0b s THR 152 Ca 0.09 1.29 -0.05 0.00 0.31 0.00 0.00 61.69 63.32 3g0b s THR 152 Cb -0.04 -3.82 -0.28 0.00 0.01 0.00 0.00 72.50 68.36 3g0b s THR 152 CO 0.11 0.17 0.75 1.56 -0.69 0.00 0.00 174.62 176.52 3g0b h GLN 153 N 5.73 0.29 -2.28 4.92 4.20 -1.06 -1.99 115.11 124.92 3g0b h GLN 153 Ca -0.44 -0.50 -0.07 0.00 0.06 0.00 0.00 58.65 57.70 3g0b h GLN 153 Cb 1.21 0.19 -0.22 0.00 0.30 0.00 0.00 27.48 28.96 3g0b h GLN 153 CO 0.77 1.17 0.01 -0.46 -0.67 0.00 0.00 178.83 179.64 3g0b s TRP 154 N -2.60 -0.64 -0.02 2.96 -0.11 -1.20 -4.60 118.94 112.73 3g0b s TRP 154 Ca -0.12 1.52 0.04 0.00 1.22 0.00 0.00 56.10 58.75 3g0b s TRP 154 Cb 0.06 0.24 -0.01 0.00 -1.50 0.00 0.00 33.47 32.27 3g0b s TRP 154 CO 0.85 -0.35 -0.13 0.14 -4.62 0.00 0.00 176.95 172.83 3g0b s VAL 155 N 0.09 1.09 -0.08 5.86 -7.23 -1.26 -0.38 120.40 118.48 3g0b s VAL 155 Ca -0.02 -0.56 -0.04 0.00 -1.81 0.00 0.00 61.98 59.55 3g0b s VAL 155 Cb -0.04 -0.92 0.04 0.00 0.56 0.00 0.00 36.38 36.02 3g0b s VAL 155 CO 0.02 0.31 0.18 0.28 -0.31 0.00 0.00 175.10 175.59 3g0b s THR 156 N -0.15 -0.04 0.53 5.32 -1.32 0.12 -4.99 115.64 115.11 3g0b s THR 156 Ca 0.02 0.15 -0.21 0.00 -1.21 0.00 0.00 61.69 60.44 3g0b s THR 156 Cb -0.07 -0.29 -0.06 0.00 -1.51 0.00 0.00 72.50 70.57 3g0b s THR 156 CO 0.00 0.06 1.18 0.26 -2.21 0.00 0.00 174.62 173.91 3g0b s TRP 157 N 1.07 2.63 0.80 9.09 0.52 -1.26 -0.37 118.94 131.42 3g0b s TRP 157 Ca -0.08 1.52 -0.12 0.00 0.02 0.00 0.00 56.10 57.44 3g0b s TRP 157 Cb -0.10 -3.42 0.08 0.00 -1.15 0.00 0.00 33.47 28.88 3g0b s TRP 157 CO -0.06 -1.83 1.13 -1.54 0.02 0.00 0.00 176.95 174.67 3g0b s SER 158 N -1.51 4.01 0.43 2.95 1.04 0.10 -4.88 113.70 115.84 3g0b s SER 158 Ca 0.71 2.06 0.14 0.00 0.48 0.00 0.00 55.95 59.33 3g0b s SER 158 Cb -0.29 -2.55 0.92 0.00 0.10 0.00 0.00 66.02 64.20 3g0b s SER 158 CO 0.33 -2.37 1.95 -0.65 0.98 0.00 0.00 173.24 173.48 3g0b h PRO 159 N -1.08 0.03 -5.75 4.02 0.11 -1.81 -3.42 132.00 124.09 3g0b h PRO 159 Ca -0.44 -0.01 -0.48 0.00 0.11 0.00 0.00 66.00 65.18 3g0b h PRO 159 Cb 1.26 -0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.15 3g0b h PRO 159 CO 0.48 0.24 -0.80 0.14 -0.21 0.00 0.00 178.00 177.85 3g0b s VAL 160 N -4.56 1.45 0.00 3.15 -7.23 -1.26 -4.74 120.40 107.21 3g0b s VAL 160 Ca -0.04 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 3g0b s VAL 160 Cb 0.15 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.70 3g0b s VAL 160 CO 0.71 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.93 3g0b n GLY 161 N 1.04 0.09 1.87 2.32 0.00 -1.26 -4.54 105.19 104.69 3g0b n GLY 161 Ca -0.19 -1.04 0.01 0.00 0.00 0.00 0.00 46.02 44.80 3g0b n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3g0b n HIS 162 N 7.20 0.19 -2.17 1.61 1.44 -1.26 -2.87 115.22 119.36 3g0b n HIS 162 Ca 0.00 -1.02 -0.35 0.00 -2.01 0.00 0.00 57.72 54.34 3g0b n HIS 162 Cb 0.00 0.03 0.01 0.00 0.12 0.00 0.00 29.99 30.15 3g0b n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3g0b s LYS 163 N -1.01 3.27 -0.05 -1.40 1.02 -1.26 -4.58 119.74 115.74 3g0b s LYS 163 Ca 0.26 1.55 0.00 0.00 0.02 0.00 0.00 55.97 57.80 3g0b s LYS 163 Cb 0.32 -2.00 0.02 0.00 -0.52 0.00 0.00 37.83 35.66 3g0b s LYS 163 CO -0.11 -0.90 -0.04 -1.17 -0.92 0.00 0.00 175.35 172.21 3g0b s LEU 164 N -4.00 1.18 -0.04 3.17 2.96 0.90 -0.72 118.68 122.13 3g0b s LEU 164 Ca 0.71 -0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.53 3g0b s LEU 164 Cb -0.23 -0.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 3g0b s LEU 164 CO 0.29 -0.08 -0.11 0.00 -1.32 0.00 0.00 176.35 175.13 3g0b s ALA 165 N 1.16 2.80 0.08 5.97 0.00 0.50 0.87 121.76 133.13 3g0b s ALA 165 Ca -0.07 -0.98 -0.11 0.00 0.00 0.00 0.00 51.96 50.80 3g0b s ALA 165 Cb -0.14 -1.04 0.01 0.00 0.00 0.00 0.00 23.12 21.95 3g0b s ALA 165 CO -0.01 0.57 0.24 1.52 0.00 0.00 0.00 175.76 178.08 3g0b s TYR 166 N -0.81 0.03 -0.11 0.00 -0.85 0.56 0.16 117.35 116.32 3g0b s TYR 166 Ca 0.13 -0.35 0.02 0.00 -0.52 0.00 0.00 57.07 56.35 3g0b s TYR 166 Cb -0.11 0.02 -0.01 0.00 0.38 0.00 0.00 41.96 42.25 3g0b s TYR 166 CO 0.02 -0.54 -0.19 0.08 -1.52 0.00 0.00 175.55 173.41 3g0b s VAL 167 N -3.34 2.52 -0.09 -3.49 1.01 0.48 -0.17 120.40 117.31 3g0b s VAL 167 Ca 0.01 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 3g0b s VAL 167 Cb 0.02 -2.01 0.04 0.00 0.00 0.00 0.00 36.38 34.43 3g0b s VAL 167 CO -0.08 0.54 0.22 0.86 0.00 0.00 0.00 175.10 176.64 3g0b s TRP 168 N 0.32 -0.28 -1.61 5.22 -0.00 -0.23 -0.54 118.94 121.82 3g0b s TRP 168 Ca -0.15 0.70 -0.15 0.00 -0.00 0.00 0.00 56.10 56.50 3g0b s TRP 168 Cb -0.17 0.03 0.12 0.00 -0.00 0.00 0.00 33.47 33.45 3g0b s TRP 168 CO 0.07 -0.20 0.83 0.09 -0.00 0.00 0.00 176.95 177.74 3g0b n ASN 169 N 4.02 -3.59 0.00 5.86 5.03 -1.26 -2.02 115.26 123.29 3g0b n ASN 169 Ca -0.23 -0.92 0.00 0.00 0.87 0.00 0.00 54.58 54.29 3g0b n ASN 169 Cb 0.54 -3.22 0.00 0.00 -1.02 0.00 0.00 39.78 36.08 3g0b n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3g0b n ASN 170 N -2.75 -3.87 -4.56 6.41 5.03 -1.26 -4.26 115.26 110.00 3g0b n ASN 170 Ca 0.03 0.00 -0.26 0.00 0.87 0.00 0.00 54.58 55.22 3g0b n ASN 170 Cb 0.52 -1.69 -0.09 0.00 -1.02 0.00 0.00 39.78 37.50 3g0b n ASN 170 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3g0b s ASP 171 N -2.05 4.15 -0.15 6.41 -0.00 -0.86 -1.33 116.67 122.84 3g0b s ASP 171 Ca 0.00 -0.66 -0.14 0.00 -0.00 0.00 0.00 52.55 51.75 3g0b s ASP 171 Cb 0.00 -0.65 -0.05 0.00 -0.00 0.00 0.00 42.92 42.22 3g0b s ASP 171 CO 0.00 0.08 0.29 -0.63 -0.00 0.00 0.00 175.17 174.92 3g0b s ILE 172 N -1.87 5.30 0.07 0.77 1.01 -1.26 -1.06 121.20 124.15 3g0b s ILE 172 Ca 0.26 0.55 0.08 0.00 0.00 0.00 0.00 60.65 61.54 3g0b s ILE 172 Cb -0.08 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 3g0b s ILE 172 CO 0.15 0.41 -0.21 -0.31 0.00 0.00 0.00 174.94 174.98 3g0b s TYR 173 N 0.33 1.85 -0.06 3.97 2.02 0.76 -0.39 117.35 125.82 3g0b s TYR 173 Ca 0.17 -0.39 0.05 0.00 -0.37 0.00 0.00 57.07 56.53 3g0b s TYR 173 Cb -0.13 -1.07 -0.00 0.00 -0.40 0.00 0.00 41.96 40.36 3g0b s TYR 173 CO 0.04 0.14 -0.21 0.08 -1.57 0.00 0.00 175.55 174.04 3g0b s VAL 174 N -0.94 1.77 -0.23 0.71 1.01 -0.34 -0.33 120.40 122.06 3g0b s VAL 174 Ca 0.08 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 3g0b s VAL 174 Cb -0.09 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.78 3g0b s VAL 174 CO 0.03 0.50 -0.07 -0.54 0.00 0.00 0.00 175.10 175.02 3g0b s LYS 175 N 0.03 3.08 0.02 2.72 1.02 0.25 -0.10 119.74 126.76 3g0b s LYS 175 Ca -0.07 -0.81 -0.20 0.00 0.02 0.00 0.00 55.97 54.91 3g0b s LYS 175 Cb -0.14 -2.95 -0.20 0.00 -0.52 0.00 0.00 37.83 34.03 3g0b s LYS 175 CO 0.04 -0.29 1.18 0.82 -0.92 0.00 0.00 175.35 176.17 3g0b h ILE 176 N 5.93 1.41 -4.50 2.17 1.08 -1.85 0.25 117.51 122.00 3g0b h ILE 176 Ca -0.38 -1.83 -0.70 0.00 -0.39 0.00 0.00 64.86 61.56 3g0b h ILE 176 Cb 1.13 2.35 -0.29 0.00 -3.07 0.00 0.00 36.82 36.95 3g0b h ILE 176 CO 0.60 0.54 -0.88 -1.61 -0.69 0.00 0.00 178.15 176.11 3g0b s GLU 177 N -3.55 2.10 0.58 2.37 0.41 -1.26 -4.09 118.70 115.25 3g0b s GLU 177 Ca -0.14 -0.94 0.28 0.00 -0.41 0.00 0.00 54.97 53.77 3g0b s GLU 177 Cb 0.04 -2.06 1.74 0.00 -1.78 0.00 0.00 34.13 32.06 3g0b s GLU 177 CO 0.80 0.56 2.22 -1.35 -0.49 0.00 0.00 175.26 177.00 3g0b h PRO 178 N 5.35 0.00 -0.03 0.39 0.11 -1.85 -2.15 132.00 133.82 3g0b h PRO 178 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3g0b h PRO 178 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3g0b h PRO 178 CO 0.47 0.00 -0.06 0.27 -0.21 0.00 0.00 178.00 178.46 3g0b n ASN 179 N -3.93 2.81 -4.94 -2.05 2.04 -1.26 -4.84 115.26 103.09 3g0b n ASN 179 Ca -0.02 -1.91 -0.26 0.00 -0.44 0.00 0.00 54.58 51.95 3g0b n ASN 179 Cb 0.12 0.07 -0.03 0.00 -2.53 0.00 0.00 39.78 37.41 3g0b n ASN 179 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 3g0b s LEU 180 N -2.01 4.28 0.41 -4.53 1.43 -0.81 -4.44 118.68 113.01 3g0b s LEU 180 Ca 0.26 0.27 -0.25 0.00 -1.03 0.00 0.00 54.13 53.38 3g0b s LEU 180 Cb 0.19 -3.03 -0.11 0.00 0.03 0.00 0.00 46.19 43.27 3g0b s LEU 180 CO 0.33 -0.01 1.11 -2.65 0.23 0.00 0.00 176.35 175.36 3g0b n PRO 181 N -0.68 1.57 -2.92 1.29 -0.02 -1.26 -4.83 135.00 128.15 3g0b n PRO 181 Ca -0.06 0.56 -0.37 0.00 -2.02 0.00 0.00 63.50 61.61 3g0b n PRO 181 Cb 0.54 -2.15 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 3g0b n PRO 181 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3g0b s SER 182 N -0.64 7.23 -0.19 2.55 1.04 -1.26 -4.76 113.70 117.67 3g0b s SER 182 Ca 0.62 1.65 -0.19 0.00 0.48 0.00 0.00 55.95 58.51 3g0b s SER 182 Cb -0.55 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.03 3g0b s SER 182 CO 0.58 -0.00 0.54 -0.31 0.98 0.00 0.00 173.24 175.02 3g0b s TYR 183 N -1.54 3.38 -0.14 5.02 2.02 0.85 -4.88 117.35 122.07 3g0b s TYR 183 Ca 0.46 0.81 -0.29 0.00 -0.37 0.00 0.00 57.07 57.68 3g0b s TYR 183 Cb -0.18 -2.69 -0.01 0.00 -0.40 0.00 0.00 41.96 38.68 3g0b s TYR 183 CO 0.23 -0.10 1.08 0.50 -1.57 0.00 0.00 175.55 175.69 3g0b s ARG 184 N 1.63 4.34 -0.16 -0.62 3.52 -1.26 -1.19 118.95 125.20 3g0b s ARG 184 Ca 0.25 1.47 -0.13 0.00 -0.13 0.00 0.00 55.73 57.19 3g0b s ARG 184 Cb -0.16 -3.60 -0.23 0.00 -1.56 0.00 0.00 34.95 29.41 3g0b s ARG 184 CO 0.10 -0.48 0.27 -0.89 -0.81 0.00 0.00 175.30 173.49 3g0b n ILE 185 N 4.88 1.67 -4.62 4.11 -0.00 0.48 -4.31 119.36 121.56 3g0b n ILE 185 Ca 0.11 -0.40 -0.27 0.00 -0.00 0.00 0.00 62.75 62.19 3g0b n ILE 185 Cb 0.47 -1.85 -0.14 0.00 -0.00 0.00 0.00 39.64 38.12 3g0b n ILE 185 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 3g0b s THR 186 N -2.48 1.82 -0.03 1.39 -4.23 -1.21 -4.72 115.64 106.18 3g0b s THR 186 Ca -0.26 -1.34 0.04 0.00 -1.18 0.00 0.00 61.69 58.96 3g0b s THR 186 Cb 0.07 -1.59 0.07 0.00 1.34 0.00 0.00 72.50 72.38 3g0b s THR 186 CO 0.69 0.19 0.92 0.79 -0.54 0.00 0.00 174.62 176.66 3g0b n TRP 187 N 1.64 0.00 0.47 3.99 7.02 -1.26 -4.41 117.44 124.89 3g0b n TRP 187 Ca -0.18 -0.43 0.06 0.00 -1.02 0.00 0.00 57.50 55.93 3g0b n TRP 187 Cb 0.53 -0.06 -0.07 0.00 -2.42 0.00 0.00 31.31 29.29 3g0b n TRP 187 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 3g0b n THR 188 N -0.53 0.00 -1.64 -0.99 -2.24 -1.26 -5.02 114.28 102.60 3g0b n THR 188 Ca 0.04 -0.23 -0.46 0.00 -2.27 0.00 0.00 64.05 61.12 3g0b n THR 188 Cb 0.47 0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 69.55 3g0b n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g0b n GLY 189 N 1.36 0.58 3.36 3.38 0.00 -1.26 -4.66 105.19 107.95 3g0b n GLY 189 Ca 0.02 0.52 -0.09 0.00 0.00 0.00 0.00 46.02 46.46 3g0b n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3g0b s LYS 190 N -0.34 0.44 -0.02 1.61 2.20 -0.57 -4.85 119.74 118.23 3g0b s LYS 190 Ca 0.70 0.97 -0.36 0.00 -0.36 0.00 0.00 55.97 56.92 3g0b s LYS 190 Cb -0.71 0.14 -0.14 0.00 -1.51 0.00 0.00 37.83 35.61 3g0b s LYS 190 CO 0.50 -0.18 1.63 -1.91 -0.36 0.00 0.00 175.35 175.02 3g0b n GLU 191 N 4.62 1.68 -0.81 4.03 2.13 -1.26 -0.48 120.64 130.54 3g0b n GLU 191 Ca -0.19 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.25 3g0b n GLU 191 Cb 0.54 -2.35 0.00 0.00 0.27 0.00 0.00 31.44 29.90 3g0b n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3g0b n ASP 192 N 4.41 -0.78 0.07 4.31 8.00 -1.26 -4.77 116.55 126.53 3g0b n ASP 192 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.71 3g0b n ASP 192 Cb 0.23 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.04 3g0b n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3g0b n ILE 193 N -2.10 0.59 -4.40 0.53 5.41 0.37 -4.54 119.36 115.22 3g0b n ILE 193 Ca 0.00 0.19 -0.34 0.00 1.00 0.00 0.00 62.75 63.61 3g0b n ILE 193 Cb 0.04 -1.04 -0.15 0.00 -0.71 0.00 0.00 39.64 37.79 3g0b n ILE 193 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3g0b s ILE 194 N -1.79 2.96 -0.26 1.39 -1.09 -0.22 0.40 121.20 122.58 3g0b s ILE 194 Ca 0.00 -0.66 0.03 0.00 -2.23 0.00 0.00 60.65 57.79 3g0b s ILE 194 Cb 0.00 -2.28 0.06 0.00 -1.58 0.00 0.00 42.46 38.66 3g0b s ILE 194 CO 0.00 0.49 -0.10 -0.31 -1.23 0.00 0.00 174.94 173.79 3g0b s TYR 195 N 0.87 3.29 -0.32 3.97 1.51 0.08 -1.51 117.35 125.24 3g0b s TYR 195 Ca -0.03 -2.35 -0.10 0.00 -1.01 0.00 0.00 57.07 53.58 3g0b s TYR 195 Cb -0.15 -1.97 -0.00 0.00 -0.11 0.00 0.00 41.96 39.73 3g0b s TYR 195 CO -0.00 -0.88 0.16 -0.80 -1.11 0.00 0.00 175.55 172.91 3g0b s ASN 196 N 1.09 5.55 0.00 2.29 0.01 -0.44 -1.11 114.94 122.33 3g0b s ASN 196 Ca -0.08 -0.60 0.00 0.00 -0.71 0.00 0.00 52.86 51.46 3g0b s ASN 196 Cb -0.20 -2.00 0.00 0.00 0.41 0.00 0.00 41.25 39.46 3g0b s ASN 196 CO -0.05 -0.22 0.00 0.61 -1.51 0.00 0.00 177.10 175.93 3g0b n GLY 197 N 4.98 1.03 3.27 0.66 0.00 -0.73 -4.28 105.19 110.11 3g0b n GLY 197 Ca -0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 3g0b n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3g0b s ILE 198 N -3.81 1.38 0.33 -0.61 -4.36 -1.26 -0.00 121.20 112.87 3g0b s ILE 198 Ca 0.00 -1.94 -0.01 0.00 -0.26 0.00 0.00 60.65 58.44 3g0b s ILE 198 Cb 0.00 -1.75 -0.04 0.00 1.25 0.00 0.00 42.46 41.93 3g0b s ILE 198 CO 0.00 -0.56 0.55 0.42 0.24 0.00 0.00 174.94 175.59 3g0b s THR 199 N -2.69 5.08 0.68 8.37 -4.23 0.77 -4.68 115.64 118.94 3g0b s THR 199 Ca 0.14 -0.29 -0.01 0.00 -1.18 0.00 0.00 61.69 60.35 3g0b s THR 199 Cb -0.02 -3.82 0.14 0.00 1.34 0.00 0.00 72.50 70.14 3g0b s THR 199 CO 0.03 -0.49 0.93 -0.90 -0.54 0.00 0.00 174.62 173.65 3g0b n ASP 200 N -1.52 1.16 -0.10 3.99 3.85 -1.26 -4.78 116.55 117.89 3g0b n ASP 200 Ca -0.04 -2.00 -0.06 0.00 -0.71 0.00 0.00 54.79 51.99 3g0b n ASP 200 Cb 0.55 -0.61 0.01 0.00 -1.35 0.00 0.00 41.12 39.72 3g0b n ASP 200 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.20 175.94 3g0b h TRP 201 N -0.66 -0.10 -0.01 2.11 7.01 -2.00 0.35 115.95 122.65 3g0b h TRP 201 Ca -0.31 0.03 -0.21 0.00 2.11 0.00 0.00 58.89 60.51 3g0b h TRP 201 Cb 1.11 0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 28.26 3g0b h TRP 201 CO 0.00 -0.11 -0.88 -0.24 -2.79 0.00 0.00 178.44 174.43 3g0b h VAL 202 N 0.05 1.43 -0.12 2.65 3.04 -1.95 -1.72 116.25 119.63 3g0b h VAL 202 Ca 0.17 -2.44 -0.14 0.00 -1.01 0.00 0.00 66.70 63.28 3g0b h VAL 202 Cb 0.25 2.37 -0.01 0.00 -2.01 0.00 0.00 31.29 31.89 3g0b h VAL 202 CO -0.32 0.72 -0.53 1.88 -1.01 0.00 0.00 177.57 178.32 3g0b h TYR 203 N 0.20 0.42 -0.16 3.17 -1.99 -1.87 0.26 116.97 117.00 3g0b h TYR 203 Ca -0.06 -0.14 -0.02 0.00 2.00 0.00 0.00 58.73 60.51 3g0b h TYR 203 Cb 1.50 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 40.14 3g0b h TYR 203 CO 0.05 0.80 0.03 1.49 -0.00 0.00 0.00 178.16 180.52 3g0b h GLU 204 N 0.27 0.27 0.18 4.88 4.81 -0.76 -0.58 114.58 123.65 3g0b h GLU 204 Ca 0.01 -0.07 -0.32 0.00 -0.13 0.00 0.00 59.36 58.85 3g0b h GLU 204 Cb 1.02 -0.03 0.03 0.00 0.63 0.00 0.00 28.75 30.40 3g0b h GLU 204 CO 0.09 0.44 -1.35 1.49 -0.73 0.00 0.00 179.01 178.95 3g0b h GLU 205 N 0.05 0.58 0.00 1.92 4.57 -1.26 -2.62 114.58 117.83 3g0b h GLU 205 Ca 0.05 -0.86 0.00 0.00 -1.18 0.00 0.00 59.36 57.36 3g0b h GLU 205 Cb 0.30 0.30 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 3g0b h GLU 205 CO 0.00 1.40 -0.66 0.39 -1.18 0.00 0.00 179.01 178.96 3g0b n GLU 206 N -3.75 3.11 -0.00 1.92 -0.58 0.07 -4.59 120.64 116.82 3g0b n GLU 206 Ca -0.15 -0.02 -0.04 0.00 -0.42 0.00 0.00 57.16 56.53 3g0b n GLU 206 Cb 1.04 -0.89 -0.01 0.00 -0.57 0.00 0.00 31.44 31.00 3g0b n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3g0b n VAL 207 N -1.36 0.98 0.69 2.62 0.31 -1.00 -4.87 118.33 115.71 3g0b n VAL 207 Ca 0.00 0.19 0.08 0.00 -0.01 0.00 0.00 64.34 64.61 3g0b n VAL 207 Cb 0.10 -1.71 -0.10 0.00 -0.91 0.00 0.00 33.84 31.21 3g0b n VAL 207 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3g0b n PHE 208 N -3.59 0.00 -3.56 3.52 3.72 -0.26 -4.97 117.46 112.32 3g0b n PHE 208 Ca -0.07 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.07 3g0b n PHE 208 Cb 0.29 -0.06 0.01 0.00 -0.94 0.00 0.00 39.48 38.78 3g0b n PHE 208 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3g0b n SER 209 N -1.52 -4.54 -3.51 4.37 7.64 -1.00 -4.91 113.62 110.15 3g0b n SER 209 Ca 0.02 -0.55 -0.11 0.00 1.01 0.00 0.00 58.87 59.24 3g0b n SER 209 Cb 0.30 -3.68 -0.03 0.00 -1.01 0.00 0.00 64.21 59.79 3g0b n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3g0b s ALA 210 N -3.13 -1.79 0.02 -0.43 0.00 -1.12 -4.95 121.76 110.36 3g0b s ALA 210 Ca 0.50 1.09 0.03 0.00 0.00 0.00 0.00 51.96 53.58 3g0b s ALA 210 Cb -0.25 0.20 -0.25 0.00 0.00 0.00 0.00 23.12 22.82 3g0b s ALA 210 CO 0.62 -0.57 0.90 -0.92 0.00 0.00 0.00 175.76 175.79 3g0b h TYR 211 N 2.28 0.24 -3.90 0.00 -0.00 -1.88 -3.38 116.97 110.34 3g0b h TYR 211 Ca -0.24 -0.18 -0.48 0.00 -0.00 0.00 0.00 58.73 57.83 3g0b h TYR 211 Cb 1.22 -0.01 0.01 0.00 -0.00 0.00 0.00 36.73 37.95 3g0b h TYR 211 CO 0.28 1.21 0.41 -1.54 -0.00 0.00 0.00 178.16 178.52 3g0b s SER 212 N -6.71 7.04 -0.36 -2.11 1.04 -1.26 -0.16 113.70 111.18 3g0b s SER 212 Ca -0.06 2.05 0.15 0.00 0.48 0.00 0.00 55.95 58.56 3g0b s SER 212 Cb 0.08 -2.60 0.43 0.00 0.10 0.00 0.00 66.02 64.04 3g0b s SER 212 CO 0.84 -0.29 0.94 0.00 0.98 0.00 0.00 173.24 175.71 3g0b n ALA 213 N 0.44 3.51 -3.34 5.32 0.00 1.00 -4.68 120.51 122.75 3g0b n ALA 213 Ca 0.03 -3.42 -0.26 0.00 0.00 0.00 0.00 53.44 49.78 3g0b n ALA 213 Cb 0.48 -0.87 -0.17 0.00 0.00 0.00 0.00 19.45 18.90 3g0b n ALA 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3g0b s LEU 214 N -3.10 1.78 -0.28 0.00 1.43 -1.24 -2.28 118.68 114.99 3g0b s LEU 214 Ca 0.33 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 3g0b s LEU 214 Cb 0.43 -0.98 0.09 0.00 0.03 0.00 0.00 46.19 45.76 3g0b s LEU 214 CO -0.02 0.08 0.09 0.26 0.23 0.00 0.00 176.35 176.99 3g0b s TRP 215 N 0.52 1.24 0.39 0.29 0.51 0.17 -4.99 118.94 117.06 3g0b s TRP 215 Ca -0.15 -1.34 -0.26 0.00 -2.12 0.00 0.00 56.10 52.23 3g0b s TRP 215 Cb -0.16 -1.37 -0.09 0.00 -0.81 0.00 0.00 33.47 31.04 3g0b s TRP 215 CO 0.05 -0.81 1.25 -1.58 -0.51 0.00 0.00 176.95 175.36 3g0b s TRP 216 N 1.78 2.95 0.67 -1.98 0.52 -1.26 -1.01 118.94 120.62 3g0b s TRP 216 Ca 0.07 1.47 -0.15 0.00 0.02 0.00 0.00 56.10 57.51 3g0b s TRP 216 Cb -0.17 -3.57 0.01 0.00 -1.15 0.00 0.00 33.47 28.59 3g0b s TRP 216 CO -0.24 -1.76 1.13 -1.54 0.02 0.00 0.00 176.95 174.56 3g0b s SER 217 N -0.83 4.89 0.33 2.95 1.04 0.16 -4.89 113.70 117.35 3g0b s SER 217 Ca 0.55 2.09 0.12 0.00 0.48 0.00 0.00 55.95 59.19 3g0b s SER 217 Cb -0.36 -2.56 0.98 0.00 0.10 0.00 0.00 66.02 64.19 3g0b s SER 217 CO 0.46 -1.78 1.69 -0.65 0.98 0.00 0.00 173.24 173.94 3g0b h PRO 218 N -0.02 0.41 -0.22 4.02 0.11 -1.91 0.36 132.00 134.75 3g0b h PRO 218 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3g0b h PRO 218 Cb 1.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3g0b h PRO 218 CO 0.53 0.27 0.00 0.27 -0.21 0.00 0.00 178.00 178.86 3g0b n ASN 219 N -4.99 2.87 0.00 -2.05 0.23 -1.26 -4.25 115.26 105.81 3g0b n ASN 219 Ca 0.29 -1.91 0.00 0.00 -0.53 0.00 0.00 54.58 52.43 3g0b n ASN 219 Cb 0.87 -0.14 0.00 0.00 -2.08 0.00 0.00 39.78 38.43 3g0b n ASN 219 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3g0b n GLY 220 N 1.37 0.81 0.18 4.83 0.00 0.13 -4.57 105.19 107.94 3g0b n GLY 220 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 3g0b n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3g0b h THR 221 N 0.00 0.67 -2.95 2.61 2.02 -1.94 -3.44 112.91 109.88 3g0b h THR 221 Ca 0.00 0.00 -0.67 0.00 0.77 0.00 0.00 66.41 66.51 3g0b h THR 221 Cb 0.00 0.67 -0.11 0.00 -1.74 0.00 0.00 68.15 66.97 3g0b h THR 221 CO 0.00 0.00 -0.54 -0.36 0.37 0.00 0.00 175.52 174.99 3g0b s PHE 222 N -6.15 3.40 -0.31 3.16 0.08 -1.26 -0.82 117.98 116.09 3g0b s PHE 222 Ca -0.14 0.37 -0.05 0.00 0.12 0.00 0.00 56.93 57.23 3g0b s PHE 222 Cb 0.09 -1.88 0.04 0.00 -0.57 0.00 0.00 43.02 40.69 3g0b s PHE 222 CO 0.67 0.60 0.05 -1.17 -0.10 0.00 0.00 175.22 175.27 3g0b s LEU 223 N -0.90 4.00 0.03 -0.37 2.96 0.52 -0.66 118.68 124.25 3g0b s LEU 223 Ca 0.14 -1.09 -0.16 0.00 -0.22 0.00 0.00 54.13 52.80 3g0b s LEU 223 Cb -0.12 -1.80 -0.06 0.00 0.50 0.00 0.00 46.19 44.71 3g0b s LEU 223 CO 0.03 -0.27 0.46 0.00 -1.32 0.00 0.00 176.35 175.26 3g0b s ALA 224 N 1.36 3.66 0.03 5.97 0.00 -0.18 -0.45 121.76 132.15 3g0b s ALA 224 Ca -0.02 -0.14 -0.12 0.00 0.00 0.00 0.00 51.96 51.68 3g0b s ALA 224 Cb -0.19 -2.47 0.02 0.00 0.00 0.00 0.00 23.12 20.48 3g0b s ALA 224 CO 0.01 0.46 0.27 1.52 0.00 0.00 0.00 175.76 178.01 3g0b s TYR 225 N -1.10 -0.07 0.18 0.00 -0.85 0.11 0.43 117.35 116.05 3g0b s TYR 225 Ca 0.26 -0.03 0.02 0.00 -0.52 0.00 0.00 57.07 56.80 3g0b s TYR 225 Cb -0.18 0.05 -0.04 0.00 0.38 0.00 0.00 41.96 42.18 3g0b s TYR 225 CO 0.15 -0.44 0.33 0.00 -1.52 0.00 0.00 175.55 174.07 3g0b s ALA 226 N -2.18 3.92 -0.12 9.51 0.00 -0.97 -0.51 121.76 131.41 3g0b s ALA 226 Ca -0.08 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 3g0b s ALA 226 Cb -0.02 -1.84 0.03 0.00 0.00 0.00 0.00 23.12 21.29 3g0b s ALA 226 CO -0.01 0.46 -0.05 -1.14 0.00 0.00 0.00 175.76 175.02 3g0b s GLN 227 N -3.38 1.31 -0.07 0.00 0.74 0.31 -1.77 119.66 116.82 3g0b s GLN 227 Ca 0.36 -0.28 -0.04 0.00 0.05 0.00 0.00 55.36 55.45 3g0b s GLN 227 Cb -0.11 -1.63 -0.04 0.00 1.10 0.00 0.00 33.01 32.33 3g0b s GLN 227 CO 0.29 -0.34 0.12 -0.06 -0.55 0.00 0.00 175.29 174.76 3g0b s PHE 228 N 1.74 3.47 -0.22 1.67 0.08 -0.27 -1.02 117.98 123.43 3g0b s PHE 228 Ca 0.04 0.38 -0.00 0.00 0.12 0.00 0.00 56.93 57.47 3g0b s PHE 228 Cb -0.13 -1.86 0.06 0.00 -0.57 0.00 0.00 43.02 40.52 3g0b s PHE 228 CO -0.08 0.65 -0.03 1.21 -0.10 0.00 0.00 175.22 176.87 3g0b s ASN 229 N -1.36 3.54 -0.24 1.36 3.84 -0.30 -0.74 114.94 121.03 3g0b s ASN 229 Ca 0.19 -1.06 0.14 0.00 0.21 0.00 0.00 52.86 52.35 3g0b s ASN 229 Cb -0.12 -1.00 0.79 0.00 -0.55 0.00 0.00 41.25 40.37 3g0b s ASN 229 CO 0.09 -0.26 1.72 0.47 -2.79 0.00 0.00 177.10 176.33 3g0b n ASP 230 N 4.79 5.48 -0.27 -4.21 9.92 0.16 -2.09 116.55 130.33 3g0b n ASP 230 Ca -0.11 -2.97 0.08 0.00 -0.53 0.00 0.00 54.79 51.26 3g0b n ASP 230 Cb 0.45 -0.67 0.22 0.00 -0.64 0.00 0.00 41.12 40.47 3g0b n ASP 230 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 3g0b h THR 231 N 3.65 0.48 -0.34 -3.53 2.02 -1.84 -2.19 112.91 111.16 3g0b h THR 231 Ca 0.02 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3g0b h THR 231 Cb 1.95 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 3g0b h THR 231 CO 0.48 0.05 0.00 -0.62 0.37 0.00 0.00 175.52 175.80 3g0b n GLU 232 N -5.15 2.71 -2.33 6.66 1.02 -1.26 -4.95 120.64 117.34 3g0b n GLU 232 Ca 0.16 -2.01 -0.42 0.00 -0.02 0.00 0.00 57.16 54.87 3g0b n GLU 232 Cb 0.52 -1.27 -0.03 0.00 -0.02 0.00 0.00 31.44 30.64 3g0b n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3g0b s VAL 233 N -1.00 4.00 0.70 2.62 1.01 -0.83 -4.69 120.40 122.22 3g0b s VAL 233 Ca 0.23 1.32 -0.13 0.00 0.00 0.00 0.00 61.98 63.41 3g0b s VAL 233 Cb 0.12 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.67 3g0b s VAL 233 CO 0.16 -0.03 1.10 -2.84 0.00 0.00 0.00 175.10 173.49 3g0b s PRO 234 N 2.67 2.62 -0.21 2.72 0.02 -1.26 -4.64 135.00 136.92 3g0b s PRO 234 Ca 0.60 1.28 -0.10 0.00 0.02 0.00 0.00 61.00 62.79 3g0b s PRO 234 Cb -0.27 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.26 3g0b s PRO 234 CO 0.23 -1.38 0.14 -0.51 -0.33 0.00 0.00 177.00 175.15 3g0b s LEU 235 N -5.29 4.19 0.14 -5.54 1.43 -1.26 -0.77 118.68 111.58 3g0b s LEU 235 Ca 0.64 0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 53.65 3g0b s LEU 235 Cb -0.19 -2.10 -0.07 0.00 0.03 0.00 0.00 46.19 43.86 3g0b s LEU 235 CO 0.47 0.15 1.15 -0.51 0.23 0.00 0.00 176.35 177.84 3g0b s ILE 236 N 0.55 3.88 -0.06 -0.59 1.10 0.07 -4.81 121.20 121.34 3g0b s ILE 236 Ca 0.08 1.51 0.05 0.00 -0.51 0.00 0.00 60.65 61.78 3g0b s ILE 236 Cb -0.12 -3.97 -0.00 0.00 0.15 0.00 0.00 42.46 38.52 3g0b s ILE 236 CO -0.00 0.21 -0.21 -1.61 -2.11 0.00 0.00 174.94 171.22 3g0b s GLU 237 N 0.14 2.26 0.12 3.50 2.02 -1.26 -0.52 118.70 124.96 3g0b s GLU 237 Ca 0.53 -0.74 -0.09 0.00 0.02 0.00 0.00 54.97 54.70 3g0b s GLU 237 Cb -0.30 -1.88 -0.01 0.00 0.10 0.00 0.00 34.13 32.05 3g0b s GLU 237 CO 0.33 0.26 0.23 1.52 0.02 0.00 0.00 175.26 177.62 3g0b s TYR 238 N 0.09 0.27 0.27 1.61 -0.85 -0.46 -4.99 117.35 113.29 3g0b s TYR 238 Ca -0.08 -0.67 -0.29 0.00 -0.52 0.00 0.00 57.07 55.52 3g0b s TYR 238 Cb -0.14 -0.07 -0.09 0.00 0.38 0.00 0.00 41.96 42.04 3g0b s TYR 238 CO 0.04 -0.62 0.94 -1.12 -1.52 0.00 0.00 175.55 173.28 3g0b s SER 239 N -2.91 7.53 -0.14 -0.18 0.01 -1.26 -0.30 113.70 116.44 3g0b s SER 239 Ca 0.10 1.91 0.00 0.00 1.31 0.00 0.00 55.95 59.28 3g0b s SER 239 Cb 0.04 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.70 3g0b s SER 239 CO -0.06 0.07 -0.13 0.12 0.41 0.00 0.00 173.24 173.65 3g0b s PHE 240 N -1.34 2.04 0.02 2.43 2.19 0.29 -4.65 117.98 118.96 3g0b s PHE 240 Ca 0.44 -1.12 0.10 0.00 0.33 0.00 0.00 56.93 56.69 3g0b s PHE 240 Cb -0.23 -1.52 -0.22 0.00 -1.31 0.00 0.00 43.02 39.73 3g0b s PHE 240 CO 0.29 -0.63 0.92 1.88 1.83 0.00 0.00 175.22 179.51 3g0b h TYR 241 N 8.01 0.00 -0.95 10.12 -1.99 -1.96 0.39 116.97 130.59 3g0b h TYR 241 Ca -0.36 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.37 3g0b h TYR 241 Cb 1.14 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.87 3g0b h TYR 241 CO 0.47 0.99 0.00 0.45 -0.00 0.00 0.00 178.16 180.07 3g0b n SER 242 N -3.16 -2.85 -4.75 3.88 2.88 -1.26 -4.71 113.62 103.65 3g0b n SER 242 Ca -0.10 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.08 3g0b n SER 242 Cb 1.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.50 3g0b n SER 242 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 3g0b s ASP 243 N -4.00 5.06 0.55 -3.46 1.01 -1.26 -4.88 116.67 109.69 3g0b s ASP 243 Ca 0.00 2.43 0.44 0.00 0.71 0.00 0.00 52.55 56.14 3g0b s ASP 243 Cb 0.00 -2.60 1.65 0.00 1.01 0.00 0.00 42.92 42.98 3g0b s ASP 243 CO 0.00 -1.68 1.68 -0.08 0.21 0.00 0.00 175.17 175.29 3g0b h GLU 244 N 0.80 0.00 0.00 8.23 4.81 -2.05 0.56 114.58 126.93 3g0b h GLU 244 Ca -0.51 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3g0b h GLU 244 Cb 1.31 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 3g0b h GLU 244 CO 0.55 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 179.49 3g0b h SER 245 N 0.00 0.00 -3.06 1.04 4.64 -1.93 -3.42 113.55 110.83 3g0b h SER 245 Ca 0.78 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.53 3g0b h SER 245 Cb 3.10 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 65.14 3g0b h SER 245 CO -0.02 0.00 1.08 -0.22 -0.87 0.00 0.00 176.83 176.80 3g0b s LEU 246 N -5.59 3.73 0.07 5.97 0.20 0.18 -4.91 118.68 118.33 3g0b s LEU 246 Ca 0.03 1.16 -0.19 0.00 0.69 0.00 0.00 54.13 55.83 3g0b s LEU 246 Cb 0.09 -3.54 -0.11 0.00 -0.43 0.00 0.00 46.19 42.20 3g0b s LEU 246 CO 0.50 -1.33 1.42 -0.61 -0.29 0.00 0.00 176.35 176.05 3g0b h GLN 247 N 10.56 0.46 -5.26 1.98 4.15 -1.88 -3.42 115.11 121.69 3g0b h GLN 247 Ca -0.29 -0.21 -0.67 0.00 0.77 0.00 0.00 58.65 58.26 3g0b h GLN 247 Cb 1.12 -0.01 -0.30 0.00 0.21 0.00 0.00 27.48 28.50 3g0b h GLN 247 CO 1.05 0.75 -0.81 0.71 -1.93 0.00 0.00 178.83 178.59 3g0b s TYR 248 N -4.54 2.74 0.75 3.99 2.02 -1.26 -5.11 117.35 115.95 3g0b s TYR 248 Ca -0.14 -0.93 -0.15 0.00 -0.37 0.00 0.00 57.07 55.48 3g0b s TYR 248 Cb 0.07 -1.83 0.00 0.00 -0.40 0.00 0.00 41.96 39.79 3g0b s TYR 248 CO 0.77 -0.39 0.77 -2.30 -1.57 0.00 0.00 175.55 172.83 3g0b n PRO 249 N 3.78 0.31 -3.81 -1.71 -0.02 -1.26 -5.01 135.00 127.27 3g0b n PRO 249 Ca -0.19 0.16 -0.35 0.00 -2.02 0.00 0.00 63.50 61.10 3g0b n PRO 249 Cb 0.52 -2.06 -0.05 0.00 -0.02 0.00 0.00 33.50 31.89 3g0b n PRO 249 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3g0b s LYS 250 N -3.23 3.53 -0.31 -0.52 2.20 0.13 -4.90 119.74 116.63 3g0b s LYS 250 Ca 0.69 -0.12 -0.18 0.00 -0.36 0.00 0.00 55.97 56.00 3g0b s LYS 250 Cb -0.33 -3.12 -0.01 0.00 -1.51 0.00 0.00 37.83 32.86 3g0b s LYS 250 CO 0.55 0.69 0.49 0.99 -0.36 0.00 0.00 175.35 177.72 3g0b s THR 251 N -1.22 5.05 0.05 3.43 2.01 -1.26 0.11 115.64 123.81 3g0b s THR 251 Ca 0.24 0.52 -0.26 0.00 0.31 0.00 0.00 61.69 62.50 3g0b s THR 251 Cb -0.13 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 3g0b s THR 251 CO 0.13 -0.08 0.80 -0.69 -0.69 0.00 0.00 174.62 174.09 3g0b s VAL 252 N 2.32 4.72 -0.10 3.82 1.01 0.58 -4.93 120.40 127.83 3g0b s VAL 252 Ca 0.19 1.70 0.01 0.00 0.00 0.00 0.00 61.98 63.88 3g0b s VAL 252 Cb -0.16 -4.15 0.02 0.00 0.00 0.00 0.00 36.38 32.09 3g0b s VAL 252 CO 0.12 0.34 -0.13 -0.13 0.00 0.00 0.00 175.10 175.30 3g0b s ARG 253 N 0.05 1.95 -0.07 2.72 0.52 -1.26 -1.35 118.95 121.52 3g0b s ARG 253 Ca 0.40 -0.46 -0.00 0.00 -0.52 0.00 0.00 55.73 55.15 3g0b s ARG 253 Cb -0.21 -1.72 0.02 0.00 0.52 0.00 0.00 34.95 33.57 3g0b s ARG 253 CO 0.24 -0.09 -0.03 0.08 0.02 0.00 0.00 175.30 175.52 3g0b s VAL 254 N 1.09 0.53 -0.03 3.52 1.01 0.32 -4.95 120.40 121.89 3g0b s VAL 254 Ca -0.05 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 3g0b s VAL 254 Cb -0.14 -0.62 -0.08 0.00 0.00 0.00 0.00 36.38 35.54 3g0b s VAL 254 CO -0.02 0.26 2.04 -2.65 0.00 0.00 0.00 175.10 174.73 3g0b n PRO 255 N 4.69 2.65 -3.41 2.72 -0.02 -1.26 -0.75 135.00 139.62 3g0b n PRO 255 Ca -0.15 0.92 -0.12 0.00 -2.02 0.00 0.00 63.50 62.14 3g0b n PRO 255 Cb 0.50 -3.08 -0.10 0.00 -0.02 0.00 0.00 33.50 30.81 3g0b n PRO 255 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3g0b s TYR 256 N 5.49 -0.65 -0.35 6.00 5.04 0.05 -4.51 117.35 128.42 3g0b s TYR 256 Ca 0.92 0.66 -0.27 0.00 -2.44 0.00 0.00 57.07 55.94 3g0b s TYR 256 Cb -0.41 -0.10 0.02 0.00 0.35 0.00 0.00 41.96 41.82 3g0b s TYR 256 CO 0.40 -0.67 0.98 -1.25 -1.34 0.00 0.00 175.55 173.67 3g0b s PRO 257 N 2.48 3.92 0.73 4.97 0.04 -1.26 -4.45 135.00 141.43 3g0b s PRO 257 Ca 0.10 0.75 -0.10 0.00 0.04 0.00 0.00 61.00 61.80 3g0b s PRO 257 Cb -0.15 -3.78 0.05 0.00 0.04 0.00 0.00 34.50 30.66 3g0b s PRO 257 CO -0.14 -0.93 1.08 0.15 0.04 0.00 0.00 177.00 177.19 3g0b s LYS 258 N 3.55 2.38 0.09 4.56 1.02 -1.26 -0.56 119.74 129.52 3g0b s LYS 258 Ca 0.41 0.10 -0.34 0.00 0.02 0.00 0.00 55.97 56.15 3g0b s LYS 258 Cb -0.12 -2.06 -0.14 0.00 -0.52 0.00 0.00 37.83 34.99 3g0b s LYS 258 CO 0.18 -1.24 1.63 0.00 -0.92 0.00 0.00 175.35 174.99 3g0b n ALA 259 N -3.04 1.01 -0.98 5.17 0.00 0.47 -1.16 120.51 121.97 3g0b n ALA 259 Ca 0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3g0b n ALA 259 Cb 0.59 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.69 3g0b n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g0b n GLY 260 N 3.58 0.49 3.97 0.00 0.00 -1.26 -4.79 105.19 107.19 3g0b n GLY 260 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 3g0b n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g0b s ALA 261 N -2.14 3.43 0.07 4.61 0.00 -0.30 -5.00 121.76 122.42 3g0b s ALA 261 Ca 0.00 -1.52 -0.31 0.00 0.00 0.00 0.00 51.96 50.13 3g0b s ALA 261 Cb 0.00 -2.20 -0.08 0.00 0.00 0.00 0.00 23.12 20.85 3g0b s ALA 261 CO 0.00 -1.53 1.51 0.08 0.00 0.00 0.00 175.76 175.82 3g0b s VAL 262 N -3.24 3.25 0.44 0.00 1.01 -1.26 -4.93 120.40 115.68 3g0b s VAL 262 Ca 0.66 0.76 -0.05 0.00 0.00 0.00 0.00 61.98 63.35 3g0b s VAL 262 Cb -0.06 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3g0b s VAL 262 CO 0.45 0.02 0.73 0.20 0.00 0.00 0.00 175.10 176.50 3g0b s ASN 263 N 1.85 6.30 0.67 3.32 0.01 -1.26 -4.43 114.94 121.40 3g0b s ASN 263 Ca 0.68 0.86 -0.17 0.00 -0.71 0.00 0.00 52.86 53.52 3g0b s ASN 263 Cb -0.37 -2.22 -0.01 0.00 0.41 0.00 0.00 41.25 39.07 3g0b s ASN 263 CO 0.30 -0.50 1.10 -0.81 -1.51 0.00 0.00 177.10 175.68 3g0b n PRO 264 N -2.02 0.80 -4.06 -0.60 -0.04 -1.26 -4.74 135.00 123.08 3g0b n PRO 264 Ca -0.00 0.33 -0.24 0.00 -0.04 0.00 0.00 63.50 63.54 3g0b n PRO 264 Cb 0.55 -2.33 -0.04 0.00 -0.04 0.00 0.00 33.50 31.63 3g0b n PRO 264 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3g0b s THR 265 N -1.60 4.66 -0.00 0.52 -4.23 -0.89 -4.93 115.64 109.18 3g0b s THR 265 Ca 0.78 -1.12 0.04 0.00 -1.18 0.00 0.00 61.69 60.22 3g0b s THR 265 Cb -0.37 -3.44 -0.01 0.00 1.34 0.00 0.00 72.50 70.01 3g0b s THR 265 CO 0.45 -0.20 -0.14 0.54 -0.54 0.00 0.00 174.62 174.74 3g0b s VAL 266 N -1.89 1.11 0.15 2.29 0.11 -1.26 -1.15 120.40 119.75 3g0b s VAL 266 Ca 0.32 -0.67 0.07 0.00 -2.93 0.00 0.00 61.98 58.77 3g0b s VAL 266 Cb -0.09 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.78 3g0b s VAL 266 CO 0.25 0.26 -0.16 -0.54 -3.33 0.00 0.00 175.10 171.58 3g0b s LYS 267 N -0.48 1.16 -0.04 1.54 1.02 -0.19 -4.98 119.74 117.78 3g0b s LYS 267 Ca 0.05 -1.35 0.03 0.00 0.02 0.00 0.00 55.97 54.72 3g0b s LYS 267 Cb -0.06 -1.12 0.00 0.00 -0.52 0.00 0.00 37.83 36.14 3g0b s LYS 267 CO -0.00 0.22 -0.14 0.12 -0.92 0.00 0.00 175.35 174.63 3g0b s PHE 268 N -2.18 1.44 0.08 3.18 5.36 -1.26 -0.53 117.98 124.07 3g0b s PHE 268 Ca 0.13 -0.41 0.02 0.00 -0.96 0.00 0.00 56.93 55.71 3g0b s PHE 268 Cb -0.05 -0.99 -0.03 0.00 -0.34 0.00 0.00 43.02 41.61 3g0b s PHE 268 CO 0.05 -0.16 -0.08 -0.06 -1.46 0.00 0.00 175.22 173.51 3g0b s PHE 269 N 0.16 0.86 -0.04 10.12 0.40 0.33 -0.32 117.98 129.49 3g0b s PHE 269 Ca -0.05 -0.70 0.01 0.00 -0.60 0.00 0.00 56.93 55.60 3g0b s PHE 269 Cb -0.11 -0.50 0.02 0.00 0.51 0.00 0.00 43.02 42.95 3g0b s PHE 269 CO 0.02 -0.09 -0.05 0.08 0.70 0.00 0.00 175.22 175.88 3g0b s VAL 270 N -2.51 0.58 -0.03 -0.44 1.01 0.11 0.07 120.40 119.19 3g0b s VAL 270 Ca 0.02 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 61.92 3g0b s VAL 270 Cb -0.02 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 3g0b s VAL 270 CO -0.02 0.23 -0.25 0.54 0.00 0.00 0.00 175.10 175.60 3g0b s VAL 271 N 0.86 2.01 -0.53 2.92 0.11 0.40 -0.59 120.40 125.58 3g0b s VAL 271 Ca -0.12 -1.07 -0.26 0.00 -2.93 0.00 0.00 61.98 57.60 3g0b s VAL 271 Cb -0.15 -1.68 0.03 0.00 -1.53 0.00 0.00 36.38 33.06 3g0b s VAL 271 CO 0.01 0.57 1.02 0.21 -3.33 0.00 0.00 175.10 173.57 3g0b s ASN 272 N -0.45 6.43 0.00 3.54 3.84 -1.26 -0.35 114.94 126.68 3g0b s ASN 272 Ca 0.05 -0.06 0.26 0.00 0.21 0.00 0.00 52.86 53.32 3g0b s ASN 272 Cb -0.11 -2.48 1.15 0.00 -0.55 0.00 0.00 41.25 39.27 3g0b s ASN 272 CO 0.01 -1.26 1.85 0.35 -2.79 0.00 0.00 177.10 175.26 3g0b n THR 273 N 6.42 0.20 0.14 -5.21 -2.24 0.00 -3.20 114.28 110.39 3g0b n THR 273 Ca 0.05 0.05 0.08 0.00 -2.27 0.00 0.00 64.05 61.97 3g0b n THR 273 Cb 0.48 -0.60 0.06 0.00 -2.10 0.00 0.00 70.33 68.16 3g0b n THR 273 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3g0b h ASP 274 N 0.00 0.00 -0.26 3.42 3.45 -1.90 -3.34 116.42 117.79 3g0b h ASP 274 Ca 0.00 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.39 3g0b h ASP 274 Cb 0.41 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.14 3g0b h ASP 274 CO 0.00 0.17 -0.03 -1.54 -1.57 0.00 0.00 179.24 176.27 3g0b n SER 275 N -2.96 3.17 -4.75 6.45 3.41 -1.20 -5.01 113.62 112.73 3g0b n SER 275 Ca 0.01 -3.31 -0.41 0.00 -0.26 0.00 0.00 58.87 54.89 3g0b n SER 275 Cb 0.62 -0.57 -0.02 0.00 -0.26 0.00 0.00 64.21 63.98 3g0b n SER 275 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3g0b s LEU 276 N -3.00 4.36 0.04 1.04 1.02 -1.25 -5.01 118.68 115.88 3g0b s LEU 276 Ca 0.42 2.83 0.06 0.00 0.02 0.00 0.00 54.13 57.46 3g0b s LEU 276 Cb 0.36 -3.63 -0.03 0.00 0.02 0.00 0.00 46.19 42.90 3g0b s LEU 276 CO 0.05 -0.82 -0.13 -0.55 0.02 0.00 0.00 176.35 174.92 3g0b s SER 277 N 0.40 4.17 0.00 2.29 0.15 -1.26 -5.00 113.70 114.45 3g0b s SER 277 Ca 0.61 -0.32 0.27 0.00 0.70 0.00 0.00 55.95 57.21 3g0b s SER 277 Cb -0.45 -0.81 0.89 0.00 -1.71 0.00 0.00 66.02 63.94 3g0b s SER 277 CO 0.47 0.25 1.67 -1.54 1.20 0.00 0.00 173.24 175.29 3g0b n SER 278 N 1.44 0.34 -0.13 5.45 3.41 -1.26 -4.08 113.62 118.79 3g0b n SER 278 Ca -0.15 -0.06 -0.25 0.00 -0.26 0.00 0.00 58.87 58.15 3g0b n SER 278 Cb 0.52 -0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 64.29 3g0b n SER 278 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3g0b n VAL 279 N -1.38 1.52 -4.06 -3.33 0.31 -1.26 -5.00 118.33 105.12 3g0b n VAL 279 Ca 0.08 -0.45 -0.23 0.00 -0.01 0.00 0.00 64.34 63.72 3g0b n VAL 279 Cb 0.33 -1.70 -0.04 0.00 -0.91 0.00 0.00 33.84 31.52 3g0b n VAL 279 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3g0b s THR 280 N -2.51 4.70 0.51 2.52 -4.23 -1.26 -5.10 115.64 110.27 3g0b s THR 280 Ca -0.36 -1.19 -0.21 0.00 -1.18 0.00 0.00 61.69 58.75 3g0b s THR 280 Cb 0.12 -3.51 -0.07 0.00 1.34 0.00 0.00 72.50 70.39 3g0b s THR 280 CO 0.55 -0.27 1.12 0.20 -0.54 0.00 0.00 174.62 175.68 3g0b s ASN 281 N -3.67 5.94 0.30 3.99 0.01 -1.26 -4.31 114.94 115.94 3g0b s ASN 281 Ca 0.33 2.17 -0.30 0.00 -0.71 0.00 0.00 52.86 54.36 3g0b s ASN 281 Cb -0.09 -2.58 -0.11 0.00 0.41 0.00 0.00 41.25 38.88 3g0b s ASN 281 CO 0.26 -1.07 1.53 0.00 -1.51 0.00 0.00 177.10 176.30 3g0b s ALA 282 N -1.74 3.67 -0.29 0.60 0.00 -1.26 -4.87 121.76 117.87 3g0b s ALA 282 Ca 0.69 1.51 -0.16 0.00 0.00 0.00 0.00 51.96 54.01 3g0b s ALA 282 Cb -0.24 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.24 3g0b s ALA 282 CO 0.28 -0.93 0.40 -0.08 0.00 0.00 0.00 175.76 175.43 3g0b s THR 283 N -0.29 5.14 -0.26 0.00 -1.32 -1.26 -5.01 115.64 112.65 3g0b s THR 283 Ca 0.60 0.47 -0.08 0.00 -1.21 0.00 0.00 61.69 61.47 3g0b s THR 283 Cb -0.46 -3.76 -0.03 0.00 -1.51 0.00 0.00 72.50 66.74 3g0b s THR 283 CO 0.50 0.06 0.09 -0.44 -2.21 0.00 0.00 174.62 172.62 3g0b s SER 284 N 1.67 5.25 -0.23 8.08 0.01 -1.26 -4.44 113.70 122.78 3g0b s SER 284 Ca 0.15 -0.20 -0.23 0.00 1.31 0.00 0.00 55.95 56.98 3g0b s SER 284 Cb -0.16 -1.95 -0.01 0.00 0.21 0.00 0.00 66.02 64.11 3g0b s SER 284 CO 0.11 -0.05 0.76 -0.63 0.41 0.00 0.00 173.24 173.84 3g0b s ILE 285 N 1.63 4.90 0.13 1.44 -1.09 0.24 -4.84 121.20 123.61 3g0b s ILE 285 Ca 0.06 1.43 -0.30 0.00 -2.23 0.00 0.00 60.65 59.61 3g0b s ILE 285 Cb -0.15 -4.06 -0.06 0.00 -1.58 0.00 0.00 42.46 36.61 3g0b s ILE 285 CO 0.05 -0.01 1.02 -1.58 -1.23 0.00 0.00 174.94 173.18 3g0b s GLN 286 N 2.54 4.65 -0.30 2.79 0.74 -1.26 0.04 119.66 128.85 3g0b s GLN 286 Ca 0.33 1.55 -0.08 0.00 0.05 0.00 0.00 55.36 57.21 3g0b s GLN 286 Cb -0.16 -3.35 0.00 0.00 1.10 0.00 0.00 33.01 30.61 3g0b s GLN 286 CO 0.09 0.14 0.11 0.42 -0.55 0.00 0.00 175.29 175.49 3g0b s ILE 287 N 0.00 4.21 0.28 -2.34 1.01 0.57 -4.85 121.20 120.08 3g0b s ILE 287 Ca 0.48 -0.59 -0.22 0.00 0.00 0.00 0.00 60.65 60.33 3g0b s ILE 287 Cb -0.26 -3.16 -0.09 0.00 0.01 0.00 0.00 42.46 38.96 3g0b s ILE 287 CO 0.31 0.07 0.82 0.42 0.00 0.00 0.00 174.94 176.56 3g0b s THR 288 N 1.54 4.44 0.77 2.92 -4.23 -1.26 -3.98 115.64 115.84 3g0b s THR 288 Ca 0.03 1.46 -0.15 0.00 -1.18 0.00 0.00 61.69 61.86 3g0b s THR 288 Cb -0.17 -3.88 0.04 0.00 1.34 0.00 0.00 72.50 69.84 3g0b s THR 288 CO 0.04 0.12 1.09 0.00 -0.54 0.00 0.00 174.62 175.33 3g0b n ALA 289 N 0.49 -0.10 -0.73 3.99 0.00 -1.26 -4.94 120.51 117.97 3g0b n ALA 289 Ca 0.00 -0.26 -0.31 0.00 0.00 0.00 0.00 53.44 52.87 3g0b n ALA 289 Cb 0.51 -2.19 0.16 0.00 0.00 0.00 0.00 19.45 17.93 3g0b n ALA 289 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3g0b n PRO 290 N -2.57 -0.39 0.04 0.00 -0.02 -1.26 -4.69 135.00 126.11 3g0b n PRO 290 Ca 0.13 -0.04 0.08 0.00 -2.02 0.00 0.00 63.50 61.65 3g0b n PRO 290 Cb 0.50 -2.37 0.52 0.00 -0.02 0.00 0.00 33.50 32.12 3g0b n PRO 290 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g0b h ALA 291 N -1.78 1.92 0.00 3.55 0.00 -1.99 0.06 119.26 121.02 3g0b h ALA 291 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3g0b h ALA 291 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3g0b h ALA 291 CO 0.41 0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.56 3g0b n SER 292 N -4.48 0.52 -0.10 0.00 3.41 -1.26 -2.83 113.62 108.88 3g0b n SER 292 Ca 0.04 0.63 -0.11 0.00 -0.26 0.00 0.00 58.87 59.16 3g0b n SER 292 Cb 0.19 -0.74 -0.13 0.00 -0.26 0.00 0.00 64.21 63.28 3g0b n SER 292 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3g0b n MET 293 N -2.07 0.90 0.22 4.33 2.00 -0.11 -4.48 117.12 117.91 3g0b n MET 293 Ca 0.03 0.04 0.15 0.00 0.00 0.00 0.00 57.70 57.92 3g0b n MET 293 Cb 0.22 -1.46 0.59 0.00 0.00 0.00 0.00 33.22 32.57 3g0b n MET 293 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3g0b h LEU 294 N 0.00 0.00 -2.30 4.03 3.38 -1.07 -3.02 115.31 116.33 3g0b h LEU 294 Ca -0.49 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.52 3g0b h LEU 294 Cb 1.99 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.74 3g0b h LEU 294 CO -0.01 0.00 0.18 -0.29 0.09 0.00 0.00 178.44 178.41 3g0b h ILE 295 N 0.00 0.38 -1.86 1.22 6.09 -1.75 -3.46 117.51 118.13 3g0b h ILE 295 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3g0b h ILE 295 Cb 0.50 0.85 0.00 0.00 0.47 0.00 0.00 36.82 38.64 3g0b h ILE 295 CO 0.00 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.69 3g0b n GLY 296 N -1.35 2.17 3.73 8.18 0.00 -1.14 -5.14 105.19 111.64 3g0b n GLY 296 Ca 0.01 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 3g0b n GLY 296 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g0b n ASP 297 N -0.89 3.15 -3.61 1.61 9.92 -1.26 -4.94 116.55 120.53 3g0b n ASP 297 Ca 0.00 1.21 -0.09 0.00 -0.53 0.00 0.00 54.79 55.38 3g0b n ASP 297 Cb 0.00 -1.54 -0.02 0.00 -0.64 0.00 0.00 41.12 38.92 3g0b n ASP 297 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 3g0b s HIS 298 N -1.11 0.21 0.06 1.24 -3.43 -1.26 -1.23 115.29 109.77 3g0b s HIS 298 Ca 0.55 -0.66 0.04 0.00 -0.80 0.00 0.00 55.06 54.19 3g0b s HIS 298 Cb -0.53 0.48 -0.03 0.00 -1.43 0.00 0.00 32.58 31.07 3g0b s HIS 298 CO 0.62 -1.23 -0.12 0.71 -2.00 0.00 0.00 174.74 172.73 3g0b s TYR 299 N -3.47 1.02 -0.19 0.38 2.02 0.19 -4.81 117.35 112.50 3g0b s TYR 299 Ca 0.18 -0.48 -0.22 0.00 -0.37 0.00 0.00 57.07 56.18 3g0b s TYR 299 Cb -0.03 -0.58 -0.02 0.00 -0.40 0.00 0.00 41.96 40.92 3g0b s TYR 299 CO 0.10 0.01 0.68 -1.17 -1.57 0.00 0.00 175.55 173.60 3g0b s LEU 300 N -1.70 4.15 0.00 -1.29 2.96 -1.26 -0.21 118.68 121.33 3g0b s LEU 300 Ca -0.05 0.93 0.03 0.00 -0.22 0.00 0.00 54.13 54.82 3g0b s LEU 300 Cb -0.10 -2.98 -0.03 0.00 0.50 0.00 0.00 46.19 43.58 3g0b s LEU 300 CO 0.02 -0.30 0.14 0.00 -1.32 0.00 0.00 176.35 174.88 3g0b s ASP 302 N -1.23 -0.73 -0.08 0.00 -1.08 -1.10 -4.89 116.67 107.58 3g0b s ASP 302 Ca 0.01 1.35 0.00 0.00 -0.52 0.00 0.00 52.55 53.40 3g0b s ASP 302 Cb 0.02 1.36 0.02 0.00 -1.46 0.00 0.00 42.92 42.86 3g0b s ASP 302 CO 0.11 -0.28 -0.06 -0.69 0.52 0.00 0.00 175.17 174.77 3g0b s VAL 303 N 0.23 0.81 -0.14 1.11 1.01 -1.26 -1.13 120.40 121.03 3g0b s VAL 303 Ca -0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 3g0b s VAL 303 Cb -0.04 -0.83 0.07 0.00 0.00 0.00 0.00 36.38 35.57 3g0b s VAL 303 CO 0.02 0.31 0.25 -0.89 0.00 0.00 0.00 175.10 174.78 3g0b s THR 304 N 1.32 -0.39 0.23 3.92 2.01 -0.20 -5.02 115.64 117.52 3g0b s THR 304 Ca -0.03 0.21 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 3g0b s THR 304 Cb -0.14 -0.48 -0.09 0.00 0.01 0.00 0.00 72.50 71.81 3g0b s THR 304 CO -0.03 0.06 1.22 0.26 -0.69 0.00 0.00 174.62 175.44 3g0b s TRP 305 N 2.39 3.35 -0.25 4.92 0.52 -1.26 0.57 118.94 129.18 3g0b s TRP 305 Ca 0.03 1.43 -0.09 0.00 0.02 0.00 0.00 56.10 57.49 3g0b s TRP 305 Cb -0.13 -3.49 -0.16 0.00 -1.15 0.00 0.00 33.47 28.55 3g0b s TRP 305 CO -0.09 -1.35 -0.18 0.00 0.02 0.00 0.00 176.95 175.35 3g0b n ALA 306 N 1.96 1.21 -3.00 0.98 0.00 0.14 -4.87 120.51 116.92 3g0b n ALA 306 Ca 0.03 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.48 3g0b n ALA 306 Cb 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.79 3g0b n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3g0b n THR 307 N -3.86 0.00 0.24 0.00 -2.24 -1.02 -4.59 114.28 102.80 3g0b n THR 307 Ca -0.47 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.42 3g0b n THR 307 Cb 0.91 0.00 0.55 0.00 -2.10 0.00 0.00 70.33 69.70 3g0b n THR 307 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3g0b h GLN 308 N 0.00 0.00 0.00 -0.78 1.08 -1.97 -3.33 115.11 110.11 3g0b h GLN 308 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 3g0b h GLN 308 Cb 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.39 3g0b h GLN 308 CO 0.00 0.19 -0.52 0.39 -0.95 0.00 0.00 178.83 177.94 3g0b n GLU 309 N -3.46 0.12 -3.78 1.46 1.02 -1.26 -4.86 120.64 109.88 3g0b n GLU 309 Ca -0.01 -1.27 -0.22 0.00 -0.02 0.00 0.00 57.16 55.64 3g0b n GLU 309 Cb 0.37 -0.54 -0.18 0.00 -0.02 0.00 0.00 31.44 31.07 3g0b n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3g0b s ARG 310 N -0.27 0.54 -0.04 3.49 3.52 -1.25 -0.77 118.95 124.17 3g0b s ARG 310 Ca 0.07 0.13 0.06 0.00 -0.13 0.00 0.00 55.73 55.86 3g0b s ARG 310 Cb 0.07 -0.91 -0.02 0.00 -1.56 0.00 0.00 34.95 32.53 3g0b s ARG 310 CO -0.02 -0.30 -0.21 -1.50 -0.81 0.00 0.00 175.30 172.46 3g0b s ILE 311 N 1.94 2.43 -0.12 4.11 2.07 0.26 0.25 121.20 132.14 3g0b s ILE 311 Ca 0.04 -0.96 -0.03 0.00 -1.41 0.00 0.00 60.65 58.29 3g0b s ILE 311 Cb -0.12 -1.90 -0.03 0.00 0.13 0.00 0.00 42.46 40.54 3g0b s ILE 311 CO -0.05 0.58 0.02 -0.94 -1.91 0.00 0.00 174.94 172.64 3g0b s SER 312 N -0.56 5.32 -0.06 4.50 1.04 0.19 -0.63 113.70 123.50 3g0b s SER 312 Ca 0.08 0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.66 3g0b s SER 312 Cb -0.11 -1.65 -0.00 0.00 0.10 0.00 0.00 66.02 64.36 3g0b s SER 312 CO 0.00 0.31 -0.19 -0.76 0.98 0.00 0.00 173.24 173.58 3g0b s LEU 313 N -0.47 1.93 -0.10 2.42 1.02 -0.03 -1.03 118.68 122.42 3g0b s LEU 313 Ca 0.09 -0.42 -0.00 0.00 0.02 0.00 0.00 54.13 53.82 3g0b s LEU 313 Cb -0.12 -1.12 -0.03 0.00 0.02 0.00 0.00 46.19 44.95 3g0b s LEU 313 CO 0.02 0.14 -0.08 -1.10 0.02 0.00 0.00 176.35 175.36 3g0b s GLN 314 N 0.22 3.06 -0.02 1.70 -0.21 -0.28 0.12 119.66 124.24 3g0b s GLN 314 Ca -0.10 -0.57 0.07 0.00 0.02 0.00 0.00 55.36 54.78 3g0b s GLN 314 Cb -0.14 -2.66 -0.02 0.00 1.00 0.00 0.00 33.01 31.19 3g0b s GLN 314 CO 0.04 0.49 -0.24 -1.58 -2.12 0.00 0.00 175.29 171.89 3g0b s TRP 315 N -0.34 2.13 -0.09 0.91 0.52 -0.07 -0.32 118.94 121.68 3g0b s TRP 315 Ca 0.05 -0.40 0.03 0.00 0.02 0.00 0.00 56.10 55.80 3g0b s TRP 315 Cb -0.12 -1.37 -0.01 0.00 -1.15 0.00 0.00 33.47 30.82 3g0b s TRP 315 CO 0.02 -0.03 -0.20 -1.17 0.02 0.00 0.00 176.95 175.59 3g0b s LEU 316 N -0.57 2.32 0.68 2.99 0.20 0.71 -1.43 118.68 123.57 3g0b s LEU 316 Ca 0.09 -0.45 -0.16 0.00 0.69 0.00 0.00 54.13 54.30 3g0b s LEU 316 Cb -0.09 -1.47 0.01 0.00 -0.43 0.00 0.00 46.19 44.21 3g0b s LEU 316 CO -0.01 0.20 1.19 -0.13 -0.29 0.00 0.00 176.35 177.31 3g0b s ARG 317 N 0.14 2.51 0.28 1.98 0.52 -0.74 0.56 118.95 124.19 3g0b s ARG 317 Ca -0.11 1.71 0.01 0.00 -0.52 0.00 0.00 55.73 56.82 3g0b s ARG 317 Cb -0.16 -1.88 0.54 0.00 0.52 0.00 0.00 34.95 33.97 3g0b s ARG 317 CO 0.06 -1.54 1.85 -0.09 0.02 0.00 0.00 175.30 175.60 3g0b h ARG 318 N 0.11 0.99 -6.30 3.54 2.43 -1.48 -3.17 114.38 110.51 3g0b h ARG 318 Ca -0.48 -0.06 -0.56 0.00 -0.81 0.00 0.00 59.98 58.06 3g0b h ARG 318 Cb 1.29 -0.22 -0.09 0.00 -0.42 0.00 0.00 29.97 30.52 3g0b h ARG 318 CO 0.52 0.65 0.90 0.42 -1.51 0.00 0.00 179.97 180.95 3g0b s ILE 319 N -5.96 4.01 -0.11 1.20 1.01 -1.26 -4.76 121.20 115.33 3g0b s ILE 319 Ca -0.12 0.54 -0.00 0.00 0.00 0.00 0.00 60.65 61.07 3g0b s ILE 319 Cb 0.22 -4.75 0.08 0.00 0.01 0.00 0.00 42.46 38.02 3g0b s ILE 319 CO 0.81 -1.47 1.93 0.00 0.00 0.00 0.00 174.94 176.21 3g0b n GLN 320 N 8.50 1.29 -0.33 2.79 6.02 -1.20 -3.78 117.38 130.67 3g0b n GLN 320 Ca 0.05 -0.58 0.07 0.00 -0.01 0.00 0.00 57.00 56.53 3g0b n GLN 320 Cb 0.48 -1.23 0.23 0.00 1.02 0.00 0.00 30.24 30.74 3g0b n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3g0b n ASN 321 N 1.00 3.55 -3.64 1.08 0.23 -1.26 -0.81 115.26 115.40 3g0b n ASN 321 Ca 0.11 -2.33 -0.13 0.00 -0.53 0.00 0.00 54.58 51.70 3g0b n ASN 321 Cb 0.54 -0.39 -0.12 0.00 -2.08 0.00 0.00 39.78 37.74 3g0b n ASN 321 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3g0b s TYR 322 N -1.60 -0.50 0.07 -2.53 5.04 -1.25 -1.81 117.35 114.78 3g0b s TYR 322 Ca 0.34 1.04 0.01 0.00 -2.44 0.00 0.00 57.07 56.02 3g0b s TYR 322 Cb 0.22 0.02 -0.04 0.00 0.35 0.00 0.00 41.96 42.51 3g0b s TYR 322 CO 0.17 -0.40 -0.05 -1.54 -1.34 0.00 0.00 175.55 172.38 3g0b s SER 323 N 2.46 0.85 -0.03 4.32 1.04 -0.07 -1.80 113.70 120.47 3g0b s SER 323 Ca 0.01 -0.93 0.02 0.00 0.48 0.00 0.00 55.95 55.53 3g0b s SER 323 Cb -0.12 0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.13 3g0b s SER 323 CO -0.10 -0.48 -0.06 -0.69 0.98 0.00 0.00 173.24 172.90 3g0b s VAL 324 N -3.39 0.58 -0.19 5.02 1.01 -0.52 -0.47 120.40 122.44 3g0b s VAL 324 Ca 0.07 -0.21 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 3g0b s VAL 324 Cb 0.04 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 3g0b s VAL 324 CO -0.06 0.21 0.23 -0.32 0.00 0.00 0.00 175.10 175.16 3g0b s MET 325 N 0.47 4.20 -0.10 2.72 1.75 0.15 -0.89 119.30 127.59 3g0b s MET 325 Ca -0.06 -0.05 -0.11 0.00 -1.25 0.00 0.00 55.69 54.22 3g0b s MET 325 Cb -0.10 -3.46 -0.05 0.00 2.84 0.00 0.00 34.83 34.07 3g0b s MET 325 CO 0.00 0.19 0.24 -0.51 -0.65 0.00 0.00 175.02 174.30 3g0b s ASP 326 N 0.61 6.51 -0.34 1.11 -0.00 0.33 -1.75 116.67 123.14 3g0b s ASP 326 Ca 0.13 0.60 -0.03 0.00 -0.00 0.00 0.00 52.55 53.25 3g0b s ASP 326 Cb -0.13 -2.14 0.07 0.00 -0.00 0.00 0.00 42.92 40.72 3g0b s ASP 326 CO 0.03 0.32 0.07 -0.63 -0.00 0.00 0.00 175.17 174.95 3g0b s ILE 327 N -0.69 3.16 -0.16 0.77 1.01 -1.26 -0.85 121.20 123.17 3g0b s ILE 327 Ca 0.17 -1.56 -0.03 0.00 0.00 0.00 0.00 60.65 59.24 3g0b s ILE 327 Cb -0.13 -2.92 -0.02 0.00 0.01 0.00 0.00 42.46 39.39 3g0b s ILE 327 CO 0.06 -0.29 -0.06 0.00 0.00 0.00 0.00 174.94 174.65 3g0b s ASP 329 N 0.57 4.78 0.10 0.00 1.11 0.38 -0.58 116.67 123.04 3g0b s ASP 329 Ca -0.04 -0.03 -0.30 0.00 0.18 0.00 0.00 52.55 52.35 3g0b s ASP 329 Cb -0.15 -1.20 -0.06 0.00 1.07 0.00 0.00 42.92 42.58 3g0b s ASP 329 CO 0.03 0.33 1.18 -0.47 1.18 0.00 0.00 175.17 177.42 3g0b s TYR 330 N -0.91 3.46 -0.23 4.23 5.04 0.05 -0.37 117.35 128.63 3g0b s TYR 330 Ca 0.15 1.37 -0.06 0.00 -2.44 0.00 0.00 57.07 56.09 3g0b s TYR 330 Cb -0.11 -3.40 -0.02 0.00 0.35 0.00 0.00 41.96 38.78 3g0b s TYR 330 CO 0.04 -1.16 0.02 0.34 -1.34 0.00 0.00 175.55 173.46 3g0b s ASP 331 N 0.69 4.83 0.12 4.32 2.15 0.46 -4.96 116.67 124.28 3g0b s ASP 331 Ca 0.56 -0.25 -0.14 0.00 0.43 0.00 0.00 52.55 53.15 3g0b s ASP 331 Cb -0.30 -1.85 -0.03 0.00 -0.30 0.00 0.00 42.92 40.45 3g0b s ASP 331 CO 0.32 -0.00 1.54 -0.33 -0.17 0.00 0.00 175.17 176.53 3g0b h GLU 332 N 7.97 0.73 0.00 4.34 5.08 -1.96 0.42 114.58 131.17 3g0b h GLU 332 Ca -0.38 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 57.65 3g0b h GLU 332 Cb 1.17 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3g0b h GLU 332 CO 0.59 0.86 -0.29 0.66 -1.00 0.00 0.00 179.01 179.83 3g0b h SER 333 N 0.55 0.00 0.00 1.42 4.64 -1.97 -3.28 113.55 114.91 3g0b h SER 333 Ca 0.10 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.36 3g0b h SER 333 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 3g0b h SER 333 CO 0.03 0.29 -0.40 0.28 -0.87 0.00 0.00 176.83 176.16 3g0b h SER 334 N 0.00 0.00 0.00 4.97 0.02 -1.96 -3.48 113.55 113.10 3g0b h SER 334 Ca -0.00 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 3g0b h SER 334 Cb 0.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 3g0b h SER 334 CO 0.04 1.06 0.00 0.61 -1.14 0.00 0.00 176.83 177.40 3g0b n GLY 335 N 1.58 0.57 3.66 -3.77 0.00 0.15 -5.05 105.19 102.32 3g0b n GLY 335 Ca -0.15 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 3g0b n GLY 335 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g0b s ARG 336 N -0.38 2.09 -0.20 1.61 0.52 -1.19 -4.92 118.95 116.48 3g0b s ARG 336 Ca 0.00 -1.85 -0.04 0.00 -0.52 0.00 0.00 55.73 53.32 3g0b s ARG 336 Cb 0.00 -1.88 -0.02 0.00 0.52 0.00 0.00 34.95 33.57 3g0b s ARG 336 CO 0.00 0.03 -0.03 -1.58 0.02 0.00 0.00 175.30 173.74 3g0b s TRP 337 N -2.58 2.98 -0.19 -0.53 0.52 -1.26 -0.40 118.94 117.48 3g0b s TRP 337 Ca 0.37 -0.67 -0.03 0.00 0.02 0.00 0.00 56.10 55.78 3g0b s TRP 337 Cb 0.03 -2.07 -0.02 0.00 -1.15 0.00 0.00 33.47 30.26 3g0b s TRP 337 CO 0.20 -0.36 -0.05 -0.80 0.02 0.00 0.00 176.95 175.95 3g0b s ASN 338 N 1.14 4.44 -0.57 2.95 0.02 0.50 -4.87 114.94 118.55 3g0b s ASN 338 Ca 0.02 -0.29 -0.03 0.00 -1.02 0.00 0.00 52.86 51.54 3g0b s ASN 338 Cb -0.15 -1.74 0.15 0.00 0.02 0.00 0.00 41.25 39.53 3g0b s ASN 338 CO 0.00 0.07 0.38 0.00 0.02 0.00 0.00 177.10 177.57 3g0b n LEU 340 N 3.79 3.34 0.26 0.00 4.32 -1.25 -4.88 117.00 122.58 3g0b n LEU 340 Ca 0.05 1.03 0.08 0.00 -0.02 0.00 0.00 56.01 57.14 3g0b n LEU 340 Cb 0.39 -1.41 0.64 0.00 -1.62 0.00 0.00 43.42 41.41 3g0b n LEU 340 CO 0.34 -0.14 1.06 0.58 -1.22 0.00 0.00 177.39 178.01 3g0b h VAL 341 N 4.52 1.00 0.00 4.08 2.07 -1.97 0.97 116.25 126.92 3g0b h VAL 341 Ca -0.47 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3g0b h VAL 341 Cb 1.26 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 3g0b h VAL 341 CO 0.92 0.01 0.00 0.00 0.02 0.00 0.00 177.57 178.52 3g0b n ALA 342 N -2.54 2.30 0.56 1.67 0.00 -1.26 -2.61 120.51 118.63 3g0b n ALA 342 Ca -0.03 -0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.36 3g0b n ALA 342 Cb 0.10 -1.40 0.08 0.00 0.00 0.00 0.00 19.45 18.23 3g0b n ALA 342 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3g0b n ARG 343 N -1.19 1.29 -2.29 0.00 1.74 0.33 -4.72 116.66 111.83 3g0b n ARG 343 Ca 0.14 -1.50 -0.42 0.00 -0.77 0.00 0.00 57.85 55.30 3g0b n ARG 343 Cb 0.15 -1.30 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 3g0b n ARG 343 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3g0b s GLN 344 N -1.26 4.36 -0.24 5.56 -0.21 -1.07 -4.32 119.66 122.48 3g0b s GLN 344 Ca 0.19 1.93 -0.06 0.00 0.02 0.00 0.00 55.36 57.44 3g0b s GLN 344 Cb 0.13 -3.33 -0.02 0.00 1.00 0.00 0.00 33.01 30.80 3g0b s GLN 344 CO 0.20 -0.37 0.02 -1.01 -2.12 0.00 0.00 175.29 172.00 3g0b s HIS 345 N 1.23 3.03 0.01 0.91 3.76 -0.72 -4.94 115.29 118.56 3g0b s HIS 345 Ca 0.62 -0.67 -0.23 0.00 -0.15 0.00 0.00 55.06 54.62 3g0b s HIS 345 Cb -0.33 -2.18 -0.05 0.00 1.11 0.00 0.00 32.58 31.13 3g0b s HIS 345 CO 0.29 -0.45 0.69 0.42 -0.85 0.00 0.00 174.74 174.84 3g0b s ILE 346 N 1.55 4.86 -0.17 0.60 1.01 -1.26 0.30 121.20 128.09 3g0b s ILE 346 Ca 0.06 1.46 0.01 0.00 0.00 0.00 0.00 60.65 62.17 3g0b s ILE 346 Cb -0.15 -4.04 0.03 0.00 0.01 0.00 0.00 42.46 38.32 3g0b s ILE 346 CO 0.00 0.36 -0.13 -0.70 0.00 0.00 0.00 174.94 174.47 3g0b s GLU 347 N 0.07 2.25 0.26 2.79 2.12 0.38 -4.98 118.70 121.59 3g0b s GLU 347 Ca 0.36 -0.67 0.01 0.00 0.36 0.00 0.00 54.97 55.03 3g0b s GLU 347 Cb -0.19 -2.23 -0.05 0.00 0.26 0.00 0.00 34.13 31.92 3g0b s GLU 347 CO 0.20 -0.30 0.10 0.00 -0.54 0.00 0.00 175.26 174.72 3g0b s MET 348 N 1.45 1.42 -0.04 4.30 0.23 -1.26 -0.89 119.30 124.51 3g0b s MET 348 Ca 0.03 -1.77 -0.02 0.00 -1.03 0.00 0.00 55.69 52.90 3g0b s MET 348 Cb -0.14 -0.24 0.02 0.00 -1.53 0.00 0.00 34.83 32.94 3g0b s MET 348 CO -0.10 -0.31 0.08 0.45 -2.03 0.00 0.00 175.02 173.11 3g0b s SER 349 N -3.31 -0.04 0.08 -1.18 0.15 -0.75 -4.99 113.70 103.65 3g0b s SER 349 Ca 0.38 0.16 0.23 0.00 0.70 0.00 0.00 55.95 57.41 3g0b s SER 349 Cb 0.08 0.09 -0.06 0.00 -1.71 0.00 0.00 66.02 64.42 3g0b s SER 349 CO 0.14 -0.09 0.90 0.35 1.20 0.00 0.00 173.24 175.74 3g0b n THR 350 N 3.74 0.26 0.59 6.45 -2.24 -1.26 -4.36 114.28 117.46 3g0b n THR 350 Ca -0.21 -0.39 0.06 0.00 -2.27 0.00 0.00 64.05 61.24 3g0b n THR 350 Cb 0.54 0.01 -0.08 0.00 -2.10 0.00 0.00 70.33 68.70 3g0b n THR 350 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3g0b n THR 351 N -2.24 0.00 -0.59 4.28 -2.24 -1.26 -5.07 114.28 107.16 3g0b n THR 351 Ca 0.00 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3g0b n THR 351 Cb 0.50 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 3g0b n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g0b n GLY 352 N 1.35 2.76 4.01 3.38 0.00 -1.26 -4.80 105.19 110.62 3g0b n GLY 352 Ca 0.02 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 3g0b n GLY 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3g0b s TRP 353 N -0.28 1.69 -0.17 1.61 -2.14 -1.26 -4.45 118.94 113.94 3g0b s TRP 353 Ca 0.00 -0.42 -0.10 0.00 2.66 0.00 0.00 56.10 58.25 3g0b s TRP 353 Cb 0.00 -2.67 -0.05 0.00 -3.10 0.00 0.00 33.47 27.65 3g0b s TRP 353 CO 0.00 -1.38 0.16 0.08 -2.66 0.00 0.00 176.95 173.15 3g0b s VAL 354 N -2.90 5.42 0.00 -0.66 1.01 0.01 -4.74 120.40 118.53 3g0b s VAL 354 Ca 0.63 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.87 3g0b s VAL 354 Cb -0.06 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.84 3g0b s VAL 354 CO 0.41 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.62 3g0b n GLY 355 N 3.00 -1.39 0.30 4.51 0.00 -1.26 -3.36 105.19 107.00 3g0b n GLY 355 Ca -0.17 -1.54 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 3g0b n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3g0b h ARG 356 N 0.00 -0.69 0.00 1.61 3.08 -1.95 -3.40 114.38 113.03 3g0b h ARG 356 Ca 0.00 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3g0b h ARG 356 Cb 0.00 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3g0b h ARG 356 CO 0.00 -0.43 -0.31 1.19 -1.07 0.00 0.00 179.97 179.35 3g0b n PHE 357 N -5.25 0.00 -3.56 3.04 3.72 -1.26 -4.88 117.46 109.26 3g0b n PHE 357 Ca -0.09 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.24 3g0b n PHE 357 Cb 0.29 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.80 3g0b n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3g0b s ARG 358 N -1.33 0.53 0.19 -1.08 1.70 -1.24 -5.01 118.95 112.71 3g0b s ARG 358 Ca 0.00 -0.10 -0.33 0.00 -0.47 0.00 0.00 55.73 54.84 3g0b s ARG 358 Cb 0.00 0.24 -0.14 0.00 -0.57 0.00 0.00 34.95 34.49 3g0b s ARG 358 CO 0.03 -0.21 1.38 -2.30 -1.08 0.00 0.00 175.30 173.11 3g0b n PRO 359 N 0.13 1.77 -0.97 3.89 -0.02 -1.21 -4.24 135.00 134.34 3g0b n PRO 359 Ca -0.05 0.63 -0.32 0.00 -2.02 0.00 0.00 63.50 61.73 3g0b n PRO 359 Cb 0.59 -2.27 0.14 0.00 -0.02 0.00 0.00 33.50 31.94 3g0b n PRO 359 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3g0b s SER 360 N 0.36 3.37 0.16 2.55 0.15 -1.26 -4.91 113.70 114.12 3g0b s SER 360 Ca 0.73 2.29 -0.27 0.00 0.70 0.00 0.00 55.95 59.40 3g0b s SER 360 Cb -0.73 -2.58 -0.08 0.00 -1.71 0.00 0.00 66.02 60.92 3g0b s SER 360 CO 0.48 -2.81 0.83 -1.83 1.20 0.00 0.00 173.24 171.10 3g0b s GLU 361 N -4.34 4.63 0.47 5.44 1.03 -1.26 -4.92 118.70 119.76 3g0b s GLU 361 Ca 0.71 1.25 -0.20 0.00 0.03 0.00 0.00 54.97 56.76 3g0b s GLU 361 Cb -0.26 -3.30 -0.09 0.00 -0.80 0.00 0.00 34.13 29.68 3g0b s GLU 361 CO 0.53 0.47 0.99 -1.25 -1.33 0.00 0.00 175.26 174.68 3g0b s PRO 362 N -0.85 3.97 -0.30 -4.83 0.04 -1.26 -4.65 135.00 127.12 3g0b s PRO 362 Ca 0.39 1.19 0.03 0.00 0.04 0.00 0.00 61.00 62.65 3g0b s PRO 362 Cb -0.23 -2.13 0.08 0.00 0.04 0.00 0.00 34.50 32.26 3g0b s PRO 362 CO 0.27 -0.26 -0.00 -1.01 0.04 0.00 0.00 177.00 176.04 3g0b s HIS 363 N -2.18 3.26 0.40 0.56 3.76 0.16 -4.94 115.29 116.31 3g0b s HIS 363 Ca 0.64 -2.54 -0.20 0.00 -0.15 0.00 0.00 55.06 52.80 3g0b s HIS 363 Cb -0.12 -2.37 -0.10 0.00 1.11 0.00 0.00 32.58 31.09 3g0b s HIS 363 CO 0.20 -0.90 0.91 -0.06 -0.85 0.00 0.00 174.74 174.03 3g0b s PHE 364 N 1.09 3.37 0.95 1.40 0.40 -1.26 -0.88 117.98 123.05 3g0b s PHE 364 Ca 0.03 1.56 -0.12 0.00 -0.60 0.00 0.00 56.93 57.80 3g0b s PHE 364 Cb -0.19 -2.80 0.16 0.00 0.51 0.00 0.00 43.02 40.70 3g0b s PHE 364 CO -0.09 -0.03 1.09 0.95 0.70 0.00 0.00 175.22 177.85 3g0b s THR 365 N -2.07 2.32 0.18 0.64 -4.23 0.05 -4.89 115.64 107.64 3g0b s THR 365 Ca 0.59 0.10 -0.14 0.00 -1.18 0.00 0.00 61.69 61.07 3g0b s THR 365 Cb -0.10 -2.60 0.08 0.00 1.34 0.00 0.00 72.50 71.22 3g0b s THR 365 CO 0.15 -0.14 1.73 0.25 -0.54 0.00 0.00 174.62 176.08 3g0b h LEU 366 N -1.74 0.08 -1.41 4.79 5.85 -1.90 0.06 115.31 121.03 3g0b h LEU 366 Ca -0.52 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3g0b h LEU 366 Cb 1.31 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.42 3g0b h LEU 366 CO 0.56 0.08 0.00 -2.24 -0.34 0.00 0.00 178.44 176.50 3g0b h ASP 367 N 0.28 0.00 -0.18 1.25 -0.00 -1.93 -3.46 116.42 112.37 3g0b h ASP 367 Ca 0.22 0.00 -0.08 0.00 -0.00 0.00 0.00 57.03 57.18 3g0b h ASP 367 Cb 0.26 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 39.56 3g0b h ASP 367 CO -0.26 0.00 -0.07 0.61 -0.00 0.00 0.00 179.24 179.51 3g0b n GLY 368 N -0.07 0.68 0.00 7.15 0.00 0.01 -4.90 105.19 108.05 3g0b n GLY 368 Ca 0.01 -0.85 0.11 0.00 0.00 0.00 0.00 46.02 45.29 3g0b n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3g0b n ASN 369 N 1.29 0.65 -3.97 1.61 3.02 -1.26 -4.89 115.26 111.71 3g0b n ASN 369 Ca -0.04 -0.44 -0.08 0.00 -0.03 0.00 0.00 54.58 53.99 3g0b n ASN 369 Cb 0.13 0.51 -0.09 0.00 -0.61 0.00 0.00 39.78 39.72 3g0b n ASN 369 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3g0b s SER 370 N -3.12 0.29 0.10 6.41 0.01 -1.26 -0.50 113.70 115.62 3g0b s SER 370 Ca 0.09 -0.80 -0.12 0.00 1.31 0.00 0.00 55.95 56.43 3g0b s SER 370 Cb 0.17 0.27 0.01 0.00 0.21 0.00 0.00 66.02 66.68 3g0b s SER 370 CO 0.76 -0.65 0.28 0.72 0.41 0.00 0.00 173.24 174.75 3g0b s PHE 371 N -3.79 -0.01 -0.11 2.43 -0.12 -0.58 -0.77 117.98 115.03 3g0b s PHE 371 Ca 0.05 -0.36 0.01 0.00 -0.05 0.00 0.00 56.93 56.58 3g0b s PHE 371 Cb 0.06 0.08 -0.01 0.00 -0.63 0.00 0.00 43.02 42.52 3g0b s PHE 371 CO -0.10 -0.61 -0.16 0.71 -0.05 0.00 0.00 175.22 175.01 3g0b s TYR 372 N -3.77 2.73 0.03 3.49 2.02 -0.06 -0.49 117.35 121.30 3g0b s TYR 372 Ca 0.04 -0.71 -0.06 0.00 -0.37 0.00 0.00 57.07 55.97 3g0b s TYR 372 Cb 0.03 -1.79 -0.01 0.00 -0.40 0.00 0.00 41.96 39.80 3g0b s TYR 372 CO -0.11 -0.23 0.11 -1.59 -1.57 0.00 0.00 175.55 172.15 3g0b s LYS 373 N 0.25 0.58 -0.04 -0.62 -2.85 -0.46 -0.66 119.74 115.93 3g0b s LYS 373 Ca -0.11 -0.70 -0.30 0.00 -1.00 0.00 0.00 55.97 53.86 3g0b s LYS 373 Cb -0.16 0.23 -0.04 0.00 -2.06 0.00 0.00 37.83 35.80 3g0b s LYS 373 CO 0.06 -0.15 1.32 0.42 0.10 0.00 0.00 175.35 177.10 3g0b s ILE 374 N -2.46 3.99 0.05 3.79 1.01 -1.26 -0.48 121.20 125.84 3g0b s ILE 374 Ca -0.06 1.32 -0.02 0.00 0.00 0.00 0.00 60.65 61.89 3g0b s ILE 374 Cb -0.02 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 3g0b s ILE 374 CO -0.04 -0.02 0.01 0.27 0.00 0.00 0.00 174.94 175.16 3g0b s ILE 375 N 2.54 0.19 0.11 2.92 -4.36 -0.53 -4.45 121.20 117.62 3g0b s ILE 375 Ca 0.60 -1.59 -0.30 0.00 -0.26 0.00 0.00 60.65 59.10 3g0b s ILE 375 Cb -0.28 -1.33 -0.06 0.00 1.25 0.00 0.00 42.46 42.05 3g0b s ILE 375 CO 0.23 -0.88 0.95 -0.94 0.24 0.00 0.00 174.94 174.54 3g0b s SER 376 N -2.71 7.49 0.99 4.36 1.04 -1.26 -0.90 113.70 122.71 3g0b s SER 376 Ca 0.04 1.78 0.00 0.00 0.48 0.00 0.00 55.95 58.25 3g0b s SER 376 Cb 0.05 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.59 3g0b s SER 376 CO -0.09 -0.05 0.00 -0.46 0.98 0.00 0.00 173.24 173.62 3g0b n ASN 377 N 2.73 -0.45 0.23 7.02 0.23 0.14 -4.83 115.26 120.33 3g0b n ASN 377 Ca 0.02 -0.77 0.11 0.00 -0.53 0.00 0.00 54.58 53.40 3g0b n ASN 377 Cb 0.49 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.74 3g0b n ASN 377 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3g0b h GLU 378 N 0.00 0.00 -0.00 -3.83 9.09 -1.96 -1.62 114.58 116.25 3g0b h GLU 378 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3g0b h GLU 378 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3g0b h GLU 378 CO 0.00 0.20 -0.02 -0.85 0.05 0.00 0.00 179.01 178.39 3g0b n GLU 379 N -3.49 0.96 -0.79 1.06 0.28 -1.26 -4.92 120.64 112.48 3g0b n GLU 379 Ca -0.01 -0.21 0.00 0.00 -0.16 0.00 0.00 57.16 56.78 3g0b n GLU 379 Cb 0.36 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.74 3g0b n GLU 379 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3g0b n GLY 380 N 1.13 0.59 3.82 -1.84 0.00 -0.61 -4.76 105.19 103.52 3g0b n GLY 380 Ca 0.20 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 3g0b n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g0b s TYR 381 N -2.00 3.57 -0.24 1.61 1.51 -1.26 -0.12 117.35 120.42 3g0b s TYR 381 Ca 0.00 0.62 -0.29 0.00 -1.01 0.00 0.00 57.07 56.39 3g0b s TYR 381 Cb 0.00 -2.13 0.01 0.00 -0.11 0.00 0.00 41.96 39.73 3g0b s TYR 381 CO 0.00 0.55 1.08 1.03 -1.11 0.00 0.00 175.55 177.10 3g0b s ARG 382 N -0.53 4.22 0.14 -0.62 0.52 -1.26 0.24 118.95 121.66 3g0b s ARG 382 Ca 0.16 1.35 -0.04 0.00 -0.52 0.00 0.00 55.73 56.68 3g0b s ARG 382 Cb -0.13 -3.68 -0.03 0.00 0.52 0.00 0.00 34.95 31.63 3g0b s ARG 382 CO 0.05 -0.70 0.14 -1.01 0.02 0.00 0.00 175.30 173.80 3g0b s HIS 383 N 3.34 0.65 -0.14 -0.53 3.76 -0.08 -0.68 115.29 121.61 3g0b s HIS 383 Ca 0.46 -1.03 -0.29 0.00 -0.15 0.00 0.00 55.06 54.04 3g0b s HIS 383 Cb -0.15 -0.31 -0.01 0.00 1.11 0.00 0.00 32.58 33.22 3g0b s HIS 383 CO 0.09 -0.58 1.09 0.42 -0.85 0.00 0.00 174.74 174.91 3g0b s ILE 384 N -4.00 4.57 -0.05 0.60 1.01 -1.26 -1.46 121.20 120.61 3g0b s ILE 384 Ca 0.20 1.87 0.02 0.00 0.00 0.00 0.00 60.65 62.74 3g0b s ILE 384 Cb 0.06 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 3g0b s ILE 384 CO -0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 174.94 174.79 3g0b s TYR 386 N -0.83 3.10 0.01 0.00 6.14 0.12 -1.36 117.35 124.52 3g0b s TYR 386 Ca 0.13 -0.35 0.05 0.00 0.64 0.00 0.00 57.07 57.55 3g0b s TYR 386 Cb -0.11 -2.19 -0.03 0.00 0.42 0.00 0.00 41.96 40.05 3g0b s TYR 386 CO 0.02 -0.26 -0.14 -0.06 0.64 0.00 0.00 175.55 175.75 3g0b s PHE 387 N 1.34 2.69 0.03 4.97 0.08 0.36 -1.46 117.98 126.00 3g0b s PHE 387 Ca 0.05 -0.17 -0.15 0.00 0.12 0.00 0.00 56.93 56.78 3g0b s PHE 387 Cb -0.15 -1.55 -0.06 0.00 -0.57 0.00 0.00 43.02 40.70 3g0b s PHE 387 CO 0.03 0.27 0.44 -1.14 -0.10 0.00 0.00 175.22 174.72 3g0b s GLN 388 N -1.25 3.93 0.36 0.44 -0.44 -1.26 -1.52 119.66 119.92 3g0b s GLN 388 Ca 0.15 0.42 0.09 0.00 -2.50 0.00 0.00 55.36 53.52 3g0b s GLN 388 Cb -0.11 -3.17 0.83 0.00 -1.64 0.00 0.00 33.01 28.93 3g0b s GLN 388 CO 0.05 0.65 1.87 0.82 0.50 0.00 0.00 175.29 179.18 3g0b h ILE 389 N 3.48 0.83 -0.02 -2.34 1.08 -1.14 -2.51 117.51 116.89 3g0b h ILE 389 Ca -0.51 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 63.73 3g0b h ILE 389 Cb 1.21 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 3g0b h ILE 389 CO 0.63 0.12 -0.04 0.47 -0.69 0.00 0.00 178.15 178.64 3g0b n ASP 390 N -4.56 2.12 -4.27 1.72 8.00 -1.26 -4.68 116.55 113.62 3g0b n ASP 390 Ca 0.17 -1.67 -0.21 0.00 0.71 0.00 0.00 54.79 53.79 3g0b n ASP 390 Cb 0.47 0.03 -0.12 0.00 -0.02 0.00 0.00 41.12 41.49 3g0b n ASP 390 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3g0b s LYS 391 N -2.05 1.08 -0.01 -1.24 -2.85 -0.95 -4.90 119.74 108.82 3g0b s LYS 391 Ca 0.32 -1.20 -0.20 0.00 -1.00 0.00 0.00 55.97 53.88 3g0b s LYS 391 Cb 0.20 -1.17 -0.27 0.00 -2.06 0.00 0.00 37.83 34.54 3g0b s LYS 391 CO 0.34 0.25 1.02 -0.22 0.10 0.00 0.00 175.35 176.84 3g0b h LYS 392 N 3.78 0.38 -6.61 1.78 1.63 -1.92 -3.41 116.57 112.20 3g0b h LYS 392 Ca -0.43 -0.50 -0.52 0.00 -0.85 0.00 0.00 60.65 58.35 3g0b h LYS 392 Cb 1.19 0.16 0.02 0.00 -0.60 0.00 0.00 32.23 33.00 3g0b h LYS 392 CO 0.45 1.18 0.59 -0.51 -3.45 0.00 0.00 179.45 177.71 3g0b s ASP 393 N -6.89 7.04 0.33 4.20 -0.00 -1.26 -5.02 116.67 115.07 3g0b s ASP 393 Ca -0.13 2.21 0.08 0.00 -0.00 0.00 0.00 52.55 54.71 3g0b s ASP 393 Cb 0.03 -2.60 -0.04 0.00 -0.00 0.00 0.00 42.92 40.31 3g0b s ASP 393 CO 0.83 -0.44 0.13 0.00 -0.00 0.00 0.00 175.17 175.69 3g0b s THR 395 N -2.40 3.84 0.07 0.00 -1.32 -0.53 -4.88 115.64 110.41 3g0b s THR 395 Ca 0.37 -0.39 -0.30 0.00 -1.21 0.00 0.00 61.69 60.15 3g0b s THR 395 Cb -0.03 -2.65 -0.06 0.00 -1.51 0.00 0.00 72.50 68.25 3g0b s THR 395 CO 0.22 0.52 1.18 -0.36 -2.21 0.00 0.00 174.62 173.98 3g0b s PHE 396 N 0.05 3.46 -0.07 9.09 0.08 -1.26 0.11 117.98 129.44 3g0b s PHE 396 Ca -0.00 1.34 0.17 0.00 0.12 0.00 0.00 56.93 58.56 3g0b s PHE 396 Cb -0.13 -3.40 -0.26 0.00 -0.57 0.00 0.00 43.02 38.66 3g0b s PHE 396 CO 0.03 -1.17 0.40 0.44 -0.10 0.00 0.00 175.22 174.82 3g0b n ILE 397 N 3.80 0.00 -4.36 0.64 -5.35 0.02 -4.92 119.36 109.19 3g0b n ILE 397 Ca 0.08 -0.38 -0.27 0.00 -0.27 0.00 0.00 62.75 61.92 3g0b n ILE 397 Cb 0.47 0.16 -0.11 0.00 -1.74 0.00 0.00 39.64 38.42 3g0b n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3g0b s THR 398 N -3.16 2.75 0.06 7.28 -4.23 -1.23 -4.87 115.64 112.25 3g0b s THR 398 Ca -0.06 -1.85 -0.15 0.00 -1.18 0.00 0.00 61.69 58.45 3g0b s THR 398 Cb 0.11 -2.34 0.03 0.00 1.34 0.00 0.00 72.50 71.64 3g0b s THR 398 CO 0.71 -0.11 0.36 -0.54 -0.54 0.00 0.00 174.62 174.50 3g0b s LYS 399 N -2.74 0.91 0.00 3.99 -0.14 -1.26 -4.57 119.74 115.93 3g0b s LYS 399 Ca 0.23 -0.53 0.00 0.00 -1.36 0.00 0.00 55.97 54.30 3g0b s LYS 399 Cb -0.08 0.40 0.00 0.00 -1.68 0.00 0.00 37.83 36.46 3g0b s LYS 399 CO 0.12 -0.31 0.00 0.41 -0.76 0.00 0.00 175.35 174.81 3g0b n GLY 400 N 0.33 2.71 2.69 -3.33 0.00 -1.26 -4.93 105.19 101.40 3g0b n GLY 400 Ca -0.18 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 3g0b n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g0b n THR 401 N -1.81 4.82 -3.76 2.61 -2.24 -1.26 -4.77 114.28 107.88 3g0b n THR 401 Ca 0.00 -4.46 -0.02 0.00 -2.27 0.00 0.00 64.05 57.30 3g0b n THR 401 Cb 0.00 -2.21 -0.00 0.00 -2.10 0.00 0.00 70.33 66.02 3g0b n THR 401 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3g0b s TRP 402 N -0.53 -0.06 0.05 4.78 1.48 -1.26 -5.03 118.94 118.36 3g0b s TRP 402 Ca 0.46 -0.22 0.05 0.00 -1.06 0.00 0.00 56.10 55.33 3g0b s TRP 402 Cb 0.14 0.63 -0.02 0.00 -1.16 0.00 0.00 33.47 33.05 3g0b s TRP 402 CO -0.04 -0.72 -0.15 -1.21 -4.06 0.00 0.00 176.95 170.77 3g0b s GLU 403 N -2.84 0.93 0.02 3.25 2.02 -1.26 -4.52 118.70 116.30 3g0b s GLU 403 Ca 0.15 -0.82 -0.30 0.00 0.02 0.00 0.00 54.97 54.02 3g0b s GLU 403 Cb -0.00 -0.95 -0.04 0.00 0.10 0.00 0.00 34.13 33.23 3g0b s GLU 403 CO 0.02 0.23 1.11 0.08 0.02 0.00 0.00 175.26 176.72 3g0b s VAL 404 N -0.95 4.40 -0.11 2.63 1.01 0.15 -2.69 120.40 124.83 3g0b s VAL 404 Ca 0.01 1.72 -0.12 0.00 0.00 0.00 0.00 61.98 63.59 3g0b s VAL 404 Cb -0.08 -4.10 -0.26 0.00 0.00 0.00 0.00 36.38 31.93 3g0b s VAL 404 CO 0.02 0.11 0.44 0.40 0.00 0.00 0.00 175.10 176.07 3g0b h ILE 405 N 4.70 0.81 -1.77 2.22 1.08 -1.19 -3.45 117.51 119.92 3g0b h ILE 405 Ca -0.40 -2.36 0.02 0.00 -0.39 0.00 0.00 64.86 61.72 3g0b h ILE 405 Cb 1.21 2.56 -0.23 0.00 -3.07 0.00 0.00 36.82 37.29 3g0b h ILE 405 CO 0.80 0.77 0.34 -0.83 -0.69 0.00 0.00 178.15 178.54 3g0b s GLY 406 N -5.26 -0.35 -0.01 5.37 0.00 -1.14 -5.01 107.32 100.92 3g0b s GLY 406 Ca -0.22 2.16 -0.29 0.00 0.00 0.00 0.00 44.72 46.37 3g0b s GLY 406 CO 0.76 1.52 0.94 -0.42 0.00 0.00 0.00 173.10 175.90 3g0b s ILE 407 N -0.21 4.89 -0.17 0.90 1.01 -1.26 -1.10 121.20 125.26 3g0b s ILE 407 Ca -0.01 1.98 0.04 0.00 0.00 0.00 0.00 60.65 62.66 3g0b s ILE 407 Cb -0.03 -4.28 -0.13 0.00 0.01 0.00 0.00 42.46 38.02 3g0b s ILE 407 CO -0.00 0.17 -0.12 -0.62 0.00 0.00 0.00 174.94 174.37 3g0b n GLU 408 N 3.89 0.69 -3.63 2.79 -0.58 0.10 -4.97 120.64 118.94 3g0b n GLU 408 Ca 0.05 0.08 -0.16 0.00 -0.42 0.00 0.00 57.16 56.72 3g0b n GLU 408 Cb 0.51 -1.36 -0.07 0.00 -0.57 0.00 0.00 31.44 29.95 3g0b n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3g0b s ALA 409 N -2.35 -1.44 -0.10 0.62 0.00 -1.06 -4.92 121.76 112.51 3g0b s ALA 409 Ca -0.21 1.19 0.01 0.00 0.00 0.00 0.00 51.96 52.96 3g0b s ALA 409 Cb 0.06 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.91 3g0b s ALA 409 CO 0.44 -0.32 -0.14 -0.48 0.00 0.00 0.00 175.76 175.27 3g0b s LEU 410 N -0.75 1.65 0.54 0.00 2.34 -1.26 -0.33 118.68 120.88 3g0b s LEU 410 Ca -0.08 -0.40 0.06 0.00 0.06 0.00 0.00 54.13 53.77 3g0b s LEU 410 Cb -0.03 -1.03 0.04 0.00 -0.56 0.00 0.00 46.19 44.62 3g0b s LEU 410 CO 0.06 0.00 0.48 0.42 -1.06 0.00 0.00 176.35 176.24 3g0b s THR 411 N 1.04 1.80 0.48 5.48 -4.23 0.12 -5.01 115.64 115.32 3g0b s THR 411 Ca -0.06 -1.39 0.29 0.00 -1.18 0.00 0.00 61.69 59.35 3g0b s THR 411 Cb -0.15 -2.19 0.32 0.00 1.34 0.00 0.00 72.50 71.82 3g0b s THR 411 CO -0.02 0.00 2.15 0.77 -0.54 0.00 0.00 174.62 176.98 3g0b h SER 412 N 0.66 0.00 0.00 3.99 4.64 -2.00 -3.29 113.55 117.55 3g0b h SER 412 Ca -0.36 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.87 3g0b h SER 412 Cb 1.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 3g0b h SER 412 CO 0.54 0.07 -1.45 0.47 -0.87 0.00 0.00 176.83 175.59 3g0b n ASP 413 N -3.70 3.24 -4.12 4.97 8.00 -1.26 -4.92 116.55 118.75 3g0b n ASP 413 Ca -0.02 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.33 3g0b n ASP 413 Cb 0.18 0.87 -0.11 0.00 -0.02 0.00 0.00 41.12 42.03 3g0b n ASP 413 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3g0b s TYR 414 N -2.27 0.95 -0.16 1.24 1.51 -1.24 -1.21 117.35 116.16 3g0b s TYR 414 Ca -0.03 -0.52 -0.01 0.00 -1.01 0.00 0.00 57.07 55.49 3g0b s TYR 414 Cb 0.03 -0.54 -0.01 0.00 -0.11 0.00 0.00 41.96 41.33 3g0b s TYR 414 CO 0.30 -0.02 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.45 3g0b s LEU 415 N -1.81 2.76 -0.20 -1.29 1.98 -0.55 -0.70 118.68 118.86 3g0b s LEU 415 Ca -0.04 -0.36 -0.07 0.00 -2.89 0.00 0.00 54.13 50.77 3g0b s LEU 415 Cb -0.09 -1.65 -0.04 0.00 0.66 0.00 0.00 46.19 45.08 3g0b s LEU 415 CO 0.01 0.10 0.07 -0.31 -1.89 0.00 0.00 176.35 174.32 3g0b s TYR 416 N 0.76 3.20 0.05 5.38 2.02 0.56 -0.37 117.35 128.95 3g0b s TYR 416 Ca -0.04 -0.05 -0.00 0.00 -0.37 0.00 0.00 57.07 56.60 3g0b s TYR 416 Cb -0.15 -2.12 -0.04 0.00 -0.40 0.00 0.00 41.96 39.25 3g0b s TYR 416 CO 0.01 0.01 -0.04 1.52 -1.57 0.00 0.00 175.55 175.49 3g0b s TYR 417 N 0.73 0.54 -0.09 2.71 -0.85 0.05 0.01 117.35 120.45 3g0b s TYR 417 Ca 0.03 -0.98 -0.03 0.00 -0.52 0.00 0.00 57.07 55.57 3g0b s TYR 417 Cb -0.13 -0.39 -0.03 0.00 0.38 0.00 0.00 41.96 41.79 3g0b s TYR 417 CO 0.02 -0.32 0.03 0.42 -1.52 0.00 0.00 175.55 174.17 3g0b s ILE 418 N -3.58 4.54 0.23 -3.49 1.01 -0.26 0.16 121.20 119.81 3g0b s ILE 418 Ca 0.05 -0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.43 3g0b s ILE 418 Cb 0.05 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.59 3g0b s ILE 418 CO -0.08 0.61 0.43 -0.94 0.00 0.00 0.00 174.94 174.95 3g0b s SER 419 N -0.90 -0.06 -0.46 3.58 1.04 -0.44 -0.61 113.70 115.84 3g0b s SER 419 Ca 0.13 -0.94 0.04 0.00 0.48 0.00 0.00 55.95 55.66 3g0b s SER 419 Cb -0.11 0.55 0.52 0.00 0.10 0.00 0.00 66.02 67.07 3g0b s SER 419 CO 0.03 -1.08 1.72 -0.46 0.98 0.00 0.00 173.24 174.43 3g0b n ASN 420 N -0.35 4.99 0.10 7.02 0.23 -1.09 -1.19 115.26 124.97 3g0b n ASN 420 Ca -0.02 -3.75 -0.02 0.00 -0.53 0.00 0.00 54.58 50.26 3g0b n ASN 420 Cb 0.62 -0.75 0.21 0.00 -2.08 0.00 0.00 39.78 37.78 3g0b n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3g0b h GLU 421 N 1.55 0.20 -6.22 -3.83 4.81 -1.85 -3.34 114.58 105.90 3g0b h GLU 421 Ca 0.48 -0.11 -0.55 0.00 -0.13 0.00 0.00 59.36 59.05 3g0b h GLU 421 Cb 1.63 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.02 3g0b h GLU 421 CO 1.04 0.63 1.31 -0.47 -0.73 0.00 0.00 179.01 180.79 3g0b s TYR 422 N -4.01 1.34 -1.50 0.92 6.14 -1.26 -1.84 117.35 117.14 3g0b s TYR 422 Ca -0.04 0.01 0.00 0.00 0.64 0.00 0.00 57.07 57.68 3g0b s TYR 422 Cb 0.13 -4.10 0.00 0.00 0.42 0.00 0.00 41.96 38.41 3g0b s TYR 422 CO 0.77 -4.74 0.00 1.63 0.64 0.00 0.00 175.55 173.85 3g0b n LYS 423 N 7.96 -1.01 -2.22 4.97 4.76 -1.26 -2.74 118.16 128.62 3g0b n LYS 423 Ca 0.23 1.00 -0.19 0.00 -2.87 0.00 0.00 58.31 56.47 3g0b n LYS 423 Cb 0.43 -5.10 -0.02 0.00 -1.84 0.00 0.00 35.03 28.49 3g0b n LYS 423 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3g0b n GLY 424 N -1.20 0.01 3.35 0.72 0.00 -0.77 -4.98 105.19 102.33 3g0b n GLY 424 Ca -0.14 -0.07 -0.45 0.00 0.00 0.00 0.00 46.02 45.37 3g0b n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3g0b s MET 425 N -4.72 2.95 0.22 1.61 -1.94 -1.11 -4.94 119.30 111.36 3g0b s MET 425 Ca 0.00 -1.47 0.19 0.00 -1.71 0.00 0.00 55.69 52.70 3g0b s MET 425 Cb 0.00 -4.15 0.89 0.00 2.01 0.00 0.00 34.83 33.58 3g0b s MET 425 CO 0.00 -1.11 1.57 -2.30 -0.01 0.00 0.00 175.02 173.16 3g0b n PRO 426 N 5.19 0.13 -0.25 2.03 -0.02 -1.26 -0.92 135.00 139.90 3g0b n PRO 426 Ca -0.13 0.51 0.10 0.00 -2.02 0.00 0.00 63.50 61.96 3g0b n PRO 426 Cb 0.42 -1.82 0.23 0.00 -0.02 0.00 0.00 33.50 32.31 3g0b n PRO 426 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g0b n GLY 427 N -0.76 2.19 3.96 -1.23 0.00 -1.26 -4.85 105.19 103.23 3g0b n GLY 427 Ca 0.00 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 3g0b n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g0b s GLY 428 N -1.12 1.28 -0.07 -0.02 0.00 -0.10 -1.95 107.32 105.35 3g0b s GLY 428 Ca 0.37 -1.21 -0.03 0.00 0.00 0.00 0.00 44.72 43.85 3g0b s GLY 428 CO 0.27 -1.23 0.13 0.50 0.00 0.00 0.00 173.10 172.76 3g0b s ARG 429 N -3.88 0.02 0.06 2.90 1.81 0.12 -4.08 118.95 115.90 3g0b s ARG 429 Ca 0.34 0.46 0.02 0.00 -1.72 0.00 0.00 55.73 54.83 3g0b s ARG 429 Cb -0.09 -0.29 -0.03 0.00 -0.45 0.00 0.00 34.95 34.08 3g0b s ARG 429 CO 0.29 -0.27 -0.08 -0.80 -0.68 0.00 0.00 175.30 173.76 3g0b s ASN 430 N 1.94 0.96 -0.14 0.23 -0.87 -0.33 -0.13 114.94 116.60 3g0b s ASN 430 Ca -0.00 -0.68 -0.16 0.00 -1.57 0.00 0.00 52.86 50.45 3g0b s ASN 430 Cb -0.12 0.05 -0.04 0.00 -0.02 0.00 0.00 41.25 41.12 3g0b s ASN 430 CO -0.05 -0.28 0.37 -0.22 -2.57 0.00 0.00 177.10 174.35 3g0b s LEU 431 N -2.01 4.27 0.14 0.60 2.96 -1.26 -1.33 118.68 122.04 3g0b s LEU 431 Ca -0.03 0.65 0.06 0.00 -0.22 0.00 0.00 54.13 54.59 3g0b s LEU 431 Cb -0.06 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 3g0b s LEU 431 CO -0.01 0.07 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.64 3g0b s TYR 432 N 0.45 1.47 -0.05 5.38 2.02 0.12 0.04 117.35 126.79 3g0b s TYR 432 Ca 0.21 -0.56 0.05 0.00 -0.37 0.00 0.00 57.07 56.39 3g0b s TYR 432 Cb -0.14 -0.76 -0.00 0.00 -0.40 0.00 0.00 41.96 40.66 3g0b s TYR 432 CO 0.07 0.18 -0.19 -1.59 -1.57 0.00 0.00 175.55 172.45 3g0b s LYS 433 N -2.83 2.04 -0.23 -0.62 -2.85 -0.32 -0.77 119.74 114.17 3g0b s LYS 433 Ca 0.11 -0.69 -0.06 0.00 -1.00 0.00 0.00 55.97 54.34 3g0b s LYS 433 Cb -0.04 -1.74 -0.02 0.00 -2.06 0.00 0.00 37.83 33.97 3g0b s LYS 433 CO 0.04 0.26 0.02 -1.50 0.10 0.00 0.00 175.35 174.27 3g0b s ILE 434 N 0.04 3.93 -0.23 3.79 2.07 0.50 -1.51 121.20 129.80 3g0b s ILE 434 Ca -0.05 -0.30 -0.29 0.00 -1.41 0.00 0.00 60.65 58.60 3g0b s ILE 434 Cb -0.13 -2.81 -0.03 0.00 0.13 0.00 0.00 42.46 39.62 3g0b s ILE 434 CO 0.03 0.39 1.77 -1.58 -1.91 0.00 0.00 174.94 173.63 3g0b s GLN 435 N 1.43 3.63 0.50 3.50 0.74 -0.80 -1.49 119.66 127.16 3g0b s GLN 435 Ca 0.05 1.73 0.14 0.00 0.05 0.00 0.00 55.36 57.34 3g0b s GLN 435 Cb -0.15 -4.13 1.18 0.00 1.10 0.00 0.00 33.01 31.02 3g0b s GLN 435 CO 0.01 -1.51 2.13 -0.07 -0.55 0.00 0.00 175.29 175.30 3g0b h LEU 436 N 12.52 0.10 0.00 3.68 4.07 -1.51 -0.67 115.31 133.51 3g0b h LEU 436 Ca -0.36 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.60 3g0b h LEU 436 Cb 1.17 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.89 3g0b h LEU 436 CO 1.00 0.07 0.00 -1.54 -1.08 0.00 0.00 178.44 176.89 3g0b n SER 437 N -4.52 0.00 -3.15 -0.43 3.41 -1.26 -4.67 113.62 103.00 3g0b n SER 437 Ca -0.01 -0.28 0.05 0.00 -0.26 0.00 0.00 58.87 58.37 3g0b n SER 437 Cb 0.10 -0.23 -0.00 0.00 -0.26 0.00 0.00 64.21 63.82 3g0b n SER 437 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3g0b s ASP 438 N -2.46 -0.83 0.47 4.04 3.68 -0.26 -5.07 116.67 116.25 3g0b s ASP 438 Ca 0.30 0.09 0.18 0.00 2.13 0.00 0.00 52.55 55.25 3g0b s ASP 438 Cb 0.19 1.51 1.14 0.00 -1.45 0.00 0.00 42.92 44.32 3g0b s ASP 438 CO 0.41 -0.15 2.02 1.88 0.13 0.00 0.00 175.17 179.47 3g0b h TYR 439 N 7.47 0.00 0.00 -5.34 0.05 -1.82 -1.95 116.97 115.38 3g0b h TYR 439 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.72 3g0b h TYR 439 Cb 1.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.92 3g0b h TYR 439 CO -0.00 0.16 0.00 2.41 -1.05 0.00 0.00 178.16 179.68 3g0b n THR 440 N -4.16 0.80 -2.88 -2.88 -1.04 -1.26 -4.23 114.28 98.63 3g0b n THR 440 Ca -0.02 0.18 -0.44 0.00 -2.04 0.00 0.00 64.05 61.73 3g0b n THR 440 Cb 0.23 -1.12 -0.01 0.00 -1.82 0.00 0.00 70.33 67.61 3g0b n THR 440 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3g0b s LYS 441 N -3.32 3.80 -0.15 -2.82 1.02 -0.73 -4.98 119.74 112.57 3g0b s LYS 441 Ca 0.05 -2.02 0.00 0.00 0.02 0.00 0.00 55.97 54.01 3g0b s LYS 441 Cb 0.09 -5.05 -0.01 0.00 -0.52 0.00 0.00 37.83 32.35 3g0b s LYS 441 CO 0.42 -1.84 -0.14 0.08 -0.92 0.00 0.00 175.35 172.95 3g0b s VAL 442 N 2.57 2.82 -0.18 3.17 1.01 -1.26 -1.91 120.40 126.61 3g0b s VAL 442 Ca 0.39 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 3g0b s VAL 442 Cb -0.03 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 3g0b s VAL 442 CO -0.05 0.52 -0.07 -0.89 0.00 0.00 0.00 175.10 174.61 3g0b s THR 443 N 0.64 3.36 -0.26 3.92 2.01 -0.57 -4.96 115.64 119.78 3g0b s THR 443 Ca -0.08 -0.52 -0.29 0.00 0.31 0.00 0.00 61.69 61.11 3g0b s THR 443 Cb -0.16 -2.48 0.01 0.00 0.01 0.00 0.00 72.50 69.88 3g0b s THR 443 CO 0.03 0.47 1.08 0.00 -0.69 0.00 0.00 174.62 175.50 3g0b h LEU 445 N 9.73 0.00 0.00 0.00 3.38 -0.74 -3.40 115.31 124.27 3g0b h LEU 445 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3g0b h LEU 445 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3g0b h LEU 445 CO 1.00 0.24 -0.97 -1.54 0.09 0.00 0.00 178.44 177.26 3g0b n SER 446 N -2.96 4.84 -0.29 -0.43 3.41 -1.20 -4.80 113.62 112.19 3g0b n SER 446 Ca -0.01 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.71 3g0b n SER 446 Cb 0.65 0.95 0.25 0.00 -0.26 0.00 0.00 64.21 65.80 3g0b n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g0b n GLU 448 N -5.30 2.65 0.05 0.00 4.71 -1.26 -4.25 120.64 117.24 3g0b n GLU 448 Ca 0.19 -2.23 -0.13 0.00 -0.01 0.00 0.00 57.16 54.99 3g0b n GLU 448 Cb 0.63 -1.39 -0.08 0.00 -1.01 0.00 0.00 31.44 29.59 3g0b n GLU 448 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 3g0b h LEU 449 N 3.03 -0.08 -5.57 -4.62 3.38 -1.79 -3.38 115.31 106.28 3g0b h LEU 449 Ca 0.00 -0.22 -0.34 0.00 0.09 0.00 0.00 57.88 57.42 3g0b h LEU 449 Cb 0.83 0.02 -0.25 0.00 0.09 0.00 0.00 40.66 41.35 3g0b h LEU 449 CO 0.00 0.17 -0.70 -3.20 0.09 0.00 0.00 178.44 174.81 3g0b n ASN 450 N -5.02 -2.21 0.21 -0.43 2.85 -1.26 -5.05 115.26 104.35 3g0b n ASN 450 Ca -0.08 -2.70 0.16 0.00 -0.11 0.00 0.00 54.58 51.84 3g0b n ASN 450 Cb 0.16 0.79 0.80 0.00 1.24 0.00 0.00 39.78 42.77 3g0b n ASN 450 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3g0b h PRO 451 N 5.23 0.00 0.18 1.20 0.13 -1.76 0.38 132.00 137.37 3g0b h PRO 451 Ca 0.14 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.94 3g0b h PRO 451 Cb 1.02 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.17 3g0b h PRO 451 CO 0.17 0.00 -1.63 1.49 -0.23 0.00 0.00 178.00 177.80 3g0b h GLU 452 N 0.00 0.39 0.00 0.86 4.81 -1.96 -3.37 114.58 115.31 3g0b h GLU 452 Ca 0.08 -0.67 -0.10 0.00 -0.13 0.00 0.00 59.36 58.54 3g0b h GLU 452 Cb 0.38 0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 3g0b h GLU 452 CO -0.00 1.30 -1.02 -0.09 -0.73 0.00 0.00 179.01 178.47 3g0b h ARG 453 N 0.11 0.00 -3.53 1.92 2.43 -1.76 -3.41 114.38 110.13 3g0b h ARG 453 Ca -0.30 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.35 3g0b h ARG 453 Cb 2.09 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 31.25 3g0b h ARG 453 CO 0.20 0.24 -0.76 0.00 -1.51 0.00 0.00 179.97 178.14 3g0b n GLN 455 N 5.02 0.10 -3.55 0.00 6.02 0.24 -4.49 117.38 120.72 3g0b n GLN 455 Ca -0.08 -0.46 -0.29 0.00 -0.01 0.00 0.00 57.00 56.15 3g0b n GLN 455 Cb 0.46 -0.52 -0.14 0.00 1.02 0.00 0.00 30.24 31.06 3g0b n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3g0b s TYR 456 N -0.03 0.65 -0.05 1.08 6.14 -0.86 0.11 117.35 124.38 3g0b s TYR 456 Ca 0.00 -1.25 0.01 0.00 0.64 0.00 0.00 57.07 56.47 3g0b s TYR 456 Cb 0.00 -1.03 -0.03 0.00 0.42 0.00 0.00 41.96 41.32 3g0b s TYR 456 CO 0.00 -0.83 -0.06 0.71 0.64 0.00 0.00 175.55 176.01 3g0b s TYR 457 N 1.68 2.96 0.41 4.97 2.02 0.82 -0.44 117.35 129.78 3g0b s TYR 457 Ca 0.12 0.03 0.04 0.00 -0.37 0.00 0.00 57.07 56.90 3g0b s TYR 457 Cb -0.18 -1.70 -0.05 0.00 -0.40 0.00 0.00 41.96 39.62 3g0b s TYR 457 CO -0.23 0.36 0.03 -1.54 -1.57 0.00 0.00 175.55 172.60 3g0b s SER 458 N -0.95 3.46 -0.05 2.29 1.04 0.01 -4.52 113.70 114.97 3g0b s SER 458 Ca 0.14 -1.48 -0.13 0.00 0.48 0.00 0.00 55.95 54.96 3g0b s SER 458 Cb -0.11 0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.04 3g0b s SER 458 CO 0.03 -0.64 0.31 0.54 0.98 0.00 0.00 173.24 174.46 3g0b s VAL 459 N -2.95 0.04 -0.24 5.02 0.11 -1.26 -0.93 120.40 120.19 3g0b s VAL 459 Ca 0.27 -0.34 -0.01 0.00 -2.93 0.00 0.00 61.98 58.97 3g0b s VAL 459 Cb 0.07 -0.56 0.07 0.00 -1.53 0.00 0.00 36.38 34.43 3g0b s VAL 459 CO 0.13 -0.19 0.03 -0.55 -3.33 0.00 0.00 175.10 171.19 3g0b s SER 460 N -0.87 3.58 0.33 3.54 0.15 0.01 -4.97 113.70 115.47 3g0b s SER 460 Ca -0.09 -1.21 -0.17 0.00 0.70 0.00 0.00 55.95 55.18 3g0b s SER 460 Cb -0.04 -0.89 -0.09 0.00 -1.71 0.00 0.00 66.02 63.28 3g0b s SER 460 CO 0.03 -0.32 0.78 -0.36 1.20 0.00 0.00 173.24 174.58 3g0b s PHE 461 N 1.61 3.41 1.08 3.44 0.40 -1.26 -0.46 117.98 126.21 3g0b s PHE 461 Ca 0.01 1.34 -0.14 0.00 -0.60 0.00 0.00 56.93 57.54 3g0b s PHE 461 Cb -0.18 -2.62 0.23 0.00 0.51 0.00 0.00 43.02 40.96 3g0b s PHE 461 CO -0.12 0.09 1.08 -1.54 0.70 0.00 0.00 175.22 175.43 3g0b s SER 462 N -2.14 1.89 0.29 1.36 1.04 0.54 -4.83 113.70 111.85 3g0b s SER 462 Ca 0.54 1.14 0.03 0.00 0.48 0.00 0.00 55.95 58.14 3g0b s SER 462 Cb -0.11 -1.78 0.75 0.00 0.10 0.00 0.00 66.02 64.98 3g0b s SER 462 CO 0.17 -3.58 1.64 0.50 0.98 0.00 0.00 173.24 172.95 3g0b h LYS 463 N -2.20 0.18 -0.15 4.02 3.64 -1.82 0.65 116.57 120.89 3g0b h LYS 463 Ca -0.55 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.80 3g0b h LYS 463 Cb 1.33 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 3g0b h LYS 463 CO 0.53 0.12 -0.03 -1.91 -2.27 0.00 0.00 179.45 175.89 3g0b n GLU 464 N -5.24 2.07 -1.74 1.90 4.07 -1.26 -4.97 120.64 115.46 3g0b n GLU 464 Ca 0.22 -2.79 -0.18 0.00 -0.06 0.00 0.00 57.16 54.35 3g0b n GLU 464 Cb 0.72 -1.69 -0.06 0.00 -0.06 0.00 0.00 31.44 30.35 3g0b n GLU 464 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3g0b n ALA 465 N -0.99 -0.34 -0.13 4.31 0.00 0.22 -4.91 120.51 118.67 3g0b n ALA 465 Ca 0.20 0.26 -0.07 0.00 0.00 0.00 0.00 53.44 53.83 3g0b n ALA 465 Cb 0.79 -1.89 0.09 0.00 0.00 0.00 0.00 19.45 18.44 3g0b n ALA 465 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3g0b h LYS 466 N 0.00 0.87 -5.77 0.00 3.64 -1.80 -3.41 116.57 110.10 3g0b h LYS 466 Ca -0.39 -0.29 -0.50 0.00 -1.27 0.00 0.00 60.65 58.20 3g0b h LYS 466 Cb 1.22 -0.07 -0.15 0.00 -0.41 0.00 0.00 32.23 32.83 3g0b h LYS 466 CO 0.54 0.92 -0.75 0.71 -2.27 0.00 0.00 179.45 178.60 3g0b s TYR 467 N -4.84 1.88 0.00 1.91 1.51 -1.26 -0.31 117.35 116.23 3g0b s TYR 467 Ca -0.10 -0.50 -0.00 0.00 -1.01 0.00 0.00 57.07 55.46 3g0b s TYR 467 Cb 0.14 -0.86 -0.00 0.00 -0.11 0.00 0.00 41.96 41.13 3g0b s TYR 467 CO 0.83 0.45 0.00 1.52 -1.11 0.00 0.00 175.55 177.25 3g0b s TYR 468 N -2.76 0.04 -0.20 2.71 1.13 -0.35 -0.34 117.35 117.56 3g0b s TYR 468 Ca 0.24 -0.07 -0.15 0.00 -1.41 0.00 0.00 57.07 55.68 3g0b s TYR 468 Cb -0.02 -0.03 -0.04 0.00 -1.10 0.00 0.00 41.96 40.77 3g0b s TYR 468 CO 0.09 -0.04 0.35 -1.14 -2.51 0.00 0.00 175.55 172.30 3g0b s GLN 469 N -0.25 4.17 -0.11 -3.49 0.74 0.40 -0.57 119.66 120.54 3g0b s GLN 469 Ca -0.03 0.11 -0.15 0.00 0.05 0.00 0.00 55.36 55.34 3g0b s GLN 469 Cb -0.02 -3.52 -0.05 0.00 1.10 0.00 0.00 33.01 30.52 3g0b s GLN 469 CO -0.00 0.01 0.37 -0.51 -0.55 0.00 0.00 175.29 174.61 3g0b s LEU 470 N 1.16 4.30 -0.28 3.68 1.43 0.41 -0.81 118.68 128.58 3g0b s LEU 470 Ca 0.17 0.70 -0.05 0.00 -1.03 0.00 0.00 54.13 53.91 3g0b s LEU 470 Cb -0.14 -2.51 0.01 0.00 0.03 0.00 0.00 46.19 43.58 3g0b s LEU 470 CO 0.07 0.12 0.04 -0.60 0.23 0.00 0.00 176.35 176.21 3g0b s ARG 471 N 0.17 3.03 -0.30 1.70 3.52 -0.11 -1.61 118.95 125.36 3g0b s ARG 471 Ca 0.21 -0.88 -0.12 0.00 -0.13 0.00 0.00 55.73 54.81 3g0b s ARG 471 Cb -0.14 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 29.94 3g0b s ARG 471 CO 0.08 -0.43 0.22 0.00 -0.81 0.00 0.00 175.30 174.36 3g0b n SER 473 N 5.10 1.98 0.00 0.00 7.64 0.42 -1.52 113.62 127.24 3g0b n SER 473 Ca -0.13 -1.52 0.00 0.00 1.01 0.00 0.00 58.87 58.23 3g0b n SER 473 Cb 0.51 0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 3g0b n SER 473 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g0b n GLY 474 N 1.33 -0.25 0.21 0.23 0.00 -1.26 -0.44 105.19 105.00 3g0b n GLY 474 Ca 0.13 -1.33 0.14 0.00 0.00 0.00 0.00 46.02 44.97 3g0b n GLY 474 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g0b h PRO 475 N 0.00 0.00 0.00 1.61 0.13 -0.59 0.69 132.00 133.84 3g0b h PRO 475 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.80 3g0b h PRO 475 Cb 0.00 0.00 0.14 0.00 0.13 0.00 0.00 31.00 31.27 3g0b h PRO 475 CO 0.00 0.00 0.31 0.41 -0.23 0.00 0.00 178.00 178.49 3g0b n GLY 476 N 0.48 -1.48 3.59 1.56 0.00 0.14 -4.36 105.19 105.11 3g0b n GLY 476 Ca 0.02 -1.69 -0.48 0.00 0.00 0.00 0.00 46.02 43.88 3g0b n GLY 476 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g0b n LEU 477 N 0.00 1.73 -4.59 0.99 4.32 -1.26 -4.51 117.00 113.68 3g0b n LEU 477 Ca 0.13 1.15 -0.45 0.00 -0.02 0.00 0.00 56.01 56.81 3g0b n LEU 477 Cb 0.44 -1.25 -0.02 0.00 -1.62 0.00 0.00 43.42 40.98 3g0b n LEU 477 CO 0.32 -1.22 0.60 -2.65 -1.22 0.00 0.00 177.39 173.23 3g0b n PRO 478 N 1.69 1.33 -4.26 3.23 -0.02 -1.26 -4.76 135.00 130.95 3g0b n PRO 478 Ca 0.14 0.47 -0.24 0.00 -2.02 0.00 0.00 63.50 61.85 3g0b n PRO 478 Cb 0.26 -1.86 -0.17 0.00 -0.02 0.00 0.00 33.50 31.71 3g0b n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3g0b s LEU 479 N 0.50 1.40 -0.17 2.45 2.96 -0.57 -4.22 118.68 121.03 3g0b s LEU 479 Ca 0.61 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 54.24 3g0b s LEU 479 Cb -0.72 -0.75 -0.01 0.00 0.50 0.00 0.00 46.19 45.21 3g0b s LEU 479 CO 0.58 -0.04 -0.09 -0.31 -1.32 0.00 0.00 176.35 175.17 3g0b s TYR 480 N 1.10 2.89 0.03 5.38 2.02 -0.33 -0.92 117.35 127.52 3g0b s TYR 480 Ca -0.07 -0.74 0.02 0.00 -0.37 0.00 0.00 57.07 55.91 3g0b s TYR 480 Cb -0.14 -1.95 -0.02 0.00 -0.40 0.00 0.00 41.96 39.45 3g0b s TYR 480 CO -0.01 -0.33 -0.07 0.95 -1.57 0.00 0.00 175.55 174.52 3g0b s THR 481 N 0.77 0.49 -0.13 -0.71 -4.23 -0.63 -0.04 115.64 111.16 3g0b s THR 481 Ca -0.04 -0.96 -0.05 0.00 -1.18 0.00 0.00 61.69 59.46 3g0b s THR 481 Cb -0.15 -0.55 -0.04 0.00 1.34 0.00 0.00 72.50 73.10 3g0b s THR 481 CO 0.01 -0.33 0.04 -0.22 -0.54 0.00 0.00 174.62 173.59 3g0b s LEU 482 N -1.39 3.78 0.11 4.79 0.20 0.32 -0.44 118.68 126.04 3g0b s LEU 482 Ca -0.09 0.16 0.02 0.00 0.69 0.00 0.00 54.13 54.91 3g0b s LEU 482 Cb -0.09 -1.91 -0.04 0.00 -0.43 0.00 0.00 46.19 43.72 3g0b s LEU 482 CO 0.00 0.30 -0.07 -1.00 -0.29 0.00 0.00 176.35 175.30 3g0b s HIS 483 N -0.40 0.93 -0.14 5.38 3.76 0.26 -0.01 115.29 125.07 3g0b s HIS 483 Ca 0.09 -0.91 -0.02 0.00 -0.15 0.00 0.00 55.06 54.07 3g0b s HIS 483 Cb -0.12 -0.53 -0.02 0.00 1.11 0.00 0.00 32.58 33.02 3g0b s HIS 483 CO 0.02 -0.13 -0.08 -1.54 -0.85 0.00 0.00 174.74 172.16 3g0b s SER 484 N -3.06 4.45 0.34 1.40 1.04 -1.01 -1.22 113.70 115.63 3g0b s SER 484 Ca 0.13 -0.22 0.26 0.00 0.48 0.00 0.00 55.95 56.60 3g0b s SER 484 Cb 0.05 -1.71 0.85 0.00 0.10 0.00 0.00 66.02 65.32 3g0b s SER 484 CO -0.04 0.17 1.76 0.77 0.98 0.00 0.00 173.24 176.88 3g0b h SER 485 N 6.72 0.00 -0.46 7.02 4.64 -0.90 0.18 113.55 130.75 3g0b h SER 485 Ca -0.29 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.97 3g0b h SER 485 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 3g0b h SER 485 CO 0.60 0.00 0.08 1.62 -0.87 0.00 0.00 176.83 178.25 3g0b h VAL 486 N 0.00 1.23 0.00 0.95 3.04 -1.89 -3.30 116.25 116.28 3g0b h VAL 486 Ca 0.00 -0.90 0.00 0.00 -1.01 0.00 0.00 66.70 64.79 3g0b h VAL 486 Cb 0.66 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 3g0b h VAL 486 CO 0.00 0.33 0.00 -0.46 -1.01 0.00 0.00 177.57 176.43 3g0b n ASN 487 N -4.25 0.52 -1.34 3.17 6.94 -1.22 -5.02 115.26 114.06 3g0b n ASN 487 Ca 0.03 -0.87 -0.17 0.00 -0.02 0.00 0.00 54.58 53.55 3g0b n ASN 487 Cb 0.26 0.13 -0.07 0.00 -2.36 0.00 0.00 39.78 37.73 3g0b n ASN 487 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3g0b n ASP 488 N -0.13 -5.54 -4.83 0.53 9.92 0.64 -4.98 116.55 112.17 3g0b n ASP 488 Ca 0.00 0.43 -0.31 0.00 -0.53 0.00 0.00 54.79 54.38 3g0b n ASP 488 Cb 0.07 -4.60 0.04 0.00 -0.64 0.00 0.00 41.12 35.99 3g0b n ASP 488 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 3g0b s LYS 489 N -3.46 3.14 -0.14 -1.24 -2.85 -1.23 -4.82 119.74 109.13 3g0b s LYS 489 Ca 0.00 0.94 -0.27 0.00 -1.00 0.00 0.00 55.97 55.64 3g0b s LYS 489 Cb 0.00 -2.02 -0.01 0.00 -2.06 0.00 0.00 37.83 33.74 3g0b s LYS 489 CO 0.00 -0.94 0.90 0.20 0.10 0.00 0.00 175.35 175.61 3g0b s GLY 490 N -3.73 2.21 -0.05 0.59 0.00 -1.26 -2.42 107.32 102.67 3g0b s GLY 490 Ca 0.58 0.18 -0.14 0.00 0.00 0.00 0.00 44.72 45.34 3g0b s GLY 490 CO 0.52 1.76 0.58 1.41 0.00 0.00 0.00 173.10 177.38 3g0b h LEU 491 N 8.17 -0.37 -7.00 0.66 3.38 -0.76 -3.48 115.31 115.90 3g0b h LEU 491 Ca -0.30 -0.04 0.10 0.00 0.09 0.00 0.00 57.88 57.73 3g0b h LEU 491 Cb 1.14 0.09 -0.16 0.00 0.09 0.00 0.00 40.66 41.83 3g0b h LEU 491 CO 0.85 0.09 0.48 0.00 0.09 0.00 0.00 178.44 179.95 3g0b s ARG 492 N -3.11 0.82 0.01 1.13 1.70 -1.07 -5.00 118.95 113.42 3g0b s ARG 492 Ca -0.08 -0.27 -0.30 0.00 -0.47 0.00 0.00 55.73 54.61 3g0b s ARG 492 Cb 0.01 0.38 -0.05 0.00 -0.57 0.00 0.00 34.95 34.71 3g0b s ARG 492 CO 0.24 -0.35 1.37 0.08 -1.08 0.00 0.00 175.30 175.57 3g0b s VAL 493 N -2.98 3.74 -0.21 4.99 1.01 -1.26 -0.53 120.40 125.16 3g0b s VAL 493 Ca 0.04 1.14 -0.17 0.00 0.00 0.00 0.00 61.98 62.98 3g0b s VAL 493 Cb -0.01 -3.73 -0.19 0.00 0.00 0.00 0.00 36.38 32.45 3g0b s VAL 493 CO -0.08 0.01 0.12 0.18 0.00 0.00 0.00 175.10 175.33 3g0b n LEU 494 N 5.18 2.02 -3.66 3.92 4.77 0.95 -4.93 117.00 125.25 3g0b n LEU 494 Ca 0.13 0.36 -0.12 0.00 -0.03 0.00 0.00 56.01 56.34 3g0b n LEU 494 Cb 0.44 -0.96 -0.12 0.00 -2.33 0.00 0.00 43.42 40.44 3g0b n LEU 494 CO 0.58 0.43 -0.09 -0.70 -1.33 0.00 0.00 177.39 176.28 3g0b s GLU 495 N -2.42 0.19 0.00 3.23 2.56 -0.98 -5.00 118.70 116.28 3g0b s GLU 495 Ca -0.30 0.82 0.17 0.00 0.00 0.00 0.00 54.97 55.67 3g0b s GLU 495 Cb 0.08 0.06 0.01 0.00 2.00 0.00 0.00 34.13 36.28 3g0b s GLU 495 CO 0.60 -0.28 0.91 -0.40 -0.56 0.00 0.00 175.26 175.53 3g0b n ASP 496 N 5.35 1.76 -2.76 -1.70 3.85 -1.26 -1.18 116.55 120.62 3g0b n ASP 496 Ca -0.07 -1.38 -0.20 0.00 -0.71 0.00 0.00 54.79 52.43 3g0b n ASP 496 Cb 0.50 0.43 0.04 0.00 -1.35 0.00 0.00 41.12 40.74 3g0b n ASP 496 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3g0b n ASN 497 N -0.01 -5.59 0.09 -1.12 3.02 -1.26 -4.80 115.26 105.59 3g0b n ASN 497 Ca 0.07 -0.30 -0.03 0.00 -0.03 0.00 0.00 54.58 54.29 3g0b n ASN 497 Cb 0.37 -4.37 0.19 0.00 -0.61 0.00 0.00 39.78 35.36 3g0b n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3g0b h SER 498 N -1.48 0.26 -0.79 6.41 4.64 -1.94 -2.41 113.55 118.23 3g0b h SER 498 Ca -0.47 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 60.73 3g0b h SER 498 Cb 1.32 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.30 3g0b h SER 498 CO 0.49 0.70 0.49 0.00 -0.87 0.00 0.00 176.83 177.63 3g0b h ALA 499 N 1.31 1.01 -0.29 5.18 0.00 -1.99 -1.47 119.26 123.01 3g0b h ALA 499 Ca 0.01 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3g0b h ALA 499 Cb 0.91 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3g0b h ALA 499 CO 0.07 0.46 -0.26 1.25 0.00 0.00 0.00 179.25 180.78 3g0b h LEU 500 N 1.08 0.72 -0.73 0.00 5.85 -1.82 -3.08 115.31 117.33 3g0b h LEU 500 Ca 0.29 -0.46 0.12 0.00 0.84 0.00 0.00 57.88 58.66 3g0b h LEU 500 Cb -0.06 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 40.68 3g0b h LEU 500 CO -0.06 1.03 0.33 -0.78 -0.34 0.00 0.00 178.44 178.63 3g0b h ASP 501 N 0.42 0.37 -0.53 1.25 1.82 -1.09 0.13 116.42 118.79 3g0b h ASP 501 Ca 0.05 0.08 -0.07 0.00 -0.39 0.00 0.00 57.03 56.71 3g0b h ASP 501 Cb 0.82 0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.84 3g0b h ASP 501 CO 0.07 0.18 0.09 0.50 -1.61 0.00 0.00 179.24 178.47 3g0b h LYS 502 N 0.52 0.93 -0.14 0.28 3.64 -1.31 -2.23 116.57 118.27 3g0b h LYS 502 Ca 0.38 -0.22 -0.05 0.00 -1.27 0.00 0.00 60.65 59.49 3g0b h LYS 502 Cb 0.49 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3g0b h LYS 502 CO -0.33 0.86 -0.10 0.52 -2.27 0.00 0.00 179.45 178.12 3g0b h MET 503 N 0.88 0.31 0.00 1.90 2.86 -1.14 -3.18 114.93 116.56 3g0b h MET 503 Ca 0.18 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3g0b h MET 503 Cb 0.38 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 3g0b h MET 503 CO 0.01 0.68 0.00 1.28 1.06 0.00 0.00 176.91 179.94 3g0b n LEU 504 N -4.61 0.49 -0.24 1.22 4.32 0.33 -2.29 117.00 116.21 3g0b n LEU 504 Ca -0.06 0.64 0.11 0.00 -0.02 0.00 0.00 56.01 56.69 3g0b n LEU 504 Cb 0.33 -0.61 0.39 0.00 -1.62 0.00 0.00 43.42 41.91 3g0b n LEU 504 CO 0.38 -0.58 1.22 1.56 -1.22 0.00 0.00 177.39 178.75 3g0b h GLN 505 N 0.00 0.65 0.00 3.23 4.20 -1.38 -2.88 115.11 118.93 3g0b h GLN 505 Ca 0.00 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 3g0b h GLN 505 Cb 0.25 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3g0b h GLN 505 CO 0.00 0.43 -0.76 -0.97 -0.67 0.00 0.00 178.83 176.85 3g0b h ASN 506 N 0.67 0.00 -2.98 1.46 -0.00 -1.65 -3.47 115.58 109.61 3g0b h ASN 506 Ca 0.41 0.00 -0.62 0.00 -0.00 0.00 0.00 56.30 56.09 3g0b h ASN 506 Cb 0.66 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 38.90 3g0b h ASN 506 CO -0.17 0.22 -0.34 0.54 -0.00 0.00 0.00 177.43 177.67 3g0b s VAL 507 N -3.16 5.28 -0.77 2.57 0.11 -1.09 -1.10 120.40 122.24 3g0b s VAL 507 Ca 0.02 0.53 -0.25 0.00 -2.93 0.00 0.00 61.98 59.34 3g0b s VAL 507 Cb 0.08 -3.58 -0.05 0.00 -1.53 0.00 0.00 36.38 31.30 3g0b s VAL 507 CO 0.76 0.53 2.00 -1.10 -3.33 0.00 0.00 175.10 173.96 3g0b s GLN 508 N -0.58 2.44 0.09 1.54 -0.21 0.11 -4.95 119.66 118.10 3g0b s GLN 508 Ca 0.18 0.18 -0.15 0.00 0.02 0.00 0.00 55.36 55.60 3g0b s GLN 508 Cb -0.14 -4.79 -0.06 0.00 1.00 0.00 0.00 33.01 29.01 3g0b s GLN 508 CO 0.07 -3.29 0.49 -1.64 -2.12 0.00 0.00 175.29 168.80 3g0b s MET 509 N 7.31 3.97 0.68 2.91 -1.94 -1.26 -4.22 119.30 126.74 3g0b s MET 509 Ca 0.73 0.47 -0.13 0.00 -1.71 0.00 0.00 55.69 55.05 3g0b s MET 509 Cb -0.10 -3.07 0.00 0.00 2.01 0.00 0.00 34.83 33.68 3g0b s MET 509 CO 0.08 0.57 1.08 -1.25 -0.01 0.00 0.00 175.02 175.50 3g0b s PRO 510 N -1.58 2.86 0.51 2.03 0.04 -1.26 -4.31 135.00 133.29 3g0b s PRO 510 Ca 0.32 1.17 0.08 0.00 0.04 0.00 0.00 61.00 62.61 3g0b s PRO 510 Cb -0.16 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.45 3g0b s PRO 510 CO 0.18 -1.17 0.60 -1.54 0.04 0.00 0.00 177.00 175.11 3g0b s SER 511 N -3.15 5.13 -0.05 6.66 1.04 -0.64 -4.91 113.70 117.78 3g0b s SER 511 Ca 0.62 -0.81 0.03 0.00 0.48 0.00 0.00 55.95 56.28 3g0b s SER 511 Cb -0.17 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.92 3g0b s SER 511 CO 0.47 -1.05 -0.14 -0.75 0.98 0.00 0.00 173.24 172.74 3g0b s LYS 512 N -4.44 1.65 -0.18 4.02 2.20 -1.26 -0.51 119.74 121.23 3g0b s LYS 512 Ca 0.53 -0.50 -0.04 0.00 -0.36 0.00 0.00 55.97 55.60 3g0b s LYS 512 Cb -0.06 -1.41 -0.02 0.00 -1.51 0.00 0.00 37.83 34.83 3g0b s LYS 512 CO 0.33 0.15 -0.04 0.21 -0.36 0.00 0.00 175.35 175.63 3g0b s LYS 513 N 0.28 3.57 -0.20 4.03 2.20 0.14 -4.95 119.74 124.81 3g0b s LYS 513 Ca -0.08 -0.56 -0.02 0.00 -0.36 0.00 0.00 55.97 54.96 3g0b s LYS 513 Cb -0.13 -2.94 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 3g0b s LYS 513 CO 0.03 0.10 -0.10 -1.17 -0.36 0.00 0.00 175.35 173.85 3g0b s LEU 514 N 0.72 2.63 0.00 5.43 0.20 -1.26 0.03 118.68 126.42 3g0b s LEU 514 Ca -0.02 -0.47 -0.12 0.00 0.69 0.00 0.00 54.13 54.21 3g0b s LEU 514 Cb -0.14 -1.64 0.05 0.00 -0.43 0.00 0.00 46.19 44.02 3g0b s LEU 514 CO 0.02 -0.00 0.71 -0.67 -0.29 0.00 0.00 176.35 176.12 3g0b n ASP 515 N 4.67 -2.06 -4.29 3.68 4.64 -0.51 -5.01 116.55 117.66 3g0b n ASP 515 Ca -0.19 -2.60 -0.18 0.00 -1.38 0.00 0.00 54.79 50.44 3g0b n ASP 515 Cb 0.51 3.49 -0.11 0.00 -1.04 0.00 0.00 41.12 43.97 3g0b n ASP 515 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 3g0b s PHE 516 N -2.50 1.54 0.28 -0.67 -0.12 -1.26 0.02 117.98 115.26 3g0b s PHE 516 Ca 0.18 -0.58 0.11 0.00 -0.05 0.00 0.00 56.93 56.59 3g0b s PHE 516 Cb -0.04 -0.76 -0.05 0.00 -0.63 0.00 0.00 43.02 41.54 3g0b s PHE 516 CO 0.13 0.23 -0.11 0.96 -0.05 0.00 0.00 175.22 176.38 3g0b s ILE 517 N -2.55 2.88 -0.26 -4.49 -4.36 -0.05 -4.93 121.20 107.45 3g0b s ILE 517 Ca 0.15 -2.19 -0.10 0.00 -0.26 0.00 0.00 60.65 58.25 3g0b s ILE 517 Cb -0.03 -2.54 -0.05 0.00 1.25 0.00 0.00 42.46 41.09 3g0b s ILE 517 CO 0.04 -0.38 0.16 -0.63 0.24 0.00 0.00 174.94 174.37 3g0b s ILE 518 N -2.44 5.22 -0.22 8.37 -1.09 -1.26 -0.72 121.20 129.07 3g0b s ILE 518 Ca 0.31 0.13 0.02 0.00 -2.23 0.00 0.00 60.65 58.88 3g0b s ILE 518 Cb -0.05 -3.45 0.04 0.00 -1.58 0.00 0.00 42.46 37.42 3g0b s ILE 518 CO 0.17 0.31 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.31 3g0b s LEU 519 N 1.39 2.65 -1.29 2.97 1.02 0.08 -4.82 118.68 120.68 3g0b s LEU 519 Ca 0.07 -1.02 -0.02 0.00 0.02 0.00 0.00 54.13 53.18 3g0b s LEU 519 Cb -0.15 -1.39 0.01 0.00 0.02 0.00 0.00 46.19 44.68 3g0b s LEU 519 CO 0.07 -0.13 0.89 0.59 0.02 0.00 0.00 176.35 177.78 3g0b n ASN 520 N 4.58 -2.34 -1.28 2.29 4.13 -1.26 -2.04 115.26 119.35 3g0b n ASN 520 Ca -0.16 -0.71 -0.16 0.00 1.68 0.00 0.00 54.58 55.23 3g0b n ASN 520 Cb 0.46 -4.53 -0.06 0.00 -1.54 0.00 0.00 39.78 34.10 3g0b n ASN 520 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3g0b n GLU 521 N -4.33 -1.13 -4.91 3.52 1.02 -1.26 -4.99 120.64 108.56 3g0b n GLU 521 Ca -0.23 1.04 -0.27 0.00 -0.02 0.00 0.00 57.16 57.68 3g0b n GLU 521 Cb 0.65 -5.23 -0.16 0.00 -0.02 0.00 0.00 31.44 26.68 3g0b n GLU 521 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3g0b s THR 522 N -2.61 1.52 0.05 2.62 2.01 -0.86 -5.11 115.64 113.25 3g0b s THR 522 Ca 0.00 -0.78 -0.30 0.00 0.31 0.00 0.00 61.69 60.92 3g0b s THR 522 Cb 0.00 -1.30 -0.05 0.00 0.01 0.00 0.00 72.50 71.16 3g0b s THR 522 CO 0.00 0.43 1.22 -0.54 -0.69 0.00 0.00 174.62 175.04 3g0b s LYS 523 N -0.08 4.41 -0.08 4.92 1.02 -1.26 -0.74 119.74 127.92 3g0b s LYS 523 Ca -0.02 1.78 0.03 0.00 0.02 0.00 0.00 55.97 57.78 3g0b s LYS 523 Cb -0.11 -3.38 0.01 0.00 -0.52 0.00 0.00 37.83 33.83 3g0b s LYS 523 CO 0.02 -0.30 -0.16 -0.06 -0.92 0.00 0.00 175.35 173.93 3g0b s PHE 524 N 1.28 1.83 0.03 3.18 0.08 0.11 -4.95 117.98 119.54 3g0b s PHE 524 Ca 0.59 -0.73 -0.13 0.00 0.12 0.00 0.00 56.93 56.77 3g0b s PHE 524 Cb -0.29 -1.29 -0.06 0.00 -0.57 0.00 0.00 43.02 40.81 3g0b s PHE 524 CO 0.28 -0.35 0.41 -1.58 -0.10 0.00 0.00 175.22 173.89 3g0b s TRP 525 N 0.64 3.68 0.09 0.36 0.52 -1.25 -0.87 118.94 122.10 3g0b s TRP 525 Ca -0.14 0.93 0.02 0.00 0.02 0.00 0.00 56.10 56.93 3g0b s TRP 525 Cb -0.16 -2.25 -0.04 0.00 -1.15 0.00 0.00 33.47 29.87 3g0b s TRP 525 CO 0.04 0.59 -0.07 1.52 0.02 0.00 0.00 176.95 179.05 3g0b s TYR 526 N -1.21 0.87 0.07 -1.98 -0.85 0.10 -0.89 117.35 113.47 3g0b s TYR 526 Ca 0.28 -0.80 0.06 0.00 -0.52 0.00 0.00 57.07 56.08 3g0b s TYR 526 Cb -0.16 -0.50 -0.03 0.00 0.38 0.00 0.00 41.96 41.65 3g0b s TYR 526 CO 0.15 -0.12 -0.15 1.14 -1.52 0.00 0.00 175.55 175.05 3g0b s GLN 527 N -3.26 0.89 -0.07 -3.49 -2.07 -0.33 -1.43 119.66 109.90 3g0b s GLN 527 Ca 0.07 -0.97 0.03 0.00 -1.82 0.00 0.00 55.36 52.66 3g0b s GLN 527 Cb 0.01 -0.94 0.01 0.00 -1.09 0.00 0.00 33.01 31.00 3g0b s GLN 527 CO -0.03 0.21 -0.15 -1.64 -1.32 0.00 0.00 175.29 172.37 3g0b s MET 528 N -1.71 1.91 -0.50 9.60 -1.94 0.10 -1.13 119.30 125.64 3g0b s MET 528 Ca -0.00 -0.51 -0.22 0.00 -1.71 0.00 0.00 55.69 53.25 3g0b s MET 528 Cb -0.10 -1.56 0.04 0.00 2.01 0.00 0.00 34.83 35.23 3g0b s MET 528 CO 0.02 0.08 0.75 0.42 -0.01 0.00 0.00 175.02 176.28 3g0b s ILE 529 N 0.52 4.68 -0.12 2.53 -1.09 0.58 -0.69 121.20 127.61 3g0b s ILE 529 Ca -0.14 -0.01 -0.12 0.00 -2.23 0.00 0.00 60.65 58.15 3g0b s ILE 529 Cb -0.15 -4.36 -0.05 0.00 -1.58 0.00 0.00 42.46 36.32 3g0b s ILE 529 CO 0.04 -0.85 0.26 -0.76 -1.23 0.00 0.00 174.94 172.40 3g0b s LEU 530 N 3.17 4.32 0.66 2.97 1.43 0.34 -2.18 118.68 129.38 3g0b s LEU 530 Ca 0.23 0.56 -0.17 0.00 -1.03 0.00 0.00 54.13 53.72 3g0b s LEU 530 Cb -0.15 -2.31 -0.05 0.00 0.03 0.00 0.00 46.19 43.71 3g0b s LEU 530 CO 0.17 0.23 0.67 -2.65 0.23 0.00 0.00 176.35 174.99 3g0b n PRO 531 N 2.85 0.49 -1.64 1.29 -0.02 -1.26 -1.63 135.00 135.08 3g0b n PRO 531 Ca -0.15 0.21 -0.40 0.00 -2.02 0.00 0.00 63.50 61.14 3g0b n PRO 531 Cb 0.53 -1.91 0.03 0.00 -0.02 0.00 0.00 33.50 32.12 3g0b n PRO 531 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3g0b n PRO 532 N -0.76 1.38 -3.74 0.52 -0.02 -1.26 -3.01 135.00 128.11 3g0b n PRO 532 Ca 0.12 0.50 -0.22 0.00 -2.02 0.00 0.00 63.50 61.88 3g0b n PRO 532 Cb 0.49 -2.21 0.02 0.00 -0.02 0.00 0.00 33.50 31.78 3g0b n PRO 532 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3g0b n HIS 533 N -0.85 -1.86 -1.87 6.00 8.25 -1.26 -4.86 115.22 118.76 3g0b n HIS 533 Ca 0.10 0.82 -0.42 0.00 -0.26 0.00 0.00 57.72 57.96 3g0b n HIS 533 Cb 0.42 -4.29 -0.03 0.00 1.12 0.00 0.00 29.99 27.22 3g0b n HIS 533 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3g0b s PHE 534 N -3.72 2.04 -0.32 4.41 5.36 -1.16 -4.99 117.98 119.59 3g0b s PHE 534 Ca 0.00 0.09 -0.06 0.00 -0.96 0.00 0.00 56.93 56.00 3g0b s PHE 534 Cb -0.00 -4.03 0.04 0.00 -0.34 0.00 0.00 43.02 38.68 3g0b s PHE 534 CO 0.82 -4.32 0.08 0.34 -1.46 0.00 0.00 175.22 170.68 3g0b s ASP 535 N 3.10 5.19 0.24 6.13 -1.08 -1.26 -4.99 116.67 124.01 3g0b s ASP 535 Ca 0.77 -1.11 0.24 0.00 -0.52 0.00 0.00 52.55 51.94 3g0b s ASP 535 Cb -0.39 -1.84 0.94 0.00 -1.46 0.00 0.00 42.92 40.17 3g0b s ASP 535 CO 0.34 -0.29 1.72 2.29 0.52 0.00 0.00 175.17 179.74 3g0b n LYS 536 N 4.78 0.20 -0.00 4.34 2.85 -1.26 -1.36 118.16 127.71 3g0b n LYS 536 Ca -0.13 0.38 0.15 0.00 -1.05 0.00 0.00 58.31 57.66 3g0b n LYS 536 Cb 0.45 -1.85 0.84 0.00 -0.65 0.00 0.00 35.03 33.82 3g0b n LYS 536 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3g0b n SER 537 N -2.21 0.36 -4.71 -5.58 3.41 -1.26 -4.18 113.62 99.45 3g0b n SER 537 Ca 0.03 -1.13 -0.30 0.00 -0.26 0.00 0.00 58.87 57.21 3g0b n SER 537 Cb 0.26 -0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.14 3g0b n SER 537 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3g0b s LYS 538 N -2.00 2.64 -0.26 4.33 2.20 -0.46 -5.04 119.74 121.15 3g0b s LYS 538 Ca 0.45 -0.78 -0.11 0.00 -0.36 0.00 0.00 55.97 55.17 3g0b s LYS 538 Cb 0.22 -2.59 -0.05 0.00 -1.51 0.00 0.00 37.83 33.89 3g0b s LYS 538 CO 0.36 0.56 0.21 0.15 -0.36 0.00 0.00 175.35 176.26 3g0b s LYS 539 N -2.24 4.00 -0.03 4.03 -0.14 -1.26 -4.40 119.74 119.70 3g0b s LYS 539 Ca 0.26 -0.25 0.02 0.00 -1.36 0.00 0.00 55.97 54.64 3g0b s LYS 539 Cb -0.12 -3.62 -0.03 0.00 -1.68 0.00 0.00 37.83 32.38 3g0b s LYS 539 CO 0.18 -0.12 -0.05 0.71 -0.76 0.00 0.00 175.35 175.32 3g0b s TYR 540 N 1.57 2.97 0.60 3.18 2.02 0.63 -4.61 117.35 123.71 3g0b s TYR 540 Ca 0.08 0.03 -0.20 0.00 -0.37 0.00 0.00 57.07 56.62 3g0b s TYR 540 Cb -0.15 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.71 3g0b s TYR 540 CO 0.09 0.38 1.32 -1.25 -1.57 0.00 0.00 175.55 174.52 3g0b s PRO 541 N -1.17 2.81 -0.05 -1.71 0.04 -1.26 -0.29 135.00 133.36 3g0b s PRO 541 Ca 0.15 2.14 0.04 0.00 0.04 0.00 0.00 61.00 63.38 3g0b s PRO 541 Cb -0.11 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.40 3g0b s PRO 541 CO 0.05 -1.42 -0.18 -1.17 0.04 0.00 0.00 177.00 174.32 3g0b s LEU 542 N -4.00 1.93 -0.18 -3.56 0.20 0.31 -1.66 118.68 111.71 3g0b s LEU 542 Ca 0.78 -0.37 -0.02 0.00 0.69 0.00 0.00 54.13 55.21 3g0b s LEU 542 Cb -0.39 -1.02 -0.01 0.00 -0.43 0.00 0.00 46.19 44.35 3g0b s LEU 542 CO 0.43 0.16 -0.10 -0.22 -0.29 0.00 0.00 176.35 176.33 3g0b s LEU 543 N 0.04 2.72 -0.40 -0.68 2.96 0.13 -0.54 118.68 122.91 3g0b s LEU 543 Ca -0.04 -0.41 -0.20 0.00 -0.22 0.00 0.00 54.13 53.26 3g0b s LEU 543 Cb -0.12 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 44.93 3g0b s LEU 543 CO 0.03 0.04 0.61 -0.22 -1.32 0.00 0.00 176.35 175.49 3g0b s LEU 544 N 1.08 4.41 -0.35 -0.68 2.96 0.79 -0.34 118.68 126.55 3g0b s LEU 544 Ca 0.00 -0.15 -0.21 0.00 -0.22 0.00 0.00 54.13 53.55 3g0b s LEU 544 Cb -0.15 -2.70 0.00 0.00 0.50 0.00 0.00 46.19 43.85 3g0b s LEU 544 CO -0.02 -0.66 0.68 -0.62 -1.32 0.00 0.00 176.35 174.41 3g0b s ASP 545 N 1.88 6.47 -0.02 3.68 3.68 0.14 -0.53 116.67 131.98 3g0b s ASP 545 Ca 0.22 0.24 0.08 0.00 2.13 0.00 0.00 52.55 55.22 3g0b s ASP 545 Cb -0.15 -2.35 -0.02 0.00 -1.45 0.00 0.00 42.92 38.95 3g0b s ASP 545 CO 0.16 -0.62 -0.26 0.54 0.13 0.00 0.00 175.17 175.12 3g0b s VAL 546 N 2.82 2.10 0.00 1.11 0.11 0.55 -4.31 120.40 122.77 3g0b s VAL 546 Ca 0.27 -1.11 0.00 0.00 -2.93 0.00 0.00 61.98 58.20 3g0b s VAL 546 Cb -0.14 -1.73 0.00 0.00 -1.53 0.00 0.00 36.38 32.98 3g0b s VAL 546 CO 0.15 0.57 0.00 0.00 -3.33 0.00 0.00 175.10 172.49 3g0b n TYR 547 N 2.39 0.00 -0.99 1.54 -0.00 -1.26 -4.17 117.16 114.67 3g0b n TYR 547 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.74 3g0b n TYR 547 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.85 3g0b n TYR 547 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3g0b n ALA 548 N -1.75 0.00 -1.15 2.98 0.00 -1.26 -2.63 120.51 116.70 3g0b n ALA 548 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3g0b n ALA 548 Cb 0.00 -1.13 0.11 0.00 0.00 0.00 0.00 19.45 18.44 3g0b n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3g0b s GLY 549 N -2.00 2.10 0.06 0.00 0.00 -1.26 -4.81 107.32 101.40 3g0b s GLY 549 Ca 0.00 0.74 -0.37 0.00 0.00 0.00 0.00 44.72 45.10 3g0b s GLY 549 CO 0.00 1.15 1.39 -1.55 0.00 0.00 0.00 173.10 174.09 3g0b n PRO 550 N -3.24 1.21 -1.33 2.90 -0.04 -1.26 -0.93 135.00 132.31 3g0b n PRO 550 Ca 0.13 0.44 -0.11 0.00 -0.04 0.00 0.00 63.50 63.91 3g0b n PRO 550 Cb 0.51 -2.09 -0.05 0.00 -0.04 0.00 0.00 33.50 31.83 3g0b n PRO 550 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3g0b s SER 552 N -2.66 5.61 -0.23 0.00 1.04 -0.11 -4.04 113.70 113.31 3g0b s SER 552 Ca 0.00 1.71 -0.03 0.00 0.48 0.00 0.00 55.95 58.12 3g0b s SER 552 Cb 0.00 -2.51 0.12 0.00 0.10 0.00 0.00 66.02 63.72 3g0b s SER 552 CO 0.00 -1.28 0.30 -1.58 0.98 0.00 0.00 173.24 171.65 3g0b s GLN 553 N -4.53 0.27 0.00 4.02 0.74 -1.26 -1.21 119.66 117.69 3g0b s GLN 553 Ca 0.61 0.30 0.12 0.00 0.05 0.00 0.00 55.36 56.43 3g0b s GLN 553 Cb -0.15 -0.84 -0.09 0.00 1.10 0.00 0.00 33.01 33.04 3g0b s GLN 553 CO 0.45 -0.70 0.58 1.63 -0.55 0.00 0.00 175.29 176.70 3g0b n LYS 554 N 5.34 2.66 -3.62 1.67 4.76 -1.26 -4.84 118.16 122.88 3g0b n LYS 554 Ca -0.04 -0.23 -0.40 0.00 -2.87 0.00 0.00 58.31 54.77 3g0b n LYS 554 Cb 0.49 -1.10 -0.11 0.00 -1.84 0.00 0.00 35.03 32.47 3g0b n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3g0b s ALA 555 N -1.95 3.25 0.30 7.82 0.00 -1.26 -4.75 121.76 125.16 3g0b s ALA 555 Ca 0.07 -1.78 -0.16 0.00 0.00 0.00 0.00 51.96 50.09 3g0b s ALA 555 Cb 0.09 -2.56 0.02 0.00 0.00 0.00 0.00 23.12 20.67 3g0b s ALA 555 CO 0.43 -1.42 0.66 0.16 0.00 0.00 0.00 175.76 175.59 3g0b s ASP 556 N 1.60 -0.06 -0.06 0.00 1.47 -1.26 -4.46 116.67 113.90 3g0b s ASP 556 Ca 0.01 -0.89 0.08 0.00 1.18 0.00 0.00 52.55 52.94 3g0b s ASP 556 Cb -0.20 0.72 0.33 0.00 -0.34 0.00 0.00 42.92 43.44 3g0b s ASP 556 CO 0.06 -1.38 1.15 0.35 0.68 0.00 0.00 175.17 176.03 3g0b n THR 557 N -0.47 0.87 -2.61 2.11 -2.24 -0.82 -4.92 114.28 106.20 3g0b n THR 557 Ca -0.04 -0.54 -0.42 0.00 -2.27 0.00 0.00 64.05 60.78 3g0b n THR 557 Cb 0.60 -0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.69 3g0b n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3g0b s VAL 558 N -1.68 4.37 -0.06 2.28 1.01 -1.26 -1.37 120.40 123.69 3g0b s VAL 558 Ca 0.24 1.84 -0.30 0.00 0.00 0.00 0.00 61.98 63.76 3g0b s VAL 558 Cb 0.15 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 3g0b s VAL 558 CO 0.11 0.22 1.13 0.12 0.00 0.00 0.00 175.10 176.68 3g0b s PHE 559 N 0.47 3.34 -0.01 5.22 5.36 0.41 -4.92 117.98 127.85 3g0b s PHE 559 Ca 0.51 1.37 0.03 0.00 -0.96 0.00 0.00 56.93 57.89 3g0b s PHE 559 Cb -0.25 -3.33 -0.01 0.00 -0.34 0.00 0.00 43.02 39.09 3g0b s PHE 559 CO 0.30 -0.89 -0.11 1.03 -1.46 0.00 0.00 175.22 174.09 3g0b s ARG 560 N 1.99 0.91 -0.42 10.12 0.52 -1.26 -4.89 118.95 125.92 3g0b s ARG 560 Ca 0.53 -0.42 -0.09 0.00 -0.52 0.00 0.00 55.73 55.23 3g0b s ARG 560 Cb -0.23 -0.88 0.08 0.00 0.52 0.00 0.00 34.95 34.44 3g0b s ARG 560 CO 0.22 0.24 0.26 -0.51 0.02 0.00 0.00 175.30 175.52 3g0b s LEU 561 N -0.31 5.15 0.00 2.53 1.43 -1.26 -4.85 118.68 121.37 3g0b s LEU 561 Ca 0.04 -1.49 0.00 0.00 -1.03 0.00 0.00 54.13 51.65 3g0b s LEU 561 Cb -0.04 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.18 3g0b s LEU 561 CO -0.00 -0.53 0.00 -0.46 0.23 0.00 0.00 176.35 175.58 3g0b n ASN 562 N 4.92 0.00 -0.13 2.29 0.23 -1.26 -5.00 115.26 116.32 3g0b n ASN 562 Ca -0.10 -0.23 -0.09 0.00 -0.53 0.00 0.00 54.58 53.63 3g0b n ASN 562 Cb 0.43 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.12 3g0b n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 3g0b h TRP 563 N 0.23 0.54 -0.86 -2.53 7.01 -1.97 -2.52 115.95 115.86 3g0b h TRP 563 Ca 0.00 -0.02 0.14 0.00 2.11 0.00 0.00 58.89 61.11 3g0b h TRP 563 Cb 0.00 -0.17 -0.07 0.00 -2.10 0.00 0.00 29.16 26.82 3g0b h TRP 563 CO 0.00 0.45 0.56 0.00 -2.79 0.00 0.00 178.44 176.66 3g0b h ALA 564 N 1.04 1.85 -0.39 2.65 0.00 -1.98 -0.89 119.26 121.54 3g0b h ALA 564 Ca 0.13 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3g0b h ALA 564 Cb 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3g0b h ALA 564 CO -0.02 -0.07 0.26 1.15 0.00 0.00 0.00 179.25 180.57 3g0b h THR 565 N 0.67 1.10 -0.39 0.00 2.02 -1.78 -1.15 112.91 113.37 3g0b h THR 565 Ca 0.43 -0.18 -0.07 0.00 0.77 0.00 0.00 66.41 67.35 3g0b h THR 565 Cb 0.69 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3g0b h THR 565 CO -0.19 0.10 -0.04 0.22 0.37 0.00 0.00 175.52 175.98 3g0b h TYR 566 N 0.53 0.79 -0.67 3.16 5.03 -1.09 0.10 116.97 124.83 3g0b h TYR 566 Ca 0.15 -0.15 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 3g0b h TYR 566 Cb -0.06 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 37.99 3g0b h TYR 566 CO -0.05 0.82 0.39 -0.07 -1.32 0.00 0.00 178.16 177.93 3g0b h LEU 567 N 0.54 0.81 -0.05 2.82 3.38 -1.11 0.32 115.31 122.02 3g0b h LEU 567 Ca 0.11 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3g0b h LEU 567 Cb 0.53 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3g0b h LEU 567 CO 0.03 0.64 -0.10 0.00 0.09 0.00 0.00 178.44 179.10 3g0b h ALA 568 N 1.20 0.08 -0.12 1.53 0.00 -1.16 -1.77 119.26 119.01 3g0b h ALA 568 Ca 0.24 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3g0b h ALA 568 Cb -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3g0b h ALA 568 CO -0.04 -0.05 -0.03 1.03 0.00 0.00 0.00 179.25 180.16 3g0b h SER 569 N -0.35 0.24 0.19 0.00 0.87 -0.83 -2.99 113.55 110.68 3g0b h SER 569 Ca 0.00 -0.37 -0.35 0.00 -1.23 0.00 0.00 61.79 59.85 3g0b h SER 569 Cb 0.69 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.53 3g0b h SER 569 CO 0.02 0.55 -2.10 0.41 -0.53 0.00 0.00 176.83 175.18 3g0b n THR 570 N -4.74 1.56 0.72 2.23 -1.04 0.11 -4.53 114.28 108.59 3g0b n THR 570 Ca -0.06 -0.75 0.08 0.00 -2.04 0.00 0.00 64.05 61.28 3g0b n THR 570 Cb 0.25 -1.07 0.01 0.00 -1.82 0.00 0.00 70.33 67.70 3g0b n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3g0b n GLU 571 N -3.08 1.60 -3.28 -2.82 -0.58 -0.73 -4.98 120.64 106.77 3g0b n GLU 571 Ca -0.30 -0.98 -0.24 0.00 -0.42 0.00 0.00 57.16 55.23 3g0b n GLU 571 Cb 1.07 -1.29 0.02 0.00 -0.57 0.00 0.00 31.44 30.67 3g0b n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3g0b n ASN 572 N 0.13 -5.01 -4.73 1.62 5.03 -0.84 -4.96 115.26 106.50 3g0b n ASN 572 Ca 0.07 -0.39 -0.36 0.00 0.87 0.00 0.00 54.58 54.78 3g0b n ASN 572 Cb 0.36 -4.06 -0.07 0.00 -1.02 0.00 0.00 39.78 34.98 3g0b n ASN 572 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3g0b s ILE 573 N -3.09 5.36 0.02 2.41 1.01 -0.87 -4.49 121.20 121.54 3g0b s ILE 573 Ca 0.40 0.37 -0.30 0.00 0.00 0.00 0.00 60.65 61.12 3g0b s ILE 573 Cb -0.19 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 3g0b s ILE 573 CO 0.49 0.42 1.20 -0.63 0.00 0.00 0.00 174.94 176.41 3g0b s ILE 574 N 0.40 4.14 -0.26 2.92 1.01 -0.66 -3.29 121.20 125.45 3g0b s ILE 574 Ca 0.12 1.52 -0.03 0.00 0.00 0.00 0.00 60.65 62.26 3g0b s ILE 574 Cb -0.12 -3.97 0.02 0.00 0.01 0.00 0.00 42.46 38.40 3g0b s ILE 574 CO 0.01 0.08 -0.03 0.54 0.00 0.00 0.00 174.94 175.54 3g0b s VAL 575 N 1.47 3.10 0.04 2.92 0.11 -0.93 0.18 120.40 127.30 3g0b s VAL 575 Ca 0.58 -0.98 0.03 0.00 -2.93 0.00 0.00 61.98 58.67 3g0b s VAL 575 Cb -0.28 -2.59 -0.04 0.00 -1.53 0.00 0.00 36.38 31.94 3g0b s VAL 575 CO 0.27 0.15 0.02 0.00 -3.33 0.00 0.00 175.10 172.22 3g0b s ALA 576 N 1.35 3.37 0.06 1.54 0.00 0.54 -0.31 121.76 128.32 3g0b s ALA 576 Ca 0.00 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.01 3g0b s ALA 576 Cb -0.17 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 3g0b s ALA 576 CO -0.03 0.69 -0.15 -1.12 0.00 0.00 0.00 175.76 175.15 3g0b s SER 577 N -1.98 1.80 -0.02 0.00 0.01 -0.28 0.28 113.70 113.51 3g0b s SER 577 Ca 0.24 -0.56 0.01 0.00 1.31 0.00 0.00 55.95 56.95 3g0b s SER 577 Cb -0.12 -0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.04 3g0b s SER 577 CO 0.16 -0.01 -0.03 0.12 0.41 0.00 0.00 173.24 173.89 3g0b s PHE 578 N -1.08 0.46 -0.61 2.43 5.36 -1.26 -1.19 117.98 122.08 3g0b s PHE 578 Ca 0.01 -0.08 -0.10 0.00 -0.96 0.00 0.00 56.93 55.79 3g0b s PHE 578 Cb -0.09 -0.40 0.16 0.00 -0.34 0.00 0.00 43.02 42.34 3g0b s PHE 578 CO 0.02 -0.09 0.51 -0.51 -1.46 0.00 0.00 175.22 173.69 3g0b s ASP 579 N 0.49 5.98 0.00 6.13 1.01 -0.07 -4.82 116.67 125.39 3g0b s ASP 579 Ca -0.05 -2.31 0.00 0.00 0.71 0.00 0.00 52.55 50.89 3g0b s ASP 579 Cb -0.09 -2.06 0.00 0.00 1.01 0.00 0.00 42.92 41.78 3g0b s ASP 579 CO -0.01 -0.62 0.00 0.61 0.21 0.00 0.00 175.17 175.37 3g0b n GLY 580 N 4.40 1.33 3.78 0.21 0.00 -1.26 -3.97 105.19 109.67 3g0b n GLY 580 Ca 0.01 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 3g0b n GLY 580 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g0b s ARG 581 N 2.40 4.18 0.00 1.61 0.52 -1.26 -1.82 118.95 124.58 3g0b s ARG 581 Ca 0.00 2.43 0.00 0.00 -0.52 0.00 0.00 55.73 57.64 3g0b s ARG 581 Cb 0.00 -2.99 0.00 0.00 0.52 0.00 0.00 34.95 32.48 3g0b s ARG 581 CO 0.00 -0.41 0.00 0.41 0.02 0.00 0.00 175.30 175.32 3g0b n GLY 582 N 0.59 3.19 3.74 -3.53 0.00 0.23 -4.08 105.19 105.33 3g0b n GLY 582 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3g0b n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g0b s SER 583 N 0.14 3.96 0.50 1.61 1.04 -0.76 0.47 113.70 120.67 3g0b s SER 583 Ca 0.00 1.73 0.08 0.00 0.48 0.00 0.00 55.95 58.25 3g0b s SER 583 Cb 0.00 -2.40 0.04 0.00 0.10 0.00 0.00 66.02 63.76 3g0b s SER 583 CO 0.00 -2.37 0.59 -0.83 0.98 0.00 0.00 173.24 171.61 3g0b s GLY 584 N -3.33 1.98 -0.39 7.32 0.00 -0.35 -3.49 107.32 109.06 3g0b s GLY 584 Ca 0.62 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 43.52 3g0b s GLY 584 CO 0.57 -1.69 0.00 -1.72 0.00 0.00 0.00 173.10 170.25 3g0b n TYR 585 N -1.93 0.00 -0.77 1.90 4.02 -1.26 -4.80 117.16 114.32 3g0b n TYR 585 Ca 0.08 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 58.00 3g0b n TYR 585 Cb 0.62 -1.30 0.03 0.00 -0.02 0.00 0.00 39.34 38.66 3g0b n TYR 585 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3g0b n GLN 586 N -1.72 1.46 0.00 -0.72 6.02 -1.26 -4.37 117.38 116.78 3g0b n GLN 586 Ca -0.04 -1.43 0.00 0.00 -0.01 0.00 0.00 57.00 55.52 3g0b n GLN 586 Cb 0.27 -0.92 0.00 0.00 1.02 0.00 0.00 30.24 30.61 3g0b n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g0b n GLY 587 N -0.52 0.69 0.17 1.08 0.00 -1.26 -4.64 105.19 100.70 3g0b n GLY 587 Ca 0.04 -1.81 0.03 0.00 0.00 0.00 0.00 46.02 44.28 3g0b n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3g0b h ASP 588 N 0.00 0.00 -0.88 1.61 3.32 -0.82 -2.14 116.42 117.51 3g0b h ASP 588 Ca 0.00 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.12 3g0b h ASP 588 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 3g0b h ASP 588 CO 0.00 0.45 0.54 0.50 -1.72 0.00 0.00 179.24 179.01 3g0b h LYS 589 N 0.00 0.93 0.10 3.56 1.63 -1.86 0.46 116.57 121.38 3g0b h LYS 589 Ca -0.00 -0.06 -0.13 0.00 -0.85 0.00 0.00 60.65 59.61 3g0b h LYS 589 Cb 0.96 -0.21 0.02 0.00 -0.60 0.00 0.00 32.23 32.40 3g0b h LYS 589 CO 0.06 0.62 -0.57 0.82 -3.45 0.00 0.00 179.45 176.92 3g0b h ILE 590 N 0.96 1.59 -0.39 2.00 2.04 -1.79 -3.29 117.51 118.62 3g0b h ILE 590 Ca 0.39 -2.46 -0.09 0.00 1.00 0.00 0.00 64.86 63.70 3g0b h ILE 590 Cb 0.23 3.23 -0.01 0.00 -0.74 0.00 0.00 36.82 39.53 3g0b h ILE 590 CO -0.19 0.68 -0.12 -0.03 0.00 0.00 0.00 178.15 178.49 3g0b h MET 591 N -0.54 0.78 -0.01 2.37 4.05 -1.22 0.65 114.93 121.02 3g0b h MET 591 Ca -0.10 -0.31 0.00 0.00 -0.28 0.00 0.00 59.70 59.01 3g0b h MET 591 Cb 1.44 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.21 3g0b h MET 591 CO 0.11 0.92 -0.01 0.72 0.23 0.00 0.00 176.91 178.88 3g0b n HIS 592 N -4.32 0.00 0.10 1.39 8.25 0.16 -4.04 115.22 116.76 3g0b n HIS 592 Ca -0.01 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.58 3g0b n HIS 592 Cb 0.38 -0.02 0.63 0.00 1.12 0.00 0.00 29.99 32.10 3g0b n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3g0b h ALA 593 N 4.07 2.19 -0.37 -1.41 0.00 -1.60 -0.51 119.26 121.64 3g0b h ALA 593 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3g0b h ALA 593 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3g0b h ALA 593 CO 0.00 -0.27 0.00 0.44 0.00 0.00 0.00 179.25 179.42 3g0b n ILE 594 N -4.46 0.47 -1.61 0.00 -5.35 -1.26 -4.94 119.36 102.21 3g0b n ILE 594 Ca 0.04 -0.71 -0.58 0.00 -0.27 0.00 0.00 62.75 61.23 3g0b n ILE 594 Cb 0.33 0.94 -0.07 0.00 -1.74 0.00 0.00 39.64 39.09 3g0b n ILE 594 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3g0b n ASN 595 N 1.40 1.25 0.00 7.28 4.05 -0.20 -0.36 115.26 128.68 3g0b n ASN 595 Ca 0.19 1.13 0.00 0.00 0.45 0.00 0.00 54.58 56.35 3g0b n ASN 595 Cb 0.59 -1.05 0.00 0.00 1.23 0.00 0.00 39.78 40.54 3g0b n ASN 595 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3g0b n ARG 596 N 3.03 -0.73 -2.70 1.20 1.74 0.36 -4.80 116.66 114.76 3g0b n ARG 596 Ca 0.22 0.18 -0.07 0.00 -0.77 0.00 0.00 57.85 57.42 3g0b n ARG 596 Cb 0.11 -4.16 0.04 0.00 -1.02 0.00 0.00 32.46 27.42 3g0b n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3g0b n ARG 597 N -1.06 1.28 -1.99 5.56 5.12 0.51 -4.89 116.66 121.19 3g0b n ARG 597 Ca 0.00 -3.22 -0.38 0.00 -1.93 0.00 0.00 57.85 52.32 3g0b n ARG 597 Cb 0.18 -1.25 0.02 0.00 -1.16 0.00 0.00 32.46 30.25 3g0b n ARG 597 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3g0b s LEU 598 N -3.29 3.89 -0.79 0.55 1.02 -1.21 -3.10 118.68 115.76 3g0b s LEU 598 Ca 0.27 2.55 -0.00 0.00 0.02 0.00 0.00 54.13 56.96 3g0b s LEU 598 Cb 0.43 -4.29 0.00 0.00 0.02 0.00 0.00 46.19 42.34 3g0b s LEU 598 CO 0.01 -1.32 0.02 0.61 0.02 0.00 0.00 176.35 175.70 3g0b n GLY 599 N 0.60 -0.00 0.00 -3.19 0.00 -1.26 -4.83 105.19 96.50 3g0b n GLY 599 Ca 0.09 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3g0b n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g0b n THR 600 N -3.99 0.00 -0.12 2.61 -2.24 -1.18 -4.81 114.28 104.55 3g0b n THR 600 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3g0b n THR 600 Cb 0.58 0.00 0.28 0.00 -2.10 0.00 0.00 70.33 69.09 3g0b n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3g0b h PHE 601 N 0.00 0.78 0.00 4.78 0.04 -1.93 -0.69 116.94 119.93 3g0b h PHE 601 Ca 0.00 -0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 3g0b h PHE 601 Cb 0.00 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 37.89 3g0b h PHE 601 CO 0.00 0.56 -0.31 1.05 -0.60 0.00 0.00 178.31 179.01 3g0b h GLU 602 N 0.80 0.00 -0.00 1.51 9.09 -1.91 -0.35 114.58 123.72 3g0b h GLU 602 Ca 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.60 3g0b h GLU 602 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.16 3g0b h GLU 602 CO -0.03 0.31 -0.02 0.28 0.05 0.00 0.00 179.01 179.60 3g0b h VAL 603 N 0.00 1.54 -0.85 -1.06 2.07 -1.59 -3.17 116.25 113.20 3g0b h VAL 603 Ca -0.00 -1.63 0.03 0.00 0.82 0.00 0.00 66.70 65.92 3g0b h VAL 603 Cb 0.94 2.63 -0.05 0.00 -1.52 0.00 0.00 31.29 33.30 3g0b h VAL 603 CO 0.04 0.43 0.56 -0.33 0.02 0.00 0.00 177.57 178.28 3g0b h GLU 604 N -0.65 1.04 -0.01 1.57 5.08 -1.09 -2.85 114.58 117.66 3g0b h GLU 604 Ca -0.00 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 3g0b h GLU 604 Cb 0.71 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3g0b h GLU 604 CO 0.01 0.69 -0.51 -0.44 -1.00 0.00 0.00 179.01 177.75 3g0b h ASP 605 N 1.07 0.02 -0.33 1.42 3.32 -1.13 -0.08 116.42 120.71 3g0b h ASP 605 Ca 0.33 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.24 3g0b h ASP 605 Cb 0.00 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3g0b h ASP 605 CO -0.09 0.53 -0.26 1.56 -1.72 0.00 0.00 179.24 179.25 3g0b h GLN 606 N 0.02 0.84 -0.02 3.56 1.08 -1.48 -0.41 115.11 118.70 3g0b h GLN 606 Ca -0.00 -0.37 -0.00 0.00 -1.45 0.00 0.00 58.65 56.83 3g0b h GLN 606 Cb 0.91 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.31 3g0b h GLN 606 CO 0.07 1.00 0.00 0.82 -0.95 0.00 0.00 178.83 179.78 3g0b h ILE 607 N 0.72 1.19 -0.88 2.54 2.04 -1.32 -2.09 117.51 119.71 3g0b h ILE 607 Ca 0.09 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 3g0b h ILE 607 Cb 0.80 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 3g0b h ILE 607 CO 0.07 0.15 0.45 -0.08 0.00 0.00 0.00 178.15 178.74 3g0b h GLU 608 N -0.20 1.25 -0.34 2.37 4.57 -0.95 -0.92 114.58 120.36 3g0b h GLU 608 Ca 0.01 -0.17 0.04 0.00 -1.18 0.00 0.00 59.36 58.06 3g0b h GLU 608 Cb 0.24 -0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 28.56 3g0b h GLU 608 CO 0.00 0.94 0.13 0.00 -1.18 0.00 0.00 179.01 178.89 3g0b h ALA 609 N 1.25 0.40 -0.95 2.92 0.00 -1.02 0.20 119.26 122.05 3g0b h ALA 609 Ca 0.31 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 3g0b h ALA 609 Cb 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3g0b h ALA 609 CO -0.04 -0.26 0.59 0.00 0.00 0.00 0.00 179.25 179.53 3g0b h ALA 610 N 1.21 1.25 -0.92 0.00 0.00 -1.11 0.36 119.26 120.04 3g0b h ALA 610 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3g0b h ALA 610 Cb 0.11 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3g0b h ALA 610 CO -0.15 0.66 0.58 0.00 0.00 0.00 0.00 179.25 180.34 3g0b h ARG 611 N 1.31 1.23 -0.27 0.00 3.08 -0.23 -1.44 114.38 118.07 3g0b h ARG 611 Ca 0.34 -0.10 -0.12 0.00 0.07 0.00 0.00 59.98 60.18 3g0b h ARG 611 Cb -0.08 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.69 3g0b h ARG 611 CO -0.07 0.85 -0.34 1.96 -1.07 0.00 0.00 179.97 181.30 3g0b h GLN 612 N 1.26 0.58 -0.22 0.04 1.08 0.28 -2.68 115.11 115.46 3g0b h GLN 612 Ca 0.33 -0.27 -0.10 0.00 -1.45 0.00 0.00 58.65 57.16 3g0b h GLN 612 Cb -0.09 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 3g0b h GLN 612 CO -0.07 0.84 -0.31 0.74 -0.95 0.00 0.00 178.83 179.09 3g0b h PHE 613 N 0.49 0.50 -0.39 2.96 0.04 -0.00 -2.82 116.94 117.72 3g0b h PHE 613 Ca 0.05 -0.12 -0.07 0.00 2.80 0.00 0.00 57.97 60.63 3g0b h PHE 613 Cb 0.82 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.83 3g0b h PHE 613 CO 0.03 0.70 -0.07 0.66 -0.60 0.00 0.00 178.31 179.04 3g0b h SER 614 N 0.38 0.64 0.00 2.17 4.64 -1.14 -2.02 113.55 118.22 3g0b h SER 614 Ca 0.05 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3g0b h SER 614 Cb 0.73 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3g0b h SER 614 CO 0.06 0.75 0.00 0.29 -0.87 0.00 0.00 176.83 177.06 3g0b n LYS 615 N -4.21 0.47 0.06 4.77 5.02 -1.02 -3.02 118.16 120.24 3g0b n LYS 615 Ca 0.02 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.42 3g0b n LYS 615 Cb 0.32 -1.45 0.18 0.00 -0.02 0.00 0.00 35.03 34.05 3g0b n LYS 615 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3g0b n MET 616 N -0.95 0.29 0.00 1.97 2.81 -0.76 -4.97 117.12 115.51 3g0b n MET 616 Ca 0.10 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 3g0b n MET 616 Cb 0.05 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 30.87 3g0b n MET 616 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g0b n GLY 617 N 1.33 2.79 0.97 3.03 0.00 -1.17 -4.81 105.19 107.34 3g0b n GLY 617 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 3g0b n GLY 617 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3g0b n PHE 618 N -2.00 0.85 -4.40 1.61 -1.74 -1.26 -4.73 117.46 105.78 3g0b n PHE 618 Ca 0.00 -0.61 -0.34 0.00 -0.56 0.00 0.00 57.45 55.94 3g0b n PHE 618 Cb 0.00 -0.14 -0.11 0.00 1.52 0.00 0.00 39.48 40.74 3g0b n PHE 618 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 3g0b s VAL 619 N -1.61 3.98 -0.49 1.97 1.01 -1.26 -0.27 120.40 123.72 3g0b s VAL 619 Ca 0.36 -0.34 -0.28 0.00 0.00 0.00 0.00 61.98 61.72 3g0b s VAL 619 Cb 0.23 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.92 3g0b s VAL 619 CO 0.18 0.52 1.08 -0.62 0.00 0.00 0.00 175.10 176.26 3g0b s ASP 620 N 0.05 6.57 0.27 3.32 3.68 0.60 -4.68 116.67 126.47 3g0b s ASP 620 Ca 0.01 0.31 0.24 0.00 2.13 0.00 0.00 52.55 55.24 3g0b s ASP 620 Cb -0.13 -2.52 0.99 0.00 -1.45 0.00 0.00 42.92 39.81 3g0b s ASP 620 CO 0.03 -1.23 1.73 -0.46 0.13 0.00 0.00 175.17 175.36 3g0b n ASN 621 N 7.73 0.71 0.08 -0.34 0.23 -1.26 -1.28 115.26 121.12 3g0b n ASN 621 Ca 0.10 0.67 0.13 0.00 -0.53 0.00 0.00 54.58 54.95 3g0b n ASN 621 Cb 0.49 -0.82 0.46 0.00 -2.08 0.00 0.00 39.78 37.83 3g0b n ASN 621 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3g0b n LYS 622 N -2.28 0.18 -3.24 -3.83 5.02 -1.26 -4.32 118.16 108.43 3g0b n LYS 622 Ca 0.02 0.19 -0.24 0.00 -2.02 0.00 0.00 58.31 56.26 3g0b n LYS 622 Cb 0.24 -1.73 -0.07 0.00 -0.02 0.00 0.00 35.03 33.46 3g0b n LYS 622 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3g0b n ARG 623 N -2.05 1.40 -4.41 1.97 1.74 -0.41 -4.79 116.66 110.12 3g0b n ARG 623 Ca 0.05 -3.74 -0.34 0.00 -0.77 0.00 0.00 57.85 53.06 3g0b n ARG 623 Cb 0.37 -1.62 -0.14 0.00 -1.02 0.00 0.00 32.46 30.06 3g0b n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3g0b s ILE 624 N -1.88 3.32 0.32 0.55 1.01 -1.25 -0.53 121.20 122.74 3g0b s ILE 624 Ca 0.38 -0.55 0.07 0.00 0.00 0.00 0.00 60.65 60.55 3g0b s ILE 624 Cb 0.19 -2.45 -0.06 0.00 0.01 0.00 0.00 42.46 40.15 3g0b s ILE 624 CO -0.08 0.49 -0.05 0.00 0.00 0.00 0.00 174.94 175.30 3g0b s ALA 625 N 0.73 2.63 -0.02 9.38 0.00 0.30 -0.27 121.76 134.50 3g0b s ALA 625 Ca -0.04 -2.03 -0.03 0.00 0.00 0.00 0.00 51.96 49.86 3g0b s ALA 625 Cb -0.15 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.15 3g0b s ALA 625 CO 0.02 -0.06 0.08 -1.50 0.00 0.00 0.00 175.76 174.29 3g0b s ILE 626 N -2.89 0.01 0.06 0.00 2.07 -0.78 -0.15 121.20 119.52 3g0b s ILE 626 Ca 0.32 -0.12 -0.17 0.00 -1.41 0.00 0.00 60.65 59.27 3g0b s ILE 626 Cb 0.05 -0.16 0.03 0.00 0.13 0.00 0.00 42.46 42.52 3g0b s ILE 626 CO 0.14 -0.06 0.40 -1.66 -1.91 0.00 0.00 174.94 171.85 3g0b s TRP 627 N -0.17 -0.24 -0.05 3.50 1.48 0.30 -1.66 118.94 122.11 3g0b s TRP 627 Ca -0.02 0.11 -0.31 0.00 -1.06 0.00 0.00 56.10 54.83 3g0b s TRP 627 Cb -0.02 0.22 0.11 0.00 -1.16 0.00 0.00 33.47 32.62 3g0b s TRP 627 CO 0.00 -0.60 1.07 0.20 -4.06 0.00 0.00 176.95 173.56 3g0b s GLY 628 N -2.22 -0.37 0.02 3.67 0.00 -1.05 -0.33 107.32 107.04 3g0b s GLY 628 Ca -0.03 1.04 0.04 0.00 0.00 0.00 0.00 44.72 45.76 3g0b s GLY 628 CO -0.05 0.32 -0.06 0.86 0.00 0.00 0.00 173.10 174.17 3g0b s TRP 629 N -2.81 2.89 0.00 1.90 -0.11 -1.26 -1.26 118.94 118.29 3g0b s TRP 629 Ca 0.09 -0.04 0.00 0.00 1.22 0.00 0.00 56.10 57.37 3g0b s TRP 629 Cb -0.00 -1.59 0.00 0.00 -1.50 0.00 0.00 33.47 30.37 3g0b s TRP 629 CO -0.05 0.39 0.00 0.43 -4.62 0.00 0.00 176.95 173.10 3g0b n SER 630 N 1.42 0.00 -0.35 5.86 7.64 -0.51 -1.40 113.62 126.29 3g0b n SER 630 Ca -0.15 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.75 3g0b n SER 630 Cb 0.52 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.91 3g0b n SER 630 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3g0b h TYR 631 N 0.00 1.17 0.00 1.43 3.20 -1.86 0.09 116.97 121.00 3g0b h TYR 631 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3g0b h TYR 631 Cb 0.00 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 37.88 3g0b h TYR 631 CO 0.00 0.64 -0.07 0.78 -1.64 0.00 0.00 178.16 177.87 3g0b h GLY 632 N 1.18 0.00 0.98 1.82 0.00 -0.98 0.07 103.07 106.14 3g0b h GLY 632 Ca 0.40 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.57 3g0b h GLY 632 CO -0.14 0.00 -0.54 -1.33 0.00 0.00 0.00 176.54 174.53 3g0b h GLY 633 N 0.31 0.70 0.50 4.60 0.00 -0.89 -1.13 103.07 107.16 3g0b h GLY 633 Ca -0.00 -0.93 0.04 0.00 0.00 0.00 0.00 47.33 46.44 3g0b h GLY 633 CO 0.01 0.83 -0.13 -1.82 0.00 0.00 0.00 176.54 175.43 3g0b h TYR 634 N 0.30 -0.32 -0.34 5.60 5.03 -0.85 -0.77 116.97 125.64 3g0b h TYR 634 Ca -0.02 0.02 -0.16 0.00 2.58 0.00 0.00 58.73 61.15 3g0b h TYR 634 Cb 1.17 0.16 -0.00 0.00 1.55 0.00 0.00 36.73 39.61 3g0b h TYR 634 CO 0.10 -0.19 -0.40 0.28 -1.32 0.00 0.00 178.16 176.63 3g0b h VAL 635 N -0.15 1.28 -0.28 1.81 2.07 -1.00 0.11 116.25 120.10 3g0b h VAL 635 Ca 0.09 -1.57 0.06 0.00 0.82 0.00 0.00 66.70 66.10 3g0b h VAL 635 Cb 0.28 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 3g0b h VAL 635 CO -0.23 0.52 -0.07 0.74 0.02 0.00 0.00 177.57 178.55 3g0b h THR 636 N 0.65 0.72 -0.52 2.57 2.02 -1.18 0.39 112.91 117.56 3g0b h THR 636 Ca 0.05 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 3g0b h THR 636 Cb 0.99 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 3g0b h THR 636 CO 0.10 0.00 0.20 0.28 0.37 0.00 0.00 175.52 176.46 3g0b h SER 637 N 0.00 0.73 -0.50 4.18 0.02 -0.86 0.48 113.55 117.60 3g0b h SER 637 Ca 0.14 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 3g0b h SER 637 Cb 0.21 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 3g0b h SER 637 CO -0.29 0.71 0.15 0.24 -1.14 0.00 0.00 176.83 176.50 3g0b h MET 638 N 0.71 0.84 -0.18 3.45 2.07 -0.42 -0.48 114.93 120.92 3g0b h MET 638 Ca 0.17 -0.16 -0.06 0.00 -2.07 0.00 0.00 59.70 57.58 3g0b h MET 638 Cb 0.22 -0.13 -0.00 0.00 -1.87 0.00 0.00 31.60 29.81 3g0b h MET 638 CO -0.01 0.75 -0.13 0.28 1.07 0.00 0.00 176.91 178.86 3g0b h VAL 639 N 0.82 1.33 -0.03 -2.22 2.07 0.13 -2.77 116.25 115.57 3g0b h VAL 639 Ca 0.18 -1.25 -0.06 0.00 0.82 0.00 0.00 66.70 66.39 3g0b h VAL 639 Cb 0.27 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 3g0b h VAL 639 CO -0.00 0.37 -0.25 -0.07 0.02 0.00 0.00 177.57 177.64 3g0b h LEU 640 N 0.07 0.04 -2.02 2.57 3.38 -0.75 -2.02 115.31 116.57 3g0b h LEU 640 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3g0b h LEU 640 Cb 0.65 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3g0b h LEU 640 CO 0.04 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.47 3g0b n GLY 641 N -0.77 1.62 0.13 0.83 0.00 -0.20 -4.33 105.19 102.47 3g0b n GLY 641 Ca -0.02 -0.52 0.10 0.00 0.00 0.00 0.00 46.02 45.57 3g0b n GLY 641 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3g0b h SER 642 N 2.59 0.00 -0.60 1.61 4.64 -1.07 -3.42 113.55 117.30 3g0b h SER 642 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 3g0b h SER 642 Cb 0.91 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.96 3g0b h SER 642 CO 0.11 0.10 -0.16 0.61 -0.87 0.00 0.00 176.83 176.63 3g0b n GLY 643 N 1.20 0.63 0.25 -0.77 0.00 -1.26 -4.92 105.19 100.31 3g0b n GLY 643 Ca -0.01 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.31 3g0b n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3g0b h SER 644 N 0.00 0.54 0.00 1.61 4.64 -1.91 -3.47 113.55 114.95 3g0b h SER 644 Ca -0.16 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3g0b h SER 644 Cb 0.72 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3g0b h SER 644 CO 0.22 0.74 0.00 0.61 -0.87 0.00 0.00 176.83 177.53 3g0b n GLY 645 N -0.46 0.82 0.14 -0.77 0.00 -1.26 -4.95 105.19 98.71 3g0b n GLY 645 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 3g0b n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3g0b h VAL 646 N 0.00 1.41 -3.26 1.61 2.07 -1.95 -3.45 116.25 112.68 3g0b h VAL 646 Ca 0.00 -2.64 -0.63 0.00 0.82 0.00 0.00 66.70 64.25 3g0b h VAL 646 Cb 0.00 2.63 -0.17 0.00 -1.52 0.00 0.00 31.29 32.23 3g0b h VAL 646 CO 0.00 0.78 -0.59 -0.36 0.02 0.00 0.00 177.57 177.42 3g0b s PHE 647 N -3.03 3.21 0.12 1.57 0.40 -1.26 -4.51 117.98 114.47 3g0b s PHE 647 Ca -0.06 0.04 -0.09 0.00 -0.60 0.00 0.00 56.93 56.22 3g0b s PHE 647 Cb 0.08 -1.99 -0.12 0.00 0.51 0.00 0.00 43.02 41.49 3g0b s PHE 647 CO 0.88 0.20 1.30 -0.22 0.70 0.00 0.00 175.22 178.09 3g0b h LYS 648 N 6.33 0.62 -2.84 0.44 3.64 -0.94 -3.45 116.57 120.37 3g0b h LYS 648 Ca -0.39 -0.57 0.07 0.00 -1.27 0.00 0.00 60.65 58.49 3g0b h LYS 648 Cb 1.18 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 33.10 3g0b h LYS 648 CO 0.65 1.19 0.32 0.00 -2.27 0.00 0.00 179.45 179.34 3g0b s GLY 650 N -3.00 -0.37 -0.08 0.00 0.00 -0.45 -1.87 107.32 101.55 3g0b s GLY 650 Ca 0.13 0.59 -0.01 0.00 0.00 0.00 0.00 44.72 45.43 3g0b s GLY 650 CO 0.07 0.61 -0.02 -0.42 0.00 0.00 0.00 173.10 173.34 3g0b s ILE 651 N -2.44 0.55 -0.24 0.90 1.01 -0.67 -1.15 121.20 119.18 3g0b s ILE 651 Ca 0.15 -0.01 -0.08 0.00 0.00 0.00 0.00 60.65 60.72 3g0b s ILE 651 Cb 0.04 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 3g0b s ILE 651 CO -0.03 0.28 0.10 0.00 0.00 0.00 0.00 174.94 175.29 3g0b s ALA 652 N 1.78 3.30 -0.21 9.38 0.00 -0.27 -2.52 121.76 133.22 3g0b s ALA 652 Ca 0.03 -1.03 -0.06 0.00 0.00 0.00 0.00 51.96 50.89 3g0b s ALA 652 Cb -0.13 -2.14 -0.03 0.00 0.00 0.00 0.00 23.12 20.83 3g0b s ALA 652 CO -0.05 -0.35 0.04 0.08 0.00 0.00 0.00 175.76 175.48 3g0b s VAL 653 N 1.36 4.27 -1.40 0.00 1.01 -0.39 -1.04 120.40 124.22 3g0b s VAL 653 Ca 0.06 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 3g0b s VAL 653 Cb -0.15 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.29 3g0b s VAL 653 CO 0.05 0.40 0.35 0.00 0.00 0.00 0.00 175.10 175.90 3g0b n ALA 654 N 4.33 -2.19 -1.80 5.51 0.00 0.10 -1.42 120.51 125.05 3g0b n ALA 654 Ca -0.17 -0.39 -0.35 0.00 0.00 0.00 0.00 53.44 52.54 3g0b n ALA 654 Cb 0.52 -1.72 -0.05 0.00 0.00 0.00 0.00 19.45 18.20 3g0b n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3g0b s PRO 655 N -6.99 4.19 0.32 0.00 0.04 -1.26 -3.36 135.00 127.94 3g0b s PRO 655 Ca 0.15 1.33 -0.29 0.00 0.04 0.00 0.00 61.00 62.23 3g0b s PRO 655 Cb -0.07 -2.40 -0.10 0.00 0.04 0.00 0.00 34.50 31.97 3g0b s PRO 655 CO 0.95 -0.08 1.35 0.08 0.04 0.00 0.00 177.00 179.33 3g0b s VAL 656 N -1.87 2.63 -0.07 -0.36 1.01 -1.24 -4.48 120.40 116.03 3g0b s VAL 656 Ca 0.59 0.61 0.07 0.00 0.00 0.00 0.00 61.98 63.26 3g0b s VAL 656 Cb -0.16 -3.39 -0.09 0.00 0.00 0.00 0.00 36.38 32.73 3g0b s VAL 656 CO 0.21 0.14 0.04 -1.54 0.00 0.00 0.00 175.10 173.94 3g0b n SER 657 N 1.07 3.14 -3.64 3.32 3.41 -1.26 -4.05 113.62 115.61 3g0b n SER 657 Ca 0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.47 3g0b n SER 657 Cb 0.41 0.73 -0.08 0.00 -0.26 0.00 0.00 64.21 65.01 3g0b n SER 657 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g0b s ARG 658 N -2.21 0.80 0.39 4.33 1.70 -1.26 -0.94 118.95 121.76 3g0b s ARG 658 Ca -0.04 0.48 0.18 0.00 -0.47 0.00 0.00 55.73 55.88 3g0b s ARG 658 Cb 0.02 0.38 0.78 0.00 -0.57 0.00 0.00 34.95 35.56 3g0b s ARG 658 CO 0.31 -0.18 1.79 -1.49 -1.08 0.00 0.00 175.30 174.66 3g0b h TRP 659 N 4.30 0.00 0.00 5.89 4.06 -1.87 -2.19 115.95 126.13 3g0b h TRP 659 Ca -0.28 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.67 3g0b h TRP 659 Cb 1.16 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.32 3g0b h TRP 659 CO 0.41 0.36 0.00 0.93 -3.56 0.00 0.00 178.44 176.58 3g0b h GLU 660 N 0.00 0.00 0.00 0.49 3.07 -1.90 -1.82 114.58 114.42 3g0b h GLU 660 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3g0b h GLU 660 Cb 0.78 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 3g0b h GLU 660 CO 0.05 0.00 -0.31 1.88 -1.40 0.00 0.00 179.01 179.23 3g0b h TYR 661 N 0.00 0.00 -2.53 4.33 0.05 -1.76 -3.23 116.97 113.83 3g0b h TYR 661 Ca 0.00 0.00 -0.45 0.00 0.05 0.00 0.00 58.73 58.33 3g0b h TYR 661 Cb 0.12 0.00 0.03 0.00 1.01 0.00 0.00 36.73 37.89 3g0b h TYR 661 CO 0.00 0.00 -0.10 -0.47 -1.05 0.00 0.00 178.16 176.54 3g0b s TYR 662 N -3.24 3.07 0.69 4.88 5.04 -0.68 -4.82 117.35 122.28 3g0b s TYR 662 Ca 0.05 0.08 -0.15 0.00 -2.44 0.00 0.00 57.07 54.62 3g0b s TYR 662 Cb 0.07 -2.44 0.02 0.00 0.35 0.00 0.00 41.96 39.96 3g0b s TYR 662 CO 0.70 -0.51 1.14 0.16 -1.34 0.00 0.00 175.55 175.70 3g0b s ASP 663 N -4.29 4.76 0.08 4.32 1.47 -1.26 -0.40 116.67 121.35 3g0b s ASP 663 Ca 0.51 2.10 -0.21 0.00 1.18 0.00 0.00 52.55 56.13 3g0b s ASP 663 Cb -0.10 -2.56 -0.11 0.00 -0.34 0.00 0.00 42.92 39.81 3g0b s ASP 663 CO 0.37 -1.87 1.60 0.77 0.68 0.00 0.00 175.17 176.73 3g0b h SER 664 N -0.17 0.20 0.02 2.11 4.64 -0.99 -2.50 113.55 116.85 3g0b h SER 664 Ca -0.47 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 60.67 3g0b h SER 664 Cb 1.26 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3g0b h SER 664 CO 0.52 0.32 -0.01 0.58 -0.87 0.00 0.00 176.83 177.38 3g0b h VAL 665 N 0.06 1.01 0.31 0.95 2.07 -1.92 0.19 116.25 118.91 3g0b h VAL 665 Ca 0.05 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3g0b h VAL 665 Cb 0.19 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3g0b h VAL 665 CO -0.00 0.02 -0.15 0.22 0.02 0.00 0.00 177.57 177.68 3g0b h TYR 666 N -0.06 -0.38 0.01 1.57 3.20 -1.91 -3.06 116.97 116.34 3g0b h TYR 666 Ca -0.00 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.86 3g0b h TYR 666 Cb 0.05 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 3g0b h TYR 666 CO -0.07 -0.04 -0.04 1.15 -1.64 0.00 0.00 178.16 177.52 3g0b h THR 667 N -0.77 0.90 0.00 1.81 2.02 -1.28 -2.87 112.91 112.71 3g0b h THR 667 Ca -0.04 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.05 3g0b h THR 667 Cb 0.51 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3g0b h THR 667 CO 0.07 0.00 -0.44 -0.33 0.37 0.00 0.00 175.52 175.19 3g0b h GLU 668 N -0.07 0.00 -0.77 6.66 5.08 -0.76 0.17 114.58 124.89 3g0b h GLU 668 Ca 0.01 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.55 3g0b h GLU 668 Cb 0.09 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.21 3g0b h GLU 668 CO -0.03 0.44 0.09 -0.09 -1.00 0.00 0.00 179.01 178.42 3g0b h ARG 669 N 0.00 0.16 0.00 2.33 2.43 -1.39 -0.04 114.38 117.87 3g0b h ARG 669 Ca -0.00 -0.01 -0.30 0.00 -0.81 0.00 0.00 59.98 58.85 3g0b h ARG 669 Cb 0.81 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.27 3g0b h ARG 669 CO 0.06 0.11 -2.27 0.66 -1.51 0.00 0.00 179.97 177.02 3g0b n TYR 670 N -5.27 0.08 0.56 2.20 4.01 -1.04 -4.54 117.16 113.17 3g0b n TYR 670 Ca 0.15 0.03 0.07 0.00 -0.16 0.00 0.00 57.90 57.99 3g0b n TYR 670 Cb 0.51 -0.94 -0.09 0.00 -0.31 0.00 0.00 39.34 38.51 3g0b n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3g0b n MET 671 N -2.70 1.75 0.00 -0.72 2.81 0.57 0.14 117.12 118.97 3g0b n MET 671 Ca -0.27 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.59 3g0b n MET 671 Cb 1.06 -1.24 0.00 0.00 -0.71 0.00 0.00 33.22 32.33 3g0b n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g0b n GLY 672 N 1.41 0.49 3.88 3.03 0.00 -0.04 -4.67 105.19 109.28 3g0b n GLY 672 Ca 0.02 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 3g0b n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g0b s LEU 673 N 0.00 4.40 -1.42 0.99 1.02 -1.26 -4.25 118.68 118.15 3g0b s LEU 673 Ca 0.00 0.56 -0.09 0.00 0.02 0.00 0.00 54.13 54.62 3g0b s LEU 673 Cb 0.00 -2.32 -0.10 0.00 0.02 0.00 0.00 46.19 43.79 3g0b s LEU 673 CO 0.00 0.35 2.97 -0.81 0.02 0.00 0.00 176.35 178.88 3g0b n PRO 674 N 1.71 3.43 -4.33 1.29 -0.04 -1.26 -1.60 135.00 134.19 3g0b n PRO 674 Ca -0.17 -2.03 -0.25 0.00 -0.04 0.00 0.00 63.50 61.02 3g0b n PRO 674 Cb 0.54 -2.70 -0.12 0.00 -0.04 0.00 0.00 33.50 31.18 3g0b n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3g0b s THR 675 N 2.15 1.90 0.40 0.52 -4.23 -1.26 -4.57 115.64 110.55 3g0b s THR 675 Ca 0.67 -1.71 0.20 0.00 -1.18 0.00 0.00 61.69 59.67 3g0b s THR 675 Cb 0.19 -1.76 0.41 0.00 1.34 0.00 0.00 72.50 72.68 3g0b s THR 675 CO -0.05 -0.09 1.74 -0.65 -0.54 0.00 0.00 174.62 175.03 3g0b h PRO 676 N 3.77 0.33 -0.00 3.99 0.11 -1.96 0.51 132.00 138.75 3g0b h PRO 676 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3g0b h PRO 676 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3g0b h PRO 676 CO 0.43 0.22 -0.32 -0.85 -0.21 0.00 0.00 178.00 177.27 3g0b n GLU 677 N -4.65 0.45 0.00 1.05 0.00 -1.26 -4.72 120.64 111.51 3g0b n GLU 677 Ca 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 57.16 57.19 3g0b n GLU 677 Cb 0.97 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.92 3g0b n GLU 677 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3g0b n ASP 678 N -1.07 0.00 -0.57 -1.84 4.64 0.06 -5.04 116.55 112.74 3g0b n ASP 678 Ca 0.10 0.00 0.05 0.00 -1.38 0.00 0.00 54.79 53.56 3g0b n ASP 678 Cb 0.33 0.00 0.09 0.00 -1.04 0.00 0.00 41.12 40.51 3g0b n ASP 678 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 3g0b n ASN 679 N 0.00 1.30 -0.18 1.67 5.15 -0.63 -4.86 115.26 117.71 3g0b n ASN 679 Ca 0.00 -2.75 -0.00 0.00 -0.60 0.00 0.00 54.58 51.23 3g0b n ASN 679 Cb 0.00 -0.36 0.09 0.00 -0.53 0.00 0.00 39.78 38.98 3g0b n ASN 679 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3g0b h LEU 680 N 0.40 -0.12 -0.70 1.20 5.85 -1.35 -2.19 115.31 118.40 3g0b h LEU 680 Ca -0.04 0.12 0.14 0.00 0.84 0.00 0.00 57.88 58.94 3g0b h LEU 680 Cb 1.28 0.19 -0.10 0.00 0.37 0.00 0.00 40.66 42.41 3g0b h LEU 680 CO 0.02 -0.04 0.19 0.44 -0.34 0.00 0.00 178.44 178.71 3g0b h ASP 681 N 0.18 0.08 0.93 1.25 5.19 -1.89 -0.75 116.42 121.42 3g0b h ASP 681 Ca 0.29 0.12 -0.16 0.00 -0.62 0.00 0.00 57.03 56.66 3g0b h ASP 681 Cb 0.44 0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.08 3g0b h ASP 681 CO -0.43 0.02 -0.77 -0.74 -3.12 0.00 0.00 179.24 174.20 3g0b h HIS 682 N 0.31 0.00 -0.79 4.55 2.76 -1.83 -1.31 115.15 118.85 3g0b h HIS 682 Ca 0.38 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.61 3g0b h HIS 682 Cb 0.60 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.50 3g0b h HIS 682 CO -0.23 0.77 0.47 1.88 -1.30 0.00 0.00 177.93 179.52 3g0b h TYR 683 N 0.00 0.87 0.00 5.26 0.05 -0.64 -1.63 116.97 120.88 3g0b h TYR 683 Ca -0.01 0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.65 3g0b h TYR 683 Cb 1.45 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 38.89 3g0b h TYR 683 CO 0.00 0.42 -0.70 0.00 -1.05 0.00 0.00 178.16 176.83 3g0b h ARG 684 N 0.85 0.00 0.00 4.88 3.08 -0.94 -3.20 114.38 119.05 3g0b h ARG 684 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 3g0b h ARG 684 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3g0b h ARG 684 CO -0.18 0.70 0.00 -0.91 -1.07 0.00 0.00 179.97 178.51 3g0b h ASN 685 N 0.00 0.00 -0.51 7.04 -0.26 -0.97 -3.38 115.58 117.51 3g0b h ASN 685 Ca -0.01 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.56 3g0b h ASN 685 Cb 1.27 0.00 -0.10 0.00 -1.06 0.00 0.00 38.32 38.42 3g0b h ASN 685 CO 0.09 0.00 0.13 -1.54 -1.06 0.00 0.00 177.43 175.05 3g0b n SER 686 N -2.89 3.75 -4.88 5.81 3.41 -0.64 -5.00 113.62 113.18 3g0b n SER 686 Ca 0.04 -3.37 -0.32 0.00 -0.26 0.00 0.00 58.87 54.96 3g0b n SER 686 Cb 0.47 -0.66 -0.05 0.00 -0.26 0.00 0.00 64.21 63.70 3g0b n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3g0b s THR 687 N -3.06 5.01 0.20 6.66 -4.23 -1.26 -4.81 115.64 114.15 3g0b s THR 687 Ca 0.48 0.36 0.00 0.00 -1.18 0.00 0.00 61.69 61.36 3g0b s THR 687 Cb 0.41 -3.63 -0.08 0.00 1.34 0.00 0.00 72.50 70.54 3g0b s THR 687 CO 0.08 -0.00 1.48 -0.37 -0.54 0.00 0.00 174.62 175.27 3g0b h VAL 688 N 2.11 1.37 -0.96 2.29 -1.51 -1.37 -3.21 116.25 114.97 3g0b h VAL 688 Ca -0.47 -2.05 0.24 0.00 -1.23 0.00 0.00 66.70 63.20 3g0b h VAL 688 Cb 1.17 2.03 -0.13 0.00 -2.13 0.00 0.00 31.29 32.24 3g0b h VAL 688 CO 0.70 0.62 0.51 0.24 -1.23 0.00 0.00 177.57 178.41 3g0b h MET 689 N 0.27 0.47 0.00 5.19 2.86 -1.91 0.69 114.93 122.50 3g0b h MET 689 Ca -0.02 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3g0b h MET 689 Cb 1.22 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.77 3g0b h MET 689 CO 0.11 0.31 0.00 -1.13 1.06 0.00 0.00 176.91 177.26 3g0b n SER 690 N -4.97 0.46 -0.81 1.22 3.41 -1.21 -2.20 113.62 109.52 3g0b n SER 690 Ca 0.26 0.64 0.09 0.00 -0.26 0.00 0.00 58.87 59.59 3g0b n SER 690 Cb 0.73 -0.73 0.14 0.00 -0.26 0.00 0.00 64.21 64.09 3g0b n SER 690 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3g0b n ARG 691 N -2.04 1.97 -0.32 4.33 1.74 0.23 -4.74 116.66 117.82 3g0b n ARG 691 Ca 0.01 -1.86 0.20 0.00 -0.77 0.00 0.00 57.85 55.43 3g0b n ARG 691 Cb 0.15 -1.36 0.41 0.00 -1.02 0.00 0.00 32.46 30.64 3g0b n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g0b h ALA 692 N 3.26 1.69 -0.73 7.54 0.00 -1.36 -0.78 119.26 128.88 3g0b h ALA 692 Ca 0.00 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3g0b h ALA 692 Cb 0.77 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3g0b h ALA 692 CO 0.00 -0.56 0.45 1.49 0.00 0.00 0.00 179.25 180.63 3g0b h GLU 693 N 0.25 0.99 0.00 0.00 4.57 -1.85 -1.98 114.58 116.56 3g0b h GLU 693 Ca 0.67 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.77 3g0b h GLU 693 Cb 1.49 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 3g0b h GLU 693 CO -0.65 0.69 0.00 0.09 -1.18 0.00 0.00 179.01 177.96 3g0b n ASN 694 N -4.39 0.56 0.06 1.04 3.02 -0.30 -2.49 115.26 112.77 3g0b n ASN 694 Ca 0.08 0.63 0.09 0.00 -0.03 0.00 0.00 54.58 55.34 3g0b n ASN 694 Cb 0.06 -0.75 0.37 0.00 -0.61 0.00 0.00 39.78 38.85 3g0b n ASN 694 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3g0b n PHE 695 N -2.11 0.36 0.34 3.10 3.01 -0.74 -2.41 117.46 119.00 3g0b n PHE 695 Ca 0.03 0.15 0.21 0.00 1.01 0.00 0.00 57.45 58.85 3g0b n PHE 695 Cb 0.24 -0.74 1.14 0.00 -0.01 0.00 0.00 39.48 40.11 3g0b n PHE 695 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 3g0b h LYS 696 N 0.00 0.00 -0.00 -1.08 1.57 -1.66 -2.73 116.57 112.67 3g0b h LYS 696 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3g0b h LYS 696 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3g0b h LYS 696 CO 0.00 0.00 -0.45 1.04 -0.57 0.00 0.00 179.45 179.47 3g0b n GLN 697 N -3.09 0.47 -4.27 3.15 6.02 -1.01 -4.97 117.38 113.67 3g0b n GLN 697 Ca -0.03 -0.30 -0.15 0.00 -0.01 0.00 0.00 57.00 56.51 3g0b n GLN 697 Cb 0.13 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.79 3g0b n GLN 697 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3g0b s VAL 698 N -2.74 0.52 -0.21 5.09 -7.23 -1.03 -4.92 120.40 109.88 3g0b s VAL 698 Ca 0.17 -1.99 -0.06 0.00 -1.81 0.00 0.00 61.98 58.29 3g0b s VAL 698 Cb 0.18 -2.44 -0.03 0.00 0.56 0.00 0.00 36.38 34.66 3g0b s VAL 698 CO 0.63 -0.17 0.04 -1.61 -0.31 0.00 0.00 175.10 173.68 3g0b s GLU 699 N -4.01 3.72 -0.07 4.82 2.02 -0.55 -4.98 118.70 119.65 3g0b s GLU 699 Ca 0.33 -0.46 0.05 0.00 0.02 0.00 0.00 54.97 54.91 3g0b s GLU 699 Cb 0.07 -3.19 -0.01 0.00 0.10 0.00 0.00 34.13 31.11 3g0b s GLU 699 CO 0.10 0.02 -0.23 -0.47 0.02 0.00 0.00 175.26 174.69 3g0b s TYR 700 N 1.03 2.33 -0.18 1.61 5.04 -1.26 -1.34 117.35 124.58 3g0b s TYR 700 Ca 0.03 -0.76 -0.02 0.00 -2.44 0.00 0.00 57.07 53.89 3g0b s TYR 700 Cb -0.14 -1.54 -0.00 0.00 0.35 0.00 0.00 41.96 40.62 3g0b s TYR 700 CO 0.02 -0.26 -0.11 -1.17 -1.34 0.00 0.00 175.55 172.70 3g0b s LEU 701 N 0.01 2.65 -0.21 6.97 2.96 -0.30 0.27 118.68 131.03 3g0b s LEU 701 Ca -0.07 -0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 53.35 3g0b s LEU 701 Cb -0.14 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 3g0b s LEU 701 CO 0.05 0.04 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.87 3g0b s LEU 702 N 1.11 3.05 -0.02 -0.68 2.96 0.27 -1.12 118.68 124.25 3g0b s LEU 702 Ca 0.01 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 53.66 3g0b s LEU 702 Cb -0.14 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 3g0b s LEU 702 CO -0.03 0.03 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.25 3g0b s ILE 703 N 1.21 1.21 -0.27 6.68 1.01 -0.20 -1.25 121.20 129.58 3g0b s ILE 703 Ca 0.03 -0.64 -0.20 0.00 0.00 0.00 0.00 60.65 59.84 3g0b s ILE 703 Cb -0.14 -1.02 0.07 0.00 0.01 0.00 0.00 42.46 41.38 3g0b s ILE 703 CO -0.00 0.35 0.70 -2.28 0.00 0.00 0.00 174.94 173.70 3g0b s HIS 704 N -0.23 -0.92 0.17 3.97 2.46 -0.55 0.02 115.29 120.21 3g0b s HIS 704 Ca 0.03 2.01 -0.30 0.00 0.47 0.00 0.00 55.06 57.28 3g0b s HIS 704 Cb -0.07 0.44 -0.07 0.00 -0.13 0.00 0.00 32.58 32.75 3g0b s HIS 704 CO -0.00 -0.45 1.08 0.20 -2.47 0.00 0.00 174.74 173.10 3g0b s GLY 705 N 0.99 2.87 0.43 1.59 0.00 -1.26 -0.46 107.32 111.48 3g0b s GLY 705 Ca -0.05 0.79 0.24 0.00 0.00 0.00 0.00 44.72 45.70 3g0b s GLY 705 CO -0.09 1.62 1.76 -0.91 0.00 0.00 0.00 173.10 175.48 3g0b h THR 706 N 3.73 0.41 -0.77 0.90 1.35 -0.71 -3.10 112.91 114.71 3g0b h THR 706 Ca -0.44 -1.17 -0.43 0.00 -0.55 0.00 0.00 66.41 63.81 3g0b h THR 706 Cb 1.21 1.87 -0.25 0.00 -1.73 0.00 0.00 68.15 69.25 3g0b h THR 706 CO 0.72 0.19 0.37 0.00 -0.25 0.00 0.00 175.52 176.55 3g0b n ALA 707 N -2.18 5.27 -2.35 6.62 0.00 -0.16 -4.67 120.51 123.05 3g0b n ALA 707 Ca 0.01 -3.12 -0.43 0.00 0.00 0.00 0.00 53.44 49.90 3g0b n ALA 707 Cb 0.47 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 3g0b n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3g0b s ASP 708 N -1.92 6.33 0.02 0.00 3.68 -1.14 -4.23 116.67 119.41 3g0b s ASP 708 Ca 0.54 0.80 0.28 0.00 2.13 0.00 0.00 52.55 56.30 3g0b s ASP 708 Cb 0.46 -2.54 0.97 0.00 -1.45 0.00 0.00 42.92 40.36 3g0b s ASP 708 CO 0.05 -1.45 1.76 -0.90 0.13 0.00 0.00 175.17 174.76 3g0b n ASP 709 N 8.86 0.23 0.00 -0.34 5.75 -1.26 -3.99 116.55 125.80 3g0b n ASP 709 Ca 0.16 0.29 0.00 0.00 -0.01 0.00 0.00 54.79 55.24 3g0b n ASP 709 Cb 0.48 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 3g0b n ASP 709 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3g0b n ASN 710 N -1.59 0.00 -4.46 -1.12 4.05 -1.26 -4.78 115.26 106.11 3g0b n ASN 710 Ca 0.06 0.00 -0.43 0.00 0.45 0.00 0.00 54.58 54.66 3g0b n ASN 710 Cb 0.35 -0.37 -0.08 0.00 1.23 0.00 0.00 39.78 40.91 3g0b n ASN 710 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3g0b s VAL 711 N -0.77 5.08 0.36 3.44 1.01 -1.26 -4.80 120.40 123.46 3g0b s VAL 711 Ca 0.00 -0.51 -0.27 0.00 0.00 0.00 0.00 61.98 61.20 3g0b s VAL 711 Cb 0.00 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 3g0b s VAL 711 CO 0.00 -0.51 1.23 -1.00 0.00 0.00 0.00 175.10 174.82 3g0b s HIS 712 N 2.12 3.08 0.34 5.22 3.76 -1.26 -4.65 115.29 123.90 3g0b s HIS 712 Ca 0.11 1.50 0.14 0.00 -0.15 0.00 0.00 55.06 56.66 3g0b s HIS 712 Cb -0.19 -3.53 1.04 0.00 1.11 0.00 0.00 32.58 31.02 3g0b s HIS 712 CO 0.12 -1.55 1.69 0.35 -0.85 0.00 0.00 174.74 174.50 3g0b h PHE 713 N 3.04 0.94 -0.46 1.40 3.57 -1.78 0.35 116.94 124.00 3g0b h PHE 713 Ca -0.49 0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.17 3g0b h PHE 713 Cb 1.23 -0.25 -0.09 0.00 2.79 0.00 0.00 35.95 39.63 3g0b h PHE 713 CO 0.55 -0.10 -0.00 0.94 -2.23 0.00 0.00 178.31 177.47 3g0b n GLN 714 N -4.98 -0.04 -0.14 1.11 7.27 -1.26 -0.85 117.38 118.49 3g0b n GLN 714 Ca 0.30 0.70 -0.08 0.00 0.07 0.00 0.00 57.00 57.99 3g0b n GLN 714 Cb 0.92 -1.10 0.01 0.00 2.41 0.00 0.00 30.24 32.48 3g0b n GLN 714 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 3g0b h GLN 715 N 0.00 0.58 0.01 3.69 4.20 -1.23 0.70 115.11 123.06 3g0b h GLN 715 Ca 0.28 -0.04 -0.19 0.00 0.06 0.00 0.00 58.65 58.75 3g0b h GLN 715 Cb 0.55 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3g0b h GLN 715 CO -0.44 0.40 -0.88 0.77 -0.67 0.00 0.00 178.83 178.01 3g0b h SER 716 N 0.60 0.19 -0.02 1.46 0.02 -1.15 -2.91 113.55 111.74 3g0b h SER 716 Ca 0.16 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 3g0b h SER 716 Cb -0.06 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3g0b h SER 716 CO -0.03 0.97 -0.11 0.00 -1.14 0.00 0.00 176.83 176.52 3g0b h ALA 717 N 1.01 1.49 0.00 3.77 0.00 -0.58 -0.61 119.26 124.36 3g0b h ALA 717 Ca -0.04 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.46 3g0b h ALA 717 Cb 1.52 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3g0b h ALA 717 CO 0.13 0.36 -0.91 1.96 0.00 0.00 0.00 179.25 180.79 3g0b h GLN 718 N 0.26 0.28 -0.09 0.00 1.08 -0.85 -2.57 115.11 113.23 3g0b h GLN 718 Ca 0.05 -0.31 -0.01 0.00 -1.45 0.00 0.00 58.65 56.94 3g0b h GLN 718 Cb 0.36 0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.88 3g0b h GLN 718 CO 0.02 1.02 0.03 0.82 -0.95 0.00 0.00 178.83 179.77 3g0b h ILE 719 N 0.16 1.16 -0.74 2.54 2.04 -1.24 -2.29 117.51 119.13 3g0b h ILE 719 Ca -0.06 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 3g0b h ILE 719 Cb 1.54 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.91 3g0b h ILE 719 CO 0.15 0.14 0.22 0.77 0.00 0.00 0.00 178.15 179.43 3g0b h SER 720 N -0.03 1.09 -0.49 1.72 4.64 -1.15 -0.97 113.55 118.36 3g0b h SER 720 Ca 0.03 -0.22 -0.02 0.00 -0.47 0.00 0.00 61.79 61.12 3g0b h SER 720 Cb 0.20 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 3g0b h SER 720 CO -0.00 1.02 0.24 0.50 -0.87 0.00 0.00 176.83 177.72 3g0b h LYS 721 N 1.11 0.70 -0.43 4.77 3.64 -1.47 -0.24 116.57 124.65 3g0b h LYS 721 Ca 0.24 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 3g0b h LYS 721 Cb 0.33 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3g0b h LYS 721 CO -0.00 0.58 0.07 0.00 -2.27 0.00 0.00 179.45 177.82 3g0b h ALA 722 N 1.08 1.31 -0.06 5.00 0.00 -0.99 -0.49 119.26 125.11 3g0b h ALA 722 Ca 0.17 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 3g0b h ALA 722 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3g0b h ALA 722 CO -0.02 0.48 -0.68 -0.07 0.00 0.00 0.00 179.25 178.95 3g0b h LEU 723 N 0.63 0.33 -0.32 0.00 3.38 -0.67 -2.93 115.31 115.73 3g0b h LEU 723 Ca 0.14 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3g0b h LEU 723 Cb 0.30 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3g0b h LEU 723 CO 0.00 0.91 -0.04 0.58 0.09 0.00 0.00 178.44 179.99 3g0b h VAL 724 N 0.20 1.27 0.00 1.22 2.07 -0.80 0.14 116.25 120.34 3g0b h VAL 724 Ca -0.02 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 3g0b h VAL 724 Cb 1.23 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 3g0b h VAL 724 CO 0.11 0.34 -0.07 0.44 0.02 0.00 0.00 177.57 178.41 3g0b h ASP 725 N 0.38 0.00 -0.54 0.57 3.45 -1.00 -1.62 116.42 117.65 3g0b h ASP 725 Ca 0.09 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.55 3g0b h ASP 725 Cb 0.50 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.27 3g0b h ASP 725 CO 0.02 0.07 0.00 1.33 -1.57 0.00 0.00 179.24 179.09 3g0b n VAL 726 N -4.25 0.79 -2.61 -1.35 0.24 -1.12 -4.98 118.33 105.06 3g0b n VAL 726 Ca -0.03 -0.90 -0.08 0.00 -2.04 0.00 0.00 64.34 61.30 3g0b n VAL 726 Cb 0.15 0.70 0.02 0.00 -1.47 0.00 0.00 33.84 33.23 3g0b n VAL 726 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3g0b n GLY 727 N 1.41 0.31 3.62 7.63 0.00 -0.61 -4.99 105.19 112.57 3g0b n GLY 727 Ca 0.20 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 3g0b n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g0b s VAL 728 N -2.84 5.19 0.05 1.61 1.01 0.44 -5.03 120.40 120.83 3g0b s VAL 728 Ca 0.13 0.58 -0.28 0.00 0.00 0.00 0.00 61.98 62.41 3g0b s VAL 728 Cb -0.06 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 3g0b s VAL 728 CO 0.16 0.18 0.88 -0.62 0.00 0.00 0.00 175.10 175.71 3g0b s ASP 729 N 1.49 7.33 0.34 3.32 3.68 -1.26 -4.45 116.67 127.12 3g0b s ASP 729 Ca 0.15 1.60 -0.03 0.00 2.13 0.00 0.00 52.55 56.40 3g0b s ASP 729 Cb -0.15 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 38.79 3g0b s ASP 729 CO 0.09 -0.09 0.48 0.72 0.13 0.00 0.00 175.17 176.50 3g0b s PHE 730 N 0.28 1.01 0.04 -5.34 -0.12 -1.26 -4.75 117.98 107.83 3g0b s PHE 730 Ca 0.45 -1.26 0.05 0.00 -0.05 0.00 0.00 56.93 56.12 3g0b s PHE 730 Cb -0.21 -0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.09 3g0b s PHE 730 CO 0.26 -1.13 -0.10 -0.65 -0.05 0.00 0.00 175.22 173.55 3g0b s GLN 731 N -3.10 2.36 0.07 1.99 -1.52 0.14 -5.00 119.66 114.60 3g0b s GLN 731 Ca 0.30 -0.85 -0.04 0.00 -1.95 0.00 0.00 55.36 52.82 3g0b s GLN 731 Cb -0.00 -2.39 -0.03 0.00 -0.22 0.00 0.00 33.01 30.37 3g0b s GLN 731 CO 0.19 0.57 0.06 0.00 -0.25 0.00 0.00 175.29 175.86 3g0b s ALA 732 N -1.04 0.28 -0.26 6.09 0.00 -1.26 -0.56 121.76 125.01 3g0b s ALA 732 Ca 0.18 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 51.01 3g0b s ALA 732 Cb -0.11 0.40 0.10 0.00 0.00 0.00 0.00 23.12 23.52 3g0b s ALA 732 CO 0.09 -0.43 0.57 1.41 0.00 0.00 0.00 175.76 177.40 3g0b s MET 733 N -3.91 0.52 0.12 0.00 1.75 -0.38 -4.91 119.30 112.49 3g0b s MET 733 Ca 0.08 1.24 -0.06 0.00 -1.25 0.00 0.00 55.69 55.69 3g0b s MET 733 Cb 0.07 0.50 -0.06 0.00 2.84 0.00 0.00 34.83 38.18 3g0b s MET 733 CO -0.09 -0.20 0.38 1.67 -0.65 0.00 0.00 175.02 176.13 3g0b s TRP 734 N 2.42 3.51 -0.31 4.11 -2.14 -1.26 -1.48 118.94 123.79 3g0b s TRP 734 Ca -0.06 0.62 0.00 0.00 2.66 0.00 0.00 56.10 59.32 3g0b s TRP 734 Cb -0.10 -2.05 0.07 0.00 -3.10 0.00 0.00 33.47 28.29 3g0b s TRP 734 CO -0.17 0.47 -0.00 0.71 -2.66 0.00 0.00 176.95 175.29 3g0b s TYR 735 N -1.57 3.37 0.02 1.66 2.02 0.39 -4.91 117.35 118.32 3g0b s TYR 735 Ca 0.38 -2.22 -0.32 0.00 -0.37 0.00 0.00 57.07 54.54 3g0b s TYR 735 Cb -0.13 -2.29 -0.11 0.00 -0.40 0.00 0.00 41.96 39.04 3g0b s TYR 735 CO 0.22 -0.86 1.86 2.41 -1.57 0.00 0.00 175.55 177.61 3g0b n THR 736 N 4.51 0.52 -0.84 -0.71 -1.04 -1.26 -0.54 114.28 114.93 3g0b n THR 736 Ca -0.10 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 3g0b n THR 736 Cb 0.43 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 66.93 3g0b n THR 736 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3g0b n ASP 737 N 6.30 -1.36 -4.83 8.00 10.43 -1.26 -4.85 116.55 128.97 3g0b n ASP 737 Ca 0.20 0.00 -0.33 0.00 2.57 0.00 0.00 54.79 57.24 3g0b n ASP 737 Cb 0.34 -1.41 -0.06 0.00 1.84 0.00 0.00 41.12 41.82 3g0b n ASP 737 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3g0b s GLU 738 N -0.62 4.11 0.00 -1.24 0.41 -1.05 -4.58 118.70 115.74 3g0b s GLU 738 Ca 0.00 0.92 0.00 0.00 -0.41 0.00 0.00 54.97 55.48 3g0b s GLU 738 Cb 0.00 -2.28 0.00 0.00 -1.78 0.00 0.00 34.13 30.07 3g0b s GLU 738 CO 0.00 0.03 0.00 -0.40 -0.49 0.00 0.00 175.26 174.40 3g0b n ASP 739 N -0.60 0.57 0.10 -0.19 3.85 -1.26 -0.98 116.55 118.03 3g0b n ASP 739 Ca 0.05 -0.25 0.18 0.00 -0.71 0.00 0.00 54.79 54.06 3g0b n ASP 739 Cb 0.54 0.00 0.73 0.00 -1.35 0.00 0.00 41.12 41.03 3g0b n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.01 0.00 0.00 177.20 175.45 3g0b h HIS 740 N 0.07 0.00 0.00 2.11 -0.00 -1.91 -1.45 115.15 113.97 3g0b h HIS 740 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 3g0b h HIS 740 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.41 3g0b h HIS 740 CO 0.00 0.00 -0.31 0.78 -0.00 0.00 0.00 177.93 178.40 3g0b h GLY 741 N 0.00 0.00 -6.92 5.26 0.00 -1.99 -3.48 103.07 95.94 3g0b h GLY 741 Ca 0.16 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.90 3g0b h GLY 741 CO -0.00 0.00 -0.99 1.39 0.00 0.00 0.00 176.54 176.94 3g0b n ILE 742 N -3.02 -2.41 0.39 2.60 5.41 -0.54 -4.87 119.36 116.91 3g0b n ILE 742 Ca 0.03 -0.59 0.05 0.00 1.00 0.00 0.00 62.75 63.23 3g0b n ILE 742 Cb 0.57 -2.05 0.03 0.00 -0.71 0.00 0.00 39.64 37.48 3g0b n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g0b n ALA 743 N -4.84 2.53 -1.63 -1.39 0.00 -1.26 -3.22 120.51 110.69 3g0b n ALA 743 Ca -0.19 -0.55 -0.42 0.00 0.00 0.00 0.00 53.44 52.29 3g0b n ALA 743 Cb 0.61 -0.32 0.01 0.00 0.00 0.00 0.00 19.45 19.75 3g0b n ALA 743 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3g0b n SER 744 N 0.41 1.56 -0.23 0.00 7.64 -1.26 -4.68 113.62 117.06 3g0b n SER 744 Ca 0.05 1.07 0.03 0.00 1.01 0.00 0.00 58.87 61.03 3g0b n SER 744 Cb 0.23 -1.38 0.14 0.00 -1.01 0.00 0.00 64.21 62.19 3g0b n SER 744 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 3g0b h SER 745 N 1.72 -0.11 -0.13 6.43 0.87 -1.99 0.44 113.55 120.78 3g0b h SER 745 Ca -0.45 0.15 -0.21 0.00 -1.23 0.00 0.00 61.79 60.05 3g0b h SER 745 Cb 1.33 0.23 0.01 0.00 -0.44 0.00 0.00 62.40 63.53 3g0b h SER 745 CO 0.58 -0.07 -0.74 0.71 -0.53 0.00 0.00 176.83 176.78 3g0b h THR 746 N 0.20 1.30 -0.38 2.23 1.35 -1.97 -2.43 112.91 113.21 3g0b h THR 746 Ca 0.37 -1.96 -0.10 0.00 -0.55 0.00 0.00 66.41 64.17 3g0b h THR 746 Cb 0.62 2.06 -0.01 0.00 -1.73 0.00 0.00 68.15 69.09 3g0b h THR 746 CO -0.51 0.61 -0.15 0.00 -0.25 0.00 0.00 175.52 175.22 3g0b h ALA 747 N 0.52 0.53 -0.56 6.62 0.00 -1.71 -1.00 119.26 123.66 3g0b h ALA 747 Ca -0.05 -0.34 0.10 0.00 0.00 0.00 0.00 54.91 54.61 3g0b h ALA 747 Cb 1.37 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 3g0b h ALA 747 CO 0.15 0.44 0.13 1.25 0.00 0.00 0.00 179.25 181.22 3g0b h HIS 748 N 0.57 0.20 -0.36 0.00 2.76 -0.11 0.56 115.15 118.78 3g0b h HIS 748 Ca 0.09 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.15 3g0b h HIS 748 Cb 0.69 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.63 3g0b h HIS 748 CO 0.06 -0.01 -0.32 1.96 -1.30 0.00 0.00 177.93 178.31 3g0b h GLN 749 N 0.27 0.80 -0.37 5.26 4.20 -1.24 -3.03 115.11 120.99 3g0b h GLN 749 Ca 0.29 -0.38 -0.10 0.00 0.06 0.00 0.00 58.65 58.52 3g0b h GLN 749 Cb 0.41 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3g0b h GLN 749 CO -0.36 1.01 -0.15 1.25 -0.67 0.00 0.00 178.83 179.90 3g0b h HIS 750 N 0.68 0.87 -0.07 2.96 2.76 -0.61 -2.04 115.15 119.70 3g0b h HIS 750 Ca 0.07 -0.21 -0.00 0.00 -2.20 0.00 0.00 60.37 58.03 3g0b h HIS 750 Cb 0.87 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.62 3g0b h HIS 750 CO 0.05 0.93 0.03 0.97 -1.30 0.00 0.00 177.93 178.61 3g0b h ILE 751 N 0.55 1.14 -0.55 6.26 2.10 -0.91 -0.64 117.51 125.46 3g0b h ILE 751 Ca 0.09 -0.42 -0.06 0.00 1.08 0.00 0.00 64.86 65.54 3g0b h ILE 751 Cb 0.69 1.30 -0.02 0.00 -1.09 0.00 0.00 36.82 37.70 3g0b h ILE 751 CO 0.05 0.12 0.09 1.88 -1.08 0.00 0.00 178.15 179.21 3g0b h TYR 752 N -0.05 0.92 -0.67 2.19 -1.99 -1.55 0.22 116.97 116.04 3g0b h TYR 752 Ca 0.02 -0.11 -0.01 0.00 2.00 0.00 0.00 58.73 60.63 3g0b h TYR 752 Cb 0.17 -0.26 -0.03 0.00 2.00 0.00 0.00 36.73 38.60 3g0b h TYR 752 CO -0.02 0.79 0.37 1.15 -0.00 0.00 0.00 178.16 180.45 3g0b h THR 753 N 0.84 1.21 -0.13 -2.88 2.02 -1.29 -0.89 112.91 111.78 3g0b h THR 753 Ca 0.17 -0.52 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 3g0b h THR 753 Cb 0.37 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3g0b h THR 753 CO 0.01 0.23 -0.10 -0.74 0.37 0.00 0.00 175.52 175.28 3g0b h HIS 754 N 0.91 0.35 -0.72 3.16 -0.00 -0.20 -2.18 115.15 116.47 3g0b h HIS 754 Ca 0.24 -0.10 0.01 0.00 -0.00 0.00 0.00 60.37 60.52 3g0b h HIS 754 Cb 0.03 -0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 27.33 3g0b h HIS 754 CO -0.01 0.68 0.48 0.52 -0.00 0.00 0.00 177.93 179.60 3g0b h MET 755 N -0.07 0.94 -0.41 5.26 2.07 -0.60 -2.23 114.93 119.89 3g0b h MET 755 Ca 0.02 -0.06 -0.05 0.00 -2.07 0.00 0.00 59.70 57.55 3g0b h MET 755 Cb 0.61 -0.21 -0.02 0.00 -1.87 0.00 0.00 31.60 30.11 3g0b h MET 755 CO 0.03 0.62 0.07 0.77 1.07 0.00 0.00 176.91 179.47 3g0b h SER 756 N 0.97 0.64 -0.64 1.22 0.02 -1.00 0.28 113.55 115.04 3g0b h SER 756 Ca 0.27 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3g0b h SER 756 Cb -0.10 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 3g0b h SER 756 CO -0.06 0.74 0.31 0.45 -1.14 0.00 0.00 176.83 177.13 3g0b h HIS 757 N 0.53 0.93 0.08 3.45 3.86 -1.20 -0.57 115.15 122.22 3g0b h HIS 757 Ca 0.12 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3g0b h HIS 757 Cb 0.36 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.55 3g0b h HIS 757 CO 0.02 0.69 -0.04 0.35 0.86 0.00 0.00 177.93 179.82 3g0b h PHE 758 N 0.89 -0.10 -0.33 2.45 3.57 -1.10 0.24 116.94 122.56 3g0b h PHE 758 Ca 0.22 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.73 3g0b h PHE 758 Cb 0.11 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 3g0b h PHE 758 CO 0.00 -0.01 0.21 0.82 -2.23 0.00 0.00 178.31 177.09 3g0b h ILE 759 N -0.16 1.06 -0.82 1.41 1.08 -0.87 -0.10 117.51 119.11 3g0b h ILE 759 Ca -0.01 -0.14 0.02 0.00 -0.39 0.00 0.00 64.86 64.33 3g0b h ILE 759 Cb 0.13 0.61 -0.04 0.00 -3.07 0.00 0.00 36.82 34.45 3g0b h ILE 759 CO 0.02 0.08 0.54 0.11 -0.69 0.00 0.00 178.15 178.20 3g0b h LYS 760 N 0.42 1.05 -0.42 2.37 1.57 -0.98 0.16 116.57 120.74 3g0b h LYS 760 Ca 0.12 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 3g0b h LYS 760 Cb -0.03 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 3g0b h LYS 760 CO -0.04 0.70 -0.06 0.37 -0.57 0.00 0.00 179.45 179.84 3g0b h GLN 761 N 1.09 0.79 -0.92 3.15 4.15 -0.76 0.36 115.11 122.96 3g0b h GLN 761 Ca 0.31 -0.29 0.07 0.00 0.77 0.00 0.00 58.65 59.52 3g0b h GLN 761 Cb -0.08 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.49 3g0b h GLN 761 CO -0.08 0.90 0.60 0.00 -1.93 0.00 0.00 178.83 178.31 3g0b n PHE 763 N -4.50 0.25 -3.75 0.00 3.72 0.01 -4.94 117.46 108.25 3g0b n PHE 763 Ca 0.14 -0.13 -0.25 0.00 -0.05 0.00 0.00 57.45 57.17 3g0b n PHE 763 Cb 0.22 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.80 3g0b n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3g0b n SER 764 N 0.57 -3.42 -4.53 4.37 7.64 -0.65 -4.99 113.62 112.62 3g0b n SER 764 Ca 0.17 -0.75 -0.39 0.00 1.01 0.00 0.00 58.87 58.91 3g0b n SER 764 Cb 0.39 -4.23 -0.11 0.00 -1.01 0.00 0.00 64.21 59.25 3g0b n SER 764 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3g0b s LEU 765 N -6.98 4.16 0.00 -3.43 1.43 0.12 -5.03 118.68 108.96 3g0b s LEU 765 Ca 0.34 -0.26 0.11 0.00 -1.03 0.00 0.00 54.13 53.30 3g0b s LEU 765 Cb -0.17 -2.09 0.68 0.00 0.03 0.00 0.00 46.19 44.65 3g0b s LEU 765 CO 0.80 -0.14 1.12 -0.81 0.23 0.00 0.00 176.35 177.55