#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i03 n ARG 40 N 0.00 0.18 -1.95 4.33 -4.01 -1.26 -5.02 116.66 108.92 2i03 n ARG 40 Ca 0.00 0.00 -0.30 0.00 -1.04 0.00 0.00 57.85 56.51 2i03 n ARG 40 Cb 0.00 0.00 0.19 0.00 -3.04 0.00 0.00 32.46 29.61 2i03 n ARG 40 CO 0.00 0.00 0.00 -1.59 -3.04 0.00 0.00 177.63 173.00 2i03 s LYS 41 N -0.87 0.65 0.51 2.89 0.00 -1.25 -4.74 119.74 116.93 2i03 s LYS 41 Ca 0.00 -0.44 0.05 0.00 0.00 0.00 0.00 55.97 55.58 2i03 s LYS 41 Cb 0.00 -1.86 0.01 0.00 0.00 0.00 0.00 37.83 35.98 2i03 s LYS 41 CO 0.00 -2.40 0.28 0.95 0.00 0.00 0.00 175.35 174.18 2i03 s THR 42 N -3.87 1.68 -0.62 3.79 -4.23 -1.26 -0.43 115.64 110.70 2i03 s THR 42 Ca 0.74 -1.63 -0.23 0.00 -1.18 0.00 0.00 61.69 59.40 2i03 s THR 42 Cb -0.04 -2.31 0.06 0.00 1.34 0.00 0.00 72.50 71.55 2i03 s THR 42 CO 0.53 0.00 0.94 -0.47 -0.54 0.00 0.00 174.62 175.08 2i03 s TYR 43 N -2.76 2.72 0.87 3.99 5.04 -1.26 -4.83 117.35 121.13 2i03 s TYR 43 Ca 0.29 -0.42 -0.13 0.00 -2.44 0.00 0.00 57.07 54.37 2i03 s TYR 43 Cb -0.00 -4.20 0.13 0.00 0.35 0.00 0.00 41.96 38.24 2i03 s TYR 43 CO 0.18 -1.54 1.23 0.95 -1.34 0.00 0.00 175.55 175.03 2i03 s THR 44 N 3.96 2.01 0.26 4.34 -4.23 -1.26 -4.08 115.64 116.63 2i03 s THR 44 Ca 0.24 -0.01 -0.01 0.00 -1.18 0.00 0.00 61.69 60.73 2i03 s THR 44 Cb -0.16 -3.00 0.08 0.00 1.34 0.00 0.00 72.50 70.76 2i03 s THR 44 CO 0.12 0.00 1.72 0.25 -0.54 0.00 0.00 174.62 176.17 2i03 h LEU 45 N -1.28 0.67 -1.00 4.79 5.85 -1.95 -2.62 115.31 119.76 2i03 h LEU 45 Ca -0.45 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 57.97 2i03 h LEU 45 Cb 1.29 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 2i03 h LEU 45 CO 0.54 0.83 -0.35 0.74 -0.34 0.00 0.00 178.44 179.86 2i03 h THR 46 N 0.61 1.28 -0.56 1.05 2.02 -1.98 0.75 112.91 116.08 2i03 h THR 46 Ca 0.10 -1.38 -0.03 0.00 0.77 0.00 0.00 66.41 65.87 2i03 h THR 46 Cb 0.59 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 2i03 h THR 46 CO 0.04 0.42 0.24 0.44 0.37 0.00 0.00 175.52 177.02 2i03 h ASP 47 N 0.24 0.77 -0.09 4.18 3.32 -1.84 0.19 116.42 123.18 2i03 h ASP 47 Ca 0.03 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 2i03 h ASP 47 Cb 0.74 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 2i03 h ASP 47 CO 0.06 0.72 -0.01 0.22 -1.72 0.00 0.00 179.24 178.50 2i03 h TYR 48 N 0.77 0.18 -0.49 4.55 3.20 -1.23 0.14 116.97 124.10 2i03 h TYR 48 Ca 0.19 -0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.90 2i03 h TYR 48 Cb 0.18 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 2i03 h TYR 48 CO 0.01 0.45 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.71 2i03 h LEU 49 N -0.14 1.00 -0.56 2.82 3.38 -0.75 -3.01 115.31 118.04 2i03 h LEU 49 Ca 0.02 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2i03 h LEU 49 Cb 0.39 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2i03 h LEU 49 CO 0.01 1.16 -0.21 0.29 0.09 0.00 0.00 178.44 179.77 2i03 n LYS 50 N -4.12 0.97 -3.63 1.13 4.76 0.64 -4.97 118.16 112.94 2i03 n LYS 50 Ca 0.00 -0.56 -0.21 0.00 -2.87 0.00 0.00 58.31 54.67 2i03 n LYS 50 Cb 0.45 -1.49 0.04 0.00 -1.84 0.00 0.00 35.03 32.19 2i03 n LYS 50 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2i03 n ASN 51 N -0.53 -2.00 0.15 4.39 4.05 0.43 -4.90 115.26 116.85 2i03 n ASN 51 Ca 0.13 -0.81 0.01 0.00 0.45 0.00 0.00 54.58 54.36 2i03 n ASN 51 Cb 0.35 -4.21 0.24 0.00 1.23 0.00 0.00 39.78 37.39 2i03 n ASN 51 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 2i03 h THR 52 N -1.81 1.33 -3.47 -0.44 1.35 -1.63 -3.37 112.91 104.87 2i03 h THR 52 Ca -0.61 -1.85 -0.74 0.00 -0.55 0.00 0.00 66.41 62.66 2i03 h THR 52 Cb 1.35 2.01 -0.29 0.00 -1.73 0.00 0.00 68.15 69.49 2i03 h THR 52 CO 0.54 0.52 -0.25 -0.31 -0.25 0.00 0.00 175.52 175.77 2i03 s TYR 53 N -3.74 3.49 -0.03 4.73 2.02 -1.26 -5.07 117.35 117.49 2i03 s TYR 53 Ca -0.01 -2.05 -0.15 0.00 -0.37 0.00 0.00 57.07 54.48 2i03 s TYR 53 Cb 0.13 -3.54 -0.05 0.00 -0.40 0.00 0.00 41.96 38.10 2i03 s TYR 53 CO 0.74 -0.96 0.40 0.50 -1.57 0.00 0.00 175.55 174.66 2i03 s ARG 54 N 0.75 3.99 0.03 -0.62 6.06 -1.26 -5.08 118.95 122.81 2i03 s ARG 54 Ca 0.11 0.37 -0.21 0.00 -2.50 0.00 0.00 55.73 53.51 2i03 s ARG 54 Cb -0.21 -3.27 -0.06 0.00 0.06 0.00 0.00 34.95 31.47 2i03 s ARG 54 CO -0.03 0.58 0.62 -0.51 -2.50 0.00 0.00 175.30 173.46 2i03 s LEU 55 N -0.71 4.45 0.10 -0.88 1.43 -1.26 -4.75 118.68 117.06 2i03 s LEU 55 Ca 0.23 1.24 -0.13 0.00 -1.03 0.00 0.00 54.13 54.44 2i03 s LEU 55 Cb -0.16 -2.97 -0.06 0.00 0.03 0.00 0.00 46.19 43.03 2i03 s LEU 55 CO 0.12 0.13 0.47 -0.54 0.23 0.00 0.00 176.35 176.76 2i03 s LYS 56 N -0.41 3.88 0.45 1.70 1.02 -1.26 -5.09 119.74 120.02 2i03 s LYS 56 Ca 0.32 0.35 0.00 0.00 0.02 0.00 0.00 55.97 56.66 2i03 s LYS 56 Cb -0.19 -3.00 -0.00 0.00 -0.52 0.00 0.00 37.83 34.12 2i03 s LYS 56 CO 0.19 0.54 0.01 1.28 -0.92 0.00 0.00 175.35 176.45 2i03 n LEU 57 N 0.97 0.00 -3.08 3.17 4.77 -1.26 -4.88 117.00 116.69 2i03 n LEU 57 Ca -0.07 -2.84 -0.17 0.00 -0.03 0.00 0.00 56.01 52.89 2i03 n LEU 57 Cb 0.52 0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 41.94 2i03 n LEU 57 CO 0.42 -0.41 -0.11 0.00 -1.33 0.00 0.00 177.39 175.96 2i03 n TYR 58 N -1.10 -2.01 -2.89 -1.77 4.19 -1.26 -4.98 117.16 107.34 2i03 n TYR 58 Ca -0.18 -2.57 -0.43 0.00 3.31 0.00 0.00 57.90 58.03 2i03 n TYR 58 Cb 0.57 0.68 -0.05 0.00 0.49 0.00 0.00 39.34 41.04 2i03 n TYR 58 CO 0.00 0.00 0.00 -1.12 0.91 0.00 0.00 176.86 176.65 2i03 s SER 59 N -0.23 6.45 0.14 2.98 0.01 -1.26 -5.03 113.70 116.76 2i03 s SER 59 Ca 0.32 -0.03 0.08 0.00 1.31 0.00 0.00 55.95 57.64 2i03 s SER 59 Cb 0.08 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 2i03 s SER 59 CO -0.15 -1.00 -0.10 -1.48 0.41 0.00 0.00 173.24 170.92 2i03 s LEU 60 N 3.55 2.98 -0.30 2.44 0.05 -1.26 -4.44 118.68 121.70 2i03 s LEU 60 Ca 0.33 -0.49 0.03 0.00 0.05 0.00 0.00 54.13 54.05 2i03 s LEU 60 Cb -0.11 -1.73 0.08 0.00 -2.05 0.00 0.00 46.19 42.39 2i03 s LEU 60 CO 0.24 0.14 -0.01 -0.60 -0.55 0.00 0.00 176.35 175.58 2i03 s ARG 61 N -2.51 1.67 0.19 1.48 3.00 -0.65 -4.93 118.95 117.22 2i03 s ARG 61 Ca 0.23 -1.58 -0.32 0.00 -1.00 0.00 0.00 55.73 53.06 2i03 s ARG 61 Cb -0.10 -2.97 -0.11 0.00 0.00 0.00 0.00 34.95 31.77 2i03 s ARG 61 CO 0.14 -0.80 1.64 -1.58 0.00 0.00 0.00 175.30 174.71 2i03 s TRP 62 N 1.06 2.97 -1.04 5.12 0.52 -1.26 -0.92 118.94 125.38 2i03 s TRP 62 Ca 0.03 0.50 0.10 0.00 0.02 0.00 0.00 56.10 56.75 2i03 s TRP 62 Cb -0.19 -4.04 0.03 0.00 -1.15 0.00 0.00 33.47 28.12 2i03 s TRP 62 CO -0.08 -3.86 0.70 0.44 0.02 0.00 0.00 176.95 174.17 2i03 n ILE 63 N 3.86 0.00 -2.43 2.03 -5.35 -0.18 -4.92 119.36 112.37 2i03 n ILE 63 Ca 0.14 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 2i03 n ILE 63 Cb 0.37 1.15 0.00 0.00 -1.74 0.00 0.00 39.64 39.42 2i03 n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2i03 n SER 64 N 0.09 0.00 -1.10 7.28 3.41 -1.05 -4.95 113.62 117.31 2i03 n SER 64 Ca 0.05 -0.10 0.11 0.00 -0.26 0.00 0.00 58.87 58.67 2i03 n SER 64 Cb 0.22 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.43 2i03 n SER 64 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2i03 n ASP 65 N -0.07 3.26 0.00 4.04 2.03 -1.26 -1.94 116.55 122.61 2i03 n ASP 65 Ca 0.00 -1.96 0.00 0.00 0.52 0.00 0.00 54.79 53.35 2i03 n ASP 65 Cb 0.00 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 2i03 n ASP 65 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2i03 n HIS 66 N 1.33 0.00 -4.42 -0.67 -0.00 -1.26 -4.53 115.22 105.68 2i03 n HIS 66 Ca 0.20 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.70 2i03 n HIS 66 Cb 0.56 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.42 2i03 n HIS 66 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2i03 s GLU 67 N -0.23 1.08 0.06 -0.41 2.02 -1.26 -1.24 118.70 118.72 2i03 s GLU 67 Ca 0.00 -0.87 0.01 0.00 0.02 0.00 0.00 54.97 54.13 2i03 s GLU 67 Cb 0.00 -1.15 -0.03 0.00 0.10 0.00 0.00 34.13 33.05 2i03 s GLU 67 CO 0.00 0.28 -0.06 1.52 0.02 0.00 0.00 175.26 177.03 2i03 s TYR 68 N -0.91 0.67 -0.19 1.61 -0.85 -1.05 -1.01 117.35 115.62 2i03 s TYR 68 Ca 0.04 -0.78 -0.08 0.00 -0.52 0.00 0.00 57.07 55.72 2i03 s TYR 68 Cb -0.09 -0.42 -0.04 0.00 0.38 0.00 0.00 41.96 41.79 2i03 s TYR 68 CO 0.02 -0.18 0.09 -0.51 -1.52 0.00 0.00 175.55 173.44 2i03 s LEU 69 N -2.41 3.93 -0.66 -3.49 1.43 -0.10 -0.55 118.68 116.83 2i03 s LEU 69 Ca 0.01 0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2i03 s LEU 69 Cb -0.00 -2.00 0.17 0.00 0.03 0.00 0.00 46.19 44.38 2i03 s LEU 69 CO -0.04 0.17 0.48 -0.47 0.23 0.00 0.00 176.35 176.72 2i03 s TYR 70 N 0.43 3.46 0.49 0.29 5.04 -0.63 -1.63 117.35 124.80 2i03 s TYR 70 Ca 0.05 -2.82 -0.23 0.00 -2.44 0.00 0.00 57.07 51.62 2i03 s TYR 70 Cb -0.12 -3.16 -0.06 0.00 0.35 0.00 0.00 41.96 38.96 2i03 s TYR 70 CO -0.00 -0.81 1.32 0.15 -1.34 0.00 0.00 175.55 174.87 2i03 s LYS 71 N -0.34 3.48 0.43 4.97 1.02 -1.26 -3.03 119.74 125.01 2i03 s LYS 71 Ca 0.19 2.16 0.01 0.00 0.02 0.00 0.00 55.97 58.34 2i03 s LYS 71 Cb -0.18 -2.43 -0.00 0.00 -0.52 0.00 0.00 37.83 34.70 2i03 s LYS 71 CO -0.05 -0.89 0.02 1.04 -0.92 0.00 0.00 175.35 174.55 2i03 n GLN 72 N -0.61 0.88 0.27 1.68 6.02 -1.04 -4.94 117.38 119.64 2i03 n GLN 72 Ca 0.08 -3.18 0.18 0.00 -0.01 0.00 0.00 57.00 54.07 2i03 n GLN 72 Cb 0.45 0.99 0.93 0.00 1.02 0.00 0.00 30.24 33.63 2i03 n GLN 72 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2i03 h GLU 73 N 0.00 0.00 0.00 -1.09 4.81 -2.05 -3.39 114.58 112.86 2i03 h GLU 73 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2i03 h GLU 73 Cb 1.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2i03 h GLU 73 CO 0.58 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.95 2i03 n ASN 74 N -2.82 0.00 -4.87 1.04 3.02 -1.26 -5.11 115.26 105.25 2i03 n ASN 74 Ca -0.02 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.22 2i03 n ASN 74 Cb 0.11 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.23 2i03 n ASN 74 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2i03 s ASN 75 N 0.83 6.11 -0.13 6.41 2.20 -1.26 -4.16 114.94 124.94 2i03 s ASN 75 Ca 0.00 0.20 -0.21 0.00 -0.94 0.00 0.00 52.86 51.92 2i03 s ASN 75 Cb 0.00 -1.82 -0.04 0.00 -2.00 0.00 0.00 41.25 37.39 2i03 s ASN 75 CO 0.00 0.19 0.59 -0.63 -2.94 0.00 0.00 177.10 174.31 2i03 s ILE 76 N -1.43 5.10 0.30 0.54 1.01 -1.12 -2.49 121.20 123.10 2i03 s ILE 76 Ca 0.32 1.17 0.08 0.00 0.00 0.00 0.00 60.65 62.21 2i03 s ILE 76 Cb -0.13 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 2i03 s ILE 76 CO 0.24 0.24 0.20 -0.76 0.00 0.00 0.00 174.94 174.86 2i03 s LEU 77 N 1.06 3.58 -0.10 2.97 1.43 -1.17 -0.39 118.68 126.07 2i03 s LEU 77 Ca 0.30 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.98 2i03 s LEU 77 Cb -0.16 -2.14 -0.00 0.00 0.03 0.00 0.00 46.19 43.92 2i03 s LEU 77 CO 0.13 -0.18 -0.24 0.54 0.23 0.00 0.00 176.35 176.82 2i03 s VAL 78 N -2.26 2.07 0.05 -1.59 0.11 -0.26 -1.60 120.40 116.92 2i03 s VAL 78 Ca 0.36 -1.02 0.06 0.00 -2.93 0.00 0.00 61.98 58.46 2i03 s VAL 78 Cb -0.06 -1.79 -0.04 0.00 -1.53 0.00 0.00 36.38 32.97 2i03 s VAL 78 CO 0.25 0.56 -0.12 -0.36 -3.33 0.00 0.00 175.10 172.09 2i03 s PHE 79 N 0.33 2.71 -0.40 1.54 0.08 0.29 -1.61 117.98 120.92 2i03 s PHE 79 Ca -0.19 -0.16 -0.15 0.00 0.12 0.00 0.00 56.93 56.54 2i03 s PHE 79 Cb -0.18 -1.49 0.01 0.00 -0.57 0.00 0.00 43.02 40.79 2i03 s PHE 79 CO 0.09 0.34 0.34 1.21 -0.10 0.00 0.00 175.22 177.10 2i03 s ASN 80 N -1.69 6.14 0.25 1.36 3.84 -0.16 -2.52 114.94 122.16 2i03 s ASN 80 Ca 0.17 -0.71 -0.04 0.00 0.21 0.00 0.00 52.86 52.50 2i03 s ASN 80 Cb -0.11 -2.18 0.38 0.00 -0.55 0.00 0.00 41.25 38.79 2i03 s ASN 80 CO 0.09 -0.45 1.86 0.00 -2.79 0.00 0.00 177.10 175.80 2i03 h ALA 81 N 8.63 1.29 0.77 1.71 0.00 -1.49 0.41 119.26 130.57 2i03 h ALA 81 Ca -0.28 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 2i03 h ALA 81 Cb 1.12 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2i03 h ALA 81 CO 0.73 0.34 -0.43 1.49 0.00 0.00 0.00 179.25 181.38 2i03 h GLU 82 N 1.06 -1.07 0.00 0.00 4.57 -1.94 -3.36 114.58 113.84 2i03 h GLU 82 Ca 0.41 0.07 -0.23 0.00 -1.18 0.00 0.00 59.36 58.43 2i03 h GLU 82 Cb 0.19 0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 28.98 2i03 h GLU 82 CO -0.18 -0.71 -2.02 0.66 -1.18 0.00 0.00 179.01 175.58 2i03 n TYR 83 N -5.18 0.29 0.00 0.92 4.01 -1.23 -5.00 117.16 110.98 2i03 n TYR 83 Ca -0.14 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 2i03 n TYR 83 Cb 0.45 -0.91 0.00 0.00 -0.31 0.00 0.00 39.34 38.57 2i03 n TYR 83 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2i03 n GLY 84 N 1.53 0.03 3.68 2.72 0.00 0.14 -5.05 105.19 108.25 2i03 n GLY 84 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 2i03 n GLY 84 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2i03 n ASN 85 N 0.00 1.13 -4.16 1.61 6.94 -1.26 -4.53 115.26 114.99 2i03 n ASN 85 Ca 0.00 0.65 -0.10 0.00 -0.02 0.00 0.00 54.58 55.11 2i03 n ASN 85 Cb 0.00 -1.50 -0.10 0.00 -2.36 0.00 0.00 39.78 35.82 2i03 n ASN 85 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2i03 s SER 86 N -1.86 0.64 0.27 0.53 1.04 -1.26 -0.99 113.70 112.06 2i03 s SER 86 Ca 0.75 -1.14 0.01 0.00 0.48 0.00 0.00 55.95 56.05 2i03 s SER 86 Cb -0.32 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 65.99 2i03 s SER 86 CO 0.48 -0.64 0.26 -0.44 0.98 0.00 0.00 173.24 173.88 2i03 s SER 87 N -3.05 0.75 -0.21 7.02 0.01 -0.63 -4.98 113.70 112.61 2i03 s SER 87 Ca 0.19 -1.49 -0.15 0.00 1.31 0.00 0.00 55.95 55.82 2i03 s SER 87 Cb 0.07 0.50 -0.04 0.00 0.21 0.00 0.00 66.02 66.76 2i03 s SER 87 CO -0.01 -1.00 0.34 -0.69 0.41 0.00 0.00 173.24 172.29 2i03 s VAL 88 N -3.76 5.24 -0.02 3.43 1.01 -1.26 -1.10 120.40 123.93 2i03 s VAL 88 Ca 0.37 0.59 -0.20 0.00 0.00 0.00 0.00 61.98 62.74 2i03 s VAL 88 Cb 0.04 -3.68 -0.31 0.00 0.00 0.00 0.00 36.38 32.43 2i03 s VAL 88 CO 0.18 0.28 0.94 0.15 0.00 0.00 0.00 175.10 176.65 2i03 h PHE 89 N 7.35 0.65 -1.72 5.22 3.04 -0.99 -3.46 116.94 127.03 2i03 h PHE 89 Ca -0.37 -0.46 0.08 0.00 3.98 0.00 0.00 57.97 61.20 2i03 h PHE 89 Cb 1.16 -0.03 -0.24 0.00 2.56 0.00 0.00 35.95 39.40 2i03 h PHE 89 CO 0.67 1.35 0.21 -0.48 -2.02 0.00 0.00 178.31 178.04 2i03 s LEU 90 N -7.87 -0.71 0.56 0.59 -0.00 -1.15 -5.04 118.68 105.05 2i03 s LEU 90 Ca -0.13 1.13 -0.21 0.00 -0.00 0.00 0.00 54.13 54.93 2i03 s LEU 90 Cb 0.02 2.03 -0.04 0.00 -0.00 0.00 0.00 46.19 48.19 2i03 s LEU 90 CO 0.86 -0.18 1.30 -0.70 -0.00 0.00 0.00 176.35 177.63 2i03 s GLU 91 N 1.55 3.09 0.38 1.48 2.56 -1.26 -2.79 118.70 123.71 2i03 s GLU 91 Ca -0.09 2.09 0.05 0.00 0.00 0.00 0.00 54.97 57.02 2i03 s GLU 91 Cb -0.05 -2.16 0.76 0.00 2.00 0.00 0.00 34.13 34.69 2i03 s GLU 91 CO -0.17 -1.19 2.02 -2.95 -0.56 0.00 0.00 175.26 172.41 2i03 h ASN 92 N 1.29 0.54 1.02 -1.70 -1.07 -1.93 -0.81 115.58 112.91 2i03 h ASN 92 Ca -0.51 -0.03 0.00 0.00 0.07 0.00 0.00 56.30 55.84 2i03 h ASN 92 Cb 1.30 -0.14 0.00 0.00 -2.07 0.00 0.00 38.32 37.41 2i03 h ASN 92 CO 0.57 0.43 0.00 0.77 0.07 0.00 0.00 177.43 179.26 2i03 h SER 93 N 0.62 0.00 -1.29 6.14 4.64 -1.91 -3.31 113.55 118.44 2i03 h SER 93 Ca 0.16 0.00 0.37 0.00 -0.47 0.00 0.00 61.79 61.86 2i03 h SER 93 Cb -0.01 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.03 2i03 h SER 93 CO -0.03 0.00 0.99 0.74 -0.87 0.00 0.00 176.83 177.66 2i03 h THR 94 N 0.00 0.27 0.00 2.95 2.02 -1.50 -1.14 112.91 115.51 2i03 h THR 94 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2i03 h THR 94 Cb 0.51 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.17 2i03 h THR 94 CO 0.00 0.00 -0.36 0.49 0.37 0.00 0.00 175.52 176.02 2i03 n PHE 95 N -4.00 0.00 -0.35 3.16 3.72 -1.25 -4.80 117.46 113.95 2i03 n PHE 95 Ca 0.28 -0.86 0.25 0.00 -0.05 0.00 0.00 57.45 57.07 2i03 n PHE 95 Cb 1.40 -0.15 0.51 0.00 -0.94 0.00 0.00 39.48 40.29 2i03 n PHE 95 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2i03 h ASP 96 N 0.38 0.46 -1.73 4.37 3.32 -1.40 -0.09 116.42 121.74 2i03 h ASP 96 Ca -0.03 0.13 -0.67 0.00 0.02 0.00 0.00 57.03 56.48 2i03 h ASP 96 Cb 1.19 0.07 -0.36 0.00 0.22 0.00 0.00 39.33 40.45 2i03 h ASP 96 CO 0.01 -0.02 0.03 -1.84 -1.72 0.00 0.00 179.24 175.71 2i03 n GLU 97 N -4.78 3.16 0.17 3.56 0.28 -1.26 -4.59 120.64 117.17 2i03 n GLU 97 Ca 0.29 -4.10 0.10 0.00 -0.16 0.00 0.00 57.16 53.29 2i03 n GLU 97 Cb 0.99 -2.26 0.09 0.00 1.43 0.00 0.00 31.44 31.69 2i03 n GLU 97 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2i03 h PHE 98 N 2.77 0.00 -0.07 -1.84 3.57 -1.36 -3.47 116.94 116.53 2i03 h PHE 98 Ca 0.41 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.88 2i03 h PHE 98 Cb 0.54 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 2i03 h PHE 98 CO 0.97 0.09 -0.03 0.41 -2.23 0.00 0.00 178.31 177.52 2i03 n GLY 99 N 1.15 0.51 3.39 2.40 0.00 -1.26 -4.99 105.19 106.40 2i03 n GLY 99 Ca 0.02 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.58 2i03 n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2i03 s HIS 100 N -1.92 -0.43 -0.12 1.61 3.76 -1.26 -5.13 115.29 111.79 2i03 s HIS 100 Ca 0.00 0.58 -0.25 0.00 -0.15 0.00 0.00 55.06 55.24 2i03 s HIS 100 Cb 0.00 0.31 -0.02 0.00 1.11 0.00 0.00 32.58 33.98 2i03 s HIS 100 CO 0.00 -0.59 0.80 0.45 -0.85 0.00 0.00 174.74 174.55 2i03 s SER 101 N -1.69 7.00 -0.31 1.40 0.15 -1.26 -5.02 113.70 113.96 2i03 s SER 101 Ca -0.08 1.21 -0.14 0.00 0.70 0.00 0.00 55.95 57.65 2i03 s SER 101 Cb -0.01 -2.45 -0.03 0.00 -1.71 0.00 0.00 66.02 61.82 2i03 s SER 101 CO 0.02 -0.29 0.30 -0.63 1.20 0.00 0.00 173.24 173.84 2i03 s ILE 102 N 1.60 5.23 -2.16 6.45 1.01 -1.26 -4.36 121.20 127.71 2i03 s ILE 102 Ca 0.39 0.18 0.23 0.00 0.00 0.00 0.00 60.65 61.45 2i03 s ILE 102 Cb -0.17 -3.69 0.04 0.00 0.01 0.00 0.00 42.46 38.65 2i03 s ILE 102 CO 0.16 0.08 1.16 -0.46 0.00 0.00 0.00 174.94 175.87 2i03 n ASN 103 N 5.24 2.09 -3.62 3.58 6.94 -0.99 -4.98 115.26 123.52 2i03 n ASN 103 Ca -0.11 -1.54 -0.09 0.00 -0.02 0.00 0.00 54.58 52.82 2i03 n ASN 103 Cb 0.51 0.38 -0.06 0.00 -2.36 0.00 0.00 39.78 38.25 2i03 n ASN 103 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2i03 s ASP 104 N -2.41 -0.37 0.29 0.53 -1.08 -1.22 -5.05 116.67 107.36 2i03 s ASP 104 Ca 0.20 0.60 0.11 0.00 -0.52 0.00 0.00 52.55 52.94 2i03 s ASP 104 Cb 0.18 0.57 -0.05 0.00 -1.46 0.00 0.00 42.92 42.16 2i03 s ASP 104 CO 0.53 -0.20 -0.12 -0.31 0.52 0.00 0.00 175.17 175.59 2i03 s TYR 105 N -0.31 2.42 -0.42 -5.34 1.51 -1.26 -1.03 117.35 112.92 2i03 s TYR 105 Ca 0.02 -0.34 0.06 0.00 -1.01 0.00 0.00 57.07 55.80 2i03 s TYR 105 Cb -0.03 -1.14 0.17 0.00 -0.11 0.00 0.00 41.96 40.85 2i03 s TYR 105 CO -0.04 0.65 0.54 0.45 -1.11 0.00 0.00 175.55 176.04 2i03 s SER 106 N -3.58 -0.40 0.14 2.29 0.15 -0.37 -4.96 113.70 106.99 2i03 s SER 106 Ca 0.31 -1.41 -0.31 0.00 0.70 0.00 0.00 55.95 55.24 2i03 s SER 106 Cb -0.04 1.30 -0.09 0.00 -1.71 0.00 0.00 66.02 65.49 2i03 s SER 106 CO 0.17 -0.18 1.46 -0.63 1.20 0.00 0.00 173.24 175.26 2i03 s ILE 107 N 1.38 3.01 0.61 6.45 1.01 -1.26 -2.25 121.20 130.15 2i03 s ILE 107 Ca 0.20 0.74 -0.19 0.00 0.00 0.00 0.00 60.65 61.39 2i03 s ILE 107 Cb -0.07 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 2i03 s ILE 107 CO -0.06 0.06 1.32 -0.94 0.00 0.00 0.00 174.94 175.32 2i03 s SER 108 N 1.05 4.84 0.00 3.58 1.04 0.18 -4.80 113.70 119.58 2i03 s SER 108 Ca 0.66 2.68 0.02 0.00 0.48 0.00 0.00 55.95 59.79 2i03 s SER 108 Cb -0.40 -2.63 0.10 0.00 0.10 0.00 0.00 66.02 63.20 2i03 s SER 108 CO 0.32 -1.85 0.40 -0.81 0.98 0.00 0.00 173.24 172.28 2i03 n PRO 109 N -1.58 0.26 -0.05 4.02 -0.04 -1.26 -0.94 135.00 135.40 2i03 n PRO 109 Ca 0.14 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.49 2i03 n PRO 109 Cb 0.47 -1.11 -0.15 0.00 -0.04 0.00 0.00 33.50 32.68 2i03 n PRO 109 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2i03 n ASP 110 N -0.61 0.80 0.00 3.54 9.92 -1.25 -4.88 116.55 124.07 2i03 n ASP 110 Ca 0.01 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.48 2i03 n ASP 110 Cb 0.01 0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 2i03 n ASP 110 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2i03 n GLY 111 N 1.72 0.66 0.10 0.44 0.00 -0.12 -4.86 105.19 103.14 2i03 n GLY 111 Ca -0.26 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 2i03 n GLY 111 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2i03 n GLN 112 N -2.52 0.67 -4.21 1.61 6.02 -1.26 -4.87 117.38 112.82 2i03 n GLN 112 Ca 0.00 0.15 -0.14 0.00 -0.01 0.00 0.00 57.00 57.00 2i03 n GLN 112 Cb 0.01 -1.65 -0.10 0.00 1.02 0.00 0.00 30.24 29.52 2i03 n GLN 112 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2i03 s PHE 113 N -2.54 1.15 -0.11 1.08 0.08 -1.26 -0.70 117.98 115.68 2i03 s PHE 113 Ca -0.10 -0.71 0.01 0.00 0.12 0.00 0.00 56.93 56.25 2i03 s PHE 113 Cb 0.07 -0.61 0.02 0.00 -0.57 0.00 0.00 43.02 41.93 2i03 s PHE 113 CO 0.81 0.03 -0.13 0.42 -0.10 0.00 0.00 175.22 176.25 2i03 s ILE 114 N -2.86 1.36 -0.20 0.64 1.01 -0.56 -0.65 121.20 119.94 2i03 s ILE 114 Ca 0.10 -0.54 -0.18 0.00 0.00 0.00 0.00 60.65 60.03 2i03 s ILE 114 Cb -0.00 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 2i03 s ILE 114 CO 0.00 0.42 0.52 -0.22 0.00 0.00 0.00 174.94 175.66 2i03 s LEU 115 N 1.19 4.14 -0.26 2.97 2.96 -0.95 -0.69 118.68 128.04 2i03 s LEU 115 Ca -0.03 0.68 -0.07 0.00 -0.22 0.00 0.00 54.13 54.48 2i03 s LEU 115 Cb -0.14 -2.71 -0.02 0.00 0.50 0.00 0.00 46.19 43.82 2i03 s LEU 115 CO -0.04 -0.19 0.07 -0.76 -1.32 0.00 0.00 176.35 174.12 2i03 s LEU 116 N 1.66 3.51 -0.20 -0.68 1.43 0.16 -1.23 118.68 123.33 2i03 s LEU 116 Ca 0.24 -0.30 -0.10 0.00 -1.03 0.00 0.00 54.13 52.94 2i03 s LEU 116 Cb -0.15 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 2i03 s LEU 116 CO 0.10 -0.06 0.13 -0.70 0.23 0.00 0.00 176.35 176.04 2i03 s GLU 117 N 1.60 4.16 0.32 1.70 2.12 -0.20 -1.34 118.70 127.06 2i03 s GLU 117 Ca 0.06 -0.21 -0.07 0.00 0.36 0.00 0.00 54.97 55.11 2i03 s GLU 117 Cb -0.15 -3.41 0.01 0.00 0.26 0.00 0.00 34.13 30.83 2i03 s GLU 117 CO 0.03 0.32 0.51 1.52 -0.54 0.00 0.00 175.26 177.10 2i03 s TYR 118 N 0.31 0.77 -1.40 5.30 1.13 -0.47 -2.35 117.35 120.64 2i03 s TYR 118 Ca 0.08 -1.09 -0.08 0.00 -1.41 0.00 0.00 57.07 54.57 2i03 s TYR 118 Cb -0.11 0.09 0.01 0.00 -1.10 0.00 0.00 41.96 40.85 2i03 s TYR 118 CO -0.02 -1.14 1.08 0.09 -2.51 0.00 0.00 175.55 173.05 2i03 n ASN 119 N -1.12 -6.35 -4.74 -0.18 3.02 -1.26 0.42 115.26 105.05 2i03 n ASN 119 Ca -0.01 -0.50 -0.42 0.00 -0.03 0.00 0.00 54.58 53.63 2i03 n ASN 119 Cb 0.62 -5.02 -0.02 0.00 -0.61 0.00 0.00 39.78 34.75 2i03 n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2i03 s TYR 120 N -3.29 2.84 -0.27 3.10 5.04 -1.26 -4.24 117.35 119.26 2i03 s TYR 120 Ca 0.54 0.69 -0.04 0.00 -2.44 0.00 0.00 57.07 55.82 2i03 s TYR 120 Cb -0.24 -4.05 0.10 0.00 0.35 0.00 0.00 41.96 38.12 2i03 s TYR 120 CO 0.66 -3.66 0.15 0.08 -1.34 0.00 0.00 175.55 171.45 2i03 s VAL 121 N 0.38 -0.12 0.52 3.14 1.01 -0.26 -5.00 120.40 120.06 2i03 s VAL 121 Ca 0.66 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.79 2i03 s VAL 121 Cb -0.47 -0.92 -0.06 0.00 0.00 0.00 0.00 36.38 34.93 2i03 s VAL 121 CO 0.42 -0.62 1.34 -0.75 0.00 0.00 0.00 175.10 175.49 2i03 s LYS 122 N 2.15 3.31 0.00 2.72 2.20 -1.26 -1.56 119.74 127.29 2i03 s LYS 122 Ca 0.08 2.19 0.00 0.00 -0.36 0.00 0.00 55.97 57.88 2i03 s LYS 122 Cb -0.16 -2.34 0.00 0.00 -1.51 0.00 0.00 37.83 33.82 2i03 s LYS 122 CO -0.32 -1.04 0.00 0.94 -0.36 0.00 0.00 175.35 174.57 2i03 n GLN 123 N -0.82 0.00 0.00 4.03 7.27 -0.12 -4.89 117.38 122.85 2i03 n GLN 123 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.16 2i03 n GLN 123 Cb 0.45 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.10 2i03 n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 2i03 n TRP 124 N 0.00 0.00 -0.04 3.69 5.03 -1.18 -4.96 117.44 119.97 2i03 n TRP 124 Ca 0.00 0.00 -0.10 0.00 3.03 0.00 0.00 57.50 60.43 2i03 n TRP 124 Cb 0.00 0.00 0.05 0.00 -1.03 0.00 0.00 31.31 30.33 2i03 n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 2i03 h ARG 125 N 0.00 0.68 0.00 -0.99 2.43 -1.98 -3.39 114.38 111.12 2i03 h ARG 125 Ca 0.00 -0.38 -0.10 0.00 -0.81 0.00 0.00 59.98 58.70 2i03 h ARG 125 Cb 0.00 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2i03 h ARG 125 CO 0.00 0.99 -1.37 0.72 -1.51 0.00 0.00 179.97 178.80 2i03 n HIS 126 N -4.01 0.00 -2.25 2.20 8.25 -1.26 -5.07 115.22 113.08 2i03 n HIS 126 Ca -0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.09 2i03 n HIS 126 Cb 0.56 -0.25 -0.00 0.00 1.12 0.00 0.00 29.99 31.41 2i03 n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2i03 s SER 127 N -4.53 5.84 -0.05 0.41 1.04 -1.26 -4.76 113.70 110.38 2i03 s SER 127 Ca -0.08 2.03 -0.31 0.00 0.48 0.00 0.00 55.95 58.07 2i03 s SER 127 Cb 0.02 -2.56 0.11 0.00 0.10 0.00 0.00 66.02 63.69 2i03 s SER 127 CO 0.16 -1.13 1.09 -0.72 0.98 0.00 0.00 173.24 173.62 2i03 s TYR 128 N -2.00 -0.18 0.24 5.02 -0.85 -1.26 -0.95 117.35 117.38 2i03 s TYR 128 Ca 0.69 0.05 0.11 0.00 -0.52 0.00 0.00 57.07 57.40 2i03 s TYR 128 Cb -0.20 0.55 -0.05 0.00 0.38 0.00 0.00 41.96 42.64 2i03 s TYR 128 CO 0.28 -0.41 -0.16 0.95 -1.52 0.00 0.00 175.55 174.69 2i03 s THR 129 N -2.76 2.73 0.28 -3.49 -4.23 -0.60 -4.64 115.64 102.93 2i03 s THR 129 Ca 0.09 -2.09 -0.19 0.00 -1.18 0.00 0.00 61.69 58.32 2i03 s THR 129 Cb 0.00 -2.39 0.06 0.00 1.34 0.00 0.00 72.50 71.51 2i03 s THR 129 CO -0.05 -0.27 0.91 0.00 -0.54 0.00 0.00 174.62 174.67 2i03 s ALA 130 N -2.11 -1.19 0.07 3.99 0.00 -1.00 -1.10 121.76 120.42 2i03 s ALA 130 Ca 0.27 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.77 2i03 s ALA 130 Cb -0.07 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 2i03 s ALA 130 CO 0.14 -1.03 -0.01 -1.12 0.00 0.00 0.00 175.76 173.75 2i03 s SER 131 N -3.21 5.01 -0.01 0.00 0.01 0.17 -2.04 113.70 113.62 2i03 s SER 131 Ca 0.18 -0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.31 2i03 s SER 131 Cb -0.04 -1.21 -0.00 0.00 0.21 0.00 0.00 66.02 64.98 2i03 s SER 131 CO 0.08 0.20 -0.06 -0.31 0.41 0.00 0.00 173.24 173.56 2i03 s TYR 132 N -1.25 0.62 -0.02 2.43 1.51 -1.26 -1.37 117.35 118.01 2i03 s TYR 132 Ca 0.24 -0.13 0.05 0.00 -1.01 0.00 0.00 57.07 56.22 2i03 s TYR 132 Cb -0.12 -0.43 -0.01 0.00 -0.11 0.00 0.00 41.96 41.29 2i03 s TYR 132 CO 0.16 -0.04 -0.16 -0.51 -1.11 0.00 0.00 175.55 173.89 2i03 s ASP 133 N 0.03 1.89 -0.22 2.29 1.01 -0.45 -4.34 116.67 116.88 2i03 s ASP 133 Ca 0.00 -0.30 -0.09 0.00 0.71 0.00 0.00 52.55 52.88 2i03 s ASP 133 Cb -0.05 -0.31 -0.04 0.00 1.01 0.00 0.00 42.92 43.53 2i03 s ASP 133 CO -0.00 0.18 0.11 -0.63 0.21 0.00 0.00 175.17 175.03 2i03 s ILE 134 N -0.23 4.91 -0.19 0.77 1.01 -1.26 0.37 121.20 126.58 2i03 s ILE 134 Ca 0.03 0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.64 2i03 s ILE 134 Cb -0.08 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 2i03 s ILE 134 CO 0.00 0.38 0.03 -0.47 0.00 0.00 0.00 174.94 174.88 2i03 s TYR 135 N 0.97 3.13 -0.38 3.97 5.04 0.13 -2.03 117.35 128.18 2i03 s TYR 135 Ca 0.05 -0.19 -0.26 0.00 -2.44 0.00 0.00 57.07 54.23 2i03 s TYR 135 Cb -0.14 -2.08 0.02 0.00 0.35 0.00 0.00 41.96 40.11 2i03 s TYR 135 CO 0.03 -0.05 0.92 0.34 -1.34 0.00 0.00 175.55 175.45 2i03 s ASP 136 N 0.70 6.64 0.44 4.32 -1.08 0.80 -1.50 116.67 127.00 2i03 s ASP 136 Ca 0.01 0.50 0.23 0.00 -0.52 0.00 0.00 52.55 52.77 2i03 s ASP 136 Cb -0.14 -2.46 0.99 0.00 -1.46 0.00 0.00 42.92 39.85 2i03 s ASP 136 CO 0.02 -0.89 1.87 -0.07 0.52 0.00 0.00 175.17 176.62 2i03 h LEU 137 N 10.15 0.00 0.00 -1.34 3.38 -1.20 -0.14 115.31 126.17 2i03 h LEU 137 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2i03 h LEU 137 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2i03 h LEU 137 CO 0.99 0.25 0.00 0.59 0.09 0.00 0.00 178.44 180.35 2i03 n ASN 138 N -3.54 0.00 -0.24 -0.43 3.02 -1.25 -3.67 115.26 109.15 2i03 n ASN 138 Ca -0.01 0.80 0.06 0.00 -0.03 0.00 0.00 54.58 55.40 2i03 n ASN 138 Cb 0.40 -0.40 0.28 0.00 -0.61 0.00 0.00 39.78 39.44 2i03 n ASN 138 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2i03 n LYS 139 N -1.70 1.31 -3.97 3.52 2.85 -1.25 -4.89 118.16 114.03 2i03 n LYS 139 Ca 0.00 -0.48 -0.32 0.00 -1.05 0.00 0.00 58.31 56.46 2i03 n LYS 139 Cb 0.00 -1.23 -0.01 0.00 -0.65 0.00 0.00 35.03 33.15 2i03 n LYS 139 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2i03 n ARG 140 N -0.22 -3.81 -4.29 -1.58 1.74 -0.10 -4.94 116.66 103.47 2i03 n ARG 140 Ca 0.10 0.45 -0.28 0.00 -0.77 0.00 0.00 57.85 57.34 2i03 n ARG 140 Cb 0.15 -5.22 -0.10 0.00 -1.02 0.00 0.00 32.46 26.27 2i03 n ARG 140 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2i03 s GLN 141 N -6.66 1.95 -0.50 5.56 2.00 -0.98 -4.94 119.66 116.08 2i03 s GLN 141 Ca 0.66 -1.21 -0.17 0.00 -2.00 0.00 0.00 55.36 52.64 2i03 s GLN 141 Cb -0.35 -2.15 0.07 0.00 0.80 0.00 0.00 33.01 31.38 2i03 s GLN 141 CO 0.81 0.46 0.52 -1.17 -0.50 0.00 0.00 175.29 175.41 2i03 s LEU 142 N -2.48 5.39 -0.17 3.68 0.20 -1.26 -0.14 118.68 123.90 2i03 s LEU 142 Ca 0.22 -1.21 -0.35 0.00 0.69 0.00 0.00 54.13 53.48 2i03 s LEU 142 Cb -0.10 -2.30 -0.12 0.00 -0.43 0.00 0.00 46.19 43.24 2i03 s LEU 142 CO 0.13 -0.79 1.91 -0.38 -0.29 0.00 0.00 176.35 176.93 2i03 n ILE 143 N 5.39 0.47 0.41 6.68 5.41 -0.86 -4.86 119.36 132.00 2i03 n ILE 143 Ca -0.10 -0.13 0.07 0.00 1.00 0.00 0.00 62.75 63.59 2i03 n ILE 143 Cb 0.44 -1.75 0.09 0.00 -0.71 0.00 0.00 39.64 37.71 2i03 n ILE 143 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2i03 n THR 144 N 5.44 0.21 -4.21 1.39 -2.24 -1.26 -4.59 114.28 109.02 2i03 n THR 144 Ca 0.26 -0.61 -0.31 0.00 -2.27 0.00 0.00 64.05 61.13 2i03 n THR 144 Cb 0.26 1.12 -0.09 0.00 -2.10 0.00 0.00 70.33 69.52 2i03 n THR 144 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2i03 s GLU 145 N -1.13 2.58 -1.72 -0.78 1.03 -1.26 -4.62 118.70 112.80 2i03 s GLU 145 Ca 0.19 -0.78 -0.14 0.00 0.03 0.00 0.00 54.97 54.27 2i03 s GLU 145 Cb 0.12 -2.55 0.14 0.00 -0.80 0.00 0.00 34.13 31.04 2i03 s GLU 145 CO 0.18 0.57 0.46 0.39 -1.33 0.00 0.00 175.26 175.53 2i03 n GLU 146 N 0.90 -1.49 -1.23 -4.83 -0.58 -1.26 -4.72 120.64 107.43 2i03 n GLU 146 Ca -0.12 0.20 -0.31 0.00 -0.42 0.00 0.00 57.16 56.51 2i03 n GLU 146 Cb 0.52 -4.47 0.11 0.00 -0.57 0.00 0.00 31.44 27.02 2i03 n GLU 146 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2i03 s ARG 147 N -7.16 1.97 0.32 3.49 1.70 -1.26 -4.84 118.95 113.16 2i03 s ARG 147 Ca 0.52 1.08 -0.29 0.00 -0.47 0.00 0.00 55.73 56.58 2i03 s ARG 147 Cb -0.30 -1.87 -0.10 0.00 -0.57 0.00 0.00 34.95 32.11 2i03 s ARG 147 CO 0.99 -1.82 1.42 0.42 -1.08 0.00 0.00 175.30 175.23 2i03 s ILE 148 N -2.91 2.46 0.91 4.99 1.01 -1.26 -4.98 121.20 121.42 2i03 s ILE 148 Ca 0.62 0.43 -0.11 0.00 0.00 0.00 0.00 60.65 61.59 2i03 s ILE 148 Cb -0.17 -3.28 0.13 0.00 0.01 0.00 0.00 42.46 39.15 2i03 s ILE 148 CO 0.56 0.09 1.08 -2.65 0.00 0.00 0.00 174.94 174.02 2i03 n PRO 149 N 1.28 -0.36 -2.18 2.79 -0.02 -1.26 -4.62 135.00 130.63 2i03 n PRO 149 Ca 0.03 -0.04 -0.29 0.00 -2.02 0.00 0.00 63.50 61.18 2i03 n PRO 149 Cb 0.40 -2.33 0.01 0.00 -0.02 0.00 0.00 33.50 31.56 2i03 n PRO 149 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2i03 s ASN 150 N -2.51 6.14 -1.30 2.55 0.01 -1.26 -3.90 114.94 114.66 2i03 s ASN 150 Ca 0.67 1.18 -0.04 0.00 -0.71 0.00 0.00 52.86 53.96 2i03 s ASN 150 Cb -0.24 -2.30 0.00 0.00 0.41 0.00 0.00 41.25 39.13 2i03 s ASN 150 CO 0.58 -0.82 0.50 0.59 -1.51 0.00 0.00 177.10 176.44 2i03 n ASN 151 N -2.59 -5.38 -4.75 -1.22 3.02 -1.06 -4.96 115.26 98.33 2i03 n ASN 151 Ca 0.04 -0.23 -0.40 0.00 -0.03 0.00 0.00 54.58 53.95 2i03 n ASN 151 Cb 0.55 -4.22 -0.06 0.00 -0.61 0.00 0.00 39.78 35.44 2i03 n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2i03 s THR 152 N -3.07 4.11 -0.02 3.41 2.01 -0.87 -4.66 115.64 116.56 2i03 s THR 152 Ca 0.25 2.07 -0.13 0.00 0.31 0.00 0.00 61.69 64.18 2i03 s THR 152 Cb -0.11 -4.32 -0.33 0.00 0.01 0.00 0.00 72.50 67.76 2i03 s THR 152 CO 0.31 0.47 0.80 1.56 -0.69 0.00 0.00 174.62 177.06 2i03 h GLN 153 N 4.35 0.46 -2.68 4.92 4.20 -1.30 -2.65 115.11 122.41 2i03 h GLN 153 Ca -0.45 -0.79 -0.10 0.00 0.06 0.00 0.00 58.65 57.37 2i03 h GLN 153 Cb 1.20 0.29 -0.21 0.00 0.30 0.00 0.00 27.48 29.07 2i03 h GLN 153 CO 0.69 1.38 -0.14 -0.46 -0.67 0.00 0.00 178.83 179.62 2i03 s TRP 154 N -2.59 -0.38 -0.06 2.96 -0.11 -1.22 -4.63 118.94 112.91 2i03 s TRP 154 Ca -0.13 0.75 -0.07 0.00 1.22 0.00 0.00 56.10 57.87 2i03 s TRP 154 Cb 0.05 0.19 0.02 0.00 -1.50 0.00 0.00 33.47 32.22 2i03 s TRP 154 CO 0.89 -0.39 0.18 0.08 -4.62 0.00 0.00 176.95 173.09 2i03 s VAL 155 N -0.81 0.01 -0.26 5.86 1.01 -1.26 -0.86 120.40 124.09 2i03 s VAL 155 Ca -0.09 -0.11 -0.24 0.00 0.00 0.00 0.00 61.98 61.54 2i03 s VAL 155 Cb -0.03 -0.30 0.07 0.00 0.00 0.00 0.00 36.38 36.12 2i03 s VAL 155 CO 0.04 -0.06 0.70 0.28 0.00 0.00 0.00 175.10 176.06 2i03 s THR 156 N -0.15 -0.00 0.77 3.92 -1.32 -0.60 -5.01 115.64 113.26 2i03 s THR 156 Ca -0.02 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.34 2i03 s THR 156 Cb -0.02 -0.97 0.05 0.00 -1.51 0.00 0.00 72.50 70.05 2i03 s THR 156 CO 0.01 0.00 1.10 0.26 -2.21 0.00 0.00 174.62 173.78 2i03 s TRP 157 N 0.37 2.99 0.63 9.09 0.52 -1.26 -2.38 118.94 128.90 2i03 s TRP 157 Ca -0.00 1.10 -0.12 0.00 0.02 0.00 0.00 56.10 57.10 2i03 s TRP 157 Cb -0.05 -3.12 -0.03 0.00 -1.15 0.00 0.00 33.47 29.12 2i03 s TRP 157 CO 0.01 -1.59 1.03 -1.54 0.02 0.00 0.00 176.95 174.88 2i03 s SER 158 N -4.08 6.00 0.42 2.95 1.04 -0.71 -4.92 113.70 114.41 2i03 s SER 158 Ca 0.60 1.53 0.14 0.00 0.48 0.00 0.00 55.95 58.70 2i03 s SER 158 Cb -0.13 -2.49 1.01 0.00 0.10 0.00 0.00 66.02 64.51 2i03 s SER 158 CO 0.53 -1.03 1.96 -0.65 0.98 0.00 0.00 173.24 175.04 2i03 h PRO 159 N -0.21 0.43 0.00 4.02 0.11 -1.82 -3.40 132.00 131.13 2i03 h PRO 159 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2i03 h PRO 159 Cb 1.20 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2i03 h PRO 159 CO 0.60 0.29 -0.02 1.33 -0.21 0.00 0.00 178.00 179.98 2i03 n VAL 160 N -4.47 0.12 0.00 3.15 0.24 -1.26 -4.81 118.33 111.29 2i03 n VAL 160 Ca 0.11 0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.56 2i03 n VAL 160 Cb 0.41 -1.19 0.00 0.00 -1.47 0.00 0.00 33.84 31.59 2i03 n VAL 160 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2i03 n GLY 161 N 2.99 -3.42 1.63 7.63 0.00 -1.26 -4.04 105.19 108.72 2i03 n GLY 161 Ca -0.00 -0.75 0.02 0.00 0.00 0.00 0.00 46.02 45.29 2i03 n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2i03 n HIS 162 N 0.00 0.42 -2.27 1.61 1.44 -1.26 -3.83 115.22 111.33 2i03 n HIS 162 Ca 0.00 -1.11 -0.34 0.00 -2.01 0.00 0.00 57.72 54.26 2i03 n HIS 162 Cb 0.00 -0.20 -0.01 0.00 0.12 0.00 0.00 29.99 29.91 2i03 n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2i03 s LYS 163 N -1.55 3.46 -0.01 -1.40 1.02 -1.26 -4.50 119.74 115.50 2i03 s LYS 163 Ca 0.34 1.40 0.05 0.00 0.02 0.00 0.00 55.97 57.78 2i03 s LYS 163 Cb 0.37 -2.04 -0.01 0.00 -0.52 0.00 0.00 37.83 35.63 2i03 s LYS 163 CO -0.11 -0.72 -0.16 -0.51 -0.92 0.00 0.00 175.35 172.92 2i03 s LEU 164 N -3.95 2.04 -0.03 3.17 1.43 0.13 -1.74 118.68 119.74 2i03 s LEU 164 Ca 0.68 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.49 2i03 s LEU 164 Cb -0.19 -0.84 0.01 0.00 0.03 0.00 0.00 46.19 45.20 2i03 s LEU 164 CO 0.28 0.19 -0.06 0.00 0.23 0.00 0.00 176.35 177.00 2i03 s ALA 165 N -0.41 0.63 0.13 4.21 0.00 -1.00 0.14 121.76 125.46 2i03 s ALA 165 Ca 0.06 -0.16 -0.09 0.00 0.00 0.00 0.00 51.96 51.77 2i03 s ALA 165 Cb -0.06 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.76 2i03 s ALA 165 CO -0.00 0.06 0.25 1.52 0.00 0.00 0.00 175.76 177.59 2i03 s TYR 166 N 0.43 0.27 -0.02 0.00 -0.85 0.32 -1.55 117.35 115.94 2i03 s TYR 166 Ca -0.06 -0.66 0.07 0.00 -0.52 0.00 0.00 57.07 55.91 2i03 s TYR 166 Cb -0.09 -0.05 -0.02 0.00 0.38 0.00 0.00 41.96 42.18 2i03 s TYR 166 CO 0.00 -0.64 -0.25 0.08 -1.52 0.00 0.00 175.55 173.22 2i03 s VAL 167 N -3.91 2.17 -0.21 -3.49 1.01 -0.03 -0.07 120.40 115.87 2i03 s VAL 167 Ca 0.11 -1.07 -0.13 0.00 0.00 0.00 0.00 61.98 60.89 2i03 s VAL 167 Cb 0.04 -1.76 0.06 0.00 0.00 0.00 0.00 36.38 34.72 2i03 s VAL 167 CO -0.05 0.58 0.52 0.86 0.00 0.00 0.00 175.10 177.01 2i03 s TRP 168 N -0.63 -0.74 -1.50 5.22 -0.00 -0.31 -0.93 118.94 120.04 2i03 s TRP 168 Ca 0.10 1.58 -0.03 0.00 -0.00 0.00 0.00 56.10 57.75 2i03 s TRP 168 Cb -0.10 0.37 0.01 0.00 -0.00 0.00 0.00 33.47 33.75 2i03 s TRP 168 CO -0.01 -0.39 0.30 0.09 -0.00 0.00 0.00 176.95 176.95 2i03 n ASN 169 N 3.97 -5.33 -0.27 5.86 5.03 -1.26 -1.29 115.26 121.96 2i03 n ASN 169 Ca -0.20 -0.14 -0.04 0.00 0.87 0.00 0.00 54.58 55.08 2i03 n ASN 169 Cb 0.57 -4.39 -0.02 0.00 -1.02 0.00 0.00 39.78 34.92 2i03 n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2i03 n ASN 170 N -2.21 -4.47 -4.46 6.41 5.03 -1.26 -4.30 115.26 110.00 2i03 n ASN 170 Ca -0.15 0.09 -0.29 0.00 0.87 0.00 0.00 54.58 55.10 2i03 n ASN 170 Cb 0.63 -2.28 -0.12 0.00 -1.02 0.00 0.00 39.78 36.99 2i03 n ASN 170 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2i03 s ASP 171 N -2.29 3.68 -0.06 6.41 1.01 -0.41 -2.20 116.67 122.80 2i03 s ASP 171 Ca 0.00 -0.67 -0.17 0.00 0.71 0.00 0.00 52.55 52.42 2i03 s ASP 171 Cb 0.00 -0.42 -0.05 0.00 1.01 0.00 0.00 42.92 43.46 2i03 s ASP 171 CO 0.00 0.16 0.46 -0.63 0.21 0.00 0.00 175.17 175.37 2i03 s ILE 172 N -1.25 5.09 0.02 0.77 1.01 -1.26 -1.17 121.20 124.41 2i03 s ILE 172 Ca 0.18 0.93 0.04 0.00 0.00 0.00 0.00 60.65 61.80 2i03 s ILE 172 Cb -0.10 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 2i03 s ILE 172 CO 0.09 0.44 -0.13 -0.31 0.00 0.00 0.00 174.94 175.03 2i03 s TYR 173 N -0.16 1.19 -0.02 3.97 1.51 0.91 -0.46 117.35 124.28 2i03 s TYR 173 Ca 0.25 -0.29 0.08 0.00 -1.01 0.00 0.00 57.07 56.09 2i03 s TYR 173 Cb -0.16 -0.73 -0.02 0.00 -0.11 0.00 0.00 41.96 40.94 2i03 s TYR 173 CO 0.12 0.01 -0.26 0.08 -1.11 0.00 0.00 175.55 174.39 2i03 s VAL 174 N -0.61 2.08 -0.26 0.71 1.01 -0.61 -0.52 120.40 122.19 2i03 s VAL 174 Ca 0.03 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.92 2i03 s VAL 174 Cb -0.07 -1.72 0.07 0.00 0.00 0.00 0.00 36.38 34.67 2i03 s VAL 174 CO 0.00 0.58 0.01 -0.75 0.00 0.00 0.00 175.10 174.94 2i03 s LYS 175 N -0.57 1.27 0.33 2.72 2.20 0.36 -0.28 119.74 125.77 2i03 s LYS 175 Ca 0.09 -1.06 0.12 0.00 -0.36 0.00 0.00 55.97 54.75 2i03 s LYS 175 Cb -0.10 -2.47 0.57 0.00 -1.51 0.00 0.00 37.83 34.31 2i03 s LYS 175 CO -0.00 -0.74 1.73 0.82 -0.36 0.00 0.00 175.35 176.80 2i03 h ILE 176 N 6.60 1.33 -3.93 5.43 2.04 -1.84 0.38 117.51 127.52 2i03 h ILE 176 Ca -0.15 -1.64 -0.42 0.00 1.00 0.00 0.00 64.86 63.66 2i03 h ILE 176 Cb 1.06 1.88 -0.30 0.00 -0.74 0.00 0.00 36.82 38.72 2i03 h ILE 176 CO 0.43 0.47 -0.79 -1.61 0.00 0.00 0.00 178.15 176.65 2i03 s GLU 177 N -3.93 0.89 0.28 2.37 0.41 -1.26 -4.32 118.70 113.13 2i03 s GLU 177 Ca -0.02 -0.33 -0.05 0.00 -0.41 0.00 0.00 54.97 54.16 2i03 s GLU 177 Cb 0.14 -0.84 0.53 0.00 -1.78 0.00 0.00 34.13 32.18 2i03 s GLU 177 CO 0.74 0.16 1.59 -1.35 -0.49 0.00 0.00 175.26 175.91 2i03 h PRO 178 N 6.15 0.02 -0.01 0.39 0.11 -1.84 -1.16 132.00 135.67 2i03 h PRO 178 Ca -0.32 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2i03 h PRO 178 Cb 1.17 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2i03 h PRO 178 CO 0.49 0.02 -0.30 0.27 -0.21 0.00 0.00 178.00 178.27 2i03 n ASN 179 N -5.50 1.05 -4.87 -2.05 6.94 -1.26 -4.85 115.26 104.72 2i03 n ASN 179 Ca 0.17 -0.88 -0.31 0.00 -0.02 0.00 0.00 54.58 53.54 2i03 n ASN 179 Cb 0.56 0.18 -0.02 0.00 -2.36 0.00 0.00 39.78 38.14 2i03 n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2i03 s LEU 180 N -2.54 3.60 0.82 -4.53 1.02 -0.44 -4.55 118.68 112.05 2i03 s LEU 180 Ca 0.23 1.32 -0.12 0.00 0.02 0.00 0.00 54.13 55.57 2i03 s LEU 180 Cb 0.19 -4.27 0.09 0.00 0.02 0.00 0.00 46.19 42.22 2i03 s LEU 180 CO 0.54 -0.59 1.18 -2.84 0.02 0.00 0.00 176.35 174.66 2i03 s PRO 181 N -4.33 1.62 0.45 1.29 0.02 -1.26 -4.80 135.00 127.99 2i03 s PRO 181 Ca 0.54 1.64 -0.05 0.00 0.02 0.00 0.00 61.00 63.15 2i03 s PRO 181 Cb -0.10 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 2i03 s PRO 181 CO 0.38 -2.20 0.75 -1.12 -0.33 0.00 0.00 177.00 174.47 2i03 s SER 182 N -2.39 6.31 -0.24 2.53 0.01 -1.26 -4.70 113.70 113.96 2i03 s SER 182 Ca 0.70 0.89 -0.03 0.00 1.31 0.00 0.00 55.95 58.83 2i03 s SER 182 Cb -0.26 -2.23 0.01 0.00 0.21 0.00 0.00 66.02 63.75 2i03 s SER 182 CO 0.52 -0.51 -0.04 -0.31 0.41 0.00 0.00 173.24 173.31 2i03 s TYR 183 N -2.62 3.01 -0.12 2.43 2.02 0.61 -4.94 117.35 117.75 2i03 s TYR 183 Ca 0.47 -1.24 -0.29 0.00 -0.37 0.00 0.00 57.07 55.63 2i03 s TYR 183 Cb -0.10 -2.09 -0.02 0.00 -0.40 0.00 0.00 41.96 39.34 2i03 s TYR 183 CO 0.42 -0.64 1.21 0.50 -1.57 0.00 0.00 175.55 175.46 2i03 s ARG 184 N 1.41 4.29 -0.07 -0.62 3.52 -1.26 -1.57 118.95 124.64 2i03 s ARG 184 Ca 0.03 1.63 0.08 0.00 -0.13 0.00 0.00 55.73 57.34 2i03 s ARG 184 Cb -0.15 -3.66 -0.24 0.00 -1.56 0.00 0.00 34.95 29.34 2i03 s ARG 184 CO -0.04 -0.58 0.55 -0.89 -0.81 0.00 0.00 175.30 173.53 2i03 n ILE 185 N 5.03 1.64 -4.13 4.11 2.08 0.39 -4.42 119.36 124.06 2i03 n ILE 185 Ca 0.12 -0.76 -0.16 0.00 0.56 0.00 0.00 62.75 62.51 2i03 n ILE 185 Cb 0.46 -1.17 -0.12 0.00 -0.75 0.00 0.00 39.64 38.06 2i03 n ILE 185 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2i03 s THR 186 N -2.58 0.88 0.00 1.39 -1.32 -1.20 -4.79 115.64 108.02 2i03 s THR 186 Ca -0.09 -1.25 0.00 0.00 -1.21 0.00 0.00 61.69 59.14 2i03 s THR 186 Cb 0.08 -0.92 0.00 0.00 -1.51 0.00 0.00 72.50 70.15 2i03 s THR 186 CO 0.81 -0.31 0.24 0.79 -2.21 0.00 0.00 174.62 173.94 2i03 n TRP 187 N 1.29 0.00 1.14 9.09 7.02 -1.26 -4.46 117.44 130.26 2i03 n TRP 187 Ca -0.21 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.40 2i03 n TRP 187 Cb 0.55 0.00 0.46 0.00 -2.42 0.00 0.00 31.31 29.89 2i03 n TRP 187 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2i03 n THR 188 N -0.25 0.00 -1.58 -0.99 -2.24 -1.26 -4.94 114.28 103.02 2i03 n THR 188 Ca 0.00 -0.03 -0.51 0.00 -2.27 0.00 0.00 64.05 61.24 2i03 n THR 188 Cb 0.04 -0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.20 2i03 n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2i03 n GLY 189 N 1.42 0.26 3.28 3.38 0.00 -1.26 -4.69 105.19 107.58 2i03 n GLY 189 Ca 0.09 0.64 -0.08 0.00 0.00 0.00 0.00 46.02 46.67 2i03 n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2i03 s LYS 190 N 0.13 0.33 -0.05 1.61 2.20 -0.74 -4.89 119.74 118.34 2i03 s LYS 190 Ca 0.81 1.05 -0.40 0.00 -0.36 0.00 0.00 55.97 57.06 2i03 s LYS 190 Cb -0.93 0.35 -0.19 0.00 -1.51 0.00 0.00 37.83 35.54 2i03 s LYS 190 CO 0.49 -0.25 1.21 -1.91 -0.36 0.00 0.00 175.35 174.54 2i03 n GLU 191 N 5.37 0.28 -0.71 4.03 2.13 -1.26 -0.55 120.64 129.93 2i03 n GLU 191 Ca -0.09 0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2i03 n GLU 191 Cb 0.50 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.57 2i03 n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2i03 n ASP 192 N 2.14 -1.92 0.06 4.31 8.00 -1.26 -4.69 116.55 123.18 2i03 n ASP 192 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.71 2i03 n ASP 192 Cb 0.09 -2.55 0.00 0.00 -0.02 0.00 0.00 41.12 38.64 2i03 n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2i03 n ILE 193 N -2.04 0.89 -4.39 0.53 2.08 0.28 -4.62 119.36 112.09 2i03 n ILE 193 Ca 0.00 0.29 -0.34 0.00 0.56 0.00 0.00 62.75 63.27 2i03 n ILE 193 Cb 0.15 -1.33 -0.15 0.00 -0.75 0.00 0.00 39.64 37.57 2i03 n ILE 193 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2i03 s ILE 194 N -1.85 2.96 -0.23 1.39 1.09 -0.11 0.99 121.20 125.44 2i03 s ILE 194 Ca 0.00 -0.66 -0.01 0.00 -1.10 0.00 0.00 60.65 58.87 2i03 s ILE 194 Cb 0.00 -2.28 0.02 0.00 -1.06 0.00 0.00 42.46 39.14 2i03 s ILE 194 CO 0.00 0.49 -0.09 -0.31 -0.10 0.00 0.00 174.94 174.94 2i03 s TYR 195 N 0.88 2.98 -0.23 3.97 1.51 0.36 -1.78 117.35 125.04 2i03 s TYR 195 Ca -0.03 -1.44 -0.05 0.00 -1.01 0.00 0.00 57.07 54.54 2i03 s TYR 195 Cb -0.15 -2.04 -0.02 0.00 -0.11 0.00 0.00 41.96 39.65 2i03 s TYR 195 CO -0.00 -0.71 0.00 -0.80 -1.11 0.00 0.00 175.55 172.93 2i03 s ASN 196 N 1.35 4.63 0.00 2.29 0.01 -0.94 -0.09 114.94 122.19 2i03 s ASN 196 Ca 0.02 -0.32 0.00 0.00 -0.71 0.00 0.00 52.86 51.86 2i03 s ASN 196 Cb -0.15 -1.81 0.00 0.00 0.41 0.00 0.00 41.25 39.70 2i03 s ASN 196 CO -0.06 -0.03 0.00 0.61 -1.51 0.00 0.00 177.10 176.11 2i03 n GLY 197 N 4.85 0.71 3.08 0.66 0.00 -0.26 -4.38 105.19 109.86 2i03 n GLY 197 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 2i03 n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2i03 s ILE 198 N -2.96 0.12 0.49 -0.61 -4.36 -1.26 -1.38 121.20 111.24 2i03 s ILE 198 Ca 0.00 -0.96 -0.06 0.00 -0.26 0.00 0.00 60.65 59.36 2i03 s ILE 198 Cb 0.00 -0.65 -0.04 0.00 1.25 0.00 0.00 42.46 43.02 2i03 s ILE 198 CO 0.00 -0.53 0.81 0.42 0.24 0.00 0.00 174.94 175.88 2i03 s THR 199 N -2.05 4.87 0.24 8.37 -4.23 0.11 -4.69 115.64 118.26 2i03 s THR 199 Ca -0.10 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.74 2i03 s THR 199 Cb -0.05 -3.85 0.05 0.00 1.34 0.00 0.00 72.50 69.99 2i03 s THR 199 CO -0.02 -0.85 0.33 -0.90 -0.54 0.00 0.00 174.62 172.64 2i03 n ASP 200 N -2.20 0.46 0.02 3.99 5.75 -1.26 -4.80 116.55 118.50 2i03 n ASP 200 Ca 0.01 -1.38 -0.10 0.00 -0.01 0.00 0.00 54.79 53.31 2i03 n ASP 200 Cb 0.55 -0.21 -0.04 0.00 -1.03 0.00 0.00 41.12 40.39 2i03 n ASP 200 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 2i03 h TRP 201 N -0.44 -0.69 -0.18 2.11 7.01 -2.00 -2.23 115.95 119.54 2i03 h TRP 201 Ca -0.11 0.03 -0.13 0.00 2.11 0.00 0.00 58.89 60.79 2i03 h TRP 201 Cb 0.41 0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 27.77 2i03 h TRP 201 CO 0.00 -0.34 -0.44 -0.24 -2.79 0.00 0.00 178.44 174.63 2i03 h VAL 202 N -0.35 1.31 -0.08 2.65 3.04 -1.95 -2.66 116.25 118.21 2i03 h VAL 202 Ca 0.09 -1.62 -0.13 0.00 -1.01 0.00 0.00 66.70 64.03 2i03 h VAL 202 Cb 0.48 1.66 -0.01 0.00 -2.01 0.00 0.00 31.29 31.40 2i03 h VAL 202 CO -0.28 0.50 -0.53 1.88 -1.01 0.00 0.00 177.57 178.13 2i03 h TYR 203 N 0.35 0.29 -0.07 3.17 -1.99 -1.91 0.26 116.97 117.07 2i03 h TYR 203 Ca 0.03 -0.10 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 2i03 h TYR 203 Cb 0.92 -0.06 -0.00 0.00 2.00 0.00 0.00 36.73 39.59 2i03 h TYR 203 CO 0.03 0.71 0.00 1.49 -0.00 0.00 0.00 178.16 180.39 2i03 h GLU 204 N 0.18 0.13 -0.00 4.88 4.81 -1.28 0.50 114.58 123.79 2i03 h GLU 204 Ca 0.00 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2i03 h GLU 204 Cb 0.99 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.36 2i03 h GLU 204 CO 0.08 0.40 -0.06 1.49 -0.73 0.00 0.00 179.01 180.19 2i03 h GLU 205 N -0.16 0.05 0.00 1.92 4.57 -1.46 -0.57 114.58 118.93 2i03 h GLU 205 Ca 0.02 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2i03 h GLU 205 Cb 0.34 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2i03 h GLU 205 CO 0.00 0.79 -1.50 0.39 -1.18 0.00 0.00 179.01 177.51 2i03 n GLU 206 N -4.68 0.34 0.00 1.92 -0.58 0.07 -4.48 120.64 113.24 2i03 n GLU 206 Ca -0.09 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 2i03 n GLU 206 Cb 0.40 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 2i03 n GLU 206 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2i03 n VAL 207 N -1.90 0.00 0.30 2.62 3.14 -1.07 -4.88 118.33 116.55 2i03 n VAL 207 Ca -0.00 0.00 0.05 0.00 -2.96 0.00 0.00 64.34 61.43 2i03 n VAL 207 Cb 0.45 -0.62 -0.07 0.00 -1.06 0.00 0.00 33.84 32.55 2i03 n VAL 207 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 2i03 n PHE 208 N -1.88 0.00 -3.68 1.45 3.72 0.14 -4.96 117.46 112.26 2i03 n PHE 208 Ca 0.00 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.12 2i03 n PHE 208 Cb 0.38 -0.09 -0.01 0.00 -0.94 0.00 0.00 39.48 38.82 2i03 n PHE 208 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2i03 n SER 209 N -1.48 -3.59 -3.47 4.37 7.64 -0.24 -4.90 113.62 111.94 2i03 n SER 209 Ca 0.00 -0.61 -0.12 0.00 1.01 0.00 0.00 58.87 59.16 2i03 n SER 209 Cb 0.21 -2.96 -0.03 0.00 -1.01 0.00 0.00 64.21 60.42 2i03 n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i03 s ALA 210 N -3.05 -1.47 -0.04 -0.43 0.00 -1.11 -4.97 121.76 110.69 2i03 s ALA 210 Ca 0.53 0.45 0.06 0.00 0.00 0.00 0.00 51.96 52.99 2i03 s ALA 210 Cb -0.28 0.78 -0.24 0.00 0.00 0.00 0.00 23.12 23.37 2i03 s ALA 210 CO 0.65 -0.71 0.69 -0.92 0.00 0.00 0.00 175.76 175.47 2i03 h TYR 211 N 2.17 0.18 -3.88 0.00 3.20 -1.88 -3.37 116.97 113.38 2i03 h TYR 211 Ca -0.33 -0.13 -0.49 0.00 3.14 0.00 0.00 58.73 60.91 2i03 h TYR 211 Cb 1.29 -0.01 0.02 0.00 1.54 0.00 0.00 36.73 39.57 2i03 h TYR 211 CO 0.26 1.22 0.44 -1.54 -1.64 0.00 0.00 178.16 176.91 2i03 s SER 212 N -6.49 7.02 -0.32 -2.11 1.04 -1.26 0.08 113.70 111.66 2i03 s SER 212 Ca -0.08 2.16 0.17 0.00 0.48 0.00 0.00 55.95 58.67 2i03 s SER 212 Cb 0.08 -2.61 0.46 0.00 0.10 0.00 0.00 66.02 64.05 2i03 s SER 212 CO 0.82 -0.31 1.01 0.00 0.98 0.00 0.00 173.24 175.74 2i03 n ALA 213 N 0.60 3.55 -2.93 5.32 0.00 -0.48 -4.63 120.51 121.94 2i03 n ALA 213 Ca 0.02 -3.25 -0.12 0.00 0.00 0.00 0.00 53.44 50.09 2i03 n ALA 213 Cb 0.47 -0.85 -0.13 0.00 0.00 0.00 0.00 19.45 18.94 2i03 n ALA 213 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2i03 s LEU 214 N -3.33 1.83 -0.12 0.00 0.05 -1.26 -0.63 118.68 115.23 2i03 s LEU 214 Ca 0.31 0.05 -0.03 0.00 0.05 0.00 0.00 54.13 54.52 2i03 s LEU 214 Cb 0.42 0.17 0.04 0.00 -2.05 0.00 0.00 46.19 44.78 2i03 s LEU 214 CO -0.01 -0.04 0.04 0.26 -0.55 0.00 0.00 176.35 176.05 2i03 s TRP 215 N -0.10 0.56 0.73 3.48 0.51 0.18 -4.98 118.94 119.32 2i03 s TRP 215 Ca -0.01 -0.31 -0.12 0.00 -2.12 0.00 0.00 56.10 53.53 2i03 s TRP 215 Cb -0.01 -0.78 0.03 0.00 -0.81 0.00 0.00 33.47 31.90 2i03 s TRP 215 CO 0.00 -0.42 1.09 -1.58 -0.51 0.00 0.00 176.95 175.53 2i03 s TRP 216 N 2.01 2.66 0.59 -1.98 0.52 -1.26 -1.11 118.94 120.37 2i03 s TRP 216 Ca 0.03 1.54 -0.06 0.00 0.02 0.00 0.00 56.10 57.62 2i03 s TRP 216 Cb -0.14 -3.06 0.00 0.00 -1.15 0.00 0.00 33.47 29.12 2i03 s TRP 216 CO -0.06 -1.68 0.90 -1.54 0.02 0.00 0.00 176.95 174.59 2i03 s SER 217 N -3.21 5.68 0.27 2.95 1.04 -0.40 -4.88 113.70 115.16 2i03 s SER 217 Ca 0.62 0.79 -0.08 0.00 0.48 0.00 0.00 55.95 57.76 2i03 s SER 217 Cb -0.18 -1.81 0.44 0.00 0.10 0.00 0.00 66.02 64.57 2i03 s SER 217 CO 0.51 -1.02 1.52 -2.65 0.98 0.00 0.00 173.24 172.58 2i03 n PRO 218 N -2.58 -0.10 -0.20 4.02 -0.02 -1.26 -1.47 135.00 133.40 2i03 n PRO 218 Ca 0.04 1.52 0.11 0.00 -2.02 0.00 0.00 63.50 63.15 2i03 n PRO 218 Cb 0.57 -2.27 0.21 0.00 -0.02 0.00 0.00 33.50 31.99 2i03 n PRO 218 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2i03 n ASN 219 N -5.58 3.35 0.00 2.55 0.23 -1.26 -4.38 115.26 110.16 2i03 n ASN 219 Ca 0.15 -1.95 0.00 0.00 -0.53 0.00 0.00 54.58 52.25 2i03 n ASN 219 Cb 0.48 -0.26 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 2i03 n ASN 219 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2i03 n GLY 220 N 1.33 0.92 0.16 4.83 0.00 -0.54 -4.63 105.19 107.26 2i03 n GLY 220 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 2i03 n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2i03 h THR 221 N 0.00 0.71 -2.84 2.61 2.02 -1.94 -3.44 112.91 110.03 2i03 h THR 221 Ca 0.00 0.00 -0.59 0.00 0.77 0.00 0.00 66.41 66.59 2i03 h THR 221 Cb 0.00 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 2i03 h THR 221 CO 0.00 0.00 -0.52 -0.36 0.37 0.00 0.00 175.52 175.01 2i03 s PHE 222 N -6.15 3.37 -0.18 3.16 0.08 -1.26 -0.50 117.98 116.50 2i03 s PHE 222 Ca -0.14 0.13 -0.01 0.00 0.12 0.00 0.00 56.93 57.03 2i03 s PHE 222 Cb 0.08 -1.66 0.05 0.00 -0.57 0.00 0.00 43.02 40.91 2i03 s PHE 222 CO 0.66 0.54 -0.03 -1.17 -0.10 0.00 0.00 175.22 175.12 2i03 s LEU 223 N -2.78 1.69 -0.05 -0.37 2.96 -0.53 -1.28 118.68 118.33 2i03 s LEU 223 Ca 0.33 -0.80 -0.06 0.00 -0.22 0.00 0.00 54.13 53.39 2i03 s LEU 223 Cb -0.12 -0.88 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 2i03 s LEU 223 CO 0.26 -0.22 0.19 0.00 -1.32 0.00 0.00 176.35 175.26 2i03 s ALA 224 N 1.64 3.90 0.20 5.97 0.00 -0.27 -1.80 121.76 131.40 2i03 s ALA 224 Ca -0.01 -0.66 -0.11 0.00 0.00 0.00 0.00 51.96 51.18 2i03 s ALA 224 Cb -0.16 -1.97 -0.00 0.00 0.00 0.00 0.00 23.12 20.98 2i03 s ALA 224 CO -0.07 0.67 0.37 1.52 0.00 0.00 0.00 175.76 178.25 2i03 s TYR 225 N -1.20 0.38 0.16 0.00 1.13 -0.30 0.50 117.35 118.01 2i03 s TYR 225 Ca 0.22 -0.72 0.11 0.00 -1.41 0.00 0.00 57.07 55.27 2i03 s TYR 225 Cb -0.13 0.05 -0.04 0.00 -1.10 0.00 0.00 41.96 40.74 2i03 s TYR 225 CO 0.12 -0.83 -0.23 0.00 -2.51 0.00 0.00 175.55 172.10 2i03 s ALA 226 N -3.99 2.52 -0.07 9.51 0.00 0.20 -1.44 121.76 128.50 2i03 s ALA 226 Ca 0.20 -1.52 0.04 0.00 0.00 0.00 0.00 51.96 50.67 2i03 s ALA 226 Cb 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.71 2i03 s ALA 226 CO 0.04 0.50 -0.19 -1.14 0.00 0.00 0.00 175.76 174.96 2i03 s GLN 227 N -2.37 2.24 -0.08 0.00 0.74 0.44 -1.10 119.66 119.53 2i03 s GLN 227 Ca 0.18 -0.69 0.04 0.00 0.05 0.00 0.00 55.36 54.94 2i03 s GLN 227 Cb -0.09 -1.82 -0.01 0.00 1.10 0.00 0.00 33.01 32.18 2i03 s GLN 227 CO 0.09 0.20 -0.19 -0.06 -0.55 0.00 0.00 175.29 174.78 2i03 s PHE 228 N 0.23 2.61 -0.29 1.67 0.08 0.87 -1.21 117.98 121.94 2i03 s PHE 228 Ca -0.10 -0.58 -0.04 0.00 0.12 0.00 0.00 56.93 56.32 2i03 s PHE 228 Cb -0.15 -1.68 0.03 0.00 -0.57 0.00 0.00 43.02 40.65 2i03 s PHE 228 CO 0.05 -0.13 0.03 1.21 -0.10 0.00 0.00 175.22 176.28 2i03 s ASN 229 N -0.14 4.90 -0.13 1.36 3.84 0.03 -0.49 114.94 124.31 2i03 s ASN 229 Ca -0.03 -0.95 0.17 0.00 0.21 0.00 0.00 52.86 52.26 2i03 s ASN 229 Cb -0.14 -1.79 0.70 0.00 -0.55 0.00 0.00 41.25 39.47 2i03 s ASN 229 CO 0.04 -0.22 1.61 0.47 -2.79 0.00 0.00 177.10 176.21 2i03 n ASP 230 N 4.75 4.72 -0.37 -4.21 9.92 0.28 -2.19 116.55 129.45 2i03 n ASP 230 Ca -0.14 -2.54 -0.07 0.00 -0.53 0.00 0.00 54.79 51.51 2i03 n ASP 230 Cb 0.46 -0.57 -0.05 0.00 -0.64 0.00 0.00 41.12 40.32 2i03 n ASP 230 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2i03 n THR 231 N 0.88 -0.57 -0.36 -3.53 -1.04 -1.25 -2.02 114.28 106.38 2i03 n THR 231 Ca 0.25 2.17 0.10 0.00 -2.04 0.00 0.00 64.05 64.53 2i03 n THR 231 Cb 0.91 -2.74 0.28 0.00 -1.82 0.00 0.00 70.33 66.95 2i03 n THR 231 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2i03 n GLU 232 N -5.20 2.90 -2.22 -2.82 1.02 -1.26 -4.96 120.64 108.10 2i03 n GLU 232 Ca 0.04 -2.53 -0.42 0.00 -0.02 0.00 0.00 57.16 54.23 2i03 n GLU 232 Cb 0.28 -1.53 -0.03 0.00 -0.02 0.00 0.00 31.44 30.14 2i03 n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2i03 s VAL 233 N -1.15 3.76 0.83 2.62 1.01 -0.86 -4.78 120.40 121.84 2i03 s VAL 233 Ca 0.42 1.10 -0.12 0.00 0.00 0.00 0.00 61.98 63.39 2i03 s VAL 233 Cb 0.23 -3.71 0.10 0.00 0.00 0.00 0.00 36.38 33.00 2i03 s VAL 233 CO 0.27 -0.02 1.16 -2.84 0.00 0.00 0.00 175.10 173.67 2i03 s PRO 234 N 2.65 1.56 -0.07 2.72 0.02 -1.26 -4.72 135.00 135.90 2i03 s PRO 234 Ca 0.64 1.58 0.02 0.00 0.02 0.00 0.00 61.00 63.26 2i03 s PRO 234 Cb -0.31 -1.78 -0.03 0.00 0.02 0.00 0.00 34.50 32.40 2i03 s PRO 234 CO 0.26 -2.24 -0.10 -0.51 -0.33 0.00 0.00 177.00 174.08 2i03 s LEU 235 N -6.01 2.96 -0.01 -5.54 1.02 -1.26 -1.59 118.68 108.24 2i03 s LEU 235 Ca 0.69 -0.12 -0.21 0.00 0.02 0.00 0.00 54.13 54.51 2i03 s LEU 235 Cb -0.24 -1.63 -0.05 0.00 0.02 0.00 0.00 46.19 44.28 2i03 s LEU 235 CO 0.53 0.33 0.61 -0.51 0.02 0.00 0.00 176.35 177.33 2i03 s ILE 236 N -0.60 4.92 -0.05 -0.59 1.10 -0.03 -4.85 121.20 121.10 2i03 s ILE 236 Ca 0.09 1.27 0.05 0.00 -0.51 0.00 0.00 60.65 61.56 2i03 s ILE 236 Cb -0.11 -3.95 -0.01 0.00 0.15 0.00 0.00 42.46 38.54 2i03 s ILE 236 CO 0.02 0.40 -0.22 -1.61 -2.11 0.00 0.00 174.94 171.41 2i03 s GLU 237 N -0.06 2.33 0.14 3.50 2.02 -1.26 -1.65 118.70 123.71 2i03 s GLU 237 Ca 0.32 -0.81 -0.14 0.00 0.02 0.00 0.00 54.97 54.36 2i03 s GLU 237 Cb -0.18 -1.97 0.02 0.00 0.10 0.00 0.00 34.13 32.10 2i03 s GLU 237 CO 0.17 0.33 0.38 1.52 0.02 0.00 0.00 175.26 177.68 2i03 s TYR 238 N -0.07 -0.05 0.30 1.61 1.13 -0.67 -4.97 117.35 114.62 2i03 s TYR 238 Ca -0.04 -0.30 -0.17 0.00 -1.41 0.00 0.00 57.07 55.15 2i03 s TYR 238 Cb -0.13 0.19 -0.09 0.00 -1.10 0.00 0.00 41.96 40.83 2i03 s TYR 238 CO 0.03 -0.72 0.74 -1.12 -2.51 0.00 0.00 175.55 171.97 2i03 s SER 239 N -2.85 6.87 -0.12 -0.18 0.01 -1.26 -0.00 113.70 116.16 2i03 s SER 239 Ca 0.06 1.34 -0.01 0.00 1.31 0.00 0.00 55.95 58.66 2i03 s SER 239 Cb 0.02 -2.40 0.03 0.00 0.21 0.00 0.00 66.02 63.88 2i03 s SER 239 CO -0.08 -0.14 -0.06 0.12 0.41 0.00 0.00 173.24 173.48 2i03 s PHE 240 N -1.85 1.46 -0.44 2.43 5.36 -0.11 -4.69 117.98 120.13 2i03 s PHE 240 Ca 0.51 -0.76 0.23 0.00 -0.96 0.00 0.00 56.93 55.95 2i03 s PHE 240 Cb -0.12 -1.21 0.29 0.00 -0.34 0.00 0.00 43.02 41.64 2i03 s PHE 240 CO 0.18 -0.52 1.41 1.88 -1.46 0.00 0.00 175.22 176.71 2i03 h TYR 241 N 8.18 0.00 -0.93 10.12 -1.99 -1.96 -1.89 116.97 128.50 2i03 h TYR 241 Ca -0.28 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.45 2i03 h TYR 241 Cb 1.13 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.86 2i03 h TYR 241 CO 0.47 0.00 0.00 0.45 -0.00 0.00 0.00 178.16 179.08 2i03 n SER 242 N -2.71 -2.79 -4.71 3.88 2.88 -1.26 -4.72 113.62 104.19 2i03 n SER 242 Ca 0.03 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.25 2i03 n SER 242 Cb 0.51 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.10 2i03 n SER 242 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2i03 s ASP 243 N -4.00 3.66 0.34 -3.46 1.01 -1.26 -4.89 116.67 108.06 2i03 s ASP 243 Ca 0.00 2.09 0.11 0.00 0.71 0.00 0.00 52.55 55.46 2i03 s ASP 243 Cb 0.00 -2.56 0.91 0.00 1.01 0.00 0.00 42.92 42.29 2i03 s ASP 243 CO 0.00 -2.61 1.75 -0.08 0.21 0.00 0.00 175.17 174.44 2i03 h GLU 244 N -1.37 0.55 0.00 8.23 4.81 -2.06 -2.07 114.58 122.68 2i03 h GLU 244 Ca -0.44 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2i03 h GLU 244 Cb 1.26 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2i03 h GLU 244 CO 0.46 0.37 0.00 -1.13 -0.73 0.00 0.00 179.01 177.98 2i03 n SER 245 N -4.79 0.09 -4.66 1.04 3.41 -1.26 -4.64 113.62 102.81 2i03 n SER 245 Ca 0.26 0.54 -0.43 0.00 -0.26 0.00 0.00 58.87 58.97 2i03 n SER 245 Cb 0.74 -0.55 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 2i03 n SER 245 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2i03 s LEU 246 N -3.23 4.14 0.02 1.04 0.20 -0.78 -4.91 118.68 115.16 2i03 s LEU 246 Ca 0.02 1.59 -0.20 0.00 0.69 0.00 0.00 54.13 56.23 2i03 s LEU 246 Cb 0.04 -3.54 -0.17 0.00 -0.43 0.00 0.00 46.19 42.09 2i03 s LEU 246 CO 0.11 -0.78 1.25 -0.61 -0.29 0.00 0.00 176.35 176.03 2i03 h GLN 247 N 8.20 0.38 -5.34 1.98 4.15 -1.90 -3.44 115.11 119.14 2i03 h GLN 247 Ca -0.25 -0.27 -0.65 0.00 0.77 0.00 0.00 58.65 58.26 2i03 h GLN 247 Cb 1.10 0.04 -0.24 0.00 0.21 0.00 0.00 27.48 28.59 2i03 h GLN 247 CO 0.98 0.88 -0.71 0.71 -1.93 0.00 0.00 178.83 178.76 2i03 s TYR 248 N -3.88 2.93 0.50 3.99 1.51 -1.26 -5.10 117.35 116.04 2i03 s TYR 248 Ca -0.14 -0.44 -0.23 0.00 -1.01 0.00 0.00 57.07 55.26 2i03 s TYR 248 Cb 0.05 -1.90 -0.06 0.00 -0.11 0.00 0.00 41.96 39.93 2i03 s TYR 248 CO 0.78 -0.10 1.29 -2.14 -1.11 0.00 0.00 175.55 174.27 2i03 s PRO 249 N 0.31 3.46 0.21 -1.71 0.02 -1.26 -5.01 135.00 131.02 2i03 s PRO 249 Ca -0.07 2.07 -0.00 0.00 0.02 0.00 0.00 61.00 63.02 2i03 s PRO 249 Cb -0.15 -2.37 -0.04 0.00 0.02 0.00 0.00 34.50 31.96 2i03 s PRO 249 CO 0.04 -0.89 0.40 -1.59 -0.33 0.00 0.00 177.00 174.63 2i03 s LYS 250 N -2.75 3.51 -0.24 5.54 -2.85 -0.71 -4.92 119.74 117.32 2i03 s LYS 250 Ca 0.67 -0.37 -0.08 0.00 -1.00 0.00 0.00 55.97 55.20 2i03 s LYS 250 Cb -0.36 -2.83 -0.03 0.00 -2.06 0.00 0.00 37.83 32.55 2i03 s LYS 250 CO 0.44 0.39 0.08 0.99 0.10 0.00 0.00 175.35 177.34 2i03 s THR 251 N -1.90 4.48 -0.20 3.79 2.01 -1.26 -0.94 115.64 121.62 2i03 s THR 251 Ca 0.38 -0.12 -0.17 0.00 0.31 0.00 0.00 61.69 62.09 2i03 s THR 251 Cb -0.11 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 2i03 s THR 251 CO 0.29 0.35 0.47 -0.69 -0.69 0.00 0.00 174.62 174.35 2i03 s VAL 252 N 1.43 5.14 -0.09 3.82 1.01 1.00 -4.92 120.40 127.80 2i03 s VAL 252 Ca 0.06 0.85 0.03 0.00 0.00 0.00 0.00 61.98 62.91 2i03 s VAL 252 Cb -0.15 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.44 2i03 s VAL 252 CO 0.04 0.21 -0.19 0.00 0.00 0.00 0.00 175.10 175.15 2i03 s ARG 253 N 1.52 2.53 -0.02 2.72 3.03 -1.26 -1.68 118.95 125.80 2i03 s ARG 253 Ca 0.22 -0.70 -0.02 0.00 2.03 0.00 0.00 55.73 57.26 2i03 s ARG 253 Cb -0.15 -1.96 0.00 0.00 -1.03 0.00 0.00 34.95 31.81 2i03 s ARG 253 CO 0.09 0.12 0.05 0.54 -1.13 0.00 0.00 175.30 174.97 2i03 s VAL 254 N 0.46 0.00 -0.23 4.99 0.11 -0.66 -4.95 120.40 120.13 2i03 s VAL 254 Ca -0.17 -0.03 -0.28 0.00 -2.93 0.00 0.00 61.98 58.57 2i03 s VAL 254 Cb -0.17 -0.08 -0.04 0.00 -1.53 0.00 0.00 36.38 34.56 2i03 s VAL 254 CO 0.07 -0.01 2.02 -2.84 -3.33 0.00 0.00 175.10 171.00 2i03 s PRO 255 N -0.02 3.35 -0.15 1.54 0.02 -1.26 -0.85 135.00 137.63 2i03 s PRO 255 Ca -0.00 1.88 -0.04 0.00 0.02 0.00 0.00 61.00 62.85 2i03 s PRO 255 Cb -0.01 -4.27 0.07 0.00 0.02 0.00 0.00 34.50 30.31 2i03 s PRO 255 CO 0.00 -1.85 0.17 -0.47 -0.33 0.00 0.00 177.00 174.52 2i03 s TYR 256 N 7.24 -0.13 -0.35 6.54 6.14 -0.62 -4.43 117.35 131.75 2i03 s TYR 256 Ca 0.91 0.24 -0.23 0.00 0.64 0.00 0.00 57.07 58.63 2i03 s TYR 256 Cb -0.30 -0.40 0.01 0.00 0.42 0.00 0.00 41.96 41.68 2i03 s TYR 256 CO 0.35 -0.46 0.75 -1.25 0.64 0.00 0.00 175.55 175.58 2i03 s PRO 257 N 2.27 3.77 0.64 4.97 0.04 -1.26 -4.55 135.00 140.88 2i03 s PRO 257 Ca 0.04 0.30 -0.09 0.00 0.04 0.00 0.00 61.00 61.29 2i03 s PRO 257 Cb -0.14 -3.79 -0.00 0.00 0.04 0.00 0.00 34.50 30.60 2i03 s PRO 257 CO -0.09 -0.79 1.00 0.15 0.04 0.00 0.00 177.00 177.30 2i03 s LYS 258 N 2.99 3.07 0.10 4.56 1.02 -1.26 -0.16 119.74 130.06 2i03 s LYS 258 Ca 0.30 0.35 -0.36 0.00 0.02 0.00 0.00 55.97 56.28 2i03 s LYS 258 Cb -0.14 -2.14 -0.17 0.00 -0.52 0.00 0.00 37.83 34.86 2i03 s LYS 258 CO 0.16 -0.78 1.15 0.00 -0.92 0.00 0.00 175.35 174.96 2i03 n ALA 259 N -2.77 -1.81 -0.27 5.17 0.00 0.04 -1.12 120.51 119.76 2i03 n ALA 259 Ca 0.05 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2i03 n ALA 259 Cb 0.57 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.08 2i03 n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i03 n GLY 260 N 2.05 2.25 3.95 0.00 0.00 -1.26 -4.88 105.19 107.29 2i03 n GLY 260 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 2i03 n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i03 s ALA 261 N -3.19 2.77 -0.09 4.61 0.00 -0.28 -5.00 121.76 120.58 2i03 s ALA 261 Ca 0.00 -1.27 -0.30 0.00 0.00 0.00 0.00 51.96 50.39 2i03 s ALA 261 Cb 0.00 -2.56 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 2i03 s ALA 261 CO 0.00 -1.99 1.44 0.08 0.00 0.00 0.00 175.76 175.29 2i03 s VAL 262 N -3.59 3.90 0.52 0.00 1.01 -1.26 -4.92 120.40 116.06 2i03 s VAL 262 Ca 0.69 1.14 -0.05 0.00 0.00 0.00 0.00 61.98 63.77 2i03 s VAL 262 Cb -0.06 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 2i03 s VAL 262 CO 0.49 -0.08 0.82 0.20 0.00 0.00 0.00 175.10 176.53 2i03 s ASN 263 N 2.45 5.92 0.73 3.32 0.01 -1.26 -4.45 114.94 121.66 2i03 s ASN 263 Ca 0.64 0.75 -0.11 0.00 -0.71 0.00 0.00 52.86 53.42 2i03 s ASN 263 Cb -0.28 -1.92 0.03 0.00 0.41 0.00 0.00 41.25 39.49 2i03 s ASN 263 CO 0.23 -0.80 1.07 -2.16 -1.51 0.00 0.00 177.10 173.93 2i03 s PRO 264 N -4.82 2.67 0.20 -0.60 0.04 -1.26 -4.82 135.00 126.41 2i03 s PRO 264 Ca 0.50 0.81 0.08 0.00 0.04 0.00 0.00 61.00 62.43 2i03 s PRO 264 Cb -0.10 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 2i03 s PRO 264 CO 0.44 -1.25 0.02 0.95 0.04 0.00 0.00 177.00 177.19 2i03 s THR 265 N -3.11 3.72 0.10 1.26 -4.23 -0.93 -4.92 115.64 107.53 2i03 s THR 265 Ca 0.59 -1.55 0.05 0.00 -1.18 0.00 0.00 61.69 59.60 2i03 s THR 265 Cb -0.14 -2.91 -0.03 0.00 1.34 0.00 0.00 72.50 70.76 2i03 s THR 265 CO 0.55 -0.20 -0.14 0.54 -0.54 0.00 0.00 174.62 174.83 2i03 s VAL 266 N -1.92 1.23 -0.00 2.29 0.11 -1.26 -0.79 120.40 120.05 2i03 s VAL 266 Ca 0.29 -1.55 0.00 0.00 -2.93 0.00 0.00 61.98 57.79 2i03 s VAL 266 Cb -0.08 -1.34 0.00 0.00 -1.53 0.00 0.00 36.38 33.43 2i03 s VAL 266 CO 0.19 -0.34 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.08 2i03 s LYS 267 N -2.30 0.07 -0.08 1.54 1.02 -0.35 -4.97 119.74 114.67 2i03 s LYS 267 Ca 0.04 -0.01 -0.01 0.00 0.02 0.00 0.00 55.97 56.02 2i03 s LYS 267 Cb -0.07 -0.10 -0.03 0.00 -0.52 0.00 0.00 37.83 37.11 2i03 s LYS 267 CO 0.02 -0.00 -0.04 0.12 -0.92 0.00 0.00 175.35 174.54 2i03 s PHE 268 N 0.10 3.04 0.06 3.18 5.36 -1.26 -0.42 117.98 128.04 2i03 s PHE 268 Ca -0.01 0.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.05 2i03 s PHE 268 Cb -0.02 -1.75 -0.04 0.00 -0.34 0.00 0.00 43.02 40.87 2i03 s PHE 268 CO -0.00 0.37 -0.05 -0.06 -1.46 0.00 0.00 175.22 174.02 2i03 s PHE 269 N -0.79 0.61 -0.02 10.12 0.40 -0.52 -1.66 117.98 126.13 2i03 s PHE 269 Ca 0.12 -0.88 0.01 0.00 -0.60 0.00 0.00 56.93 55.58 2i03 s PHE 269 Cb -0.11 -0.40 0.01 0.00 0.51 0.00 0.00 43.02 43.03 2i03 s PHE 269 CO 0.02 -0.25 -0.02 0.08 0.70 0.00 0.00 175.22 175.75 2i03 s VAL 270 N -3.19 0.29 0.04 -0.44 1.01 0.19 -1.16 120.40 117.14 2i03 s VAL 270 Ca 0.03 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.00 2i03 s VAL 270 Cb 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 2i03 s VAL 270 CO -0.06 0.13 -0.14 0.54 0.00 0.00 0.00 175.10 175.57 2i03 s VAL 271 N 0.48 1.06 -0.29 2.92 0.11 -0.74 -0.16 120.40 123.77 2i03 s VAL 271 Ca -0.05 -1.02 -0.19 0.00 -2.93 0.00 0.00 61.98 57.79 2i03 s VAL 271 Cb -0.08 -0.98 -0.02 0.00 -1.53 0.00 0.00 36.38 33.77 2i03 s VAL 271 CO -0.01 -0.04 0.57 0.21 -3.33 0.00 0.00 175.10 172.50 2i03 s ASN 272 N -1.21 6.46 0.00 3.54 3.04 -1.26 -1.46 114.94 124.05 2i03 s ASN 272 Ca 0.01 0.44 0.13 0.00 0.04 0.00 0.00 52.86 53.47 2i03 s ASN 272 Cb -0.08 -2.30 0.64 0.00 -1.54 0.00 0.00 41.25 37.96 2i03 s ASN 272 CO 0.01 -0.39 1.43 0.35 -3.04 0.00 0.00 177.10 175.46 2i03 n THR 273 N 5.29 0.08 -0.07 -5.21 -2.24 0.35 -3.44 114.28 109.04 2i03 n THR 273 Ca -0.03 -0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.56 2i03 n THR 273 Cb 0.49 -0.05 -0.09 0.00 -2.10 0.00 0.00 70.33 68.58 2i03 n THR 273 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2i03 n ASP 274 N -0.39 2.10 -1.46 3.42 8.00 -1.26 -4.48 116.55 122.48 2i03 n ASP 274 Ca 0.10 -0.04 -0.09 0.00 0.71 0.00 0.00 54.79 55.47 2i03 n ASP 274 Cb 0.11 0.37 0.06 0.00 -0.02 0.00 0.00 41.12 41.63 2i03 n ASP 274 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2i03 n SER 275 N -2.71 3.57 -4.42 -2.24 7.64 -1.22 -4.84 113.62 109.40 2i03 n SER 275 Ca -0.25 -2.58 -0.39 0.00 1.01 0.00 0.00 58.87 56.65 2i03 n SER 275 Cb 0.89 -0.67 -0.12 0.00 -1.01 0.00 0.00 64.21 63.31 2i03 n SER 275 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2i03 s LEU 276 N -1.14 4.19 0.00 -3.43 2.34 -1.26 -4.92 118.68 114.47 2i03 s LEU 276 Ca 0.20 -0.62 0.00 0.00 0.06 0.00 0.00 54.13 53.77 2i03 s LEU 276 Cb 0.16 -2.00 0.00 0.00 -0.56 0.00 0.00 46.19 43.80 2i03 s LEU 276 CO 0.03 -0.23 0.00 -1.54 -1.06 0.00 0.00 176.35 173.56 2i03 n SER 277 N 4.97 0.00 0.00 1.48 3.41 -1.26 -5.02 113.62 117.20 2i03 n SER 277 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2i03 n SER 277 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2i03 n SER 277 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2i03 n SER 278 N 0.00 0.00 0.00 4.04 3.41 -1.26 -4.92 113.62 114.89 2i03 n SER 278 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2i03 n SER 278 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2i03 n SER 278 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2i03 n VAL 279 N 0.00 0.00 -4.40 -3.33 0.31 -1.26 -5.07 118.33 104.58 2i03 n VAL 279 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 2i03 n VAL 279 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 2i03 n VAL 279 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2i03 s THR 280 N -0.06 3.96 -0.00 2.52 2.01 -1.26 -5.08 115.64 117.73 2i03 s THR 280 Ca 0.00 -0.58 -0.30 0.00 0.31 0.00 0.00 61.69 61.12 2i03 s THR 280 Cb 0.00 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 2i03 s THR 280 CO 0.00 0.45 1.17 0.20 -0.69 0.00 0.00 174.62 175.75 2i03 s ASN 281 N -1.31 7.11 0.55 3.53 0.01 -1.26 -4.56 114.94 119.01 2i03 s ASN 281 Ca 0.17 1.87 -0.18 0.00 -0.71 0.00 0.00 52.86 54.01 2i03 s ASN 281 Cb -0.11 -2.57 -0.10 0.00 0.41 0.00 0.00 41.25 38.88 2i03 s ASN 281 CO 0.07 -0.49 0.42 0.00 -1.51 0.00 0.00 177.10 175.59 2i03 n ALA 282 N 4.50 -1.46 -3.22 0.60 0.00 -1.26 -4.95 120.51 114.72 2i03 n ALA 282 Ca 0.09 -0.01 -0.36 0.00 0.00 0.00 0.00 53.44 53.16 2i03 n ALA 282 Cb 0.47 -1.76 -0.13 0.00 0.00 0.00 0.00 19.45 18.03 2i03 n ALA 282 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2i03 s THR 283 N -1.75 3.95 -0.21 0.00 2.01 -1.26 -5.02 115.64 113.36 2i03 s THR 283 Ca 0.67 -0.30 -0.08 0.00 0.31 0.00 0.00 61.69 62.29 2i03 s THR 283 Cb -0.46 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 2i03 s THR 283 CO 0.56 0.38 0.07 -0.44 -0.69 0.00 0.00 174.62 174.50 2i03 s SER 284 N 1.50 5.51 -0.20 3.53 0.01 -1.26 -4.46 113.70 118.33 2i03 s SER 284 Ca 0.06 -0.00 -0.18 0.00 1.31 0.00 0.00 55.95 57.13 2i03 s SER 284 Cb -0.15 -1.96 -0.03 0.00 0.21 0.00 0.00 66.02 64.09 2i03 s SER 284 CO 0.01 0.10 0.52 -0.63 0.41 0.00 0.00 173.24 173.66 2i03 s ILE 285 N 0.79 5.10 0.01 1.44 1.09 0.77 -4.84 121.20 125.56 2i03 s ILE 285 Ca 0.04 0.95 -0.23 0.00 -1.10 0.00 0.00 60.65 60.31 2i03 s ILE 285 Cb -0.13 -3.84 -0.05 0.00 -1.06 0.00 0.00 42.46 37.37 2i03 s ILE 285 CO 0.02 0.17 0.70 -1.58 -0.10 0.00 0.00 174.94 174.15 2i03 s GLN 286 N 1.69 4.42 -0.19 2.79 0.74 -1.26 -0.64 119.66 127.22 2i03 s GLN 286 Ca 0.24 0.92 -0.05 0.00 0.05 0.00 0.00 55.36 56.52 2i03 s GLN 286 Cb -0.15 -3.37 -0.03 0.00 1.10 0.00 0.00 33.01 30.56 2i03 s GLN 286 CO 0.10 0.29 -0.01 0.42 -0.55 0.00 0.00 175.29 175.53 2i03 s ILE 287 N -0.00 3.95 0.00 -2.34 1.01 -0.66 -4.91 121.20 118.25 2i03 s ILE 287 Ca 0.36 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.68 2i03 s ILE 287 Cb -0.19 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.51 2i03 s ILE 287 CO 0.20 0.45 0.00 0.35 0.00 0.00 0.00 174.94 175.94 2i03 n THR 288 N 4.02 0.00 -0.60 2.92 -2.24 -1.26 -4.03 114.28 113.10 2i03 n THR 288 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2i03 n THR 288 Cb 0.52 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 2i03 n THR 288 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i03 n ALA 289 N -3.00 0.00 -1.05 6.98 0.00 -1.26 -5.00 120.51 117.18 2i03 n ALA 289 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2i03 n ALA 289 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 2i03 n ALA 289 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2i03 s PRO 290 N 0.00 1.08 0.43 0.00 0.04 -1.26 -4.88 135.00 130.41 2i03 s PRO 290 Ca 0.00 0.98 0.09 0.00 0.04 0.00 0.00 61.00 62.10 2i03 s PRO 290 Cb 0.00 -1.78 0.93 0.00 0.04 0.00 0.00 34.50 33.69 2i03 s PRO 290 CO 0.00 -2.41 2.07 0.00 0.04 0.00 0.00 177.00 176.71 2i03 h ALA 291 N -1.68 1.76 0.00 8.56 0.00 -1.98 0.07 119.26 125.99 2i03 h ALA 291 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2i03 h ALA 291 Cb 1.28 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2i03 h ALA 291 CO 0.52 0.22 0.00 -1.13 0.00 0.00 0.00 179.25 178.86 2i03 n SER 292 N -4.48 0.00 -0.13 0.00 3.41 -1.26 -2.70 113.62 108.46 2i03 n SER 292 Ca 0.02 0.47 -0.27 0.00 -0.26 0.00 0.00 58.87 58.84 2i03 n SER 292 Cb 0.07 -0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 63.44 2i03 n SER 292 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2i03 n MET 293 N -1.49 0.54 0.21 4.33 0.00 -0.16 -4.48 117.12 116.07 2i03 n MET 293 Ca 0.04 0.24 0.13 0.00 0.00 0.00 0.00 57.70 58.11 2i03 n MET 293 Cb 0.20 -1.40 0.67 0.00 0.00 0.00 0.00 33.22 32.69 2i03 n MET 293 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2i03 h LEU 294 N -0.91 0.00 -2.46 -0.89 3.38 -1.06 -2.40 115.31 110.96 2i03 h LEU 294 Ca -0.64 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.34 2i03 h LEU 294 Cb 1.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.30 2i03 h LEU 294 CO -0.39 0.00 0.05 0.16 0.09 0.00 0.00 178.44 178.36 2i03 h ILE 295 N 0.00 0.45 -0.97 1.22 3.07 -1.73 -3.46 117.51 116.08 2i03 h ILE 295 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 2i03 h ILE 295 Cb 0.17 0.96 0.00 0.00 -0.27 0.00 0.00 36.82 37.67 2i03 h ILE 295 CO 0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 2i03 n GLY 296 N -1.31 3.28 3.76 0.16 0.00 -0.90 -5.14 105.19 105.03 2i03 n GLY 296 Ca -0.02 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 2i03 n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2i03 s ASP 297 N 1.88 6.69 0.34 1.61 1.01 -1.26 -4.94 116.67 121.99 2i03 s ASP 297 Ca 0.00 2.69 -0.05 0.00 0.71 0.00 0.00 52.55 55.91 2i03 s ASP 297 Cb 0.00 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.30 2i03 s ASP 297 CO 0.00 -0.64 0.51 -1.38 0.21 0.00 0.00 175.17 173.87 2i03 s HIS 298 N -0.55 0.90 0.13 4.23 -3.43 -1.26 -0.49 115.29 114.82 2i03 s HIS 298 Ca 0.54 -1.19 0.00 0.00 -0.80 0.00 0.00 55.06 53.62 2i03 s HIS 298 Cb -0.41 0.04 -0.04 0.00 -1.43 0.00 0.00 32.58 30.74 2i03 s HIS 298 CO 0.49 -1.17 0.01 0.71 -2.00 0.00 0.00 174.74 172.78 2i03 s TYR 299 N -3.07 0.95 -0.32 0.38 2.02 0.13 -4.78 117.35 112.66 2i03 s TYR 299 Ca 0.28 -1.09 -0.07 0.00 -0.37 0.00 0.00 57.07 55.82 2i03 s TYR 299 Cb -0.01 -0.55 0.02 0.00 -0.40 0.00 0.00 41.96 41.02 2i03 s TYR 299 CO 0.18 -0.34 0.11 -1.17 -1.57 0.00 0.00 175.55 172.77 2i03 s LEU 300 N -3.08 4.17 0.00 -1.29 2.96 -1.26 -1.45 118.68 118.73 2i03 s LEU 300 Ca 0.20 -0.90 0.10 0.00 -0.22 0.00 0.00 54.13 53.30 2i03 s LEU 300 Cb 0.07 -1.90 0.18 0.00 0.50 0.00 0.00 46.19 45.04 2i03 s LEU 300 CO 0.00 -0.27 1.04 0.00 -1.32 0.00 0.00 176.35 175.80 2i03 s ASP 302 N -0.92 -0.07 -0.05 0.00 -1.08 -1.20 -4.88 116.67 108.47 2i03 s ASP 302 Ca 0.16 0.13 0.00 0.00 -0.52 0.00 0.00 52.55 52.33 2i03 s ASP 302 Cb 0.09 0.43 0.02 0.00 -1.46 0.00 0.00 42.92 42.01 2i03 s ASP 302 CO 0.13 -0.02 -0.02 0.54 0.52 0.00 0.00 175.17 176.32 2i03 s VAL 303 N 0.37 0.40 -0.05 1.11 0.11 -1.26 -0.34 120.40 120.73 2i03 s VAL 303 Ca 0.02 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.06 2i03 s VAL 303 Cb -0.04 -0.48 0.03 0.00 -1.53 0.00 0.00 36.38 34.36 2i03 s VAL 303 CO -0.14 0.22 0.08 -0.89 -3.33 0.00 0.00 175.10 171.04 2i03 s THR 304 N 1.26 -0.13 0.04 5.04 2.01 0.17 -5.00 115.64 119.03 2i03 s THR 304 Ca -0.06 0.37 -0.30 0.00 0.31 0.00 0.00 61.69 62.01 2i03 s THR 304 Cb -0.13 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 72.15 2i03 s THR 304 CO -0.02 0.16 1.14 0.26 -0.69 0.00 0.00 174.62 175.47 2i03 s TRP 305 N 2.00 3.48 -0.14 4.92 0.52 -1.26 0.12 118.94 128.58 2i03 s TRP 305 Ca 0.02 1.40 -0.08 0.00 0.02 0.00 0.00 56.10 57.45 2i03 s TRP 305 Cb -0.12 -3.35 -0.03 0.00 -1.15 0.00 0.00 33.47 28.82 2i03 s TRP 305 CO -0.04 -0.96 -0.12 0.00 0.02 0.00 0.00 176.95 175.85 2i03 h ALA 306 N 6.84 0.01 -3.30 0.98 0.00 -0.06 -3.47 119.26 120.27 2i03 h ALA 306 Ca -0.41 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.05 2i03 h ALA 306 Cb 1.21 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2i03 h ALA 306 CO 0.80 0.42 0.00 0.25 0.00 0.00 0.00 179.25 180.72 2i03 n THR 307 N -4.64 0.00 0.32 0.00 -2.24 -0.94 -4.69 114.28 102.09 2i03 n THR 307 Ca -0.07 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.86 2i03 n THR 307 Cb 0.24 0.00 0.57 0.00 -2.10 0.00 0.00 70.33 69.04 2i03 n THR 307 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2i03 h GLN 308 N 0.00 0.00 0.00 -0.78 1.08 -1.97 -3.24 115.11 110.20 2i03 h GLN 308 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2i03 h GLN 308 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2i03 h GLN 308 CO 0.00 0.00 -0.31 0.39 -0.95 0.00 0.00 178.83 177.96 2i03 n GLU 309 N -2.83 0.46 -3.97 1.46 1.02 -1.26 -4.86 120.64 110.66 2i03 n GLU 309 Ca 0.02 -1.43 -0.23 0.00 -0.02 0.00 0.00 57.16 55.49 2i03 n GLU 309 Cb 0.32 -0.80 -0.17 0.00 -0.02 0.00 0.00 31.44 30.77 2i03 n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2i03 s ARG 310 N -0.85 1.02 -0.01 3.49 3.52 -1.22 -0.95 118.95 123.94 2i03 s ARG 310 Ca 0.09 -0.09 0.05 0.00 -0.13 0.00 0.00 55.73 55.65 2i03 s ARG 310 Cb 0.08 -1.16 -0.01 0.00 -1.56 0.00 0.00 34.95 32.30 2i03 s ARG 310 CO 0.01 -0.21 -0.17 -1.50 -0.81 0.00 0.00 175.30 172.61 2i03 s ILE 311 N 1.54 1.34 -0.02 4.11 2.07 -0.52 0.71 121.20 130.43 2i03 s ILE 311 Ca -0.00 -0.76 0.01 0.00 -1.41 0.00 0.00 60.65 58.49 2i03 s ILE 311 Cb -0.13 -1.12 -0.03 0.00 0.13 0.00 0.00 42.46 41.31 2i03 s ILE 311 CO -0.04 0.35 -0.01 -0.94 -1.91 0.00 0.00 174.94 172.38 2i03 s SER 312 N -0.47 5.04 -0.02 4.50 1.04 0.12 -1.28 113.70 122.63 2i03 s SER 312 Ca 0.06 0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.52 2i03 s SER 312 Cb -0.07 -1.32 0.00 0.00 0.10 0.00 0.00 66.02 64.74 2i03 s SER 312 CO -0.00 0.31 -0.07 -0.76 0.98 0.00 0.00 173.24 173.70 2i03 s LEU 313 N -1.33 1.84 -0.12 2.42 1.02 -0.48 -0.66 118.68 121.38 2i03 s LEU 313 Ca 0.17 -0.14 0.01 0.00 0.02 0.00 0.00 54.13 54.20 2i03 s LEU 313 Cb -0.11 -0.41 -0.01 0.00 0.02 0.00 0.00 46.19 45.67 2i03 s LEU 313 CO 0.07 0.06 -0.16 -1.10 0.02 0.00 0.00 176.35 175.24 2i03 s GLN 314 N 0.10 3.24 0.10 1.70 -0.21 0.53 -0.06 119.66 125.06 2i03 s GLN 314 Ca -0.01 -0.73 0.08 0.00 0.02 0.00 0.00 55.36 54.72 2i03 s GLN 314 Cb -0.06 -2.53 -0.04 0.00 1.00 0.00 0.00 33.01 31.38 2i03 s GLN 314 CO -0.00 0.24 -0.16 -1.58 -2.12 0.00 0.00 175.29 171.67 2i03 s TRP 315 N 0.26 2.59 -0.04 0.91 0.52 0.56 -1.37 118.94 122.37 2i03 s TRP 315 Ca -0.11 -0.24 0.02 0.00 0.02 0.00 0.00 56.10 55.79 2i03 s TRP 315 Cb -0.16 -1.38 0.01 0.00 -1.15 0.00 0.00 33.47 30.79 2i03 s TRP 315 CO 0.06 0.38 -0.08 -1.17 0.02 0.00 0.00 176.95 176.15 2i03 s LEU 316 N -2.04 1.63 0.72 2.99 2.96 -0.53 -0.45 118.68 123.95 2i03 s LEU 316 Ca 0.18 -0.19 -0.13 0.00 -0.22 0.00 0.00 54.13 53.78 2i03 s LEU 316 Cb -0.11 -0.56 0.03 0.00 0.50 0.00 0.00 46.19 46.05 2i03 s LEU 316 CO 0.10 0.02 1.11 -0.13 -1.32 0.00 0.00 176.35 176.13 2i03 s ARG 317 N 0.49 2.45 0.53 1.98 0.52 -0.89 0.20 118.95 124.24 2i03 s ARG 317 Ca -0.08 1.32 0.22 0.00 -0.52 0.00 0.00 55.73 56.67 2i03 s ARG 317 Cb -0.12 -1.91 1.37 0.00 0.52 0.00 0.00 34.95 34.81 2i03 s ARG 317 CO 0.01 -1.51 2.06 -0.09 0.02 0.00 0.00 175.30 175.79 2i03 h ARG 318 N -0.57 0.00 -4.94 3.54 2.43 -1.09 -2.88 114.38 110.87 2i03 h ARG 318 Ca -0.45 0.00 -0.69 0.00 -0.81 0.00 0.00 59.98 58.03 2i03 h ARG 318 Cb 1.24 0.00 -0.18 0.00 -0.42 0.00 0.00 29.97 30.61 2i03 h ARG 318 CO 0.52 0.00 0.63 0.42 -1.51 0.00 0.00 179.97 180.03 2i03 s ILE 319 N -5.01 4.75 0.00 1.20 -1.09 -1.26 -4.83 121.20 114.96 2i03 s ILE 319 Ca -0.05 -1.39 0.00 0.00 -2.23 0.00 0.00 60.65 56.98 2i03 s ILE 319 Cb 0.18 -4.70 0.00 0.00 -1.58 0.00 0.00 42.46 36.36 2i03 s ILE 319 CO 0.70 -1.41 0.11 0.00 -1.23 0.00 0.00 174.94 173.10 2i03 n GLN 320 N 6.48 0.06 0.03 2.79 6.02 -1.09 -3.31 117.38 128.35 2i03 n GLN 320 Ca 0.14 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.21 2i03 n GLN 320 Cb 0.47 -1.47 -0.10 0.00 1.02 0.00 0.00 30.24 30.16 2i03 n GLN 320 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2i03 n ASN 321 N 1.83 0.40 -3.75 1.08 2.85 -1.26 -1.02 115.26 115.38 2i03 n ASN 321 Ca 0.00 0.16 -0.14 0.00 -0.11 0.00 0.00 54.58 54.49 2i03 n ASN 321 Cb 0.03 1.16 -0.15 0.00 1.24 0.00 0.00 39.78 42.06 2i03 n ASN 321 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 2i03 s TYR 322 N -3.31 -0.08 0.12 1.20 6.14 -1.21 -2.10 117.35 118.12 2i03 s TYR 322 Ca -0.05 0.33 0.05 0.00 0.64 0.00 0.00 57.07 58.04 2i03 s TYR 322 Cb 0.11 -0.16 -0.04 0.00 0.42 0.00 0.00 41.96 42.29 2i03 s TYR 322 CO 0.85 -0.14 -0.12 -1.54 0.64 0.00 0.00 175.55 175.25 2i03 s SER 323 N 1.16 1.77 -0.04 4.32 1.04 0.35 -2.10 113.70 120.21 2i03 s SER 323 Ca -0.09 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.48 2i03 s SER 323 Cb -0.12 -0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.00 2i03 s SER 323 CO -0.05 -0.23 -0.00 -0.69 0.98 0.00 0.00 173.24 173.25 2i03 s VAL 324 N -2.56 0.22 -0.22 5.02 1.01 0.40 -1.37 120.40 122.90 2i03 s VAL 324 Ca 0.10 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.07 2i03 s VAL 324 Cb -0.02 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 2i03 s VAL 324 CO 0.01 0.17 0.12 -0.32 0.00 0.00 0.00 175.10 175.08 2i03 s MET 325 N 1.17 4.01 -0.09 2.72 1.75 0.18 -0.32 119.30 128.72 2i03 s MET 325 Ca -0.08 -0.31 -0.02 0.00 -1.25 0.00 0.00 55.69 54.03 2i03 s MET 325 Cb -0.13 -3.42 -0.03 0.00 2.84 0.00 0.00 34.83 34.08 2i03 s MET 325 CO -0.02 0.11 0.01 -0.51 -0.65 0.00 0.00 175.02 173.97 2i03 s ASP 326 N 0.88 5.34 -0.23 1.11 1.01 0.92 -1.20 116.67 124.49 2i03 s ASP 326 Ca 0.06 0.17 -0.01 0.00 0.71 0.00 0.00 52.55 53.48 2i03 s ASP 326 Cb -0.13 -1.55 0.03 0.00 1.01 0.00 0.00 42.92 42.28 2i03 s ASP 326 CO 0.03 0.37 -0.10 -0.63 0.21 0.00 0.00 175.17 175.05 2i03 s ILE 327 N -0.84 2.65 -0.07 0.77 1.01 -1.26 -1.38 121.20 122.08 2i03 s ILE 327 Ca 0.13 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.77 2i03 s ILE 327 Cb -0.11 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 2i03 s ILE 327 CO 0.02 0.27 -0.14 0.00 0.00 0.00 0.00 174.94 175.09 2i03 s ASP 329 N -0.42 4.03 0.30 0.00 1.11 0.96 -1.44 116.67 121.21 2i03 s ASP 329 Ca 0.05 -0.20 -0.29 0.00 0.18 0.00 0.00 52.55 52.29 2i03 s ASP 329 Cb -0.12 -0.84 -0.10 0.00 1.07 0.00 0.00 42.92 42.93 2i03 s ASP 329 CO 0.02 0.34 1.21 -0.47 1.18 0.00 0.00 175.17 177.45 2i03 s TYR 330 N -0.74 3.31 -0.44 4.23 5.04 -0.13 -1.33 117.35 127.30 2i03 s TYR 330 Ca 0.12 1.55 -0.07 0.00 -2.44 0.00 0.00 57.07 56.23 2i03 s TYR 330 Cb -0.11 -3.49 0.10 0.00 0.35 0.00 0.00 41.96 38.82 2i03 s TYR 330 CO 0.01 -1.22 0.27 0.34 -1.34 0.00 0.00 175.55 173.61 2i03 s ASP 331 N -0.67 5.54 0.17 4.32 -1.08 -0.66 -4.93 116.67 119.35 2i03 s ASP 331 Ca 0.47 -1.82 -0.26 0.00 -0.52 0.00 0.00 52.55 50.41 2i03 s ASP 331 Cb -0.36 -1.95 0.02 0.00 -1.46 0.00 0.00 42.92 39.17 2i03 s ASP 331 CO 0.47 -0.60 1.56 -0.08 0.52 0.00 0.00 175.17 177.04 2i03 h GLU 332 N 8.32 -0.22 -2.54 4.34 4.57 -1.94 0.16 114.58 127.26 2i03 h GLU 332 Ca -0.19 0.02 -0.78 0.00 -1.18 0.00 0.00 59.36 57.22 2i03 h GLU 332 Cb 1.07 0.05 -0.20 0.00 -0.16 0.00 0.00 28.75 29.50 2i03 h GLU 332 CO 0.78 -0.15 1.65 0.43 -1.18 0.00 0.00 179.01 180.54 2i03 n SER 333 N -5.40 7.42 0.00 1.04 7.64 -1.26 -3.79 113.62 119.27 2i03 n SER 333 Ca 0.01 -3.41 0.00 0.00 1.01 0.00 0.00 58.87 56.49 2i03 n SER 333 Cb 0.34 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 2i03 n SER 333 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2i03 n SER 334 N 1.04 0.00 0.00 6.43 7.64 -1.02 -5.03 113.62 122.69 2i03 n SER 334 Ca 0.51 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.39 2i03 n SER 334 Cb 0.27 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 2i03 n SER 334 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2i03 n GLY 335 N -1.00 2.97 3.98 0.23 0.00 0.52 -5.02 105.19 106.86 2i03 n GLY 335 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2i03 n GLY 335 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2i03 s ARG 336 N -0.22 1.91 -0.05 1.61 1.04 -1.26 -4.78 118.95 117.21 2i03 s ARG 336 Ca 0.00 -0.89 0.01 0.00 -1.04 0.00 0.00 55.73 53.81 2i03 s ARG 336 Cb 0.00 -2.33 -0.03 0.00 -2.04 0.00 0.00 34.95 30.55 2i03 s ARG 336 CO 0.00 -1.28 -0.04 -1.58 -0.04 0.00 0.00 175.30 172.36 2i03 s TRP 337 N -3.09 3.00 -0.09 5.89 0.52 -1.26 -1.66 118.94 122.24 2i03 s TRP 337 Ca 0.64 0.06 0.04 0.00 0.02 0.00 0.00 56.10 56.85 2i03 s TRP 337 Cb -0.07 -1.71 -0.00 0.00 -1.15 0.00 0.00 33.47 30.54 2i03 s TRP 337 CO 0.43 0.39 -0.23 -0.80 0.02 0.00 0.00 176.95 176.75 2i03 s ASN 338 N -1.01 3.16 -0.40 2.95 -0.87 -0.44 -4.92 114.94 113.41 2i03 s ASN 338 Ca 0.14 -0.53 -0.03 0.00 -1.57 0.00 0.00 52.86 50.87 2i03 s ASN 338 Cb -0.11 -1.32 0.11 0.00 -0.02 0.00 0.00 41.25 39.90 2i03 s ASN 338 CO 0.04 0.18 0.19 0.00 -2.57 0.00 0.00 177.10 174.93 2i03 s LEU 340 N 1.14 4.31 0.90 0.00 1.43 -1.24 -4.96 118.68 120.28 2i03 s LEU 340 Ca 0.08 2.20 -0.11 0.00 -1.03 0.00 0.00 54.13 55.27 2i03 s LEU 340 Cb -0.22 -3.54 0.14 0.00 0.03 0.00 0.00 46.19 42.59 2i03 s LEU 340 CO -0.04 -0.86 1.11 0.54 0.23 0.00 0.00 176.35 177.33 2i03 s VAL 341 N 3.45 2.44 0.00 -1.59 0.11 -1.26 -1.35 120.40 122.21 2i03 s VAL 341 Ca 0.70 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.89 2i03 s VAL 341 Cb -0.33 -2.33 0.00 0.00 -1.53 0.00 0.00 36.38 32.19 2i03 s VAL 341 CO 0.28 -0.19 0.00 0.00 -3.33 0.00 0.00 175.10 171.86 2i03 n ALA 342 N -4.09 0.00 0.69 1.54 0.00 -1.26 -4.64 120.51 112.75 2i03 n ALA 342 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.64 2i03 n ALA 342 Cb 0.53 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.10 2i03 n ALA 342 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2i03 n ARG 343 N -1.23 2.08 -3.50 0.00 0.63 -0.45 -4.65 116.66 109.53 2i03 n ARG 343 Ca 0.00 -1.89 -0.25 0.00 -0.92 0.00 0.00 57.85 54.79 2i03 n ARG 343 Cb 0.00 -1.42 -0.02 0.00 0.45 0.00 0.00 32.46 31.47 2i03 n ARG 343 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 2i03 s GLN 344 N -1.65 3.50 -0.03 -0.14 -2.07 -1.23 -4.34 119.66 113.69 2i03 s GLN 344 Ca 0.28 -0.35 0.03 0.00 -1.82 0.00 0.00 55.36 53.50 2i03 s GLN 344 Cb 0.19 -2.72 0.00 0.00 -1.09 0.00 0.00 33.01 29.39 2i03 s GLN 344 CO 0.27 0.23 -0.12 -1.01 -1.32 0.00 0.00 175.29 173.34 2i03 s HIS 345 N -2.18 1.22 -0.12 9.60 3.76 -0.34 -4.96 115.29 122.28 2i03 s HIS 345 Ca 0.39 -0.32 -0.09 0.00 -0.15 0.00 0.00 55.06 54.89 2i03 s HIS 345 Cb -0.10 -0.85 -0.04 0.00 1.11 0.00 0.00 32.58 32.70 2i03 s HIS 345 CO 0.33 -0.12 0.18 0.42 -0.85 0.00 0.00 174.74 174.71 2i03 s ILE 346 N 0.11 5.41 -0.10 0.60 1.01 -1.26 -0.65 121.20 126.32 2i03 s ILE 346 Ca -0.03 0.31 -0.00 0.00 0.00 0.00 0.00 60.65 60.93 2i03 s ILE 346 Cb -0.09 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 38.93 2i03 s ILE 346 CO 0.01 0.56 -0.06 -0.70 0.00 0.00 0.00 174.94 174.75 2i03 s GLU 347 N -0.65 1.36 0.18 2.79 2.12 -0.47 -5.01 118.70 119.03 2i03 s GLU 347 Ca 0.15 -0.19 -0.06 0.00 0.36 0.00 0.00 54.97 55.23 2i03 s GLU 347 Cb -0.12 -1.46 -0.02 0.00 0.26 0.00 0.00 34.13 32.78 2i03 s GLU 347 CO 0.04 -0.26 0.24 0.00 -0.54 0.00 0.00 175.26 174.73 2i03 s MET 348 N 1.71 1.20 0.01 4.30 0.23 -1.26 -0.49 119.30 124.99 2i03 s MET 348 Ca 0.04 -1.37 -0.01 0.00 -1.03 0.00 0.00 55.69 53.33 2i03 s MET 348 Cb -0.13 0.34 -0.01 0.00 -1.53 0.00 0.00 34.83 33.50 2i03 s MET 348 CO -0.07 -0.43 0.00 0.45 -2.03 0.00 0.00 175.02 172.95 2i03 s SER 349 N -3.05 0.11 0.00 -1.18 0.15 -0.89 -5.01 113.70 103.83 2i03 s SER 349 Ca 0.26 -0.23 0.11 0.00 0.70 0.00 0.00 55.95 56.79 2i03 s SER 349 Cb 0.04 0.08 -0.06 0.00 -1.71 0.00 0.00 66.02 64.37 2i03 s SER 349 CO 0.05 -0.17 0.59 0.35 1.20 0.00 0.00 173.24 175.26 2i03 n THR 350 N 2.27 0.00 -0.06 6.45 -2.24 -1.26 -4.50 114.28 114.95 2i03 n THR 350 Ca -0.18 -0.31 -0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2i03 n THR 350 Cb 0.57 1.07 -0.16 0.00 -2.10 0.00 0.00 70.33 69.71 2i03 n THR 350 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2i03 n THR 351 N -0.73 0.75 0.00 4.28 -2.24 -1.26 -5.07 114.28 110.01 2i03 n THR 351 Ca 0.04 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 2i03 n THR 351 Cb 0.21 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 2i03 n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2i03 n GLY 352 N 1.52 3.55 4.03 3.38 0.00 -1.26 -4.84 105.19 111.58 2i03 n GLY 352 Ca -0.19 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 2i03 n GLY 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2i03 s TRP 353 N 0.09 1.40 -0.13 1.61 -2.14 -1.26 -4.65 118.94 113.85 2i03 s TRP 353 Ca 0.00 -0.73 -0.12 0.00 2.66 0.00 0.00 56.10 57.91 2i03 s TRP 353 Cb 0.00 -2.21 -0.05 0.00 -3.10 0.00 0.00 33.47 28.12 2i03 s TRP 353 CO 0.00 -1.15 0.25 0.08 -2.66 0.00 0.00 176.95 173.46 2i03 s VAL 354 N -2.67 5.33 0.07 -0.66 1.01 -0.19 -4.74 120.40 118.55 2i03 s VAL 354 Ca 0.62 0.45 0.00 0.00 0.00 0.00 0.00 61.98 63.05 2i03 s VAL 354 Cb -0.06 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.76 2i03 s VAL 354 CO 0.39 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.58 2i03 n GLY 355 N 2.86 -1.72 0.11 4.51 0.00 -1.26 -3.84 105.19 105.85 2i03 n GLY 355 Ca -0.15 -1.45 -0.14 0.00 0.00 0.00 0.00 46.02 44.28 2i03 n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2i03 h ARG 356 N -0.24 0.23 0.00 1.61 3.08 -1.93 -3.41 114.38 113.72 2i03 h ARG 356 Ca -0.01 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.87 2i03 h ARG 356 Cb 0.24 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2i03 h ARG 356 CO 0.01 0.80 -0.62 1.19 -1.07 0.00 0.00 179.97 180.27 2i03 n PHE 357 N -4.56 0.00 -3.51 3.04 3.72 -1.26 -4.90 117.46 109.98 2i03 n PHE 357 Ca -0.08 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.23 2i03 n PHE 357 Cb 0.42 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.94 2i03 n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2i03 s ARG 358 N -1.50 1.07 0.48 -1.08 1.70 -1.25 -5.02 118.95 113.35 2i03 s ARG 358 Ca 0.00 -0.43 -0.22 0.00 -0.47 0.00 0.00 55.73 54.61 2i03 s ARG 358 Cb 0.00 0.47 -0.09 0.00 -0.57 0.00 0.00 34.95 34.76 2i03 s ARG 358 CO 0.00 -0.47 0.88 -2.30 -1.08 0.00 0.00 175.30 172.33 2i03 n PRO 359 N -0.33 1.05 -1.29 3.89 -0.02 -1.25 -4.36 135.00 132.70 2i03 n PRO 359 Ca -0.11 0.39 -0.30 0.00 -2.02 0.00 0.00 63.50 61.45 2i03 n PRO 359 Cb 0.63 -1.96 0.12 0.00 -0.02 0.00 0.00 33.50 32.27 2i03 n PRO 359 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2i03 s SER 360 N -0.92 3.90 0.12 2.55 1.04 -1.26 -4.98 113.70 114.15 2i03 s SER 360 Ca 0.66 1.51 -0.21 0.00 0.48 0.00 0.00 55.95 58.39 2i03 s SER 360 Cb -0.52 -2.21 -0.07 0.00 0.10 0.00 0.00 66.02 63.32 2i03 s SER 360 CO 0.55 -2.37 0.65 -0.70 0.98 0.00 0.00 173.24 172.34 2i03 s GLU 361 N -4.98 4.31 0.37 4.02 2.12 -1.26 -4.93 118.70 118.35 2i03 s GLU 361 Ca 0.62 0.87 -0.08 0.00 0.36 0.00 0.00 54.97 56.74 2i03 s GLU 361 Cb -0.17 -3.18 -0.06 0.00 0.26 0.00 0.00 34.13 30.98 2i03 s GLU 361 CO 0.56 0.58 0.70 -1.25 -0.54 0.00 0.00 175.26 175.31 2i03 s PRO 362 N -1.28 3.72 -0.25 4.30 0.04 -1.26 -4.55 135.00 135.72 2i03 s PRO 362 Ca 0.33 0.31 0.01 0.00 0.04 0.00 0.00 61.00 61.69 2i03 s PRO 362 Cb -0.20 -2.47 0.07 0.00 0.04 0.00 0.00 34.50 31.94 2i03 s PRO 362 CO 0.21 0.04 -0.03 -1.01 0.04 0.00 0.00 177.00 176.25 2i03 s HIS 363 N -2.30 2.52 0.31 0.56 3.76 0.39 -4.94 115.29 115.60 2i03 s HIS 363 Ca 0.49 -1.91 -0.25 0.00 -0.15 0.00 0.00 55.06 53.24 2i03 s HIS 363 Cb -0.10 -1.74 -0.10 0.00 1.11 0.00 0.00 32.58 31.75 2i03 s HIS 363 CO 0.31 -0.81 0.92 -0.06 -0.85 0.00 0.00 174.74 174.26 2i03 s PHE 364 N 1.35 3.69 0.66 1.40 0.40 -1.26 -0.39 117.98 123.83 2i03 s PHE 364 Ca -0.03 1.74 -0.12 0.00 -0.60 0.00 0.00 56.93 57.92 2i03 s PHE 364 Cb -0.19 -2.89 -0.01 0.00 0.51 0.00 0.00 43.02 40.45 2i03 s PHE 364 CO -0.08 0.23 1.05 0.95 0.70 0.00 0.00 175.22 178.07 2i03 s THR 365 N -1.60 4.16 0.19 0.64 -4.23 0.83 -4.85 115.64 110.77 2i03 s THR 365 Ca 0.49 0.75 -0.13 0.00 -1.18 0.00 0.00 61.69 61.62 2i03 s THR 365 Cb -0.18 -3.50 0.21 0.00 1.34 0.00 0.00 72.50 70.36 2i03 s THR 365 CO 0.23 -0.87 1.23 -0.11 -0.54 0.00 0.00 174.62 174.57 2i03 n LEU 366 N -2.87 -0.49 0.00 4.79 7.94 -1.26 0.14 117.00 125.24 2i03 n LEU 366 Ca 0.07 1.39 0.14 0.00 -1.11 0.00 0.00 56.01 56.50 2i03 n LEU 366 Cb 0.54 -0.33 0.84 0.00 0.53 0.00 0.00 43.42 44.99 2i03 n LEU 366 CO 0.55 -1.25 1.02 -0.90 -1.11 0.00 0.00 177.39 175.69 2i03 n ASP 367 N -5.18 0.00 -1.28 1.96 5.75 -1.26 -4.88 116.55 111.66 2i03 n ASP 367 Ca 0.09 -0.98 -0.17 0.00 -0.01 0.00 0.00 54.79 53.71 2i03 n ASP 367 Cb 0.33 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.35 2i03 n ASP 367 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2i03 n GLY 368 N 0.84 1.60 0.66 6.12 0.00 0.36 -4.81 105.19 109.95 2i03 n GLY 368 Ca 0.21 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.35 2i03 n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2i03 n ASN 369 N -1.28 2.16 -3.58 1.61 5.03 -1.26 -4.90 115.26 113.04 2i03 n ASN 369 Ca -0.17 -1.64 -0.12 0.00 0.87 0.00 0.00 54.58 53.52 2i03 n ASN 369 Cb 0.65 0.09 -0.04 0.00 -1.02 0.00 0.00 39.78 39.46 2i03 n ASN 369 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2i03 s SER 370 N -2.14 -0.35 0.13 6.41 1.04 -1.26 -2.22 113.70 115.32 2i03 s SER 370 Ca 0.29 -0.13 -0.14 0.00 0.48 0.00 0.00 55.95 56.45 2i03 s SER 370 Cb 0.20 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.84 2i03 s SER 370 CO 0.38 -0.83 0.37 0.72 0.98 0.00 0.00 173.24 174.85 2i03 s PHE 371 N -3.41 -0.07 -0.05 5.02 -0.12 -0.87 -0.12 117.98 118.36 2i03 s PHE 371 Ca 0.00 -0.27 0.05 0.00 -0.05 0.00 0.00 56.93 56.65 2i03 s PHE 371 Cb 0.01 0.19 -0.02 0.00 -0.63 0.00 0.00 43.02 42.56 2i03 s PHE 371 CO -0.09 -0.70 -0.18 0.71 -0.05 0.00 0.00 175.22 174.91 2i03 s TYR 372 N -3.84 2.60 -0.06 3.49 1.51 0.48 -0.95 117.35 120.58 2i03 s TYR 372 Ca 0.05 -0.32 -0.29 0.00 -1.01 0.00 0.00 57.07 55.50 2i03 s TYR 372 Cb 0.02 -1.61 0.07 0.00 -0.11 0.00 0.00 41.96 40.32 2i03 s TYR 372 CO -0.10 0.06 0.65 -1.59 -1.11 0.00 0.00 175.55 173.47 2i03 s LYS 373 N -0.56 1.02 0.05 -0.62 -2.85 -0.82 -0.46 119.74 115.49 2i03 s LYS 373 Ca 0.08 0.27 -0.30 0.00 -1.00 0.00 0.00 55.97 55.02 2i03 s LYS 373 Cb -0.11 0.48 -0.05 0.00 -2.06 0.00 0.00 37.83 36.09 2i03 s LYS 373 CO 0.01 -0.30 1.08 0.42 0.10 0.00 0.00 175.35 176.65 2i03 s ILE 374 N -1.10 4.43 0.08 3.79 1.01 -1.26 -0.57 121.20 127.58 2i03 s ILE 374 Ca -0.10 1.79 -0.09 0.00 0.00 0.00 0.00 60.65 62.24 2i03 s ILE 374 Cb -0.01 -4.14 -0.00 0.00 0.01 0.00 0.00 42.46 38.32 2i03 s ILE 374 CO 0.09 0.16 0.19 0.27 0.00 0.00 0.00 174.94 175.66 2i03 s ILE 375 N 0.85 0.14 0.15 2.92 -4.36 -0.31 -4.45 121.20 116.15 2i03 s ILE 375 Ca 0.54 -1.13 -0.31 0.00 -0.26 0.00 0.00 60.65 59.50 2i03 s ILE 375 Cb -0.25 -1.27 -0.08 0.00 1.25 0.00 0.00 42.46 42.11 2i03 s ILE 375 CO 0.29 -0.62 1.33 -0.55 0.24 0.00 0.00 174.94 175.63 2i03 s SER 376 N -2.74 6.89 1.34 4.36 0.15 -1.26 -1.44 113.70 121.00 2i03 s SER 376 Ca 0.03 2.33 -0.21 0.00 0.70 0.00 0.00 55.95 58.81 2i03 s SER 376 Cb 0.04 -2.60 0.34 0.00 -1.71 0.00 0.00 66.02 62.09 2i03 s SER 376 CO -0.10 -0.57 0.98 0.20 1.20 0.00 0.00 173.24 174.95 2i03 s ASN 377 N 0.71 -0.40 0.42 5.45 0.01 0.32 -4.82 114.94 116.62 2i03 s ASN 377 Ca 0.60 0.92 0.25 0.00 -0.71 0.00 0.00 52.86 53.92 2i03 s ASN 377 Cb -0.36 -1.33 0.53 0.00 0.41 0.00 0.00 41.25 40.50 2i03 s ASN 377 CO 0.34 -4.97 1.68 -0.08 -1.51 0.00 0.00 177.10 172.56 2i03 h GLU 378 N -3.15 0.00 -0.02 -0.60 4.57 -1.95 -2.46 114.58 110.97 2i03 h GLU 378 Ca -0.47 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 2i03 h GLU 378 Cb 1.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.92 2i03 h GLU 378 CO 0.33 0.00 -0.11 -1.91 -1.18 0.00 0.00 179.01 176.15 2i03 n GLU 379 N -2.98 1.68 -0.45 1.92 2.13 -1.26 -4.95 120.64 116.72 2i03 n GLU 379 Ca 0.04 -1.20 0.00 0.00 0.66 0.00 0.00 57.16 56.66 2i03 n GLU 379 Cb 0.49 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.72 2i03 n GLU 379 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2i03 n GLY 380 N 1.29 0.76 3.68 8.31 0.00 -0.92 -4.80 105.19 113.52 2i03 n GLY 380 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 2i03 n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2i03 s TYR 381 N -2.18 3.23 -0.27 1.61 1.51 -1.26 -0.13 117.35 119.86 2i03 s TYR 381 Ca 0.00 0.17 -0.29 0.00 -1.01 0.00 0.00 57.07 55.94 2i03 s TYR 381 Cb 0.00 -1.88 0.01 0.00 -0.11 0.00 0.00 41.96 39.98 2i03 s TYR 381 CO 0.00 0.40 1.06 1.03 -1.11 0.00 0.00 175.55 176.93 2i03 s ARG 382 N -0.54 4.17 0.21 -0.62 0.52 -1.26 0.12 118.95 121.55 2i03 s ARG 382 Ca 0.10 1.24 0.00 0.00 -0.52 0.00 0.00 55.73 56.55 2i03 s ARG 382 Cb -0.12 -3.69 -0.05 0.00 0.52 0.00 0.00 34.95 31.62 2i03 s ARG 382 CO 0.02 -0.75 0.09 -1.01 0.02 0.00 0.00 175.30 173.67 2i03 s HIS 383 N 3.41 1.27 -0.13 -0.53 3.76 -0.52 -1.22 115.29 121.33 2i03 s HIS 383 Ca 0.45 -1.23 -0.29 0.00 -0.15 0.00 0.00 55.06 53.84 2i03 s HIS 383 Cb -0.14 -0.70 -0.02 0.00 1.11 0.00 0.00 32.58 32.84 2i03 s HIS 383 CO 0.10 -0.44 1.14 0.42 -0.85 0.00 0.00 174.74 175.11 2i03 s ILE 384 N -3.91 4.46 -0.08 0.60 1.01 -1.26 -1.16 121.20 120.86 2i03 s ILE 384 Ca 0.34 1.76 0.00 0.00 0.00 0.00 0.00 60.65 62.75 2i03 s ILE 384 Cb 0.07 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 2i03 s ILE 384 CO 0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 174.94 174.92 2i03 s TYR 386 N -0.76 3.24 0.19 0.00 5.04 0.13 -1.95 117.35 123.24 2i03 s TYR 386 Ca 0.12 0.10 0.10 0.00 -2.44 0.00 0.00 57.07 54.95 2i03 s TYR 386 Cb -0.11 -2.31 -0.04 0.00 0.35 0.00 0.00 41.96 39.85 2i03 s TYR 386 CO 0.02 -0.08 -0.14 -0.06 -1.34 0.00 0.00 175.55 173.95 2i03 s PHE 387 N 1.40 2.52 -0.21 4.97 0.40 -0.12 -0.76 117.98 126.18 2i03 s PHE 387 Ca 0.07 -0.27 -0.02 0.00 -0.60 0.00 0.00 56.93 56.11 2i03 s PHE 387 Cb -0.15 -1.23 0.00 0.00 0.51 0.00 0.00 43.02 42.15 2i03 s PHE 387 CO 0.07 0.52 -0.09 -0.65 0.70 0.00 0.00 175.22 175.77 2i03 s GLN 388 N -2.84 3.26 0.66 0.44 1.11 -1.26 -2.06 119.66 118.97 2i03 s GLN 388 Ca 0.24 -0.69 0.14 0.00 0.01 0.00 0.00 55.36 55.06 2i03 s GLN 388 Cb -0.08 -2.88 0.72 0.00 -1.01 0.00 0.00 33.01 29.75 2i03 s GLN 388 CO 0.14 -0.20 1.40 -0.84 0.01 0.00 0.00 175.29 175.79 2i03 h ILE 389 N 5.78 0.02 -0.08 1.08 3.07 -1.80 0.38 117.51 125.95 2i03 h ILE 389 Ca -0.43 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.98 2i03 h ILE 389 Cb 1.15 0.27 0.00 0.00 -0.27 0.00 0.00 36.82 37.98 2i03 h ILE 389 CO 0.61 0.00 0.00 -0.90 -1.05 0.00 0.00 178.15 176.81 2i03 n ASP 390 N -2.74 2.75 -4.19 2.16 5.68 -1.26 -4.50 116.55 114.46 2i03 n ASP 390 Ca 0.01 -2.92 -0.31 0.00 -0.50 0.00 0.00 54.79 51.07 2i03 n ASP 390 Cb 0.79 -0.41 -0.17 0.00 -1.14 0.00 0.00 41.12 40.19 2i03 n ASP 390 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2i03 s LYS 391 N -2.60 2.91 0.06 0.11 3.01 0.13 -4.90 119.74 118.46 2i03 s LYS 391 Ca 0.31 -0.83 -0.29 0.00 -1.01 0.00 0.00 55.97 54.16 2i03 s LYS 391 Cb 0.26 -2.25 -0.17 0.00 -1.01 0.00 0.00 37.83 34.66 2i03 s LYS 391 CO 0.05 0.11 1.58 1.57 0.51 0.00 0.00 175.35 179.17 2i03 h LYS 392 N 6.91 -0.56 -6.01 1.68 2.10 -1.90 -3.40 116.57 115.39 2i03 h LYS 392 Ca -0.24 0.04 -0.57 0.00 -2.00 0.00 0.00 60.65 57.88 2i03 h LYS 392 Cb 1.22 0.13 -0.06 0.00 -0.90 0.00 0.00 32.23 32.62 2i03 h LYS 392 CO 0.49 -0.34 0.33 -0.51 -2.00 0.00 0.00 179.45 177.43 2i03 s ASP 393 N -4.73 7.00 0.67 7.07 1.01 -1.26 -5.02 116.67 121.42 2i03 s ASP 393 Ca -0.16 1.22 0.04 0.00 0.71 0.00 0.00 52.55 54.36 2i03 s ASP 393 Cb 0.04 -2.46 0.12 0.00 1.01 0.00 0.00 42.92 41.63 2i03 s ASP 393 CO 0.62 -0.33 0.93 0.00 0.21 0.00 0.00 175.17 176.59 2i03 s THR 395 N -2.97 1.26 0.03 0.00 2.01 0.06 -4.88 115.64 111.15 2i03 s THR 395 Ca 0.65 -0.46 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 2i03 s THR 395 Cb -0.05 -1.21 -0.05 0.00 0.01 0.00 0.00 72.50 71.20 2i03 s THR 395 CO 0.43 0.40 1.28 -0.36 -0.69 0.00 0.00 174.62 175.68 2i03 s PHE 396 N 1.36 3.20 -1.13 4.92 0.08 -1.26 0.21 117.98 125.36 2i03 s PHE 396 Ca -0.00 1.10 0.22 0.00 0.12 0.00 0.00 56.93 58.37 2i03 s PHE 396 Cb -0.14 -3.52 -0.09 0.00 -0.57 0.00 0.00 43.02 38.70 2i03 s PHE 396 CO -0.06 -1.76 1.00 0.44 -0.10 0.00 0.00 175.22 174.75 2i03 n ILE 397 N 4.28 0.00 -4.25 0.64 -5.35 -0.52 -4.94 119.36 109.22 2i03 n ILE 397 Ca 0.11 -0.03 -0.14 0.00 -0.27 0.00 0.00 62.75 62.42 2i03 n ILE 397 Cb 0.45 0.91 -0.10 0.00 -1.74 0.00 0.00 39.64 39.16 2i03 n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2i03 s THR 398 N -2.93 0.74 0.04 7.28 -4.23 -1.26 -4.91 115.64 110.37 2i03 s THR 398 Ca 0.10 -1.99 -0.28 0.00 -1.18 0.00 0.00 61.69 58.34 2i03 s THR 398 Cb 0.16 -2.11 0.09 0.00 1.34 0.00 0.00 72.50 71.99 2i03 s THR 398 CO 0.81 -0.49 1.02 -1.59 -0.54 0.00 0.00 174.62 173.82 2i03 s LYS 399 N -3.90 0.85 0.00 3.99 -2.85 -1.26 -4.71 119.74 111.86 2i03 s LYS 399 Ca 0.23 -0.41 0.00 0.00 -1.00 0.00 0.00 55.97 54.79 2i03 s LYS 399 Cb 0.06 0.33 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 2i03 s LYS 399 CO 0.04 -0.38 0.00 0.41 0.10 0.00 0.00 175.35 175.52 2i03 n GLY 400 N -0.36 3.21 2.46 0.59 0.00 -1.26 -4.91 105.19 104.93 2i03 n GLY 400 Ca -0.07 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 2i03 n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2i03 n THR 401 N -1.63 4.88 -3.88 2.61 -2.24 -1.26 -4.77 114.28 107.99 2i03 n THR 401 Ca 0.00 -3.79 -0.07 0.00 -2.27 0.00 0.00 64.05 57.91 2i03 n THR 401 Cb 0.00 -2.26 -0.02 0.00 -2.10 0.00 0.00 70.33 65.94 2i03 n THR 401 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 2i03 s TRP 402 N 0.02 -0.08 0.15 4.78 1.48 -1.26 -5.05 118.94 118.98 2i03 s TRP 402 Ca 0.58 -0.38 0.06 0.00 -1.06 0.00 0.00 56.10 55.30 2i03 s TRP 402 Cb 0.18 0.63 -0.04 0.00 -1.16 0.00 0.00 33.47 33.08 2i03 s TRP 402 CO -0.08 -1.22 -0.13 -1.21 -4.06 0.00 0.00 176.95 170.25 2i03 s GLU 403 N -3.83 1.10 -0.20 3.25 2.02 -1.26 -4.59 118.70 115.19 2i03 s GLU 403 Ca 0.13 -1.36 -0.21 0.00 0.02 0.00 0.00 54.97 53.55 2i03 s GLU 403 Cb -0.05 -0.91 -0.02 0.00 0.10 0.00 0.00 34.13 33.25 2i03 s GLU 403 CO 0.08 0.16 0.66 0.08 0.02 0.00 0.00 175.26 176.26 2i03 s VAL 404 N -2.55 4.99 0.16 2.63 1.01 -0.36 -2.75 120.40 123.54 2i03 s VAL 404 Ca 0.14 1.24 0.02 0.00 0.00 0.00 0.00 61.98 63.38 2i03 s VAL 404 Cb -0.03 -3.97 -0.16 0.00 0.00 0.00 0.00 36.38 32.23 2i03 s VAL 404 CO 0.03 0.09 1.37 0.40 0.00 0.00 0.00 175.10 176.99 2i03 h ILE 405 N 5.21 1.50 0.00 2.22 1.08 -0.89 -3.46 117.51 123.18 2i03 h ILE 405 Ca -0.30 -2.66 0.00 0.00 -0.39 0.00 0.00 64.86 61.51 2i03 h ILE 405 Cb 1.14 2.49 0.00 0.00 -3.07 0.00 0.00 36.82 37.38 2i03 h ILE 405 CO 0.78 0.77 0.00 0.61 -0.69 0.00 0.00 178.15 179.63 2i03 n GLY 406 N 0.91 1.39 3.65 5.37 0.00 -1.19 -4.99 105.19 110.33 2i03 n GLY 406 Ca -0.04 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 2i03 n GLY 406 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i03 s ILE 407 N -2.00 5.04 -0.14 -0.61 1.01 -1.26 -1.35 121.20 121.89 2i03 s ILE 407 Ca 0.00 1.07 0.16 0.00 0.00 0.00 0.00 60.65 61.89 2i03 s ILE 407 Cb 0.00 -3.90 -0.24 0.00 0.01 0.00 0.00 42.46 38.33 2i03 s ILE 407 CO 0.00 0.11 0.29 -0.62 0.00 0.00 0.00 174.94 174.72 2i03 n GLU 408 N 5.16 0.67 -3.58 2.79 -0.58 0.96 -4.97 120.64 121.09 2i03 n GLU 408 Ca -0.02 0.09 -0.14 0.00 -0.42 0.00 0.00 57.16 56.67 2i03 n GLU 408 Cb 0.50 -1.62 -0.06 0.00 -0.57 0.00 0.00 31.44 29.69 2i03 n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2i03 s ALA 409 N -2.55 -1.84 -0.10 0.62 0.00 -0.96 -4.91 121.76 112.00 2i03 s ALA 409 Ca -0.08 1.63 -0.01 0.00 0.00 0.00 0.00 51.96 53.50 2i03 s ALA 409 Cb 0.07 -0.66 0.03 0.00 0.00 0.00 0.00 23.12 22.55 2i03 s ALA 409 CO 0.83 -0.33 -0.05 -1.17 0.00 0.00 0.00 175.76 175.04 2i03 s LEU 410 N -0.59 1.02 0.42 0.00 2.96 -1.26 -0.58 118.68 120.65 2i03 s LEU 410 Ca -0.04 -0.26 0.07 0.00 -0.22 0.00 0.00 54.13 53.69 2i03 s LEU 410 Cb -0.02 -0.72 -0.04 0.00 0.50 0.00 0.00 46.19 45.91 2i03 s LEU 410 CO 0.03 -0.15 0.23 0.42 -1.32 0.00 0.00 176.35 175.57 2i03 s THR 411 N 1.79 2.37 0.02 3.68 -4.23 0.38 -4.98 115.64 114.67 2i03 s THR 411 Ca 0.05 -1.60 0.32 0.00 -1.18 0.00 0.00 61.69 59.28 2i03 s THR 411 Cb -0.13 -2.97 0.36 0.00 1.34 0.00 0.00 72.50 71.10 2i03 s THR 411 CO -0.07 0.00 1.96 0.77 -0.54 0.00 0.00 174.62 176.73 2i03 h SER 412 N 1.31 0.00 0.00 3.99 4.64 -2.00 -3.32 113.55 118.17 2i03 h SER 412 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2i03 h SER 412 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2i03 h SER 412 CO 0.67 0.00 -0.29 -0.67 -0.87 0.00 0.00 176.83 175.67 2i03 n ASP 413 N -2.86 0.84 -4.66 4.97 -0.08 -1.26 -4.89 116.55 108.61 2i03 n ASP 413 Ca 0.00 0.35 -0.25 0.00 -1.51 0.00 0.00 54.79 53.39 2i03 n ASP 413 Cb 0.25 -0.65 -0.08 0.00 2.34 0.00 0.00 41.12 42.97 2i03 n ASP 413 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 2i03 s TYR 414 N -1.64 2.58 -0.19 -0.67 1.51 -1.25 -2.25 117.35 115.43 2i03 s TYR 414 Ca -0.08 -0.46 0.00 0.00 -1.01 0.00 0.00 57.07 55.52 2i03 s TYR 414 Cb 0.01 -1.60 0.04 0.00 -0.11 0.00 0.00 41.96 40.31 2i03 s TYR 414 CO 0.12 0.41 -0.09 -1.17 -1.11 0.00 0.00 175.55 173.72 2i03 s LEU 415 N -3.76 2.12 -0.17 -1.29 1.98 -0.79 -0.47 118.68 116.29 2i03 s LEU 415 Ca 0.36 -0.84 -0.14 0.00 -2.89 0.00 0.00 54.13 50.62 2i03 s LEU 415 Cb 0.01 -1.15 -0.05 0.00 0.66 0.00 0.00 46.19 45.66 2i03 s LEU 415 CO 0.20 -0.16 0.29 -0.31 -1.89 0.00 0.00 176.35 174.49 2i03 s TYR 416 N 1.46 3.44 0.10 5.38 1.51 0.26 -1.44 117.35 128.05 2i03 s TYR 416 Ca -0.01 0.56 -0.07 0.00 -1.01 0.00 0.00 57.07 56.54 2i03 s TYR 416 Cb -0.16 -2.36 -0.01 0.00 -0.11 0.00 0.00 41.96 39.32 2i03 s TYR 416 CO -0.08 0.19 0.17 1.52 -1.11 0.00 0.00 175.55 176.24 2i03 s TYR 417 N 0.63 0.31 -0.08 2.71 -0.85 0.21 -0.03 117.35 120.25 2i03 s TYR 417 Ca 0.16 -0.74 -0.03 0.00 -0.52 0.00 0.00 57.07 55.95 2i03 s TYR 417 Cb -0.13 -0.13 -0.04 0.00 0.38 0.00 0.00 41.96 42.04 2i03 s TYR 417 CO 0.04 -0.56 0.04 0.42 -1.52 0.00 0.00 175.55 173.98 2i03 s ILE 418 N -3.91 4.61 0.18 -3.49 -1.09 -0.45 -0.00 121.20 117.05 2i03 s ILE 418 Ca 0.09 -0.19 -0.14 0.00 -2.23 0.00 0.00 60.65 58.18 2i03 s ILE 418 Cb 0.05 -2.99 0.01 0.00 -1.58 0.00 0.00 42.46 37.96 2i03 s ILE 418 CO -0.08 0.56 0.41 -0.94 -1.23 0.00 0.00 174.94 173.67 2i03 s SER 419 N -1.06 -0.13 -0.43 3.58 1.04 -0.30 -0.16 113.70 116.23 2i03 s SER 419 Ca 0.15 -0.62 0.04 0.00 0.48 0.00 0.00 55.95 56.00 2i03 s SER 419 Cb -0.12 0.51 0.51 0.00 0.10 0.00 0.00 66.02 67.02 2i03 s SER 419 CO 0.05 -0.97 1.66 -0.46 0.98 0.00 0.00 173.24 174.49 2i03 n ASN 420 N -0.28 4.79 -0.04 7.02 0.23 -1.11 -1.35 115.26 124.53 2i03 n ASN 420 Ca -0.10 -3.75 -0.14 0.00 -0.53 0.00 0.00 54.58 50.06 2i03 n ASN 420 Cb 0.63 -0.71 -0.09 0.00 -2.08 0.00 0.00 39.78 37.52 2i03 n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2i03 h GLU 421 N 1.56 0.25 -6.15 -3.83 4.81 -1.84 -3.35 114.58 106.03 2i03 h GLU 421 Ca 0.44 -0.18 -0.72 0.00 -0.13 0.00 0.00 59.36 58.77 2i03 h GLU 421 Cb 1.59 0.03 0.06 0.00 0.63 0.00 0.00 28.75 31.06 2i03 h GLU 421 CO 0.96 0.80 0.22 0.98 -0.73 0.00 0.00 179.01 181.23 2i03 n TYR 422 N -4.55 1.02 -1.14 0.92 9.36 -1.26 -0.88 117.16 120.63 2i03 n TYR 422 Ca -0.08 0.84 -0.09 0.00 3.32 0.00 0.00 57.90 61.89 2i03 n TYR 422 Cb 0.42 -2.21 -0.04 0.00 -0.63 0.00 0.00 39.34 36.88 2i03 n TYR 422 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2i03 n LYS 423 N 1.92 -1.52 -2.22 2.98 4.01 -1.26 -2.10 118.16 119.97 2i03 n LYS 423 Ca 0.19 0.63 -0.19 0.00 -0.51 0.00 0.00 58.31 58.43 2i03 n LYS 423 Cb 0.15 -4.72 -0.02 0.00 -0.51 0.00 0.00 35.03 29.93 2i03 n LYS 423 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2i03 n GLY 424 N 0.04 0.00 3.46 0.72 0.00 -0.06 -4.95 105.19 104.40 2i03 n GLY 424 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2i03 n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2i03 s MET 425 N -4.73 3.03 0.53 1.61 -1.94 -0.89 -4.95 119.30 111.97 2i03 s MET 425 Ca 0.00 -0.97 0.35 0.00 -1.71 0.00 0.00 55.69 53.36 2i03 s MET 425 Cb 0.00 -3.93 1.76 0.00 2.01 0.00 0.00 34.83 34.68 2i03 s MET 425 CO 0.00 -0.70 2.07 -1.35 -0.01 0.00 0.00 175.02 175.03 2i03 h PRO 426 N 8.59 0.00 -0.52 2.03 0.11 -1.90 -2.27 132.00 138.04 2i03 h PRO 426 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2i03 h PRO 426 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2i03 h PRO 426 CO 0.71 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.91 2i03 n GLY 427 N -0.69 1.47 3.70 -0.55 0.00 -1.26 -4.90 105.19 102.95 2i03 n GLY 427 Ca -0.01 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 2i03 n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i03 s GLY 428 N -1.03 1.72 -0.06 -0.02 0.00 -0.86 -2.38 107.32 104.69 2i03 s GLY 428 Ca 0.36 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.74 2i03 s GLY 428 CO 0.25 -1.35 -0.04 0.50 0.00 0.00 0.00 173.10 172.45 2i03 s ARG 429 N -3.03 0.85 0.05 2.90 1.81 -0.32 -4.11 118.95 117.09 2i03 s ARG 429 Ca 0.29 -0.07 0.02 0.00 -1.72 0.00 0.00 55.73 54.25 2i03 s ARG 429 Cb -0.09 -0.94 -0.03 0.00 -0.45 0.00 0.00 34.95 33.44 2i03 s ARG 429 CO 0.20 -0.15 -0.08 -0.80 -0.68 0.00 0.00 175.30 173.80 2i03 s ASN 430 N 1.22 0.90 -0.16 0.23 0.01 -0.46 -0.72 114.94 115.97 2i03 s ASN 430 Ca -0.06 -0.60 -0.17 0.00 -0.71 0.00 0.00 52.86 51.31 2i03 s ASN 430 Cb -0.14 0.04 -0.04 0.00 0.41 0.00 0.00 41.25 41.53 2i03 s ASN 430 CO -0.02 -0.23 0.45 -0.22 -1.51 0.00 0.00 177.10 175.57 2i03 s LEU 431 N -1.75 4.21 0.12 0.60 2.96 -1.26 -1.15 118.68 122.41 2i03 s LEU 431 Ca -0.07 0.67 0.07 0.00 -0.22 0.00 0.00 54.13 54.58 2i03 s LEU 431 Cb -0.08 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 2i03 s LEU 431 CO -0.00 -0.05 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.50 2i03 s TYR 432 N 1.01 1.61 -0.06 5.38 1.51 1.00 -0.55 117.35 127.26 2i03 s TYR 432 Ca 0.23 -0.48 0.03 0.00 -1.01 0.00 0.00 57.07 55.84 2i03 s TYR 432 Cb -0.15 -0.85 0.01 0.00 -0.11 0.00 0.00 41.96 40.86 2i03 s TYR 432 CO 0.09 0.21 -0.13 -1.59 -1.11 0.00 0.00 175.55 173.01 2i03 s LYS 433 N -2.38 1.66 -0.07 -0.62 -2.85 -0.25 -0.62 119.74 114.61 2i03 s LYS 433 Ca 0.09 -0.45 0.04 0.00 -1.00 0.00 0.00 55.97 54.64 2i03 s LYS 433 Cb -0.07 -1.39 -0.02 0.00 -2.06 0.00 0.00 37.83 34.29 2i03 s LYS 433 CO 0.04 0.09 -0.17 -1.50 0.10 0.00 0.00 175.35 173.91 2i03 s ILE 434 N 0.47 2.83 -0.18 3.79 2.07 -0.52 -0.64 121.20 129.02 2i03 s ILE 434 Ca -0.11 -0.79 -0.29 0.00 -1.41 0.00 0.00 60.65 58.04 2i03 s ILE 434 Cb -0.14 -2.11 -0.00 0.00 0.13 0.00 0.00 42.46 40.34 2i03 s ILE 434 CO 0.03 0.57 1.12 -1.58 -1.91 0.00 0.00 174.94 173.17 2i03 s GLN 435 N -0.40 4.28 0.59 3.50 0.74 -1.07 -1.88 119.66 125.43 2i03 s GLN 435 Ca 0.04 1.48 0.35 0.00 0.05 0.00 0.00 55.36 57.29 2i03 s GLN 435 Cb -0.12 -3.65 1.88 0.00 1.10 0.00 0.00 33.01 32.21 2i03 s GLN 435 CO 0.02 -0.59 2.21 -0.07 -0.55 0.00 0.00 175.29 176.31 2i03 h LEU 436 N 9.21 0.00 0.00 3.68 -0.00 -1.79 -2.11 115.31 124.29 2i03 h LEU 436 Ca -0.24 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.49 2i03 h LEU 436 Cb 1.09 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.73 2i03 h LEU 436 CO 0.95 0.04 -0.77 0.28 -0.00 0.00 0.00 178.44 178.94 2i03 h SER 437 N 0.00 0.00 -2.14 -0.43 0.02 -1.92 -3.42 113.55 105.66 2i03 h SER 437 Ca -0.00 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.57 2i03 h SER 437 Cb 0.16 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 62.37 2i03 h SER 437 CO 0.00 0.69 -0.68 -0.62 -1.14 0.00 0.00 176.83 175.08 2i03 s ASP 438 N -6.48 1.69 0.61 3.07 -1.08 -0.80 -4.99 116.67 108.68 2i03 s ASP 438 Ca 0.02 -1.24 0.30 0.00 -0.52 0.00 0.00 52.55 51.11 2i03 s ASP 438 Cb 0.08 0.40 1.68 0.00 -1.46 0.00 0.00 42.92 43.62 2i03 s ASP 438 CO 0.78 -0.33 2.05 1.88 0.52 0.00 0.00 175.17 180.06 2i03 h TYR 439 N 7.68 0.00 0.00 -5.34 0.05 -1.80 0.15 116.97 117.70 2i03 h TYR 439 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.73 2i03 h TYR 439 Cb 1.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.79 2i03 h TYR 439 CO 0.31 0.00 0.00 -2.37 -1.05 0.00 0.00 178.16 175.05 2i03 n THR 440 N -3.55 1.31 -3.23 -2.88 5.66 -1.26 -4.04 114.28 106.30 2i03 n THR 440 Ca 0.02 0.35 -0.37 0.00 -3.05 0.00 0.00 64.05 61.00 2i03 n THR 440 Cb 0.39 -1.21 -0.03 0.00 -1.55 0.00 0.00 70.33 67.93 2i03 n THR 440 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2i03 n LYS 441 N -1.59 3.60 -3.84 1.09 5.02 0.53 -5.03 118.16 117.95 2i03 n LYS 441 Ca 0.02 -4.59 -0.35 0.00 -2.02 0.00 0.00 58.31 51.37 2i03 n LYS 441 Cb 0.11 -2.42 -0.09 0.00 -0.02 0.00 0.00 35.03 32.61 2i03 n LYS 441 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2i03 s VAL 442 N -2.48 5.10 -0.04 -0.18 0.11 -1.26 -2.60 120.40 119.05 2i03 s VAL 442 Ca 0.34 0.08 0.04 0.00 -2.93 0.00 0.00 61.98 59.51 2i03 s VAL 442 Cb 0.06 -3.33 -0.03 0.00 -1.53 0.00 0.00 36.38 31.56 2i03 s VAL 442 CO 0.04 0.43 -0.15 -0.89 -3.33 0.00 0.00 175.10 171.19 2i03 s THR 443 N 0.52 2.98 -0.25 5.04 2.01 0.18 -4.96 115.64 121.15 2i03 s THR 443 Ca 0.06 -0.77 -0.15 0.00 0.31 0.00 0.00 61.69 61.14 2i03 s THR 443 Cb -0.12 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 2i03 s THR 443 CO 0.00 0.58 0.38 0.00 -0.69 0.00 0.00 174.62 174.90 2i03 n LEU 445 N 5.14 0.97 0.00 0.00 4.77 0.29 -4.49 117.00 123.68 2i03 n LEU 445 Ca -0.08 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 2i03 n LEU 445 Cb 0.51 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2i03 n LEU 445 CO 0.38 0.20 -0.42 -1.54 -1.33 0.00 0.00 177.39 174.68 2i03 n SER 446 N -0.98 4.18 -0.37 -1.43 3.41 -1.20 -4.81 113.62 112.42 2i03 n SER 446 Ca 0.08 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.66 2i03 n SER 446 Cb 0.36 0.61 0.01 0.00 -0.26 0.00 0.00 64.21 64.94 2i03 n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i03 n GLU 448 N -5.43 2.22 -0.36 0.00 4.71 -1.26 -4.07 120.64 116.45 2i03 n GLU 448 Ca 0.08 -1.81 0.08 0.00 -0.01 0.00 0.00 57.16 55.50 2i03 n GLU 448 Cb 0.37 -1.47 0.26 0.00 -1.01 0.00 0.00 31.44 29.59 2i03 n GLU 448 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 2i03 h LEU 449 N 3.99 0.90 -5.00 -4.62 3.38 -1.80 -3.38 115.31 108.78 2i03 h LEU 449 Ca 0.00 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2i03 h LEU 449 Cb 0.86 -0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.34 2i03 h LEU 449 CO 0.00 0.47 -0.18 -3.20 0.09 0.00 0.00 178.44 175.61 2i03 n ASN 450 N -4.62 -1.81 -0.36 -0.43 2.85 -1.26 -5.05 115.26 104.57 2i03 n ASN 450 Ca 0.19 -2.08 0.35 0.00 -0.11 0.00 0.00 54.58 52.93 2i03 n ASN 450 Cb 0.38 1.03 0.71 0.00 1.24 0.00 0.00 39.78 43.14 2i03 n ASN 450 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2i03 h PRO 451 N 3.60 0.07 0.04 1.20 0.13 -1.75 0.31 132.00 135.60 2i03 h PRO 451 Ca -0.17 -0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.80 2i03 h PRO 451 Cb 1.15 -0.02 0.02 0.00 0.13 0.00 0.00 31.00 32.28 2i03 h PRO 451 CO -0.05 0.05 -0.66 0.93 -0.23 0.00 0.00 178.00 178.04 2i03 h GLU 452 N 0.08 0.37 0.10 0.86 4.39 -1.97 -3.38 114.58 115.02 2i03 h GLU 452 Ca 0.62 -0.46 -0.33 0.00 0.34 0.00 0.00 59.36 59.53 2i03 h GLU 452 Cb 2.27 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 31.04 2i03 h GLU 452 CO -0.08 1.14 -1.79 -0.09 -1.16 0.00 0.00 179.01 177.03 2i03 h ARG 453 N -0.20 0.21 -4.99 2.33 2.43 -1.80 -3.42 114.38 108.94 2i03 h ARG 453 Ca -0.09 -0.35 -0.67 0.00 -0.81 0.00 0.00 59.98 58.05 2i03 h ARG 453 Cb 1.41 0.13 -0.33 0.00 -0.42 0.00 0.00 29.97 30.76 2i03 h ARG 453 CO 0.13 1.02 -0.80 0.00 -1.51 0.00 0.00 179.97 178.81 2i03 n GLN 455 N 4.65 0.06 -3.61 0.00 6.02 0.12 -4.32 117.38 120.30 2i03 n GLN 455 Ca -0.19 -0.27 -0.29 0.00 -0.01 0.00 0.00 57.00 56.25 2i03 n GLN 455 Cb 0.49 -0.56 -0.15 0.00 1.02 0.00 0.00 30.24 31.03 2i03 n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2i03 s TYR 456 N -0.04 0.66 0.11 1.08 6.14 -1.11 -1.18 117.35 123.00 2i03 s TYR 456 Ca 0.00 -0.96 0.08 0.00 0.64 0.00 0.00 57.07 56.84 2i03 s TYR 456 Cb 0.00 -1.04 -0.04 0.00 0.42 0.00 0.00 41.96 41.30 2i03 s TYR 456 CO 0.00 -0.76 -0.15 0.71 0.64 0.00 0.00 175.55 175.98 2i03 s TYR 457 N 1.98 2.61 0.12 4.97 1.51 0.10 -1.30 117.35 127.35 2i03 s TYR 457 Ca 0.07 -0.22 0.06 0.00 -1.01 0.00 0.00 57.07 55.96 2i03 s TYR 457 Cb -0.16 -1.38 -0.04 0.00 -0.11 0.00 0.00 41.96 40.27 2i03 s TYR 457 CO -0.27 0.40 -0.14 -1.54 -1.11 0.00 0.00 175.55 172.89 2i03 s SER 458 N -2.15 1.96 0.08 2.29 1.04 -0.33 -4.58 113.70 112.01 2i03 s SER 458 Ca 0.19 -0.79 0.04 0.00 0.48 0.00 0.00 55.95 55.87 2i03 s SER 458 Cb -0.11 -0.06 -0.03 0.00 0.10 0.00 0.00 66.02 65.92 2i03 s SER 458 CO 0.11 -0.14 -0.12 0.54 0.98 0.00 0.00 173.24 174.61 2i03 s VAL 459 N -2.07 0.99 -0.27 5.02 0.11 -1.26 -1.11 120.40 121.81 2i03 s VAL 459 Ca 0.08 -1.39 -0.04 0.00 -2.93 0.00 0.00 61.98 57.70 2i03 s VAL 459 Cb -0.05 -1.11 0.09 0.00 -1.53 0.00 0.00 36.38 33.78 2i03 s VAL 459 CO 0.03 -0.35 0.12 -0.55 -3.33 0.00 0.00 175.10 171.01 2i03 s SER 460 N -1.96 3.39 0.57 3.54 0.15 -0.68 -4.99 113.70 113.74 2i03 s SER 460 Ca -0.00 -1.21 -0.06 0.00 0.70 0.00 0.00 55.95 55.37 2i03 s SER 460 Cb -0.08 -0.40 -0.01 0.00 -1.71 0.00 0.00 66.02 63.83 2i03 s SER 460 CO 0.01 -0.42 0.89 -0.36 1.20 0.00 0.00 173.24 174.57 2i03 s PHE 461 N 2.04 3.36 0.98 3.44 0.40 -1.26 -0.90 117.98 126.04 2i03 s PHE 461 Ca 0.08 0.74 -0.16 0.00 -0.60 0.00 0.00 56.93 56.99 2i03 s PHE 461 Cb -0.16 -2.65 0.21 0.00 0.51 0.00 0.00 43.02 40.94 2i03 s PHE 461 CO -0.30 -0.70 1.33 -1.54 0.70 0.00 0.00 175.22 174.71 2i03 s SER 462 N -4.25 2.94 0.20 1.36 1.04 0.00 -4.88 113.70 110.12 2i03 s SER 462 Ca 0.53 0.23 -0.12 0.00 0.48 0.00 0.00 55.95 57.07 2i03 s SER 462 Cb -0.11 -0.23 0.25 0.00 0.10 0.00 0.00 66.02 66.04 2i03 s SER 462 CO 0.46 -2.84 1.69 0.11 0.98 0.00 0.00 173.24 173.64 2i03 h LYS 463 N -1.72 0.17 -0.71 4.02 1.79 -1.71 -1.83 116.57 116.58 2i03 h LYS 463 Ca -0.44 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 2i03 h LYS 463 Cb 1.23 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2i03 h LYS 463 CO 0.35 0.11 0.00 0.39 -1.08 0.00 0.00 179.45 179.23 2i03 n GLU 464 N -5.19 2.77 -2.30 3.15 -0.58 -1.26 -4.93 120.64 112.30 2i03 n GLU 464 Ca 0.07 -2.64 -0.13 0.00 -0.42 0.00 0.00 57.16 54.04 2i03 n GLU 464 Cb 0.31 -1.56 -0.00 0.00 -0.57 0.00 0.00 31.44 29.61 2i03 n GLU 464 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2i03 n ALA 465 N 1.57 -0.41 0.03 0.62 0.00 -0.69 -4.90 120.51 116.73 2i03 n ALA 465 Ca 0.24 0.11 -0.17 0.00 0.00 0.00 0.00 53.44 53.62 2i03 n ALA 465 Cb 0.62 -1.67 -0.07 0.00 0.00 0.00 0.00 19.45 18.33 2i03 n ALA 465 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2i03 h LYS 466 N -0.10 0.65 -5.47 0.00 3.64 -1.82 -3.40 116.57 110.08 2i03 h LYS 466 Ca -0.31 -0.63 -0.42 0.00 -1.27 0.00 0.00 60.65 58.02 2i03 h LYS 466 Cb 1.23 0.16 -0.15 0.00 -0.41 0.00 0.00 32.23 33.06 2i03 h LYS 466 CO 0.36 1.23 -0.73 0.71 -2.27 0.00 0.00 179.45 178.75 2i03 s TYR 467 N -3.47 1.60 -0.05 1.91 2.02 -1.26 0.12 117.35 118.22 2i03 s TYR 467 Ca -0.09 -0.61 -0.14 0.00 -0.37 0.00 0.00 57.07 55.87 2i03 s TYR 467 Cb 0.08 -0.76 0.03 0.00 -0.40 0.00 0.00 41.96 40.90 2i03 s TYR 467 CO 0.90 0.28 0.32 1.52 -1.57 0.00 0.00 175.55 177.00 2i03 s TYR 468 N -2.94 -0.24 -0.19 2.71 1.13 -0.82 -0.82 117.35 116.19 2i03 s TYR 468 Ca 0.20 0.48 -0.05 0.00 -1.41 0.00 0.00 57.07 56.29 2i03 s TYR 468 Cb -0.01 0.11 -0.02 0.00 -1.10 0.00 0.00 41.96 40.94 2i03 s TYR 468 CO 0.05 -0.32 -0.01 -1.14 -2.51 0.00 0.00 175.55 171.63 2i03 s GLN 469 N -0.83 3.62 -0.08 -3.49 0.74 -0.08 -0.10 119.66 119.44 2i03 s GLN 469 Ca -0.09 -0.52 -0.12 0.00 0.05 0.00 0.00 55.36 54.68 2i03 s GLN 469 Cb -0.04 -3.05 -0.05 0.00 1.10 0.00 0.00 33.01 30.97 2i03 s GLN 469 CO 0.03 0.04 0.28 -0.51 -0.55 0.00 0.00 175.29 174.58 2i03 s LEU 470 N 0.93 4.39 -0.25 3.68 1.43 -0.30 -1.68 118.68 126.88 2i03 s LEU 470 Ca 0.01 0.67 0.03 0.00 -1.03 0.00 0.00 54.13 53.81 2i03 s LEU 470 Cb -0.14 -2.34 0.05 0.00 0.03 0.00 0.00 46.19 43.79 2i03 s LEU 470 CO 0.02 0.30 -0.12 -0.13 0.23 0.00 0.00 176.35 176.65 2i03 s ARG 471 N -0.70 2.34 -0.14 1.70 0.52 -0.26 -2.05 118.95 120.36 2i03 s ARG 471 Ca 0.19 -1.26 -0.15 0.00 -0.52 0.00 0.00 55.73 53.99 2i03 s ARG 471 Cb -0.14 -2.83 -0.05 0.00 0.52 0.00 0.00 34.95 32.45 2i03 s ARG 471 CO 0.08 -0.52 0.34 0.00 0.02 0.00 0.00 175.30 175.22 2i03 n SER 473 N 3.46 1.84 0.00 0.00 3.41 -0.42 -1.39 113.62 120.52 2i03 n SER 473 Ca -0.11 -2.45 0.00 0.00 -0.26 0.00 0.00 58.87 56.05 2i03 n SER 473 Cb 0.52 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2i03 n SER 473 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2i03 n GLY 474 N -0.87 1.80 0.17 5.00 0.00 -1.26 -0.35 105.19 109.68 2i03 n GLY 474 Ca 0.08 -1.11 0.13 0.00 0.00 0.00 0.00 46.02 45.12 2i03 n GLY 474 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2i03 h PRO 475 N 0.00 0.00 0.00 1.61 0.13 -0.56 0.35 132.00 133.53 2i03 h PRO 475 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.96 2i03 h PRO 475 Cb 0.00 0.00 0.05 0.00 0.13 0.00 0.00 31.00 31.18 2i03 h PRO 475 CO 0.00 0.00 0.10 0.41 -0.23 0.00 0.00 178.00 178.28 2i03 n GLY 476 N 0.40 -0.20 3.74 1.56 0.00 0.77 -4.49 105.19 106.96 2i03 n GLY 476 Ca 0.03 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 2i03 n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i03 s LEU 477 N 0.00 4.37 0.04 0.99 1.43 -1.26 -4.62 118.68 119.62 2i03 s LEU 477 Ca 0.27 2.77 -0.37 0.00 -1.03 0.00 0.00 54.13 55.76 2i03 s LEU 477 Cb -0.01 -3.61 -0.19 0.00 0.03 0.00 0.00 46.19 42.40 2i03 s LEU 477 CO 0.18 -0.84 0.95 -2.65 0.23 0.00 0.00 176.35 174.22 2i03 n PRO 478 N 2.99 0.00 -4.12 1.29 -0.02 -1.26 -4.81 135.00 129.07 2i03 n PRO 478 Ca 0.10 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.33 2i03 n PRO 478 Cb 0.38 -1.38 -0.17 0.00 -0.02 0.00 0.00 33.50 32.31 2i03 n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2i03 s LEU 479 N 0.53 1.34 -0.19 2.45 2.96 -0.49 -4.23 118.68 121.05 2i03 s LEU 479 Ca 0.84 -0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 54.41 2i03 s LEU 479 Cb -1.18 -0.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 2i03 s LEU 479 CO 0.56 -0.07 -0.02 -0.31 -1.32 0.00 0.00 176.35 175.19 2i03 s TYR 480 N 1.36 3.02 0.18 5.38 1.51 0.70 -0.92 117.35 128.57 2i03 s TYR 480 Ca -0.01 -0.51 0.02 0.00 -1.01 0.00 0.00 57.07 55.56 2i03 s TYR 480 Cb -0.14 -2.06 -0.05 0.00 -0.11 0.00 0.00 41.96 39.61 2i03 s TYR 480 CO -0.04 -0.25 -0.01 0.95 -1.11 0.00 0.00 175.55 175.08 2i03 s THR 481 N 0.96 0.80 -0.03 -0.71 -4.23 -0.87 0.60 115.64 112.16 2i03 s THR 481 Ca 0.01 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.59 2i03 s THR 481 Cb -0.14 -2.13 -0.02 0.00 1.34 0.00 0.00 72.50 71.55 2i03 s THR 481 CO 0.01 -0.48 -0.23 -0.22 -0.54 0.00 0.00 174.62 173.17 2i03 s LEU 482 N -3.20 2.04 0.32 4.79 0.20 -0.06 -1.15 118.68 121.62 2i03 s LEU 482 Ca 0.24 -0.42 0.04 0.00 0.69 0.00 0.00 54.13 54.67 2i03 s LEU 482 Cb 0.06 -1.19 -0.04 0.00 -0.43 0.00 0.00 46.19 44.59 2i03 s LEU 482 CO 0.04 0.27 0.16 -1.00 -0.29 0.00 0.00 176.35 175.53 2i03 s HIS 483 N -0.44 1.66 -0.08 5.38 3.76 0.86 -0.31 115.29 126.12 2i03 s HIS 483 Ca 0.06 -1.36 0.03 0.00 -0.15 0.00 0.00 55.06 53.64 2i03 s HIS 483 Cb -0.10 -0.92 0.01 0.00 1.11 0.00 0.00 32.58 32.69 2i03 s HIS 483 CO -0.00 -0.48 -0.16 -1.54 -0.85 0.00 0.00 174.74 171.71 2i03 s SER 484 N -3.42 2.25 0.37 1.40 1.04 -1.04 -1.94 113.70 112.37 2i03 s SER 484 Ca 0.34 -0.39 0.06 0.00 0.48 0.00 0.00 55.95 56.44 2i03 s SER 484 Cb 0.05 -1.03 0.72 0.00 0.10 0.00 0.00 66.02 65.85 2i03 s SER 484 CO 0.18 0.07 1.93 0.28 0.98 0.00 0.00 173.24 176.68 2i03 h SER 485 N 6.96 0.42 -0.35 7.02 0.02 -0.54 0.28 113.55 127.35 2i03 h SER 485 Ca -0.27 -0.06 0.07 0.00 -0.84 0.00 0.00 61.79 60.69 2i03 h SER 485 Cb 1.20 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 63.57 2i03 h SER 485 CO 0.47 0.46 -0.07 1.62 -1.14 0.00 0.00 176.83 178.17 2i03 h VAL 486 N 0.45 0.66 -0.00 2.27 3.04 -1.89 -3.25 116.25 117.53 2i03 h VAL 486 Ca 0.10 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.79 2i03 h VAL 486 Cb 0.23 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 30.16 2i03 h VAL 486 CO 0.00 0.00 -0.04 0.59 -1.01 0.00 0.00 177.57 177.11 2i03 n ASN 487 N -5.26 0.68 -3.33 3.17 5.03 -1.24 -5.00 115.26 109.30 2i03 n ASN 487 Ca 0.01 -0.84 -0.18 0.00 0.87 0.00 0.00 54.58 54.44 2i03 n ASN 487 Cb 0.20 0.46 0.08 0.00 -1.02 0.00 0.00 39.78 39.49 2i03 n ASN 487 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2i03 n ASP 488 N -0.41 -3.45 -4.76 6.41 10.43 0.98 -4.97 116.55 120.78 2i03 n ASP 488 Ca 0.01 -0.56 -0.39 0.00 2.57 0.00 0.00 54.79 56.43 2i03 n ASP 488 Cb 0.04 -4.83 -0.06 0.00 1.84 0.00 0.00 41.12 38.11 2i03 n ASP 488 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2i03 s LYS 489 N -5.61 4.28 -0.22 -1.24 1.02 -1.15 -4.87 119.74 111.95 2i03 s LYS 489 Ca 0.19 0.63 -0.29 0.00 0.02 0.00 0.00 55.97 56.52 2i03 s LYS 489 Cb -0.08 -3.36 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 2i03 s LYS 489 CO 0.69 0.34 1.28 0.20 -0.92 0.00 0.00 175.35 176.94 2i03 s GLY 490 N -0.05 1.53 -0.15 -3.33 0.00 -1.26 -2.49 107.32 101.57 2i03 s GLY 490 Ca 0.29 0.31 -0.22 0.00 0.00 0.00 0.00 44.72 45.11 2i03 s GLY 490 CO 0.15 2.54 0.50 1.41 0.00 0.00 0.00 173.10 177.70 2i03 h LEU 491 N 10.23 0.00 -7.12 0.66 3.38 -1.01 -3.49 115.31 117.96 2i03 h LEU 491 Ca -0.26 -0.70 0.26 0.00 0.09 0.00 0.00 57.88 57.27 2i03 h LEU 491 Cb 1.10 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.70 2i03 h LEU 491 CO 1.00 1.00 0.77 0.00 0.09 0.00 0.00 178.44 181.29 2i03 s ARG 492 N -2.14 0.44 -0.19 1.13 1.70 -1.14 -5.00 118.95 113.75 2i03 s ARG 492 Ca -0.17 -0.20 -0.24 0.00 -0.47 0.00 0.00 55.73 54.65 2i03 s ARG 492 Cb -0.01 0.18 -0.02 0.00 -0.57 0.00 0.00 34.95 34.53 2i03 s ARG 492 CO 0.54 -0.20 0.77 0.08 -1.08 0.00 0.00 175.30 175.41 2i03 s VAL 493 N -2.54 4.91 -0.03 4.99 1.01 -1.26 -0.88 120.40 126.60 2i03 s VAL 493 Ca 0.11 1.50 0.02 0.00 0.00 0.00 0.00 61.98 63.60 2i03 s VAL 493 Cb 0.01 -4.08 -0.26 0.00 0.00 0.00 0.00 36.38 32.05 2i03 s VAL 493 CO -0.04 0.04 0.72 -0.07 0.00 0.00 0.00 175.10 175.74 2i03 h LEU 494 N 8.41 0.25 -6.78 3.92 3.38 -0.17 -3.47 115.31 120.85 2i03 h LEU 494 Ca -0.29 -0.43 0.12 0.00 0.09 0.00 0.00 57.88 57.37 2i03 h LEU 494 Cb 1.13 -0.08 -0.23 0.00 0.09 0.00 0.00 40.66 41.56 2i03 h LEU 494 CO 0.82 1.37 0.15 -0.70 0.09 0.00 0.00 178.44 180.18 2i03 s GLU 495 N -2.60 0.42 0.00 1.13 2.56 -0.86 -4.99 118.70 114.36 2i03 s GLU 495 Ca -0.10 0.95 0.07 0.00 0.00 0.00 0.00 54.97 55.89 2i03 s GLU 495 Cb 0.07 0.45 0.15 0.00 2.00 0.00 0.00 34.13 36.80 2i03 s GLU 495 CO 0.82 -0.13 1.00 -0.40 -0.56 0.00 0.00 175.26 176.00 2i03 n ASP 496 N 4.76 2.22 -3.63 -1.70 5.75 -1.26 -0.22 116.55 122.48 2i03 n ASP 496 Ca -0.13 -1.73 -0.27 0.00 -0.01 0.00 0.00 54.79 52.65 2i03 n ASP 496 Cb 0.53 -0.09 0.02 0.00 -1.03 0.00 0.00 41.12 40.55 2i03 n ASP 496 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2i03 n ASN 497 N 0.28 -4.78 0.14 -1.12 3.02 -1.26 -4.84 115.26 106.69 2i03 n ASN 497 Ca 0.06 -0.60 0.02 0.00 -0.03 0.00 0.00 54.58 54.04 2i03 n ASN 497 Cb 0.30 -3.85 0.39 0.00 -0.61 0.00 0.00 39.78 36.00 2i03 n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2i03 h SER 498 N -1.70 0.17 0.12 6.41 4.64 -1.94 -2.38 113.55 118.86 2i03 h SER 498 Ca -0.53 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 60.74 2i03 h SER 498 Cb 1.35 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2i03 h SER 498 CO 0.62 0.38 -0.06 0.00 -0.87 0.00 0.00 176.83 176.90 2i03 h ALA 499 N 1.64 -0.16 -0.91 5.18 0.00 -1.99 -1.43 119.26 121.59 2i03 h ALA 499 Ca 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2i03 h ALA 499 Cb 0.44 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2i03 h ALA 499 CO 0.03 -0.57 0.56 1.25 0.00 0.00 0.00 179.25 180.52 2i03 h LEU 500 N -0.19 1.09 -0.67 0.00 5.85 -1.81 -1.96 115.31 117.61 2i03 h LEU 500 Ca -0.02 -0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.75 2i03 h LEU 500 Cb 0.15 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 40.83 2i03 h LEU 500 CO 0.03 0.82 0.28 -0.78 -0.34 0.00 0.00 178.44 178.45 2i03 h ASP 501 N 1.26 0.31 -0.59 1.25 3.58 -0.97 0.63 116.42 121.88 2i03 h ASP 501 Ca 0.33 0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.81 2i03 h ASP 501 Cb -0.08 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 2i03 h ASP 501 CO -0.06 0.17 0.17 0.11 -2.88 0.00 0.00 179.24 176.74 2i03 h LYS 502 N 0.47 0.93 -0.46 0.28 1.79 -0.51 -2.80 116.57 116.28 2i03 h LYS 502 Ca 0.34 -0.21 -0.09 0.00 -2.18 0.00 0.00 60.65 58.51 2i03 h LYS 502 Cb 0.42 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 2i03 h LYS 502 CO -0.31 0.85 -0.08 0.52 -1.08 0.00 0.00 179.45 179.34 2i03 h MET 503 N 0.85 0.86 0.00 3.15 2.86 -0.93 -3.16 114.93 118.56 2i03 h MET 503 Ca 0.19 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2i03 h MET 503 Cb 0.31 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2i03 h MET 503 CO -0.00 0.95 0.00 -0.07 1.06 0.00 0.00 176.91 178.85 2i03 h LEU 504 N 0.70 0.00 0.00 1.22 3.38 -0.80 -2.86 115.31 116.96 2i03 h LEU 504 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2i03 h LEU 504 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2i03 h LEU 504 CO 0.04 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.57 2i03 n GLN 505 N -2.65 0.21 -0.58 1.13 10.64 -1.07 -2.15 117.38 122.92 2i03 n GLN 505 Ca 0.01 0.10 0.08 0.00 -1.83 0.00 0.00 57.00 55.36 2i03 n GLN 505 Cb 0.27 -1.50 0.30 0.00 -0.86 0.00 0.00 30.24 28.45 2i03 n GLN 505 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2i03 n ASN 506 N -1.35 4.45 -3.94 2.61 3.02 -1.08 -4.95 115.26 114.02 2i03 n ASN 506 Ca 0.09 -2.89 -0.15 0.00 -0.03 0.00 0.00 54.58 51.59 2i03 n ASN 506 Cb 0.19 -0.57 -0.14 0.00 -0.61 0.00 0.00 39.78 38.65 2i03 n ASN 506 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2i03 s VAL 507 N -2.63 0.35 -0.90 2.41 0.11 -0.91 -3.88 120.40 114.96 2i03 s VAL 507 Ca 0.45 -0.19 -0.25 0.00 -2.93 0.00 0.00 61.98 59.07 2i03 s VAL 507 Cb 0.35 -0.30 0.02 0.00 -1.53 0.00 0.00 36.38 34.92 2i03 s VAL 507 CO 0.13 0.10 1.53 -1.10 -3.33 0.00 0.00 175.10 172.42 2i03 s GLN 508 N -0.08 3.24 0.33 1.54 -0.21 0.43 -4.98 119.66 119.93 2i03 s GLN 508 Ca 0.01 -0.63 -0.07 0.00 0.02 0.00 0.00 55.36 54.70 2i03 s GLN 508 Cb -0.02 -4.95 -0.06 0.00 1.00 0.00 0.00 33.01 28.99 2i03 s GLN 508 CO -0.00 -2.44 0.63 -1.64 -2.12 0.00 0.00 175.29 169.72 2i03 s MET 509 N 5.68 3.69 0.65 2.91 -1.94 -1.26 -4.17 119.30 124.85 2i03 s MET 509 Ca 0.49 0.18 -0.11 0.00 -1.71 0.00 0.00 55.69 54.54 2i03 s MET 509 Cb -0.04 -2.55 -0.01 0.00 2.01 0.00 0.00 34.83 34.24 2i03 s MET 509 CO 0.00 0.12 1.04 -1.25 -0.01 0.00 0.00 175.02 174.93 2i03 s PRO 510 N -3.66 3.21 0.39 2.03 0.04 -1.26 -4.22 135.00 131.52 2i03 s PRO 510 Ca 0.47 0.55 0.08 0.00 0.04 0.00 0.00 61.00 62.13 2i03 s PRO 510 Cb -0.11 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 2i03 s PRO 510 CO 0.30 -0.78 0.26 -1.54 0.04 0.00 0.00 177.00 175.29 2i03 s SER 511 N -4.27 4.85 -0.09 6.66 1.04 -0.00 -4.91 113.70 116.97 2i03 s SER 511 Ca 0.56 -0.80 0.02 0.00 0.48 0.00 0.00 55.95 56.21 2i03 s SER 511 Cb -0.11 -0.64 0.01 0.00 0.10 0.00 0.00 66.02 65.38 2i03 s SER 511 CO 0.52 -0.50 -0.14 -0.75 0.98 0.00 0.00 173.24 173.35 2i03 s LYS 512 N -3.99 1.99 -0.19 4.02 2.20 -1.26 -0.06 119.74 122.46 2i03 s LYS 512 Ca 0.43 -0.49 -0.06 0.00 -0.36 0.00 0.00 55.97 55.49 2i03 s LYS 512 Cb -0.02 -1.71 -0.03 0.00 -1.51 0.00 0.00 37.83 34.57 2i03 s LYS 512 CO 0.25 -0.05 0.02 0.21 -0.36 0.00 0.00 175.35 175.43 2i03 s LYS 513 N 0.94 3.77 -0.27 4.03 2.20 -0.44 -4.95 119.74 125.02 2i03 s LYS 513 Ca -0.08 -0.45 0.02 0.00 -0.36 0.00 0.00 55.97 55.10 2i03 s LYS 513 Cb -0.15 -3.11 0.07 0.00 -1.51 0.00 0.00 37.83 33.13 2i03 s LYS 513 CO -0.00 0.15 -0.04 -1.17 -0.36 0.00 0.00 175.35 173.94 2i03 s LEU 514 N 0.65 3.30 0.00 5.43 0.20 -1.26 -0.69 118.68 126.31 2i03 s LEU 514 Ca 0.01 -1.50 0.00 0.00 0.69 0.00 0.00 54.13 53.33 2i03 s LEU 514 Cb -0.14 -1.37 0.00 0.00 -0.43 0.00 0.00 46.19 44.25 2i03 s LEU 514 CO 0.02 -0.27 0.00 -0.67 -0.29 0.00 0.00 176.35 175.14 2i03 n ASP 515 N 4.52 0.00 -3.84 3.68 4.64 -0.93 -5.01 116.55 119.60 2i03 n ASP 515 Ca -0.08 -0.45 -0.10 0.00 -1.38 0.00 0.00 54.79 52.78 2i03 n ASP 515 Cb 0.43 0.00 -0.08 0.00 -1.04 0.00 0.00 41.12 40.43 2i03 n ASP 515 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 2i03 s PHE 516 N -2.19 0.08 0.39 -0.67 -0.71 -1.26 -1.43 117.98 112.18 2i03 s PHE 516 Ca 0.00 -0.41 0.07 0.00 -1.04 0.00 0.00 56.93 55.55 2i03 s PHE 516 Cb 0.00 -0.03 -0.08 0.00 -1.21 0.00 0.00 43.02 41.71 2i03 s PHE 516 CO 0.00 -0.50 -0.00 0.96 -1.34 0.00 0.00 175.22 174.34 2i03 s ILE 517 N -3.25 1.92 -0.13 -4.49 -4.36 -0.48 -4.95 121.20 105.46 2i03 s ILE 517 Ca 0.00 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.36 2i03 s ILE 517 Cb 0.02 -2.91 -0.01 0.00 1.25 0.00 0.00 42.46 40.81 2i03 s ILE 517 CO -0.08 -0.04 -0.15 -0.63 0.24 0.00 0.00 174.94 174.29 2i03 s ILE 518 N -2.78 2.90 -0.26 8.37 -1.09 -1.26 -1.17 121.20 125.91 2i03 s ILE 518 Ca 0.35 -0.72 0.02 0.00 -2.23 0.00 0.00 60.65 58.07 2i03 s ILE 518 Cb 0.09 -2.20 0.07 0.00 -1.58 0.00 0.00 42.46 38.83 2i03 s ILE 518 CO 0.17 0.53 -0.04 -0.76 -1.23 0.00 0.00 174.94 173.61 2i03 s LEU 519 N 0.36 3.09 -0.22 2.97 1.43 0.50 -4.91 118.68 121.91 2i03 s LEU 519 Ca -0.12 -1.41 -0.19 0.00 -1.03 0.00 0.00 54.13 51.38 2i03 s LEU 519 Cb -0.16 -1.31 0.03 0.00 0.03 0.00 0.00 46.19 44.77 2i03 s LEU 519 CO 0.06 -0.26 0.32 -0.46 0.23 0.00 0.00 176.35 176.24 2i03 n ASN 520 N 4.56 -3.91 0.00 2.29 6.94 -1.26 -2.09 115.26 121.80 2i03 n ASN 520 Ca -0.09 -0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.46 2i03 n ASN 520 Cb 0.43 -1.07 0.00 0.00 -2.36 0.00 0.00 39.78 36.78 2i03 n ASN 520 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2i03 n GLU 521 N 0.22 0.00 -3.09 -3.83 -0.58 -1.26 -4.95 120.64 107.14 2i03 n GLU 521 Ca -0.04 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.33 2i03 n GLU 521 Cb 0.43 -0.04 -0.06 0.00 -0.57 0.00 0.00 31.44 31.20 2i03 n GLU 521 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2i03 s THR 522 N 0.00 4.55 -0.16 2.62 2.01 -0.89 -5.07 115.64 118.70 2i03 s THR 522 Ca 0.00 1.35 -0.08 0.00 0.31 0.00 0.00 61.69 63.28 2i03 s THR 522 Cb 0.00 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 2i03 s THR 522 CO 0.00 0.29 0.11 -1.59 -0.69 0.00 0.00 174.62 172.75 2i03 s LYS 523 N -1.75 3.75 -0.09 4.92 -2.85 -1.26 -0.37 119.74 122.08 2i03 s LYS 523 Ca 0.40 -0.22 0.04 0.00 -1.00 0.00 0.00 55.97 55.19 2i03 s LYS 523 Cb -0.18 -3.24 0.00 0.00 -2.06 0.00 0.00 37.83 32.35 2i03 s LYS 523 CO 0.22 0.52 -0.22 -0.06 0.10 0.00 0.00 175.35 175.91 2i03 s PHE 524 N -0.30 2.34 0.45 1.78 0.40 -0.31 -4.97 117.98 117.37 2i03 s PHE 524 Ca 0.10 -0.94 -0.10 0.00 -0.60 0.00 0.00 56.93 55.40 2i03 s PHE 524 Cb -0.12 -1.58 -0.06 0.00 0.51 0.00 0.00 43.02 41.77 2i03 s PHE 524 CO 0.01 -0.38 0.81 -1.58 0.70 0.00 0.00 175.22 174.78 2i03 s TRP 525 N 0.38 3.50 0.20 0.36 0.52 -1.26 -1.38 118.94 121.26 2i03 s TRP 525 Ca -0.17 1.06 -0.14 0.00 0.02 0.00 0.00 56.10 56.86 2i03 s TRP 525 Cb -0.17 -2.47 0.01 0.00 -1.15 0.00 0.00 33.47 29.69 2i03 s TRP 525 CO 0.08 -0.21 0.46 1.52 0.02 0.00 0.00 176.95 178.82 2i03 s TYR 526 N -2.53 0.13 0.04 -1.98 -0.85 -0.52 -1.01 117.35 110.63 2i03 s TYR 526 Ca 0.51 -0.49 -0.01 0.00 -0.52 0.00 0.00 57.07 56.57 2i03 s TYR 526 Cb -0.10 0.24 -0.03 0.00 0.38 0.00 0.00 41.96 42.45 2i03 s TYR 526 CO 0.36 -0.90 -0.02 1.14 -1.52 0.00 0.00 175.55 174.61 2i03 s GLN 527 N -3.93 0.47 -0.03 -3.49 -2.07 -0.05 -2.20 119.66 108.37 2i03 s GLN 527 Ca 0.14 -0.90 -0.01 0.00 -1.82 0.00 0.00 55.36 52.78 2i03 s GLN 527 Cb 0.00 0.17 0.03 0.00 -1.09 0.00 0.00 33.01 32.12 2i03 s GLN 527 CO 0.01 -0.09 0.04 -1.64 -1.32 0.00 0.00 175.29 172.30 2i03 s MET 528 N -2.68 -0.05 -0.47 9.60 -1.94 0.14 -1.37 119.30 122.52 2i03 s MET 528 Ca -0.05 0.26 -0.23 0.00 -1.71 0.00 0.00 55.69 53.96 2i03 s MET 528 Cb -0.01 -0.34 0.03 0.00 2.01 0.00 0.00 34.83 36.52 2i03 s MET 528 CO -0.05 -0.23 0.82 0.42 -0.01 0.00 0.00 175.02 175.97 2i03 s ILE 529 N 1.47 4.60 -0.08 2.53 -1.09 0.14 -1.32 121.20 127.45 2i03 s ILE 529 Ca -0.04 0.40 -0.14 0.00 -2.23 0.00 0.00 60.65 58.64 2i03 s ILE 529 Cb -0.13 -4.37 -0.05 0.00 -1.58 0.00 0.00 42.46 36.34 2i03 s ILE 529 CO -0.03 -0.80 0.36 -0.76 -1.23 0.00 0.00 174.94 172.48 2i03 s LEU 530 N 3.42 4.37 0.80 2.97 1.43 0.92 -2.52 118.68 130.06 2i03 s LEU 530 Ca 0.30 0.75 -0.14 0.00 -1.03 0.00 0.00 54.13 54.02 2i03 s LEU 530 Cb -0.12 -2.48 0.08 0.00 0.03 0.00 0.00 46.19 43.69 2i03 s LEU 530 CO 0.22 0.22 1.20 -2.65 0.23 0.00 0.00 176.35 175.58 2i03 n PRO 531 N 2.62 0.24 -1.74 1.29 -0.02 -1.26 -0.82 135.00 135.31 2i03 n PRO 531 Ca -0.13 0.16 -0.38 0.00 -2.02 0.00 0.00 63.50 61.13 2i03 n PRO 531 Cb 0.52 -2.44 0.05 0.00 -0.02 0.00 0.00 33.50 31.62 2i03 n PRO 531 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2i03 n PRO 532 N -3.17 1.49 -3.11 0.52 -0.02 -1.26 -2.50 135.00 126.96 2i03 n PRO 532 Ca 0.14 0.56 -0.23 0.00 -2.02 0.00 0.00 63.50 61.95 2i03 n PRO 532 Cb 0.50 -2.55 0.04 0.00 -0.02 0.00 0.00 33.50 31.47 2i03 n PRO 532 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2i03 n HIS 533 N -1.34 -2.11 -1.61 6.00 8.25 -1.26 -4.87 115.22 118.28 2i03 n HIS 533 Ca 0.12 0.60 -0.50 0.00 -0.26 0.00 0.00 57.72 57.68 2i03 n HIS 533 Cb 0.46 -4.61 -0.05 0.00 1.12 0.00 0.00 29.99 26.90 2i03 n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2i03 n PHE 534 N -4.61 1.68 -3.95 4.41 7.35 -1.04 -4.95 117.46 116.35 2i03 n PHE 534 Ca -0.10 0.56 -0.31 0.00 -0.76 0.00 0.00 57.45 56.84 2i03 n PHE 534 Cb 0.61 -2.38 -0.15 0.00 0.35 0.00 0.00 39.48 37.92 2i03 n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2i03 s ASP 535 N 0.55 4.55 0.00 -2.13 -1.08 -1.26 -4.97 116.67 112.33 2i03 s ASP 535 Ca 0.83 -2.13 0.00 0.00 -0.52 0.00 0.00 52.55 50.73 2i03 s ASP 535 Cb -0.89 -1.45 0.00 0.00 -1.46 0.00 0.00 42.92 39.12 2i03 s ASP 535 CO 0.45 -0.37 0.90 2.29 0.52 0.00 0.00 175.17 178.96 2i03 n LYS 536 N 4.27 0.00 0.05 4.34 2.85 -1.26 -0.28 118.16 128.13 2i03 n LYS 536 Ca 0.03 0.40 -0.10 0.00 -1.05 0.00 0.00 58.31 57.60 2i03 n LYS 536 Cb 0.41 -1.55 -0.13 0.00 -0.65 0.00 0.00 35.03 33.11 2i03 n LYS 536 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2i03 h SER 537 N 0.00 0.10 -4.05 -5.58 0.87 -1.93 -3.37 113.55 99.59 2i03 h SER 537 Ca 0.00 -0.12 -0.48 0.00 -1.23 0.00 0.00 61.79 59.96 2i03 h SER 537 Cb 0.11 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.05 2i03 h SER 537 CO 0.00 1.10 0.30 -0.75 -0.53 0.00 0.00 176.83 176.95 2i03 s LYS 538 N -2.67 3.89 -0.35 2.24 2.20 0.62 -4.92 119.74 120.74 2i03 s LYS 538 Ca -0.02 0.81 -0.10 0.00 -0.36 0.00 0.00 55.97 56.30 2i03 s LYS 538 Cb 0.09 -2.21 0.02 0.00 -1.51 0.00 0.00 37.83 34.22 2i03 s LYS 538 CO 0.83 -0.21 0.18 0.15 -0.36 0.00 0.00 175.35 175.94 2i03 s LYS 539 N -4.03 2.92 0.19 4.03 1.02 -1.26 -4.27 119.74 118.34 2i03 s LYS 539 Ca 0.57 -1.01 -0.00 0.00 0.02 0.00 0.00 55.97 55.55 2i03 s LYS 539 Cb -0.10 -3.65 -0.04 0.00 -0.52 0.00 0.00 37.83 33.52 2i03 s LYS 539 CO 0.32 -0.63 0.36 0.71 -0.92 0.00 0.00 175.35 175.19 2i03 s TYR 540 N 1.55 3.48 0.59 3.18 1.51 0.37 -4.40 117.35 123.64 2i03 s TYR 540 Ca 0.02 0.29 -0.14 0.00 -1.01 0.00 0.00 57.07 56.23 2i03 s TYR 540 Cb -0.19 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 39.81 2i03 s TYR 540 CO 0.06 0.42 1.03 -1.25 -1.11 0.00 0.00 175.55 174.69 2i03 s PRO 541 N -3.27 3.53 -0.02 -1.71 0.04 -1.26 -0.21 135.00 132.10 2i03 s PRO 541 Ca 0.37 0.96 0.01 0.00 0.04 0.00 0.00 61.00 62.39 2i03 s PRO 541 Cb -0.11 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.37 2i03 s PRO 541 CO 0.29 -0.62 -0.05 -1.17 0.04 0.00 0.00 177.00 175.49 2i03 s LEU 542 N -4.72 1.65 -0.22 -3.56 0.20 0.27 -2.15 118.68 110.15 2i03 s LEU 542 Ca 0.59 -0.11 -0.04 0.00 0.69 0.00 0.00 54.13 55.26 2i03 s LEU 542 Cb -0.12 -0.36 -0.01 0.00 -0.43 0.00 0.00 46.19 45.26 2i03 s LEU 542 CO 0.43 0.01 -0.03 -0.22 -0.29 0.00 0.00 176.35 176.24 2i03 s LEU 543 N 0.39 2.98 -0.35 -0.68 0.20 0.34 0.73 118.68 122.29 2i03 s LEU 543 Ca -0.05 -0.35 -0.21 0.00 0.69 0.00 0.00 54.13 54.21 2i03 s LEU 543 Cb -0.09 -1.76 0.00 0.00 -0.43 0.00 0.00 46.19 43.92 2i03 s LEU 543 CO -0.00 -0.00 0.68 -0.22 -0.29 0.00 0.00 176.35 176.52 2i03 s LEU 544 N 1.39 4.20 -0.35 -0.68 2.96 0.18 -0.74 118.68 125.64 2i03 s LEU 544 Ca 0.05 0.26 -0.20 0.00 -0.22 0.00 0.00 54.13 54.02 2i03 s LEU 544 Cb -0.14 -2.87 0.00 0.00 0.50 0.00 0.00 46.19 43.68 2i03 s LEU 544 CO -0.02 -0.62 0.60 -0.62 -1.32 0.00 0.00 176.35 174.38 2i03 s ASP 545 N 1.78 6.40 0.15 3.68 -1.08 0.17 -1.14 116.67 126.62 2i03 s ASP 545 Ca 0.27 0.10 0.09 0.00 -0.52 0.00 0.00 52.55 52.49 2i03 s ASP 545 Cb -0.14 -2.31 -0.04 0.00 -1.46 0.00 0.00 42.92 38.97 2i03 s ASP 545 CO 0.15 -0.56 -0.20 0.54 0.52 0.00 0.00 175.17 175.61 2i03 s VAL 546 N 2.62 1.86 0.00 1.11 0.11 0.14 -4.34 120.40 121.91 2i03 s VAL 546 Ca 0.23 -1.80 0.00 0.00 -2.93 0.00 0.00 61.98 57.48 2i03 s VAL 546 Cb -0.15 -1.79 0.00 0.00 -1.53 0.00 0.00 36.38 32.92 2i03 s VAL 546 CO 0.14 -0.19 0.00 0.00 -3.33 0.00 0.00 175.10 171.72 2i03 n TYR 547 N 0.58 0.00 -2.15 1.54 9.36 -1.26 -3.99 117.16 121.24 2i03 n TYR 547 Ca -0.15 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 60.89 2i03 n TYR 547 Cb 0.56 0.18 -0.02 0.00 -0.63 0.00 0.00 39.34 39.42 2i03 n TYR 547 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2i03 n ALA 548 N -1.66 -0.47 -1.82 2.98 0.00 -1.26 -3.21 120.51 115.07 2i03 n ALA 548 Ca 0.00 0.17 -0.31 0.00 0.00 0.00 0.00 53.44 53.30 2i03 n ALA 548 Cb 0.00 -1.91 0.01 0.00 0.00 0.00 0.00 19.45 17.55 2i03 n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2i03 s GLY 549 N -2.34 1.75 0.08 0.00 0.00 -1.26 -4.89 107.32 100.66 2i03 s GLY 549 Ca 0.00 -0.00 -0.36 0.00 0.00 0.00 0.00 44.72 44.36 2i03 s GLY 549 CO 0.00 0.27 1.44 -1.55 0.00 0.00 0.00 173.10 173.26 2i03 n PRO 550 N -2.56 1.42 -1.43 2.90 -0.04 -1.26 -1.24 135.00 132.79 2i03 n PRO 550 Ca 0.06 0.51 -0.09 0.00 -0.04 0.00 0.00 63.50 63.95 2i03 n PRO 550 Cb 0.54 -2.20 -0.03 0.00 -0.04 0.00 0.00 33.50 31.77 2i03 n PRO 550 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2i03 s SER 552 N -2.85 4.88 -0.27 0.00 1.04 -0.37 -4.03 113.70 112.09 2i03 s SER 552 Ca 0.00 0.04 -0.01 0.00 0.48 0.00 0.00 55.95 56.46 2i03 s SER 552 Cb 0.00 -0.72 0.16 0.00 0.10 0.00 0.00 66.02 65.56 2i03 s SER 552 CO 0.00 -1.47 0.47 -1.58 0.98 0.00 0.00 173.24 171.64 2i03 s GLN 553 N -5.01 0.45 -0.00 4.02 0.74 -1.26 -1.70 119.66 116.89 2i03 s GLN 553 Ca 0.61 0.61 0.21 0.00 0.05 0.00 0.00 55.36 56.83 2i03 s GLN 553 Cb -0.09 -0.07 -0.23 0.00 1.10 0.00 0.00 33.01 33.72 2i03 s GLN 553 CO 0.42 -0.74 0.85 1.63 -0.55 0.00 0.00 175.29 176.89 2i03 n LYS 554 N 5.39 0.10 -3.64 1.67 4.76 -1.26 -4.81 118.16 120.37 2i03 n LYS 554 Ca -0.01 -0.03 -0.40 0.00 -2.87 0.00 0.00 58.31 55.00 2i03 n LYS 554 Cb 0.51 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.08 2i03 n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2i03 s ALA 555 N -3.08 3.22 0.06 7.82 0.00 -1.26 -4.83 121.76 123.69 2i03 s ALA 555 Ca 0.06 -1.88 -0.00 0.00 0.00 0.00 0.00 51.96 50.13 2i03 s ALA 555 Cb 0.16 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.74 2i03 s ALA 555 CO 0.87 -1.47 0.09 -0.40 0.00 0.00 0.00 175.76 174.84 2i03 n ASP 556 N 4.92 -0.24 -1.27 0.00 5.68 -1.26 -4.43 116.55 119.95 2i03 n ASP 556 Ca -0.11 -1.34 0.09 0.00 -0.50 0.00 0.00 54.79 52.93 2i03 n ASP 556 Cb 0.45 0.45 0.30 0.00 -1.14 0.00 0.00 41.12 41.17 2i03 n ASP 556 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2i03 n THR 557 N -0.10 1.65 -2.38 2.12 -2.24 -1.00 -4.96 114.28 107.37 2i03 n THR 557 Ca 0.00 -1.24 -0.41 0.00 -2.27 0.00 0.00 64.05 60.13 2i03 n THR 557 Cb 0.10 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.48 2i03 n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2i03 s VAL 558 N -1.73 3.51 -0.16 2.28 1.01 -1.26 -1.75 120.40 122.29 2i03 s VAL 558 Ca 0.44 1.31 -0.25 0.00 0.00 0.00 0.00 61.98 63.49 2i03 s VAL 558 Cb 0.28 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 2i03 s VAL 558 CO 0.21 0.23 0.79 0.12 0.00 0.00 0.00 175.10 176.46 2i03 s PHE 559 N -0.29 3.43 0.08 5.22 5.36 0.52 -4.92 117.98 127.38 2i03 s PHE 559 Ca 0.51 1.22 0.05 0.00 -0.96 0.00 0.00 56.93 57.75 2i03 s PHE 559 Cb -0.33 -2.97 -0.03 0.00 -0.34 0.00 0.00 43.02 39.35 2i03 s PHE 559 CO 0.38 -0.20 -0.14 1.03 -1.46 0.00 0.00 175.22 174.84 2i03 s ARG 560 N 1.99 0.85 -0.53 10.12 0.52 -1.26 -4.89 118.95 125.74 2i03 s ARG 560 Ca 0.37 -1.02 0.04 0.00 -0.52 0.00 0.00 55.73 54.60 2i03 s ARG 560 Cb -0.17 -0.79 0.15 0.00 0.52 0.00 0.00 34.95 34.66 2i03 s ARG 560 CO 0.13 0.17 0.32 -0.51 0.02 0.00 0.00 175.30 175.43 2i03 s LEU 561 N -1.93 3.60 0.00 2.53 1.02 -1.26 -4.88 118.68 117.76 2i03 s LEU 561 Ca 0.00 -3.12 0.00 0.00 0.02 0.00 0.00 54.13 51.04 2i03 s LEU 561 Cb -0.08 -1.31 0.00 0.00 0.02 0.00 0.00 46.19 44.82 2i03 s LEU 561 CO 0.02 -0.20 0.00 -0.46 0.02 0.00 0.00 176.35 175.73 2i03 n ASN 562 N 2.92 0.96 -0.19 2.29 0.23 -1.26 -4.99 115.26 115.22 2i03 n ASN 562 Ca 0.13 -0.21 0.00 0.00 -0.53 0.00 0.00 54.58 53.97 2i03 n ASN 562 Cb 0.35 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.30 2i03 n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2i03 h TRP 563 N 0.21 0.91 0.00 -2.53 7.01 -1.98 -2.10 115.95 117.48 2i03 h TRP 563 Ca 0.00 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 60.94 2i03 h TRP 563 Cb 0.00 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 26.75 2i03 h TRP 563 CO 0.00 0.60 -0.29 0.00 -2.79 0.00 0.00 178.44 175.96 2i03 h ALA 564 N 1.51 1.51 -0.15 2.65 0.00 -1.98 -1.61 119.26 121.19 2i03 h ALA 564 Ca 0.25 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2i03 h ALA 564 Cb -0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2i03 h ALA 564 CO -0.05 0.36 0.10 1.15 0.00 0.00 0.00 179.25 180.81 2i03 h THR 565 N 0.00 1.03 -0.23 0.00 2.02 -1.72 -2.18 112.91 111.84 2i03 h THR 565 Ca -0.00 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 2i03 h THR 565 Cb 0.52 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2i03 h THR 565 CO 0.04 0.04 0.06 0.22 0.37 0.00 0.00 175.52 176.24 2i03 h TYR 566 N 0.20 0.39 -0.93 3.16 3.20 -1.42 0.17 116.97 121.74 2i03 h TYR 566 Ca 0.05 -0.05 0.10 0.00 3.14 0.00 0.00 58.73 61.97 2i03 h TYR 566 Cb -0.02 -0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.07 2i03 h TYR 566 CO -0.07 0.47 0.60 -0.07 -1.64 0.00 0.00 178.16 177.45 2i03 h LEU 567 N 0.20 0.86 0.00 2.82 3.38 -1.19 0.10 115.31 121.48 2i03 h LEU 567 Ca 0.07 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2i03 h LEU 567 Cb 0.28 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2i03 h LEU 567 CO 0.00 0.50 -0.00 0.00 0.09 0.00 0.00 178.44 179.03 2i03 h ALA 568 N 1.54 -0.00 -0.29 1.53 0.00 -1.27 -0.90 119.26 119.86 2i03 h ALA 568 Ca 0.43 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2i03 h ALA 568 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2i03 h ALA 568 CO -0.19 -0.00 0.11 1.03 0.00 0.00 0.00 179.25 180.20 2i03 h SER 569 N -1.00 0.40 0.03 0.00 0.87 -0.49 -2.58 113.55 110.79 2i03 h SER 569 Ca -0.00 -0.17 -0.38 0.00 -1.23 0.00 0.00 61.79 60.01 2i03 h SER 569 Cb 0.94 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.74 2i03 h SER 569 CO 0.00 0.46 -2.24 0.41 -0.53 0.00 0.00 176.83 174.93 2i03 n THR 570 N -4.74 1.58 1.35 2.23 -1.04 0.34 -4.52 114.28 109.48 2i03 n THR 570 Ca -0.02 -0.50 0.13 0.00 -2.04 0.00 0.00 64.05 61.62 2i03 n THR 570 Cb 0.14 -1.66 0.40 0.00 -1.82 0.00 0.00 70.33 67.38 2i03 n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2i03 n GLU 571 N -3.64 1.74 -3.85 -2.82 -0.58 -0.96 -4.95 120.64 105.58 2i03 n GLU 571 Ca -0.43 -1.16 -0.28 0.00 -0.42 0.00 0.00 57.16 54.88 2i03 n GLU 571 Cb 0.95 -1.48 0.03 0.00 -0.57 0.00 0.00 31.44 30.38 2i03 n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2i03 n ASN 572 N 0.38 -4.28 -4.67 1.62 5.03 -0.72 -4.92 115.26 107.71 2i03 n ASN 572 Ca 0.17 -0.77 -0.35 0.00 0.87 0.00 0.00 54.58 54.51 2i03 n ASN 572 Cb 0.42 -4.02 -0.10 0.00 -1.02 0.00 0.00 39.78 35.06 2i03 n ASN 572 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2i03 s ILE 573 N -3.37 4.32 0.05 2.41 1.01 -0.42 -4.52 121.20 120.67 2i03 s ILE 573 Ca 0.54 -0.24 -0.23 0.00 0.00 0.00 0.00 60.65 60.72 2i03 s ILE 573 Cb -0.27 -2.83 -0.06 0.00 0.01 0.00 0.00 42.46 39.32 2i03 s ILE 573 CO 0.82 0.59 0.69 -0.63 0.00 0.00 0.00 174.94 176.41 2i03 s ILE 574 N -0.73 4.73 -0.19 2.92 1.01 -0.92 -3.45 121.20 124.58 2i03 s ILE 574 Ca 0.11 1.47 0.01 0.00 0.00 0.00 0.00 60.65 62.24 2i03 s ILE 574 Cb -0.12 -4.03 0.02 0.00 0.01 0.00 0.00 42.46 38.34 2i03 s ILE 574 CO 0.02 0.43 -0.18 -0.69 0.00 0.00 0.00 174.94 174.52 2i03 s VAL 575 N -0.39 2.19 0.20 2.92 1.01 -1.05 -0.51 120.40 124.77 2i03 s VAL 575 Ca 0.35 -0.94 0.11 0.00 0.00 0.00 0.00 61.98 61.49 2i03 s VAL 575 Cb -0.20 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 2i03 s VAL 575 CO 0.21 0.49 -0.24 0.00 0.00 0.00 0.00 175.10 175.57 2i03 s ALA 576 N 1.30 2.54 0.00 5.51 0.00 0.08 0.28 121.76 131.47 2i03 s ALA 576 Ca 0.04 -1.66 0.01 0.00 0.00 0.00 0.00 51.96 50.36 2i03 s ALA 576 Cb -0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 2i03 s ALA 576 CO -0.12 0.42 -0.04 -1.12 0.00 0.00 0.00 175.76 174.90 2i03 s SER 577 N -2.73 0.42 -0.03 0.00 0.01 -0.47 0.44 113.70 111.34 2i03 s SER 577 Ca 0.21 -0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.34 2i03 s SER 577 Cb -0.08 -0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.14 2i03 s SER 577 CO 0.10 -0.02 -0.08 0.12 0.41 0.00 0.00 173.24 173.77 2i03 s PHE 578 N -0.33 0.95 -0.68 2.43 5.36 -1.26 -0.87 117.98 123.57 2i03 s PHE 578 Ca -0.01 -0.26 -0.12 0.00 -0.96 0.00 0.00 56.93 55.57 2i03 s PHE 578 Cb -0.03 -0.71 0.18 0.00 -0.34 0.00 0.00 43.02 42.11 2i03 s PHE 578 CO -0.00 -0.14 0.60 -0.51 -1.46 0.00 0.00 175.22 173.71 2i03 s ASP 579 N 0.42 6.29 0.00 6.13 1.01 -0.18 -4.83 116.67 125.51 2i03 s ASP 579 Ca -0.07 -2.39 0.00 0.00 0.71 0.00 0.00 52.55 50.80 2i03 s ASP 579 Cb -0.11 -2.14 0.00 0.00 1.01 0.00 0.00 42.92 41.68 2i03 s ASP 579 CO 0.01 -0.63 0.00 0.61 0.21 0.00 0.00 175.17 175.37 2i03 n GLY 580 N 4.35 1.35 3.68 0.21 0.00 -1.26 -4.07 105.19 109.45 2i03 n GLY 580 Ca 0.03 -1.95 -0.45 0.00 0.00 0.00 0.00 46.02 43.66 2i03 n GLY 580 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i03 n ARG 581 N 0.00 2.15 0.00 1.61 1.74 -1.26 -1.11 116.66 119.78 2i03 n ARG 581 Ca 0.00 0.77 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 2i03 n ARG 581 Cb 0.00 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 28.95 2i03 n ARG 581 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2i03 n GLY 582 N 2.76 1.60 3.46 -0.13 0.00 -0.28 -4.02 105.19 108.59 2i03 n GLY 582 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2i03 n GLY 582 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2i03 n SER 583 N 0.00 -1.14 -4.97 1.61 7.64 -0.27 -0.50 113.62 115.99 2i03 n SER 583 Ca 0.00 0.64 -0.23 0.00 1.01 0.00 0.00 58.87 60.29 2i03 n SER 583 Cb 0.00 -1.20 0.03 0.00 -1.01 0.00 0.00 64.21 62.03 2i03 n SER 583 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2i03 s GLY 584 N -1.36 2.05 -0.55 0.23 0.00 -0.69 -3.37 107.32 103.62 2i03 s GLY 584 Ca 0.67 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.68 2i03 s GLY 584 CO 0.57 -1.81 0.00 -1.72 0.00 0.00 0.00 173.10 170.13 2i03 n TYR 585 N -2.01 0.00 -1.31 1.90 4.01 -1.26 -4.84 117.16 113.65 2i03 n TYR 585 Ca 0.07 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.84 2i03 n TYR 585 Cb 0.63 -1.57 0.05 0.00 -0.31 0.00 0.00 39.34 38.14 2i03 n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2i03 n GLN 586 N -1.65 0.79 0.00 -0.72 6.02 -1.26 -4.46 117.38 116.10 2i03 n GLN 586 Ca -0.05 -1.52 0.00 0.00 -0.01 0.00 0.00 57.00 55.42 2i03 n GLN 586 Cb 0.32 -0.90 0.00 0.00 1.02 0.00 0.00 30.24 30.68 2i03 n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2i03 n GLY 587 N -0.54 0.80 0.18 1.08 0.00 -1.26 -4.68 105.19 100.77 2i03 n GLY 587 Ca 0.05 -1.72 0.02 0.00 0.00 0.00 0.00 46.02 44.38 2i03 n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2i03 h ASP 588 N 0.00 0.00 -1.00 1.61 3.32 -0.84 -2.72 116.42 116.79 2i03 h ASP 588 Ca 0.00 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.19 2i03 h ASP 588 Cb 0.00 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.46 2i03 h ASP 588 CO 0.00 0.39 0.62 0.50 -1.72 0.00 0.00 179.24 179.03 2i03 h LYS 589 N 0.00 0.88 0.02 3.56 3.64 -1.87 0.61 116.57 123.41 2i03 h LYS 589 Ca -0.00 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2i03 h LYS 589 Cb 0.69 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2i03 h LYS 589 CO 0.05 0.58 -0.01 0.82 -2.27 0.00 0.00 179.45 178.63 2i03 h ILE 590 N 0.91 1.16 -0.42 2.00 2.04 -1.81 -3.24 117.51 118.16 2i03 h ILE 590 Ca 0.52 -1.81 -0.02 0.00 1.00 0.00 0.00 64.86 64.55 2i03 h ILE 590 Cb 0.62 2.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 2i03 h ILE 590 CO -0.30 0.38 0.17 -0.03 0.00 0.00 0.00 178.15 178.37 2i03 h MET 591 N -0.98 0.62 -0.00 2.37 4.05 -1.18 -0.65 114.93 119.17 2i03 h MET 591 Ca -0.00 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 2i03 h MET 591 Cb 0.65 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 2i03 h MET 591 CO 0.00 0.58 0.00 0.72 0.23 0.00 0.00 176.91 178.44 2i03 n HIS 592 N -4.63 0.01 0.29 1.39 8.25 0.21 -3.91 115.22 116.81 2i03 n HIS 592 Ca 0.00 -0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 2i03 n HIS 592 Cb 0.14 0.00 0.85 0.00 1.12 0.00 0.00 29.99 32.10 2i03 n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2i03 h ALA 593 N 3.72 1.65 -0.54 -1.41 0.00 -1.50 -1.92 119.26 119.26 2i03 h ALA 593 Ca 0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2i03 h ALA 593 Cb 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 2i03 h ALA 593 CO 0.00 -0.01 0.14 0.44 0.00 0.00 0.00 179.25 179.82 2i03 n ILE 594 N -4.01 2.70 -1.77 0.00 -5.35 -1.25 -4.92 119.36 104.75 2i03 n ILE 594 Ca -0.03 -1.89 -0.42 0.00 -0.27 0.00 0.00 62.75 60.14 2i03 n ILE 594 Cb 0.09 -0.32 -0.03 0.00 -1.74 0.00 0.00 39.64 37.64 2i03 n ILE 594 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2i03 s ASN 595 N -1.53 6.44 0.00 7.28 3.04 -0.72 -1.05 114.94 128.39 2i03 s ASN 595 Ca 0.50 2.78 0.00 0.00 0.04 0.00 0.00 52.86 56.18 2i03 s ASN 595 Cb 0.41 -2.59 0.00 0.00 -1.54 0.00 0.00 41.25 37.53 2i03 s ASN 595 CO 0.10 -0.95 0.00 0.54 -3.04 0.00 0.00 177.10 173.75 2i03 n ARG 596 N 4.39 -0.44 -2.69 0.43 1.74 0.12 -4.82 116.66 115.38 2i03 n ARG 596 Ca 0.16 0.11 -0.22 0.00 -0.77 0.00 0.00 57.85 57.13 2i03 n ARG 596 Cb 0.37 -4.29 -0.00 0.00 -1.02 0.00 0.00 32.46 27.51 2i03 n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2i03 n ARG 597 N -1.38 2.58 -2.00 5.56 5.12 -0.22 -4.87 116.66 121.45 2i03 n ARG 597 Ca 0.00 -4.16 -0.38 0.00 -1.93 0.00 0.00 57.85 51.38 2i03 n ARG 597 Cb 0.11 -1.95 0.01 0.00 -1.16 0.00 0.00 32.46 29.48 2i03 n ARG 597 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2i03 s LEU 598 N -3.31 3.98 0.00 0.55 1.43 -1.23 -2.94 118.68 117.17 2i03 s LEU 598 Ca 0.42 2.59 0.00 0.00 -1.03 0.00 0.00 54.13 56.11 2i03 s LEU 598 Cb 0.38 -4.18 0.00 0.00 0.03 0.00 0.00 46.19 42.42 2i03 s LEU 598 CO -0.11 -1.20 0.00 0.61 0.23 0.00 0.00 176.35 175.88 2i03 n GLY 599 N 0.61 0.52 0.00 -3.19 0.00 -1.26 -4.86 105.19 97.00 2i03 n GLY 599 Ca 0.08 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2i03 n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2i03 n THR 600 N -2.84 0.00 -0.25 2.61 -2.24 -1.15 -4.77 114.28 105.63 2i03 n THR 600 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 2i03 n THR 600 Cb 0.00 -0.04 0.40 0.00 -2.10 0.00 0.00 70.33 68.58 2i03 n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2i03 h PHE 601 N 0.00 0.76 0.00 4.78 0.04 -1.93 -1.82 116.94 118.78 2i03 h PHE 601 Ca 0.00 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 2i03 h PHE 601 Cb 0.00 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 37.90 2i03 h PHE 601 CO 0.00 0.28 -0.15 1.05 -0.60 0.00 0.00 178.31 178.90 2i03 h GLU 602 N 0.65 0.00 0.10 1.51 9.09 -1.90 0.43 114.58 124.46 2i03 h GLU 602 Ca 0.43 0.00 -0.35 0.00 0.05 0.00 0.00 59.36 59.49 2i03 h GLU 602 Cb 0.73 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.81 2i03 h GLU 602 CO -0.19 0.15 -1.92 1.33 0.05 0.00 0.00 179.01 178.43 2i03 n VAL 603 N -3.42 1.74 -0.26 -1.06 0.24 -0.88 -3.32 118.33 111.37 2i03 n VAL 603 Ca -0.01 -0.57 0.05 0.00 -2.04 0.00 0.00 64.34 61.77 2i03 n VAL 603 Cb 0.33 -1.77 0.28 0.00 -1.47 0.00 0.00 33.84 31.21 2i03 n VAL 603 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2i03 h GLU 604 N -0.08 0.91 -0.04 7.34 5.08 -1.19 -1.03 114.58 125.57 2i03 h GLU 604 Ca -0.42 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 57.75 2i03 h GLU 604 Cb 1.93 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.96 2i03 h GLU 604 CO 0.04 0.60 -0.57 -0.44 -1.00 0.00 0.00 179.01 177.64 2i03 h ASP 605 N 0.94 0.12 -0.18 1.42 3.32 -1.05 -0.63 116.42 120.36 2i03 h ASP 605 Ca 0.36 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 57.21 2i03 h ASP 605 Cb 0.21 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2i03 h ASP 605 CO -0.13 0.67 -0.35 -0.61 -1.72 0.00 0.00 179.24 177.10 2i03 h GLN 606 N 0.08 0.70 -0.39 3.56 5.75 -1.23 -1.10 115.11 122.48 2i03 h GLN 606 Ca -0.00 -0.34 -0.07 0.00 -0.15 0.00 0.00 58.65 58.09 2i03 h GLN 606 Cb 1.04 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.57 2i03 h GLN 606 CO 0.08 0.95 -0.04 0.82 -2.65 0.00 0.00 178.83 177.99 2i03 h ILE 607 N 0.58 1.27 -0.21 2.39 2.04 -0.95 -2.65 117.51 119.97 2i03 h ILE 607 Ca 0.06 -1.07 -0.05 0.00 1.00 0.00 0.00 64.86 64.79 2i03 h ILE 607 Cb 0.88 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 2i03 h ILE 607 CO 0.08 0.36 -0.09 -0.08 0.00 0.00 0.00 178.15 178.42 2i03 h GLU 608 N 0.53 0.34 0.47 2.37 4.57 -0.90 -1.77 114.58 120.19 2i03 h GLU 608 Ca 0.11 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 2i03 h GLU 608 Cb 0.53 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 2i03 h GLU 608 CO 0.03 0.44 -0.23 0.00 -1.18 0.00 0.00 179.01 178.07 2i03 h ALA 609 N 1.59 -0.64 -0.54 2.92 0.00 -0.99 -1.43 119.26 120.18 2i03 h ALA 609 Ca 0.07 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 54.91 2i03 h ALA 609 Cb 0.36 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 18.29 2i03 h ALA 609 CO 0.02 -0.76 -0.16 0.00 0.00 0.00 0.00 179.25 178.35 2i03 h ALA 610 N -0.40 0.31 -0.81 0.00 0.00 -1.29 0.59 119.26 117.66 2i03 h ALA 610 Ca -0.07 0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.15 2i03 h ALA 610 Cb 0.57 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 2i03 h ALA 610 CO 0.11 -0.46 0.53 -0.09 0.00 0.00 0.00 179.25 179.33 2i03 h ARG 611 N -0.03 0.73 0.00 0.00 2.43 -1.21 -0.90 114.38 115.40 2i03 h ARG 611 Ca 0.26 -0.04 -0.22 0.00 -0.81 0.00 0.00 59.98 59.17 2i03 h ARG 611 Cb 0.42 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 2i03 h ARG 611 CO -0.57 0.48 -1.16 1.96 -1.51 0.00 0.00 179.97 179.17 2i03 h GLN 612 N 0.75 0.00 -0.49 0.20 4.20 0.50 -3.18 115.11 117.10 2i03 h GLN 612 Ca 0.38 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.05 2i03 h GLN 612 Cb 0.45 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 2i03 h GLN 612 CO -0.15 0.76 0.15 0.74 -0.67 0.00 0.00 178.83 179.67 2i03 h PHE 613 N 0.00 0.78 0.00 2.96 0.04 0.94 -1.94 116.94 119.72 2i03 h PHE 613 Ca -0.09 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.59 2i03 h PHE 613 Cb 1.78 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 39.70 2i03 h PHE 613 CO 0.00 0.68 -0.05 0.66 -0.60 0.00 0.00 178.31 179.00 2i03 h SER 614 N 0.65 0.00 -0.30 2.17 4.64 -1.27 -1.87 113.55 117.58 2i03 h SER 614 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2i03 h SER 614 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2i03 h SER 614 CO -0.01 0.05 0.00 0.29 -0.87 0.00 0.00 176.83 176.29 2i03 n LYS 615 N -3.44 2.06 0.01 4.77 4.76 -0.74 -3.58 118.16 122.00 2i03 n LYS 615 Ca -0.02 -1.23 0.11 0.00 -2.87 0.00 0.00 58.31 54.30 2i03 n LYS 615 Cb 0.17 -1.44 0.01 0.00 -1.84 0.00 0.00 35.03 31.93 2i03 n LYS 615 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2i03 n MET 616 N 0.39 0.10 0.00 1.97 2.81 -0.70 -5.00 117.12 116.68 2i03 n MET 616 Ca 0.11 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 2i03 n MET 616 Cb 0.40 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 2i03 n MET 616 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2i03 n GLY 617 N 1.46 1.74 0.73 3.03 0.00 -1.24 -4.92 105.19 106.00 2i03 n GLY 617 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.10 2i03 n GLY 617 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2i03 n PHE 618 N -2.00 0.63 -4.95 1.61 1.16 -1.26 -4.67 117.46 107.99 2i03 n PHE 618 Ca 0.00 -1.21 -0.30 0.00 -1.87 0.00 0.00 57.45 54.07 2i03 n PHE 618 Cb 0.00 -0.32 -0.17 0.00 -1.61 0.00 0.00 39.48 37.38 2i03 n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2i03 s VAL 619 N -3.02 1.77 -0.79 1.97 1.01 -1.26 -0.48 120.40 119.60 2i03 s VAL 619 Ca 0.40 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 61.29 2i03 s VAL 619 Cb 0.35 -1.55 0.05 0.00 0.00 0.00 0.00 36.38 35.23 2i03 s VAL 619 CO 0.03 0.50 1.22 -0.62 0.00 0.00 0.00 175.10 176.22 2i03 s ASP 620 N 0.52 6.26 0.00 3.32 -1.08 0.71 -4.74 116.67 121.66 2i03 s ASP 620 Ca -0.16 -0.90 0.03 0.00 -0.52 0.00 0.00 52.55 51.00 2i03 s ASP 620 Cb -0.17 -2.51 0.16 0.00 -1.46 0.00 0.00 42.92 38.93 2i03 s ASP 620 CO 0.06 -1.62 0.67 -0.46 0.52 0.00 0.00 175.17 174.34 2i03 n ASN 621 N 8.64 0.00 -0.32 -0.34 0.23 -1.26 -0.04 115.26 122.17 2i03 n ASN 621 Ca 0.08 -0.05 0.13 0.00 -0.53 0.00 0.00 54.58 54.21 2i03 n ASN 621 Cb 0.48 -0.03 0.29 0.00 -2.08 0.00 0.00 39.78 38.45 2i03 n ASN 621 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2i03 n LYS 622 N -1.03 0.98 -3.21 -3.83 5.02 -1.26 -4.46 118.16 110.37 2i03 n LYS 622 Ca 0.02 -0.65 -0.23 0.00 -2.02 0.00 0.00 58.31 55.43 2i03 n LYS 622 Cb 0.01 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.47 2i03 n LYS 622 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2i03 n ARG 623 N -0.45 1.00 -4.32 1.97 1.74 0.95 -4.87 116.66 112.68 2i03 n ARG 623 Ca 0.12 -3.44 -0.33 0.00 -0.77 0.00 0.00 57.85 53.43 2i03 n ARG 623 Cb 0.38 -1.43 -0.16 0.00 -1.02 0.00 0.00 32.46 30.23 2i03 n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2i03 s ILE 624 N -1.63 2.40 0.39 0.55 1.01 -1.26 -0.57 121.20 122.10 2i03 s ILE 624 Ca 0.37 -0.84 0.07 0.00 0.00 0.00 0.00 60.65 60.24 2i03 s ILE 624 Cb 0.20 -2.01 -0.08 0.00 0.01 0.00 0.00 42.46 40.58 2i03 s ILE 624 CO -0.10 0.52 0.01 0.00 0.00 0.00 0.00 174.94 175.37 2i03 s ALA 625 N 1.08 3.04 -0.03 9.38 0.00 0.22 -1.40 121.76 134.06 2i03 s ALA 625 Ca -0.00 -2.26 -0.08 0.00 0.00 0.00 0.00 51.96 49.62 2i03 s ALA 625 Cb -0.14 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.20 2i03 s ALA 625 CO -0.06 -0.13 0.17 -1.50 0.00 0.00 0.00 175.76 174.25 2i03 s ILE 626 N -2.78 0.05 0.11 0.00 2.07 -1.09 0.50 121.20 120.06 2i03 s ILE 626 Ca 0.35 -0.40 -0.20 0.00 -1.41 0.00 0.00 60.65 58.99 2i03 s ILE 626 Cb 0.09 -0.38 0.05 0.00 0.13 0.00 0.00 42.46 42.35 2i03 s ILE 626 CO 0.17 -0.22 0.50 -1.66 -1.91 0.00 0.00 174.94 171.83 2i03 s TRP 627 N -0.79 -0.38 0.08 3.50 1.48 -0.29 -1.62 118.94 120.92 2i03 s TRP 627 Ca -0.09 0.22 -0.27 0.00 -1.06 0.00 0.00 56.10 54.90 2i03 s TRP 627 Cb -0.05 0.38 0.09 0.00 -1.16 0.00 0.00 33.47 32.73 2i03 s TRP 627 CO 0.01 -0.73 1.08 0.20 -4.06 0.00 0.00 176.95 173.45 2i03 s GLY 628 N -2.52 -0.30 -0.02 3.67 0.00 -1.04 -0.69 107.32 106.42 2i03 s GLY 628 Ca -0.00 0.38 0.06 0.00 0.00 0.00 0.00 44.72 45.15 2i03 s GLY 628 CO -0.09 0.06 -0.20 0.86 0.00 0.00 0.00 173.10 173.73 2i03 s TRP 629 N -2.96 1.86 0.00 1.90 -0.11 -1.26 -2.21 118.94 116.16 2i03 s TRP 629 Ca 0.13 -0.40 0.00 0.00 1.22 0.00 0.00 56.10 57.05 2i03 s TRP 629 Cb 0.01 -1.21 0.00 0.00 -1.50 0.00 0.00 33.47 30.77 2i03 s TRP 629 CO -0.00 -0.07 0.00 0.45 -4.62 0.00 0.00 176.95 172.71 2i03 n SER 630 N 2.69 0.00 -0.31 5.86 2.88 -0.25 -0.57 113.62 123.91 2i03 n SER 630 Ca -0.16 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.43 2i03 n SER 630 Cb 0.53 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.23 2i03 n SER 630 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2i03 h TYR 631 N 0.00 1.05 0.00 0.66 5.03 -1.86 0.66 116.97 122.50 2i03 h TYR 631 Ca 0.00 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 2i03 h TYR 631 Cb 0.00 -0.34 -0.00 0.00 1.55 0.00 0.00 36.73 37.93 2i03 h TYR 631 CO 0.00 0.53 -0.14 0.78 -1.32 0.00 0.00 178.16 178.01 2i03 h GLY 632 N 1.01 0.00 1.39 1.82 0.00 -0.80 0.04 103.07 106.53 2i03 h GLY 632 Ca 0.41 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.57 2i03 h GLY 632 CO -0.16 0.00 -0.57 -1.33 0.00 0.00 0.00 176.54 174.48 2i03 h GLY 633 N 0.45 0.69 0.80 4.60 0.00 0.23 -0.85 103.07 109.00 2i03 h GLY 633 Ca -0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 47.33 46.50 2i03 h GLY 633 CO 0.02 0.74 -0.08 -1.82 0.00 0.00 0.00 176.54 175.39 2i03 h TYR 634 N 0.48 -0.21 -0.39 5.60 3.20 0.57 -1.52 116.97 124.70 2i03 h TYR 634 Ca 0.01 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.88 2i03 h TYR 634 Cb 1.13 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.45 2i03 h TYR 634 CO 0.05 0.03 0.24 0.28 -1.64 0.00 0.00 178.16 177.12 2i03 h VAL 635 N -0.44 1.07 -0.29 1.81 2.07 -1.08 -0.64 116.25 118.75 2i03 h VAL 635 Ca -0.02 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.39 2i03 h VAL 635 Cb 0.34 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 2i03 h VAL 635 CO 0.04 0.09 -0.10 0.74 0.02 0.00 0.00 177.57 178.35 2i03 h THR 636 N 0.49 0.64 -0.76 2.57 2.02 -1.06 0.31 112.91 117.13 2i03 h THR 636 Ca 0.15 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 2i03 h THR 636 Cb -0.02 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 2i03 h THR 636 CO -0.05 0.00 0.38 0.28 0.37 0.00 0.00 175.52 176.50 2i03 h SER 637 N -0.05 0.97 -0.44 4.18 0.02 -0.91 0.22 113.55 117.54 2i03 h SER 637 Ca 0.14 -0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 60.86 2i03 h SER 637 Cb 0.27 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2i03 h SER 637 CO -0.32 0.80 -0.24 0.24 -1.14 0.00 0.00 176.83 176.17 2i03 h MET 638 N 1.07 0.95 -0.06 3.45 2.86 -0.39 -0.70 114.93 122.11 2i03 h MET 638 Ca 0.27 -0.41 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 2i03 h MET 638 Cb 0.08 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 2i03 h MET 638 CO -0.04 1.08 0.00 0.28 1.06 0.00 0.00 176.91 179.30 2i03 h VAL 639 N 0.82 1.24 0.00 -2.22 2.07 -0.65 -1.65 116.25 115.86 2i03 h VAL 639 Ca 0.10 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 2i03 h VAL 639 Cb 0.81 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 2i03 h VAL 639 CO 0.07 0.20 -0.08 -0.07 0.02 0.00 0.00 177.57 177.71 2i03 h LEU 640 N -0.16 0.00 -2.88 2.57 3.38 -0.85 -1.58 115.31 115.79 2i03 h LEU 640 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2i03 h LEU 640 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2i03 h LEU 640 CO 0.00 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.22 2i03 n GLY 641 N -0.72 2.60 0.20 0.83 0.00 -0.28 -4.30 105.19 103.53 2i03 n GLY 641 Ca -0.02 -0.80 0.11 0.00 0.00 0.00 0.00 46.02 45.31 2i03 n GLY 641 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2i03 h SER 642 N 4.16 0.00 -0.68 1.61 4.64 -0.31 -3.43 113.55 119.54 2i03 h SER 642 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2i03 h SER 642 Cb 1.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 2i03 h SER 642 CO 0.07 0.06 -0.15 0.61 -0.87 0.00 0.00 176.83 176.56 2i03 n GLY 643 N 1.13 0.40 0.16 -0.77 0.00 -1.26 -4.91 105.19 99.93 2i03 n GLY 643 Ca 0.03 -0.68 0.03 0.00 0.00 0.00 0.00 46.02 45.41 2i03 n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2i03 h SER 644 N 0.00 0.00 0.00 1.61 4.64 -1.90 -3.47 113.55 114.43 2i03 h SER 644 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2i03 h SER 644 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2i03 h SER 644 CO 0.18 0.48 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 2i03 n GLY 645 N 0.74 0.84 0.30 -0.77 0.00 -1.26 -4.85 105.19 100.19 2i03 n GLY 645 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 2i03 n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2i03 h VAL 646 N 0.00 1.26 -3.25 1.61 2.07 -1.96 -3.43 116.25 112.56 2i03 h VAL 646 Ca 0.00 -1.06 -0.60 0.00 0.82 0.00 0.00 66.70 65.86 2i03 h VAL 646 Cb 0.00 0.75 -0.11 0.00 -1.52 0.00 0.00 31.29 30.41 2i03 h VAL 646 CO 0.00 0.39 -0.43 -0.36 0.02 0.00 0.00 177.57 177.19 2i03 s PHE 647 N -5.13 3.44 0.02 1.57 0.40 -1.26 -4.67 117.98 112.34 2i03 s PHE 647 Ca -0.12 0.43 -0.19 0.00 -0.60 0.00 0.00 56.93 56.45 2i03 s PHE 647 Cb 0.13 -2.21 -0.20 0.00 0.51 0.00 0.00 43.02 41.25 2i03 s PHE 647 CO 0.84 0.30 1.17 -0.22 0.70 0.00 0.00 175.22 178.01 2i03 h LYS 648 N 6.58 0.43 -4.04 0.44 3.64 -1.51 -3.45 116.57 118.66 2i03 h LYS 648 Ca -0.42 -0.38 -0.19 0.00 -1.27 0.00 0.00 60.65 58.39 2i03 h LYS 648 Cb 1.16 0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.97 2i03 h LYS 648 CO 0.75 1.03 -0.25 0.00 -2.27 0.00 0.00 179.45 178.71 2i03 s GLY 650 N -3.14 -0.39 -0.13 0.00 0.00 -0.15 -2.67 107.32 100.84 2i03 s GLY 650 Ca 0.29 1.41 0.01 0.00 0.00 0.00 0.00 44.72 46.44 2i03 s GLY 650 CO 0.15 0.60 -0.15 -0.42 0.00 0.00 0.00 173.10 173.28 2i03 s ILE 651 N -2.33 1.57 -0.22 0.90 1.01 -0.64 -1.28 121.20 120.21 2i03 s ILE 651 Ca 0.03 -0.66 -0.05 0.00 0.00 0.00 0.00 60.65 59.97 2i03 s ILE 651 Cb -0.01 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 2i03 s ILE 651 CO -0.05 0.46 -0.02 0.00 0.00 0.00 0.00 174.94 175.33 2i03 s ALA 652 N 1.23 2.89 -0.22 9.38 0.00 -0.29 -2.48 121.76 132.27 2i03 s ALA 652 Ca -0.01 -1.14 -0.04 0.00 0.00 0.00 0.00 51.96 50.77 2i03 s ALA 652 Cb -0.14 -1.77 -0.01 0.00 0.00 0.00 0.00 23.12 21.20 2i03 s ALA 652 CO -0.06 -0.40 -0.04 0.08 0.00 0.00 0.00 175.76 175.34 2i03 s VAL 653 N 1.44 3.42 -1.39 0.00 1.01 -0.94 -1.10 120.40 122.84 2i03 s VAL 653 Ca 0.05 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 2i03 s VAL 653 Cb -0.14 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.68 2i03 s VAL 653 CO -0.01 0.42 0.41 0.00 0.00 0.00 0.00 175.10 175.92 2i03 n ALA 654 N 4.77 -2.07 -2.03 5.51 0.00 0.29 -1.09 120.51 125.89 2i03 n ALA 654 Ca -0.18 -0.29 -0.30 0.00 0.00 0.00 0.00 53.44 52.67 2i03 n ALA 654 Cb 0.51 -1.64 -0.00 0.00 0.00 0.00 0.00 19.45 18.31 2i03 n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2i03 s PRO 655 N -6.61 3.65 0.17 0.00 0.04 -1.26 -3.18 135.00 127.81 2i03 s PRO 655 Ca 0.05 0.57 -0.25 0.00 0.04 0.00 0.00 61.00 61.40 2i03 s PRO 655 Cb -0.02 -2.22 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 2i03 s PRO 655 CO 0.90 -0.35 0.78 0.08 0.04 0.00 0.00 177.00 178.45 2i03 s VAL 656 N -2.88 4.36 -0.05 -0.36 1.01 -1.25 -4.50 120.40 116.73 2i03 s VAL 656 Ca 0.53 1.71 0.07 0.00 0.00 0.00 0.00 61.98 64.28 2i03 s VAL 656 Cb -0.11 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.04 2i03 s VAL 656 CO 0.46 0.50 0.06 -1.54 0.00 0.00 0.00 175.10 174.58 2i03 n SER 657 N 1.53 3.22 -3.67 3.32 3.41 -1.26 -4.28 113.62 115.89 2i03 n SER 657 Ca -0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.46 2i03 n SER 657 Cb 0.49 0.86 -0.08 0.00 -0.26 0.00 0.00 64.21 65.22 2i03 n SER 657 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i03 s ARG 658 N -2.27 0.62 0.43 4.33 1.70 -1.26 -0.12 118.95 122.37 2i03 s ARG 658 Ca -0.03 0.98 0.29 0.00 -0.47 0.00 0.00 55.73 56.50 2i03 s ARG 658 Cb 0.03 0.16 1.58 0.00 -0.57 0.00 0.00 34.95 36.15 2i03 s ARG 658 CO 0.30 -0.13 1.90 -1.49 -1.08 0.00 0.00 175.30 174.80 2i03 h TRP 659 N 6.42 0.00 0.00 5.89 4.06 -1.85 -1.46 115.95 129.01 2i03 h TRP 659 Ca -0.31 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.64 2i03 h TRP 659 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.36 2i03 h TRP 659 CO 0.22 0.00 0.00 0.39 -3.56 0.00 0.00 178.44 175.49 2i03 n GLU 660 N -2.53 0.05 0.09 0.49 1.02 -1.26 -2.77 120.64 115.73 2i03 n GLU 660 Ca -0.02 0.11 0.12 0.00 -0.02 0.00 0.00 57.16 57.35 2i03 n GLU 660 Cb 0.05 -1.57 0.13 0.00 -0.02 0.00 0.00 31.44 30.03 2i03 n GLU 660 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 2i03 h TYR 661 N 0.00 0.00 -2.61 -0.32 0.05 -1.63 -3.33 116.97 109.13 2i03 h TYR 661 Ca 0.00 0.00 -0.47 0.00 0.05 0.00 0.00 58.73 58.31 2i03 h TYR 661 Cb 0.47 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.22 2i03 h TYR 661 CO 0.00 0.00 -0.22 -0.47 -1.05 0.00 0.00 178.16 176.42 2i03 s TYR 662 N -3.23 3.40 0.61 4.88 5.04 -1.11 -4.84 117.35 122.10 2i03 s TYR 662 Ca 0.04 0.22 -0.19 0.00 -2.44 0.00 0.00 57.07 54.71 2i03 s TYR 662 Cb 0.11 -1.94 -0.03 0.00 0.35 0.00 0.00 41.96 40.45 2i03 s TYR 662 CO 0.73 0.06 1.15 -0.40 -1.34 0.00 0.00 175.55 175.74 2i03 n ASP 663 N -1.78 1.53 0.16 4.32 5.68 -1.26 -0.78 116.55 124.42 2i03 n ASP 663 Ca -0.04 0.84 -0.14 0.00 -0.50 0.00 0.00 54.79 54.95 2i03 n ASP 663 Cb 0.57 -1.48 -0.08 0.00 -1.14 0.00 0.00 41.12 38.99 2i03 n ASP 663 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2i03 h SER 664 N 0.62 -0.31 -0.74 -1.12 4.64 -0.73 -2.24 113.55 113.67 2i03 h SER 664 Ca -0.50 -0.06 0.15 0.00 -0.47 0.00 0.00 61.79 60.91 2i03 h SER 664 Cb 1.35 0.08 -0.10 0.00 -0.31 0.00 0.00 62.40 63.42 2i03 h SER 664 CO 0.52 -0.14 0.26 0.58 -0.87 0.00 0.00 176.83 177.18 2i03 h VAL 665 N -0.46 0.62 0.01 0.95 2.07 -1.93 0.13 116.25 117.64 2i03 h VAL 665 Ca -0.04 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2i03 h VAL 665 Cb 0.35 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2i03 h VAL 665 CO 0.06 0.07 -0.01 0.22 0.02 0.00 0.00 177.57 177.94 2i03 h TYR 666 N 0.38 -0.02 0.10 1.57 5.03 -1.92 -3.17 116.97 118.95 2i03 h TYR 666 Ca 0.41 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.72 2i03 h TYR 666 Cb 0.65 0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.93 2i03 h TYR 666 CO -0.19 0.76 -0.06 1.15 -1.32 0.00 0.00 178.16 178.50 2i03 h THR 667 N -0.94 0.87 0.00 1.81 2.02 -1.27 -2.90 112.91 112.51 2i03 h THR 667 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 2i03 h THR 667 Cb 0.78 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2i03 h THR 667 CO 0.00 0.00 -0.11 -0.33 0.37 0.00 0.00 175.52 175.45 2i03 h GLU 668 N -0.16 0.00 -0.75 6.66 5.08 -0.90 0.25 114.58 124.76 2i03 h GLU 668 Ca -0.01 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.45 2i03 h GLU 668 Cb 0.13 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 2i03 h GLU 668 CO 0.01 0.11 0.49 -0.09 -1.00 0.00 0.00 179.01 178.53 2i03 h ARG 669 N 0.00 0.63 0.00 2.33 2.43 -1.48 -1.60 114.38 116.69 2i03 h ARG 669 Ca -0.00 -0.04 -0.25 0.00 -0.81 0.00 0.00 59.98 58.88 2i03 h ARG 669 Cb 0.22 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.59 2i03 h ARG 669 CO 0.01 0.42 -1.95 0.66 -1.51 0.00 0.00 179.97 177.60 2i03 n TYR 670 N -4.50 0.00 1.12 2.20 4.01 -0.81 -4.65 117.16 114.54 2i03 n TYR 670 Ca 0.13 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.99 2i03 n TYR 670 Cb 0.34 -0.66 0.19 0.00 -0.31 0.00 0.00 39.34 38.91 2i03 n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2i03 n MET 671 N -2.80 0.87 0.00 -0.72 2.81 0.82 0.10 117.12 118.20 2i03 n MET 671 Ca -0.27 -0.62 0.00 0.00 -1.81 0.00 0.00 57.70 55.00 2i03 n MET 671 Cb 0.87 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.89 2i03 n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2i03 n GLY 672 N 1.39 -0.53 3.85 3.03 0.00 -0.60 -4.67 105.19 107.66 2i03 n GLY 672 Ca 0.10 -1.11 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 2i03 n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i03 s LEU 673 N 0.00 4.44 -1.51 0.99 1.02 -1.26 -4.34 118.68 118.03 2i03 s LEU 673 Ca 0.00 0.78 -0.10 0.00 0.02 0.00 0.00 54.13 54.83 2i03 s LEU 673 Cb 0.00 -2.39 -0.07 0.00 0.02 0.00 0.00 46.19 43.75 2i03 s LEU 673 CO 0.00 0.36 2.77 -0.81 0.02 0.00 0.00 176.35 178.69 2i03 n PRO 674 N 1.89 3.39 -4.30 1.29 -0.04 -1.26 -1.23 135.00 134.74 2i03 n PRO 674 Ca -0.16 -2.13 -0.23 0.00 -0.04 0.00 0.00 63.50 60.94 2i03 n PRO 674 Cb 0.53 -2.80 -0.12 0.00 -0.04 0.00 0.00 33.50 31.08 2i03 n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2i03 s THR 675 N 2.47 1.73 0.59 0.52 -4.23 -1.26 -4.66 115.64 110.80 2i03 s THR 675 Ca 0.64 -1.72 0.36 0.00 -1.18 0.00 0.00 61.69 59.79 2i03 s THR 675 Cb 0.17 -1.68 0.39 0.00 1.34 0.00 0.00 72.50 72.72 2i03 s THR 675 CO -0.06 -0.20 2.28 1.55 -0.54 0.00 0.00 174.62 177.66 2i03 h PRO 676 N 3.68 0.00 0.00 3.99 0.13 -1.96 0.33 132.00 138.17 2i03 h PRO 676 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2i03 h PRO 676 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2i03 h PRO 676 CO 0.45 0.01 0.00 0.93 -0.23 0.00 0.00 178.00 179.16 2i03 h GLU 677 N 0.00 0.00 0.00 0.86 3.07 -1.95 -3.44 114.58 113.11 2i03 h GLU 677 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2i03 h GLU 677 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2i03 h GLU 677 CO 0.00 0.00 0.00 -3.47 -1.40 0.00 0.00 179.01 174.14 2i03 n ASP 678 N -2.80 0.00 -0.83 1.42 -0.08 0.01 -5.02 116.55 109.25 2i03 n ASP 678 Ca 0.04 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.36 2i03 n ASP 678 Cb 0.47 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.99 2i03 n ASP 678 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2i03 n ASN 679 N -0.09 1.03 -0.06 1.67 4.05 -0.36 -4.91 115.26 116.60 2i03 n ASN 679 Ca 0.00 -2.51 -0.08 0.00 0.45 0.00 0.00 54.58 52.44 2i03 n ASN 679 Cb 0.00 -0.33 -0.02 0.00 1.23 0.00 0.00 39.78 40.66 2i03 n ASN 679 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 2i03 h LEU 680 N 0.56 -0.20 -0.69 1.20 5.85 -1.40 -2.44 115.31 118.19 2i03 h LEU 680 Ca -0.09 0.07 0.15 0.00 0.84 0.00 0.00 57.88 58.85 2i03 h LEU 680 Cb 1.46 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 42.51 2i03 h LEU 680 CO 0.04 -0.07 0.05 0.44 -0.34 0.00 0.00 178.44 178.56 2i03 h ASP 681 N 0.02 -0.23 0.89 1.25 5.19 -1.91 0.39 116.42 122.03 2i03 h ASP 681 Ca 0.12 0.17 -0.09 0.00 -0.62 0.00 0.00 57.03 56.60 2i03 h ASP 681 Cb 0.17 0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 2i03 h ASP 681 CO -0.24 -0.12 -0.45 -0.74 -3.12 0.00 0.00 179.24 174.57 2i03 h HIS 682 N 0.15 0.00 -0.74 4.55 2.76 -1.87 -1.60 115.15 118.39 2i03 h HIS 682 Ca 0.38 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.52 2i03 h HIS 682 Cb 0.64 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.56 2i03 h HIS 682 CO -0.36 0.45 0.36 1.88 -1.30 0.00 0.00 177.93 178.96 2i03 h TYR 683 N 0.00 1.05 0.00 5.26 0.05 -0.50 -2.56 116.97 120.27 2i03 h TYR 683 Ca -0.00 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 2i03 h TYR 683 Cb 1.02 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 38.43 2i03 h TYR 683 CO 0.00 0.76 -0.06 0.00 -1.05 0.00 0.00 178.16 177.81 2i03 h ARG 684 N 1.05 0.00 0.00 4.88 2.47 -0.84 -3.31 114.38 118.63 2i03 h ARG 684 Ca 0.26 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.98 2i03 h ARG 684 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 2i03 h ARG 684 CO -0.03 0.06 -0.75 -0.91 0.56 0.00 0.00 179.97 178.89 2i03 h ASN 685 N 0.00 0.00 -0.87 7.04 4.21 -0.94 -3.39 115.58 121.63 2i03 h ASN 685 Ca -0.00 -0.24 -0.61 0.00 1.21 0.00 0.00 56.30 56.66 2i03 h ASN 685 Cb 1.02 0.00 -0.36 0.00 -1.12 0.00 0.00 38.32 37.86 2i03 h ASN 685 CO 0.01 0.12 0.00 -1.54 -1.29 0.00 0.00 177.43 174.73 2i03 n SER 686 N -2.10 6.24 -4.97 5.81 3.41 -1.00 -5.00 113.62 116.00 2i03 n SER 686 Ca 0.03 -3.77 -0.21 0.00 -0.26 0.00 0.00 58.87 54.66 2i03 n SER 686 Cb 0.44 -0.65 -0.00 0.00 -0.26 0.00 0.00 64.21 63.74 2i03 n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2i03 s THR 687 N -4.70 4.40 -0.02 6.66 -4.23 -1.26 -4.74 115.64 111.75 2i03 s THR 687 Ca 0.58 -0.83 -0.15 0.00 -1.18 0.00 0.00 61.69 60.10 2i03 s THR 687 Cb 0.46 -3.56 -0.33 0.00 1.34 0.00 0.00 72.50 70.41 2i03 s THR 687 CO 0.02 -0.27 0.83 0.58 -0.54 0.00 0.00 174.62 175.23 2i03 h VAL 688 N 0.82 1.18 -0.24 2.29 2.07 -0.87 -3.34 116.25 118.16 2i03 h VAL 688 Ca -0.48 -2.58 0.07 0.00 0.82 0.00 0.00 66.70 64.53 2i03 h VAL 688 Cb 1.25 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.95 2i03 h VAL 688 CO 0.56 0.80 0.27 0.00 0.02 0.00 0.00 177.57 179.22 2i03 h MET 689 N 0.00 0.00 0.00 1.57 -0.00 -1.90 0.12 114.93 114.73 2i03 h MET 689 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.43 2i03 h MET 689 Cb 2.02 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.62 2i03 h MET 689 CO 0.20 0.00 0.00 -1.13 -0.00 0.00 0.00 176.91 175.98 2i03 n SER 690 N -3.79 0.47 -1.21 -0.10 3.41 -1.25 -2.53 113.62 108.62 2i03 n SER 690 Ca 0.03 0.57 0.09 0.00 -0.26 0.00 0.00 58.87 59.30 2i03 n SER 690 Cb 0.40 -0.69 0.29 0.00 -0.26 0.00 0.00 64.21 63.95 2i03 n SER 690 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2i03 n ARG 691 N -1.97 3.22 -0.19 4.33 1.74 0.41 -4.70 116.66 119.49 2i03 n ARG 691 Ca 0.05 -2.62 -0.04 0.00 -0.77 0.00 0.00 57.85 54.46 2i03 n ARG 691 Cb 0.32 -1.66 0.02 0.00 -1.02 0.00 0.00 32.46 30.11 2i03 n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2i03 h ALA 692 N 3.30 0.05 -0.95 7.54 0.00 -1.48 -2.13 119.26 125.59 2i03 h ALA 692 Ca 0.00 0.18 0.24 0.00 0.00 0.00 0.00 54.91 55.32 2i03 h ALA 692 Cb 1.17 0.70 -0.13 0.00 0.00 0.00 0.00 17.79 19.54 2i03 h ALA 692 CO 0.13 -0.62 0.50 1.49 0.00 0.00 0.00 179.25 180.74 2i03 h GLU 693 N -0.14 0.47 0.00 0.00 4.57 -1.86 -1.19 114.58 116.43 2i03 h GLU 693 Ca 0.24 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 2i03 h GLU 693 Cb 0.53 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2i03 h GLU 693 CO -0.66 0.31 0.00 -0.91 -1.18 0.00 0.00 179.01 176.58 2i03 h ASN 694 N 0.49 0.00 0.55 1.04 -0.26 -1.65 -2.80 115.58 112.95 2i03 h ASN 694 Ca 0.61 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.35 2i03 h ASN 694 Cb 1.17 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.43 2i03 h ASN 694 CO -0.51 0.00 0.00 0.49 -1.06 0.00 0.00 177.43 176.35 2i03 n PHE 695 N -2.65 0.00 0.27 1.19 3.01 -0.45 -3.04 117.46 115.79 2i03 n PHE 695 Ca -0.01 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.59 2i03 n PHE 695 Cb 0.10 -0.45 0.83 0.00 -0.01 0.00 0.00 39.48 39.96 2i03 n PHE 695 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2i03 h LYS 696 N 0.00 0.00 0.00 -1.08 1.57 -1.69 -2.01 116.57 113.36 2i03 h LYS 696 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2i03 h LYS 696 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2i03 h LYS 696 CO 0.00 0.00 -0.20 1.04 -0.57 0.00 0.00 179.45 179.72 2i03 n GLN 697 N -4.02 0.08 -4.46 3.15 1.13 -1.17 -4.94 117.38 107.15 2i03 n GLN 697 Ca -0.02 0.05 -0.22 0.00 -1.94 0.00 0.00 57.00 54.87 2i03 n GLN 697 Cb 0.14 -1.58 -0.10 0.00 0.11 0.00 0.00 30.24 28.80 2i03 n GLN 697 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 2i03 s VAL 698 N -3.04 1.61 -0.23 5.09 -7.23 -0.76 -4.92 120.40 110.92 2i03 s VAL 698 Ca 0.12 -2.09 -0.09 0.00 -1.81 0.00 0.00 61.98 58.11 2i03 s VAL 698 Cb 0.17 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 2i03 s VAL 698 CO 0.61 -0.19 0.12 -1.61 -0.31 0.00 0.00 175.10 173.72 2i03 s GLU 699 N -3.76 3.97 -0.02 4.82 2.02 -0.77 -4.99 118.70 119.98 2i03 s GLU 699 Ca 0.32 -0.33 0.06 0.00 0.02 0.00 0.00 54.97 55.05 2i03 s GLU 699 Cb 0.06 -3.43 -0.02 0.00 0.10 0.00 0.00 34.13 30.84 2i03 s GLU 699 CO 0.14 0.06 -0.21 -0.47 0.02 0.00 0.00 175.26 174.80 2i03 s TYR 700 N 1.02 1.87 -0.20 1.61 5.04 -1.26 -0.98 117.35 124.44 2i03 s TYR 700 Ca 0.06 -0.35 0.01 0.00 -2.44 0.00 0.00 57.07 54.35 2i03 s TYR 700 Cb -0.14 -1.20 0.04 0.00 0.35 0.00 0.00 41.96 41.01 2i03 s TYR 700 CO 0.04 -0.03 -0.12 -1.17 -1.34 0.00 0.00 175.55 172.93 2i03 s LEU 701 N -0.50 2.43 -0.24 6.97 0.20 -0.40 -0.35 118.68 126.78 2i03 s LEU 701 Ca 0.08 -0.92 -0.08 0.00 0.69 0.00 0.00 54.13 53.90 2i03 s LEU 701 Cb -0.08 -1.32 -0.03 0.00 -0.43 0.00 0.00 46.19 44.32 2i03 s LEU 701 CO -0.01 -0.13 0.08 -0.22 -0.29 0.00 0.00 176.35 175.79 2i03 s LEU 702 N 1.33 3.55 0.03 -0.68 0.20 0.50 -1.14 118.68 122.47 2i03 s LEU 702 Ca -0.01 -0.14 0.07 0.00 0.69 0.00 0.00 54.13 54.73 2i03 s LEU 702 Cb -0.16 -1.95 -0.02 0.00 -0.43 0.00 0.00 46.19 43.63 2i03 s LEU 702 CO -0.08 -0.01 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.15 2i03 s ILE 703 N 1.45 1.55 -0.28 6.68 1.01 -0.26 -0.92 121.20 130.43 2i03 s ILE 703 Ca 0.06 -1.06 -0.24 0.00 0.00 0.00 0.00 60.65 59.41 2i03 s ILE 703 Cb -0.15 -1.34 0.10 0.00 0.01 0.00 0.00 42.46 41.09 2i03 s ILE 703 CO 0.04 0.24 0.87 -2.28 0.00 0.00 0.00 174.94 173.82 2i03 s HIS 704 N -0.70 -0.66 0.07 3.97 2.46 -0.82 -0.55 115.29 119.05 2i03 s HIS 704 Ca 0.07 1.56 -0.27 0.00 0.47 0.00 0.00 55.06 56.88 2i03 s HIS 704 Cb -0.08 0.35 -0.05 0.00 -0.13 0.00 0.00 32.58 32.66 2i03 s HIS 704 CO 0.01 -0.32 0.85 0.20 -2.47 0.00 0.00 174.74 173.00 2i03 s GLY 705 N 0.50 2.87 0.44 1.59 0.00 -1.26 -1.27 107.32 110.19 2i03 s GLY 705 Ca -0.00 0.40 0.21 0.00 0.00 0.00 0.00 44.72 45.33 2i03 s GLY 705 CO -0.05 1.25 1.89 -0.91 0.00 0.00 0.00 173.10 175.28 2i03 h THR 706 N 4.12 0.80 -0.95 0.90 1.35 -1.18 -3.00 112.91 114.95 2i03 h THR 706 Ca -0.43 -1.05 -0.50 0.00 -0.55 0.00 0.00 66.41 63.87 2i03 h THR 706 Cb 1.21 1.64 -0.30 0.00 -1.73 0.00 0.00 68.15 68.98 2i03 h THR 706 CO 0.71 0.25 0.61 0.00 -0.25 0.00 0.00 175.52 176.85 2i03 n ALA 707 N -2.32 5.54 -2.28 6.62 0.00 0.26 -4.67 120.51 123.66 2i03 n ALA 707 Ca -0.01 -2.93 -0.43 0.00 0.00 0.00 0.00 53.44 50.07 2i03 n ALA 707 Cb 0.38 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 2i03 n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2i03 s ASP 708 N -1.40 6.41 0.23 0.00 -1.08 -1.13 -4.21 116.67 115.48 2i03 s ASP 708 Ca 0.56 1.19 0.24 0.00 -0.52 0.00 0.00 52.55 54.02 2i03 s ASP 708 Cb 0.48 -2.54 0.27 0.00 -1.46 0.00 0.00 42.92 39.67 2i03 s ASP 708 CO 0.10 -1.31 1.33 -2.24 0.52 0.00 0.00 175.17 173.57 2i03 h ASP 709 N 10.48 0.00 0.00 -0.34 2.03 -1.92 -3.34 116.42 123.33 2i03 h ASP 709 Ca -0.29 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 2i03 h ASP 709 Cb 1.12 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.62 2i03 h ASP 709 CO 1.04 0.04 0.00 -3.20 -1.03 0.00 0.00 179.24 176.09 2i03 n ASN 710 N -2.54 0.00 -4.32 4.15 2.85 -1.26 -4.73 115.26 109.41 2i03 n ASN 710 Ca 0.02 0.32 -0.42 0.00 -0.11 0.00 0.00 54.58 54.39 2i03 n ASN 710 Cb 0.50 -0.46 -0.09 0.00 1.24 0.00 0.00 39.78 40.97 2i03 n ASN 710 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2i03 s VAL 711 N -0.92 4.73 0.38 3.44 1.01 -1.26 -4.79 120.40 122.98 2i03 s VAL 711 Ca 0.00 -1.27 -0.27 0.00 0.00 0.00 0.00 61.98 60.44 2i03 s VAL 711 Cb 0.00 -3.87 -0.10 0.00 0.00 0.00 0.00 36.38 32.41 2i03 s VAL 711 CO 0.00 -0.57 1.40 -1.00 0.00 0.00 0.00 175.10 174.93 2i03 s HIS 712 N 1.53 2.74 0.37 5.22 3.76 -1.25 -4.65 115.29 123.00 2i03 s HIS 712 Ca 0.04 1.29 0.18 0.00 -0.15 0.00 0.00 55.06 56.42 2i03 s HIS 712 Cb -0.24 -3.85 1.16 0.00 1.11 0.00 0.00 32.58 30.76 2i03 s HIS 712 CO 0.04 -2.51 1.67 0.35 -0.85 0.00 0.00 174.74 173.44 2i03 h PHE 713 N 2.95 0.80 -0.93 1.40 3.57 -1.79 0.19 116.94 123.13 2i03 h PHE 713 Ca -0.50 0.03 0.32 0.00 3.53 0.00 0.00 57.97 61.35 2i03 h PHE 713 Cb 1.24 -0.21 -0.17 0.00 2.79 0.00 0.00 35.95 39.60 2i03 h PHE 713 CO 0.53 -0.14 0.25 0.94 -2.23 0.00 0.00 178.31 177.67 2i03 n GLN 714 N -4.90 -0.07 -0.31 1.11 7.27 -1.26 0.06 117.38 119.28 2i03 n GLN 714 Ca 0.32 1.34 0.02 0.00 0.07 0.00 0.00 57.00 58.76 2i03 n GLN 714 Cb 1.06 -2.26 0.21 0.00 2.41 0.00 0.00 30.24 31.65 2i03 n GLN 714 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 2i03 h GLN 715 N 0.00 1.07 0.11 3.69 4.20 -0.92 -1.26 115.11 122.00 2i03 h GLN 715 Ca 0.67 -0.06 -0.28 0.00 0.06 0.00 0.00 58.65 59.04 2i03 h GLN 715 Cb 1.61 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 29.15 2i03 h GLN 715 CO -0.80 0.71 -1.33 0.77 -0.67 0.00 0.00 178.83 177.50 2i03 h SER 716 N 1.10 0.37 -0.77 1.46 0.02 -0.53 -3.02 113.55 112.18 2i03 h SER 716 Ca 0.38 -0.44 0.13 0.00 -0.84 0.00 0.00 61.79 61.02 2i03 h SER 716 Cb 0.09 -0.12 -0.09 0.00 0.14 0.00 0.00 62.40 62.42 2i03 h SER 716 CO -0.13 1.35 0.36 0.00 -1.14 0.00 0.00 176.83 177.27 2i03 h ALA 717 N 0.59 1.11 0.00 3.77 0.00 -0.73 0.16 119.26 124.16 2i03 h ALA 717 Ca -0.17 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 2i03 h ALA 717 Cb 1.97 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.76 2i03 h ALA 717 CO 0.18 -0.13 -0.60 1.96 0.00 0.00 0.00 179.25 180.66 2i03 h GLN 718 N 0.54 0.00 -0.04 0.00 1.08 -1.30 -1.87 115.11 113.52 2i03 h GLN 718 Ca 0.41 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.60 2i03 h GLN 718 Cb 0.56 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.99 2i03 h GLN 718 CO -0.35 0.60 -0.03 0.82 -0.95 0.00 0.00 178.83 178.92 2i03 h ILE 719 N 0.00 1.36 -0.47 2.54 2.04 -0.78 -2.32 117.51 119.87 2i03 h ILE 719 Ca -0.01 -1.11 -0.03 0.00 1.00 0.00 0.00 64.86 64.71 2i03 h ILE 719 Cb 1.13 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 39.21 2i03 h ILE 719 CO 0.08 0.30 0.15 0.77 0.00 0.00 0.00 178.15 179.45 2i03 h SER 720 N -0.34 0.63 -0.54 1.72 4.64 -0.79 -2.09 113.55 116.78 2i03 h SER 720 Ca 0.01 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.19 2i03 h SER 720 Cb 0.50 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 2i03 h SER 720 CO 0.01 0.60 0.15 0.50 -0.87 0.00 0.00 176.83 177.22 2i03 h LYS 721 N 0.68 0.84 -0.23 4.77 3.64 -1.26 -0.81 116.57 124.20 2i03 h LYS 721 Ca 0.16 -0.19 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 2i03 h LYS 721 Cb 0.20 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2i03 h LYS 721 CO -0.01 0.78 -0.26 0.00 -2.27 0.00 0.00 179.45 177.69 2i03 h ALA 722 N 1.02 1.12 -0.26 5.00 0.00 -1.11 -0.54 119.26 124.50 2i03 h ALA 722 Ca 0.17 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 2i03 h ALA 722 Cb 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2i03 h ALA 722 CO -0.00 0.55 -0.41 -0.07 0.00 0.00 0.00 179.25 179.32 2i03 h LEU 723 N 0.39 0.66 -0.22 0.00 3.38 -1.06 -2.58 115.31 115.87 2i03 h LEU 723 Ca 0.06 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 2i03 h LEU 723 Cb 0.67 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2i03 h LEU 723 CO 0.05 0.99 -0.21 0.58 0.09 0.00 0.00 178.44 179.94 2i03 h VAL 724 N 0.51 1.32 0.00 1.22 2.07 -0.82 -0.84 116.25 119.70 2i03 h VAL 724 Ca 0.04 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.20 2i03 h VAL 724 Cb 0.93 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 2i03 h VAL 724 CO 0.08 0.42 0.00 0.44 0.02 0.00 0.00 177.57 178.53 2i03 h ASP 725 N 0.23 0.00 -0.02 0.57 3.32 -1.01 -1.66 116.42 117.84 2i03 h ASP 725 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2i03 h ASP 725 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 2i03 h ASP 725 CO 0.05 0.00 -0.08 0.55 -1.72 0.00 0.00 179.24 178.04 2i03 n VAL 726 N -2.38 0.00 -2.56 -1.35 3.14 -0.98 -5.00 118.33 109.20 2i03 n VAL 726 Ca -0.00 -0.46 -0.06 0.00 -2.96 0.00 0.00 64.34 60.86 2i03 n VAL 726 Cb 0.12 1.30 0.01 0.00 -1.06 0.00 0.00 33.84 34.21 2i03 n VAL 726 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2i03 n GLY 727 N 0.97 0.41 3.55 7.55 0.00 -0.63 -4.97 105.19 112.07 2i03 n GLY 727 Ca 0.09 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 2i03 n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2i03 s VAL 728 N -2.81 4.57 0.24 1.61 1.01 -0.38 -5.04 120.40 119.60 2i03 s VAL 728 Ca 0.11 -0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.78 2i03 s VAL 728 Cb -0.05 -3.09 -0.09 0.00 0.00 0.00 0.00 36.38 33.16 2i03 s VAL 728 CO 0.13 0.41 0.77 -0.62 0.00 0.00 0.00 175.10 175.78 2i03 s ASP 729 N 0.90 7.11 0.39 3.32 2.15 -1.26 -4.54 116.67 124.74 2i03 s ASP 729 Ca 0.04 1.50 -0.15 0.00 0.43 0.00 0.00 52.55 54.36 2i03 s ASP 729 Cb -0.14 -2.45 0.06 0.00 -0.30 0.00 0.00 42.92 40.09 2i03 s ASP 729 CO 0.03 0.01 0.80 0.72 -0.17 0.00 0.00 175.17 176.56 2i03 s PHE 730 N -1.54 0.15 0.15 -5.34 -0.71 -1.26 -4.75 117.98 104.68 2i03 s PHE 730 Ca 0.44 -0.85 0.09 0.00 -1.04 0.00 0.00 56.93 55.57 2i03 s PHE 730 Cb -0.17 0.85 -0.04 0.00 -1.21 0.00 0.00 43.02 42.45 2i03 s PHE 730 CO 0.21 -1.60 -0.17 -0.65 -1.34 0.00 0.00 175.22 171.68 2i03 s GLN 731 N -2.12 1.81 0.15 1.99 -1.52 0.52 -5.00 119.66 115.49 2i03 s GLN 731 Ca 0.16 -1.26 -0.06 0.00 -1.95 0.00 0.00 55.36 52.25 2i03 s GLN 731 Cb -0.05 -2.08 -0.02 0.00 -0.22 0.00 0.00 33.01 30.64 2i03 s GLN 731 CO 0.12 0.45 0.19 0.00 -0.25 0.00 0.00 175.29 175.80 2i03 s ALA 732 N -1.38 0.35 -0.29 6.09 0.00 -1.26 -0.37 121.76 124.90 2i03 s ALA 732 Ca 0.20 -1.12 -0.13 0.00 0.00 0.00 0.00 51.96 50.91 2i03 s ALA 732 Cb -0.10 0.85 0.12 0.00 0.00 0.00 0.00 23.12 23.99 2i03 s ALA 732 CO 0.11 -0.58 0.73 1.41 0.00 0.00 0.00 175.76 177.43 2i03 s MET 733 N -4.00 0.58 0.19 0.00 0.00 -0.10 -4.90 119.30 111.08 2i03 s MET 733 Ca 0.20 1.23 0.06 0.00 0.00 0.00 0.00 55.69 57.18 2i03 s MET 733 Cb 0.05 0.50 -0.04 0.00 0.00 0.00 0.00 34.83 35.34 2i03 s MET 733 CO 0.00 -0.16 0.11 1.67 0.00 0.00 0.00 175.02 176.64 2i03 s TRP 734 N 2.26 3.04 -0.34 4.11 -2.14 -1.26 -1.95 118.94 122.66 2i03 s TRP 734 Ca -0.07 -0.08 0.02 0.00 2.66 0.00 0.00 56.10 58.63 2i03 s TRP 734 Cb -0.08 -1.44 0.10 0.00 -3.10 0.00 0.00 33.47 28.95 2i03 s TRP 734 CO -0.19 0.53 0.08 0.71 -2.66 0.00 0.00 176.95 175.42 2i03 s TYR 735 N -1.85 2.87 0.23 1.66 2.02 -0.40 -4.92 117.35 116.97 2i03 s TYR 735 Ca 0.30 -2.48 -0.31 0.00 -0.37 0.00 0.00 57.07 54.21 2i03 s TYR 735 Cb -0.09 -2.41 -0.12 0.00 -0.40 0.00 0.00 41.96 38.94 2i03 s TYR 735 CO 0.22 -0.91 1.67 -0.08 -1.57 0.00 0.00 175.55 174.88 2i03 s THR 736 N 1.15 2.09 0.00 -0.71 -1.32 -1.26 -1.41 115.64 114.17 2i03 s THR 736 Ca 0.11 0.06 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 2i03 s THR 736 Cb -0.19 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.76 2i03 s THR 736 CO -0.15 0.01 0.00 0.47 -2.21 0.00 0.00 174.62 172.74 2i03 n ASP 737 N 3.44 -4.57 -4.88 8.08 8.00 -1.26 -4.88 116.55 120.47 2i03 n ASP 737 Ca 0.13 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.30 2i03 n ASP 737 Cb 0.36 -2.33 -0.05 0.00 -0.02 0.00 0.00 41.12 39.08 2i03 n ASP 737 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2i03 s GLU 738 N -1.22 3.69 0.00 -1.24 0.41 -1.01 -4.68 118.70 114.66 2i03 s GLU 738 Ca 0.00 0.05 0.00 0.00 -0.41 0.00 0.00 54.97 54.61 2i03 s GLU 738 Cb 0.00 -2.90 0.00 0.00 -1.78 0.00 0.00 34.13 29.45 2i03 s GLU 738 CO 0.00 0.50 0.00 -0.40 -0.49 0.00 0.00 175.26 174.87 2i03 n ASP 739 N 0.43 0.11 0.06 -0.19 5.68 -1.26 -0.57 116.55 120.81 2i03 n ASP 739 Ca -0.05 -0.17 0.20 0.00 -0.50 0.00 0.00 54.79 54.27 2i03 n ASP 739 Cb 0.52 0.00 0.73 0.00 -1.14 0.00 0.00 41.12 41.23 2i03 n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2i03 h HIS 740 N 0.01 0.00 0.00 2.11 -0.00 -1.91 -2.05 115.15 113.32 2i03 h HIS 740 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.31 2i03 h HIS 740 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 2i03 h HIS 740 CO 0.00 0.00 -0.94 0.78 -0.00 0.00 0.00 177.93 177.77 2i03 h GLY 741 N 0.00 0.00 -6.83 5.26 0.00 -1.99 -3.48 103.07 96.04 2i03 h GLY 741 Ca 0.21 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.97 2i03 h GLY 741 CO -0.00 0.00 -0.97 1.39 0.00 0.00 0.00 176.54 176.96 2i03 n ILE 742 N -2.86 -2.56 0.71 2.60 5.41 -0.77 -4.87 119.36 117.03 2i03 n ILE 742 Ca -0.02 -0.59 0.08 0.00 1.00 0.00 0.00 62.75 63.21 2i03 n ILE 742 Cb 0.66 -2.15 -0.01 0.00 -0.71 0.00 0.00 39.64 37.42 2i03 n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2i03 n ALA 743 N -4.68 3.24 -1.02 -1.39 0.00 -1.26 -3.73 120.51 111.67 2i03 n ALA 743 Ca -0.22 -0.53 -0.34 0.00 0.00 0.00 0.00 53.44 52.35 2i03 n ALA 743 Cb 0.64 -0.56 0.11 0.00 0.00 0.00 0.00 19.45 19.63 2i03 n ALA 743 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2i03 n SER 744 N -0.23 -0.88 -0.10 0.00 3.41 -1.26 -4.67 113.62 109.90 2i03 n SER 744 Ca 0.06 0.49 -0.06 0.00 -0.26 0.00 0.00 58.87 59.10 2i03 n SER 744 Cb 0.33 -1.30 0.01 0.00 -0.26 0.00 0.00 64.21 62.99 2i03 n SER 744 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2i03 h SER 745 N -1.01 -0.02 -0.11 4.04 0.87 -2.00 -1.63 113.55 113.69 2i03 h SER 745 Ca -0.45 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.15 2i03 h SER 745 Cb 1.31 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 63.35 2i03 h SER 745 CO 0.40 0.03 -0.03 0.71 -0.53 0.00 0.00 176.83 177.41 2i03 h THR 746 N 0.17 1.29 -0.57 2.23 1.35 -1.98 -2.66 112.91 112.74 2i03 h THR 746 Ca 0.16 -0.96 -0.04 0.00 -0.55 0.00 0.00 66.41 65.02 2i03 h THR 746 Cb 0.19 1.70 -0.03 0.00 -1.73 0.00 0.00 68.15 68.29 2i03 h THR 746 CO -0.23 0.27 0.17 0.00 -0.25 0.00 0.00 175.52 175.49 2i03 h ALA 747 N 0.69 1.24 0.14 6.62 0.00 -1.88 -1.01 119.26 125.06 2i03 h ALA 747 Ca 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2i03 h ALA 747 Cb 0.44 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2i03 h ALA 747 CO 0.01 0.54 -0.07 1.25 0.00 0.00 0.00 179.25 180.98 2i03 h HIS 748 N 0.83 -0.17 -0.47 0.00 2.76 -1.29 0.74 115.15 117.53 2i03 h HIS 748 Ca 0.19 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.29 2i03 h HIS 748 Cb 0.24 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 2i03 h HIS 748 CO 0.02 -0.04 0.05 1.96 -1.30 0.00 0.00 177.93 178.62 2i03 h GLN 749 N -0.27 0.75 -0.21 5.26 4.20 -1.30 -2.74 115.11 120.80 2i03 h GLN 749 Ca -0.02 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.45 2i03 h GLN 749 Cb 0.21 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 2i03 h GLN 749 CO 0.03 0.73 -0.13 1.25 -0.67 0.00 0.00 178.83 180.04 2i03 h HIS 750 N 0.71 0.53 -0.51 2.96 2.76 -0.92 -2.15 115.15 118.52 2i03 h HIS 750 Ca 0.15 -0.14 -0.04 0.00 -2.20 0.00 0.00 60.37 58.15 2i03 h HIS 750 Cb 0.37 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.19 2i03 h HIS 750 CO 0.02 0.76 0.18 0.97 -1.30 0.00 0.00 177.93 178.56 2i03 h ILE 751 N 0.14 1.22 0.00 6.26 2.10 -0.78 -0.45 117.51 126.00 2i03 h ILE 751 Ca 0.04 -0.72 -0.07 0.00 1.08 0.00 0.00 64.86 65.19 2i03 h ILE 751 Cb 0.63 0.74 -0.01 0.00 -1.09 0.00 0.00 36.82 37.09 2i03 h ILE 751 CO 0.04 0.27 -0.36 1.88 -1.08 0.00 0.00 178.15 178.90 2i03 h TYR 752 N 0.69 0.00 -0.25 2.19 0.05 -1.52 -0.85 116.97 117.28 2i03 h TYR 752 Ca 0.17 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.82 2i03 h TYR 752 Cb 0.24 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.98 2i03 h TYR 752 CO 0.01 0.36 -0.35 1.15 -1.05 0.00 0.00 178.16 178.27 2i03 h THR 753 N 0.00 1.31 -0.36 -2.88 2.02 -1.01 -1.78 112.91 110.21 2i03 h THR 753 Ca -0.00 -1.55 -0.03 0.00 0.77 0.00 0.00 66.41 65.60 2i03 h THR 753 Cb 0.80 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.91 2i03 h THR 753 CO 0.05 0.49 0.12 -0.74 0.37 0.00 0.00 175.52 175.81 2i03 h HIS 754 N 0.39 0.56 -0.46 3.16 -0.00 -0.79 -2.48 115.15 115.53 2i03 h HIS 754 Ca 0.03 -0.05 -0.06 0.00 -0.00 0.00 0.00 60.37 60.28 2i03 h HIS 754 Cb 0.94 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 28.16 2i03 h HIS 754 CO 0.08 0.54 0.03 0.52 -0.00 0.00 0.00 177.93 179.10 2i03 h MET 755 N 0.42 0.73 -0.19 5.26 2.07 -1.17 -2.14 114.93 119.92 2i03 h MET 755 Ca 0.12 -0.18 -0.01 0.00 -2.07 0.00 0.00 59.70 57.56 2i03 h MET 755 Cb 0.23 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 29.86 2i03 h MET 755 CO -0.01 0.72 0.10 0.77 1.07 0.00 0.00 176.91 179.57 2i03 h SER 756 N 0.69 0.24 -0.22 1.22 0.02 -1.09 -0.46 113.55 113.95 2i03 h SER 756 Ca 0.14 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 2i03 h SER 756 Cb 0.38 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 2i03 h SER 756 CO 0.01 0.28 -0.05 0.45 -1.14 0.00 0.00 176.83 176.38 2i03 h HIS 757 N 0.19 -0.11 -0.63 3.45 3.86 -1.25 0.18 115.15 120.83 2i03 h HIS 757 Ca 0.07 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.35 2i03 h HIS 757 Cb 0.10 0.09 -0.05 0.00 1.06 0.00 0.00 27.41 28.60 2i03 h HIS 757 CO -0.03 -0.09 0.35 0.35 0.86 0.00 0.00 177.93 179.36 2i03 h PHE 758 N 0.00 0.64 -0.30 2.45 3.57 -1.04 0.79 116.94 123.06 2i03 h PHE 758 Ca 0.11 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 2i03 h PHE 758 Cb 0.16 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 2i03 h PHE 758 CO -0.23 0.31 -0.18 0.82 -2.23 0.00 0.00 178.31 176.80 2i03 h ILE 759 N 0.65 1.30 -0.48 1.41 1.08 -0.66 -1.26 117.51 119.55 2i03 h ILE 759 Ca 0.28 -1.30 0.02 0.00 -0.39 0.00 0.00 64.86 63.47 2i03 h ILE 759 Cb 0.16 1.49 -0.03 0.00 -3.07 0.00 0.00 36.82 35.38 2i03 h ILE 759 CO -0.17 0.42 0.30 0.11 -0.69 0.00 0.00 178.15 178.11 2i03 h LYS 760 N 0.40 0.58 -0.66 2.37 1.79 -0.15 -0.68 116.57 120.22 2i03 h LYS 760 Ca 0.06 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.42 2i03 h LYS 760 Cb 0.72 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.21 2i03 h LYS 760 CO 0.05 0.38 0.09 0.37 -1.08 0.00 0.00 179.45 179.27 2i03 h GLN 761 N 0.59 1.10 0.00 3.15 -0.00 -0.82 0.31 115.11 119.44 2i03 h GLN 761 Ca 0.19 -0.30 -0.07 0.00 -0.00 0.00 0.00 58.65 58.47 2i03 h GLN 761 Cb -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.34 2i03 h GLN 761 CO -0.08 1.01 -0.34 0.00 0.00 0.00 0.00 178.83 179.43 2i03 n PHE 763 N -3.88 0.00 0.95 0.00 3.72 -0.30 -5.01 117.46 112.94 2i03 n PHE 763 Ca -0.01 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.50 2i03 n PHE 763 Cb 0.41 -0.58 0.10 0.00 -0.94 0.00 0.00 39.48 38.47 2i03 n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14