#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gju n LEU 2 N 0.00 0.00 -4.80 0.99 4.77 -0.04 -4.95 117.00 112.97 3gju n LEU 2 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 3gju n LEU 2 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 3gju n LEU 2 CO 0.00 0.00 0.71 0.54 -1.33 0.00 0.00 177.39 177.31 3gju s ASN 3 N 0.00 6.61 -0.16 -1.43 4.22 -1.26 -5.01 114.94 117.92 3gju s ASN 3 Ca 0.00 1.91 -0.12 0.00 -2.14 0.00 0.00 52.86 52.51 3gju s ASN 3 Cb 0.00 -2.56 -0.05 0.00 1.28 0.00 0.00 41.25 39.91 3gju s ASN 3 CO 0.00 -0.59 -0.17 0.00 -2.04 0.00 0.00 177.10 174.30 3gju n GLN 4 N -0.59 0.48 -2.49 3.55 6.02 -1.26 -4.95 117.38 118.13 3gju n GLN 4 Ca 0.07 0.48 -0.39 0.00 -0.01 0.00 0.00 57.00 57.15 3gju n GLN 4 Cb 0.52 -1.65 -0.04 0.00 1.02 0.00 0.00 30.24 30.08 3gju n GLN 4 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3gju s SER 5 N -5.93 7.05 0.00 1.08 0.15 -1.26 -4.95 113.70 109.84 3gju s SER 5 Ca -0.19 2.18 0.23 0.00 0.70 0.00 0.00 55.95 58.87 3gju s SER 5 Cb 0.03 -2.61 0.91 0.00 -1.71 0.00 0.00 66.02 62.64 3gju s SER 5 CO 0.30 -0.29 1.64 -3.20 1.20 0.00 0.00 173.24 172.89 3gju n ASN 6 N 0.67 1.43 -0.69 5.45 5.15 -1.26 -4.29 115.26 121.72 3gju n ASN 6 Ca 0.01 -1.60 0.06 0.00 -0.60 0.00 0.00 54.58 52.45 3gju n ASN 6 Cb 0.47 -0.06 0.17 0.00 -0.53 0.00 0.00 39.78 39.82 3gju n ASN 6 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3gju n GLU 7 N 0.14 2.88 -0.11 1.20 1.02 -1.26 -4.76 120.64 119.75 3gju n GLU 7 Ca 0.17 -2.12 -0.03 0.00 -0.02 0.00 0.00 57.16 55.16 3gju n GLU 7 Cb 0.31 -1.31 0.19 0.00 -0.02 0.00 0.00 31.44 30.61 3gju n GLU 7 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3gju h LEU 8 N 2.14 0.74 -0.28 -4.62 3.38 -2.00 -1.25 115.31 113.43 3gju h LEU 8 Ca 0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3gju h LEU 8 Cb 0.78 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3gju h LEU 8 CO 0.01 0.75 0.09 -1.13 0.09 0.00 0.00 178.44 178.25 3gju h ASN 9 N 0.76 0.41 -0.05 -0.43 -1.24 -1.94 -0.92 115.58 112.17 3gju h ASN 9 Ca 0.16 -0.20 -0.00 0.00 0.71 0.00 0.00 56.30 56.97 3gju h ASN 9 Cb 0.33 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.27 3gju h ASN 9 CO 0.00 0.51 0.03 0.00 -1.29 0.00 0.00 177.43 176.68 3gju h ALA 10 N 0.92 0.07 -0.78 1.57 0.00 -1.85 -0.99 119.26 118.20 3gju h ALA 10 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3gju h ALA 10 Cb 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3gju h ALA 10 CO -0.00 -0.39 0.42 -1.49 0.00 0.00 0.00 179.25 177.79 3gju h TRP 11 N 0.00 1.08 0.48 0.00 6.55 -1.16 0.16 115.95 123.05 3gju h TRP 11 Ca 0.02 -0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.81 3gju h TRP 11 Cb 0.08 -0.34 0.00 0.00 -0.86 0.00 0.00 29.16 28.04 3gju h TRP 11 CO -0.05 0.76 -0.23 0.22 -1.05 0.00 0.00 178.44 178.10 3gju h ASP 12 N 1.09 -0.54 0.05 -3.49 3.58 -0.97 -0.86 116.42 115.28 3gju h ASP 12 Ca 0.27 0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.59 3gju h ASP 12 Cb 0.05 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 3gju h ASP 12 CO -0.04 -0.38 -0.52 0.03 -2.88 0.00 0.00 179.24 175.45 3gju h ARG 13 N -0.65 0.51 0.00 0.28 3.08 -1.02 -1.74 114.38 114.85 3gju h ARG 13 Ca -0.07 -0.31 -0.09 0.00 0.07 0.00 0.00 59.98 59.59 3gju h ARG 13 Cb 0.49 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3gju h ARG 13 CO 0.11 0.91 -0.43 -0.44 -1.07 0.00 0.00 179.97 179.05 3gju h ASP 14 N 0.40 0.00 0.00 7.04 3.32 -0.66 -3.40 116.42 123.12 3gju h ASP 14 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3gju h ASP 14 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.59 3gju h ASP 14 CO 0.10 0.43 -0.16 1.41 -1.72 0.00 0.00 179.24 179.29 3gju n HIS 15 N -3.21 0.00 -3.49 4.55 8.25 -0.33 -5.04 115.22 115.95 3gju n HIS 15 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.07 3gju n HIS 15 Cb 0.70 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.71 3gju n HIS 15 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3gju s PHE 16 N -0.50 3.23 -0.65 4.41 2.19 -0.66 -5.01 117.98 120.99 3gju s PHE 16 Ca 0.00 -0.38 -0.20 0.00 0.33 0.00 0.00 56.93 56.68 3gju s PHE 16 Cb 0.00 -2.54 0.10 0.00 -1.31 0.00 0.00 43.02 39.27 3gju s PHE 16 CO 0.00 -0.47 0.83 0.12 1.83 0.00 0.00 175.22 177.53 3gju s PHE 17 N 1.71 2.90 0.38 10.12 2.19 -1.26 -4.81 117.98 129.21 3gju s PHE 17 Ca 0.06 -0.86 -0.25 0.00 0.33 0.00 0.00 56.93 56.20 3gju s PHE 17 Cb -0.18 -4.14 -0.09 0.00 -1.31 0.00 0.00 43.02 37.30 3gju s PHE 17 CO 0.10 -1.44 1.07 -1.01 1.83 0.00 0.00 175.22 175.78 3gju s HIS 18 N 3.15 3.30 0.64 10.12 3.76 -1.26 -5.05 115.29 129.96 3gju s HIS 18 Ca 0.17 1.64 -0.18 0.00 -0.15 0.00 0.00 55.06 56.54 3gju s HIS 18 Cb -0.20 -3.19 -0.01 0.00 1.11 0.00 0.00 32.58 30.29 3gju s HIS 18 CO 0.06 -0.70 1.31 -1.25 -0.85 0.00 0.00 174.74 173.31 3gju s PRO 19 N -2.27 2.59 -1.43 8.40 0.04 -1.26 -4.04 135.00 137.03 3gju s PRO 19 Ca 0.55 2.09 -0.00 0.00 0.04 0.00 0.00 61.00 63.69 3gju s PRO 19 Cb -0.25 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.41 3gju s PRO 19 CO 0.31 -1.58 0.35 0.43 0.04 0.00 0.00 177.00 176.56 3gju n SER 20 N -1.83 -0.10 -4.00 6.66 7.64 -1.26 -4.94 113.62 115.78 3gju n SER 20 Ca 0.15 -1.05 -0.09 0.00 1.01 0.00 0.00 58.87 58.89 3gju n SER 20 Cb 0.48 -2.82 -0.11 0.00 -1.01 0.00 0.00 64.21 60.75 3gju n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3gju s THR 21 N -4.03 0.14 0.53 0.44 2.01 -1.26 -5.25 115.64 108.22 3gju s THR 21 Ca 0.00 -1.05 -0.09 0.00 0.31 0.00 0.00 61.69 60.86 3gju s THR 21 Cb -0.00 -0.46 0.12 0.00 0.01 0.00 0.00 72.50 72.17 3gju s THR 21 CO 0.91 -0.57 0.66 1.57 -0.69 0.00 0.00 174.62 176.49 3gju n HIS 22 N 1.37 -3.89 0.00 4.92 -0.00 -1.26 -4.98 115.22 111.37 3gju n HIS 22 Ca -0.22 -0.58 0.00 0.00 -0.00 0.00 0.00 57.72 56.91 3gju n HIS 22 Cb 0.56 -0.54 0.00 0.00 -0.00 0.00 0.00 29.99 30.01 3gju n HIS 22 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3gju n GLY 24 N 0.19 0.00 0.35 1.57 0.00 -1.26 -1.84 105.19 104.21 3gju n GLY 24 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 3gju n GLY 24 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3gju h THR 25 N 0.00 1.25 0.06 2.61 1.35 -1.98 -1.06 112.91 115.15 3gju h THR 25 Ca 0.00 -0.69 -0.00 0.00 -0.55 0.00 0.00 66.41 65.17 3gju h THR 25 Cb 0.00 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 66.61 3gju h THR 25 CO 0.00 0.30 -0.03 -0.74 -0.25 0.00 0.00 175.52 174.80 3gju h HIS 26 N 1.16 -0.08 -0.96 4.73 6.17 -1.66 -0.40 115.15 124.11 3gju h HIS 26 Ca 0.28 -0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.38 3gju h HIS 26 Cb 0.10 0.03 -0.05 0.00 2.52 0.00 0.00 27.41 30.00 3gju h HIS 26 CO 0.01 0.13 0.64 0.00 0.71 0.00 0.00 177.93 179.42 3gju h ALA 27 N 0.65 1.33 -0.01 5.26 0.00 -1.71 -2.90 119.26 121.88 3gju h ALA 27 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3gju h ALA 27 Cb 0.24 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3gju h ALA 27 CO 0.01 0.61 -0.16 0.54 0.00 0.00 0.00 179.25 180.25 3gju n ARG 28 N -4.40 0.87 -1.02 0.00 1.74 -0.42 -4.75 116.66 108.69 3gju n ARG 28 Ca 0.12 -0.43 0.00 0.00 -0.77 0.00 0.00 57.85 56.77 3gju n ARG 28 Cb 0.04 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 3gju n ARG 28 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gju n GLY 29 N 1.29 0.46 0.11 -0.13 0.00 -0.96 -4.97 105.19 101.00 3gju n GLY 29 Ca 0.14 -0.95 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 3gju n GLY 29 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gju n GLU 30 N -2.61 0.69 -3.71 1.61 1.02 -0.20 -4.89 120.64 112.56 3gju n GLU 30 Ca 0.00 0.24 -0.34 0.00 -0.02 0.00 0.00 57.16 57.05 3gju n GLU 30 Cb 0.07 -1.71 -0.05 0.00 -0.02 0.00 0.00 31.44 29.72 3gju n GLU 30 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3gju s SER 31 N -6.49 6.52 0.80 1.62 1.04 -1.05 -5.02 113.70 111.13 3gju s SER 31 Ca -0.15 0.60 -0.11 0.00 0.48 0.00 0.00 55.95 56.77 3gju s SER 31 Cb 0.07 -2.10 0.07 0.00 0.10 0.00 0.00 66.02 64.16 3gju s SER 31 CO 0.78 0.19 1.09 -2.16 0.98 0.00 0.00 173.24 174.12 3gju s PRO 32 N -2.02 2.05 0.19 4.02 0.04 -1.26 -4.77 135.00 133.25 3gju s PRO 32 Ca 0.32 0.91 0.07 0.00 0.04 0.00 0.00 61.00 62.34 3gju s PRO 32 Cb -0.13 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 3gju s PRO 32 CO 0.19 -1.71 -0.14 0.95 0.04 0.00 0.00 177.00 176.33 3gju s THR 33 N -2.99 1.60 -0.04 1.26 -4.23 -1.26 -5.03 115.64 104.94 3gju s THR 33 Ca 0.61 -2.15 -0.02 0.00 -1.18 0.00 0.00 61.69 58.95 3gju s THR 33 Cb -0.16 -1.98 0.03 0.00 1.34 0.00 0.00 72.50 71.73 3gju s THR 33 CO 0.56 -0.61 0.05 -0.60 -0.54 0.00 0.00 174.62 173.47 3gju s ARG 34 N -3.60 0.03 0.57 3.99 3.52 -1.26 -5.18 118.95 117.02 3gju s ARG 34 Ca 0.21 0.33 0.08 0.00 -0.13 0.00 0.00 55.73 56.22 3gju s ARG 34 Cb -0.00 -0.57 0.08 0.00 -1.56 0.00 0.00 34.95 32.90 3gju s ARG 34 CO 0.05 -0.32 0.79 0.42 -0.81 0.00 0.00 175.30 175.44 3gju s ILE 35 N 2.09 2.24 0.00 4.11 1.01 -1.26 -5.06 121.20 124.33 3gju s ILE 35 Ca 0.04 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.74 3gju s ILE 35 Cb -0.12 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.06 3gju s ILE 35 CO -0.03 0.00 0.00 0.00 0.00 0.00 0.00 174.94 174.91 3gju n ALA 37 N -2.27 0.00 -3.83 9.38 0.00 -0.00 -0.61 120.51 123.18 3gju n ALA 37 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.54 3gju n ALA 37 Cb 0.61 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.07 3gju n ALA 37 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3gju s GLY 38 N -0.60 0.05 -0.25 0.00 0.00 -0.93 -5.01 107.32 100.58 3gju s GLY 38 Ca 0.00 -0.27 -0.34 0.00 0.00 0.00 0.00 44.72 44.10 3gju s GLY 38 CO 0.00 1.15 1.30 -0.32 0.00 0.00 0.00 173.10 175.23 3gju s GLY 39 N -3.20 -0.14 -0.20 0.20 0.00 -1.26 -1.10 107.32 101.62 3gju s GLY 39 Ca 0.18 2.11 -0.11 0.00 0.00 0.00 0.00 44.72 46.89 3gju s GLY 39 CO 0.06 0.77 0.48 1.85 0.00 0.00 0.00 173.10 176.26 3gju s GLU 40 N -1.80 0.47 7.19 2.90 -6.30 0.17 -3.65 118.70 117.69 3gju s GLU 40 Ca 0.09 0.92 0.00 0.00 -2.50 0.00 0.00 54.97 53.48 3gju s GLU 40 Cb -0.01 0.04 0.00 0.00 0.00 0.00 0.00 34.13 34.17 3gju s GLU 40 CO -0.05 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.48 3gju n GLY 41 N 4.35 2.58 0.93 -1.50 0.00 0.01 -1.38 105.19 110.18 3gju n GLY 41 Ca -0.22 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 45.83 3gju n GLY 41 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gju n VAL 42 N 0.00 0.41 -4.05 1.61 0.24 -1.26 -0.70 118.33 114.58 3gju n VAL 42 Ca 0.00 -0.70 -0.35 0.00 -2.04 0.00 0.00 64.34 61.25 3gju n VAL 42 Cb 0.00 1.04 -0.09 0.00 -1.47 0.00 0.00 33.84 33.32 3gju n VAL 42 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3gju s THR 43 N -1.38 4.83 0.23 3.34 2.01 -0.48 -0.23 115.64 123.97 3gju s THR 43 Ca 0.30 -0.03 0.11 0.00 0.31 0.00 0.00 61.69 62.39 3gju s THR 43 Cb 0.18 -3.14 -0.05 0.00 0.01 0.00 0.00 72.50 69.51 3gju s THR 43 CO 0.26 0.51 -0.21 0.68 -0.69 0.00 0.00 174.62 175.18 3gju s VAL 44 N -0.09 2.30 0.04 3.82 -7.23 -0.32 -0.65 120.40 118.26 3gju s VAL 44 Ca 0.07 -2.21 -0.08 0.00 -1.81 0.00 0.00 61.98 57.96 3gju s VAL 44 Cb -0.12 -2.17 -0.00 0.00 0.56 0.00 0.00 36.38 34.65 3gju s VAL 44 CO 0.01 -0.31 0.15 -1.66 -0.31 0.00 0.00 175.10 172.98 3gju s TRP 45 N -2.21 0.13 0.64 2.82 -2.14 -0.26 -1.04 118.94 116.89 3gju s TRP 45 Ca 0.25 -0.40 0.04 0.00 2.66 0.00 0.00 56.10 58.64 3gju s TRP 45 Cb -0.06 -0.09 0.12 0.00 -3.10 0.00 0.00 33.47 30.35 3gju s TRP 45 CO 0.12 -0.41 0.88 -0.40 -2.66 0.00 0.00 176.95 174.48 3gju n ASP 46 N 0.67 1.65 0.00 -2.66 5.68 -0.79 -0.82 116.55 120.27 3gju n ASP 46 Ca -0.19 -2.28 0.13 0.00 -0.50 0.00 0.00 54.79 51.95 3gju n ASP 46 Cb 0.59 -0.53 0.66 0.00 -1.14 0.00 0.00 41.12 40.70 3gju n ASP 46 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3gju n ASN 47 N -2.65 0.00 0.01 -1.12 6.94 0.22 -0.86 115.26 117.79 3gju n ASN 47 Ca 0.16 -0.18 0.13 0.00 -0.02 0.00 0.00 54.58 54.66 3gju n ASN 47 Cb 0.58 -0.24 0.37 0.00 -2.36 0.00 0.00 39.78 38.12 3gju n ASN 47 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3gju n ASN 48 N -1.24 0.38 0.00 0.53 3.02 -1.26 -0.86 115.26 115.82 3gju n ASN 48 Ca 0.13 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 3gju n ASN 48 Cb 0.19 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 3gju n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gju n GLY 49 N 1.47 0.72 3.69 7.41 0.00 -0.04 -4.86 105.19 113.58 3gju n GLY 49 Ca 0.06 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3gju n GLY 49 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gju s ARG 50 N -0.46 4.38 0.12 1.61 3.52 -1.26 -4.79 118.95 122.07 3gju s ARG 50 Ca 0.00 1.67 -0.06 0.00 -0.13 0.00 0.00 55.73 57.21 3gju s ARG 50 Cb 0.00 -3.51 -0.06 0.00 -1.56 0.00 0.00 34.95 29.82 3gju s ARG 50 CO 0.00 -0.39 0.38 0.15 -0.81 0.00 0.00 175.30 174.63 3gju s LYS 51 N 1.95 3.66 -0.02 5.12 1.02 -1.26 -1.89 119.74 128.31 3gju s LYS 51 Ca 0.56 -0.01 -0.03 0.00 0.02 0.00 0.00 55.97 56.51 3gju s LYS 51 Cb -0.25 -2.89 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 3gju s LYS 51 CO 0.23 0.50 0.07 -1.12 -0.92 0.00 0.00 175.35 174.12 3gju s SER 52 N -2.21 -0.01 -0.14 2.83 0.01 -0.21 -4.85 113.70 109.13 3gju s SER 52 Ca 0.38 -0.02 -0.29 0.00 1.31 0.00 0.00 55.95 57.33 3gju s SER 52 Cb -0.13 0.17 -0.02 0.00 0.21 0.00 0.00 66.02 66.25 3gju s SER 52 CO 0.22 -0.14 1.22 -0.63 0.41 0.00 0.00 173.24 174.31 3gju s ILE 53 N -0.50 4.32 -0.86 1.44 1.01 0.20 -1.18 121.20 125.64 3gju s ILE 53 Ca -0.06 1.61 -0.18 0.00 0.00 0.00 0.00 60.65 62.02 3gju s ILE 53 Cb -0.04 -4.04 0.14 0.00 0.01 0.00 0.00 42.46 38.53 3gju s ILE 53 CO 0.00 -0.09 1.02 -0.62 0.00 0.00 0.00 174.94 175.24 3gju s ASP 54 N 1.73 6.57 -0.02 3.58 2.15 0.68 -0.46 116.67 130.91 3gju s ASP 54 Ca 0.54 -2.01 0.05 0.00 0.43 0.00 0.00 52.55 51.56 3gju s ASP 54 Cb -0.22 -2.36 0.16 0.00 -0.30 0.00 0.00 42.92 40.20 3gju s ASP 54 CO 0.16 -1.02 1.03 0.00 -0.17 0.00 0.00 175.17 175.17 3gju n ALA 55 N 6.20 2.58 0.04 3.66 0.00 -0.26 -3.01 120.51 129.73 3gju n ALA 55 Ca 0.17 -0.35 0.01 0.00 0.00 0.00 0.00 53.44 53.27 3gju n ALA 55 Cb 0.48 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.94 3gju n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gju n PHE 56 N 0.05 0.03 -3.98 0.00 7.35 -1.15 -1.00 117.46 118.76 3gju n PHE 56 Ca 0.06 -0.18 -0.27 0.00 -0.76 0.00 0.00 57.45 56.29 3gju n PHE 56 Cb 0.24 -0.02 -0.02 0.00 0.35 0.00 0.00 39.48 40.03 3gju n PHE 56 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3gju n ALA 57 N -0.04 -2.08 -0.08 3.13 0.00 -1.02 -1.28 120.51 119.14 3gju n ALA 57 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3gju n ALA 57 Cb 0.14 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 17.93 3gju n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gju n GLY 58 N -2.05 1.89 2.63 0.00 0.00 -1.26 -0.42 105.19 105.98 3gju n GLY 58 Ca -0.29 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 3gju n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gju n LEU 59 N 0.00 1.26 -3.44 0.99 4.77 -1.24 -4.88 117.00 114.46 3gju n LEU 59 Ca 0.00 -4.79 -0.25 0.00 -0.03 0.00 0.00 56.01 50.94 3gju n LEU 59 Cb 0.00 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.01 3gju n LEU 59 CO 0.00 1.82 0.00 -1.22 -1.33 0.00 0.00 177.39 176.66 3gju n TYR 60 N 2.36 -1.93 0.00 -1.77 4.02 -0.40 -4.81 117.16 114.62 3gju n TYR 60 Ca 0.25 0.58 0.00 0.00 -0.01 0.00 0.00 57.90 58.72 3gju n TYR 60 Cb 0.42 -3.47 0.00 0.00 -0.02 0.00 0.00 39.34 36.27 3gju n TYR 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3gju n VAL 62 N -0.30 4.01 0.03 0.00 0.31 0.44 -3.33 118.33 119.49 3gju n VAL 62 Ca 0.00 -3.76 -0.13 0.00 -0.01 0.00 0.00 64.34 60.44 3gju n VAL 62 Cb 0.01 -2.46 -0.02 0.00 -0.91 0.00 0.00 33.84 30.47 3gju n VAL 62 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3gju h ASN 63 N 5.77 0.64 0.37 4.52 4.21 -1.86 -2.21 115.58 127.03 3gju h ASN 63 Ca 0.50 -0.44 0.00 0.00 1.21 0.00 0.00 56.30 57.57 3gju h ASN 63 Cb 0.61 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 3gju h ASN 63 CO 1.74 1.21 0.00 1.33 -1.29 0.00 0.00 177.43 180.41 3gju n VAL 64 N -3.85 0.06 0.00 2.81 0.24 -1.26 -0.11 118.33 116.22 3gju n VAL 64 Ca -0.06 0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 3gju n VAL 64 Cb 0.74 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 3gju n VAL 64 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gju n GLY 65 N 1.01 -0.35 3.87 7.63 0.00 -0.83 -4.72 105.19 111.81 3gju n GLY 65 Ca 0.16 -1.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 3gju n GLY 65 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gju s TYR 66 N -1.41 3.44 -0.81 1.61 1.51 0.13 -4.48 117.35 117.33 3gju s TYR 66 Ca 0.00 1.02 -0.00 0.00 -1.01 0.00 0.00 57.07 57.08 3gju s TYR 66 Cb 0.00 -2.40 0.00 0.00 -0.11 0.00 0.00 41.96 39.45 3gju s TYR 66 CO 0.00 0.03 0.05 0.41 -1.11 0.00 0.00 175.55 174.93 3gju n GLY 67 N -0.83 -0.00 3.52 0.71 0.00 -1.24 -0.81 105.19 106.53 3gju n GLY 67 Ca 0.02 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 3gju n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gju s ARG 68 N -4.58 3.26 0.54 1.61 1.81 -1.26 -4.89 118.95 115.45 3gju s ARG 68 Ca 0.02 -0.35 0.33 0.00 -1.72 0.00 0.00 55.73 54.01 3gju s ARG 68 Cb -0.01 -4.13 1.33 0.00 -0.45 0.00 0.00 34.95 31.69 3gju s ARG 68 CO 0.03 -1.78 1.97 1.96 -0.68 0.00 0.00 175.30 176.80 3gju h GLN 69 N 9.61 0.00 -0.65 3.54 1.08 -1.99 -2.22 115.11 124.48 3gju h GLN 69 Ca -0.27 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.02 3gju h GLN 69 Cb 1.06 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.42 3gju h GLN 69 CO 1.18 0.02 0.28 -0.22 -0.95 0.00 0.00 178.83 179.14 3gju h LYS 70 N 0.00 0.47 0.01 1.46 3.64 -1.99 0.23 116.57 120.39 3gju h LYS 70 Ca -0.00 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.19 3gju h LYS 70 Cb 0.53 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3gju h LYS 70 CO 0.00 0.31 -0.65 0.82 -2.27 0.00 0.00 179.45 177.67 3gju h ILE 71 N 0.49 1.42 -0.83 2.00 2.04 -1.74 -2.34 117.51 118.54 3gju h ILE 71 Ca 0.33 -2.12 0.07 0.00 1.00 0.00 0.00 64.86 64.14 3gju h ILE 71 Cb 0.38 2.61 -0.06 0.00 -0.74 0.00 0.00 36.82 39.01 3gju h ILE 71 CO -0.29 0.62 0.51 0.00 0.00 0.00 0.00 178.15 178.98 3gju h ALA 72 N 0.31 1.15 -0.44 1.87 0.00 -1.33 -1.58 119.26 119.24 3gju h ALA 72 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3gju h ALA 72 Cb 1.36 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3gju h ALA 72 CO 0.13 0.22 -0.03 -0.44 0.00 0.00 0.00 179.25 179.13 3gju h ASP 73 N 0.91 0.71 -0.59 0.00 3.32 -0.56 -0.92 116.42 119.28 3gju h ASP 73 Ca 0.37 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 3gju h ASP 73 Cb 0.21 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3gju h ASP 73 CO -0.19 0.80 0.11 0.00 -1.72 0.00 0.00 179.24 178.24 3gju h ALA 74 N 1.28 0.79 -0.20 3.45 0.00 -0.83 0.03 119.26 123.78 3gju h ALA 74 Ca 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3gju h ALA 74 Cb 0.47 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3gju h ALA 74 CO 0.02 0.52 0.10 0.82 0.00 0.00 0.00 179.25 180.72 3gju h ILE 75 N 0.88 1.12 -0.44 0.00 2.04 -1.16 -2.52 117.51 117.42 3gju h ILE 75 Ca 0.18 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 3gju h ILE 75 Cb 0.40 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3gju h ILE 75 CO 0.01 0.11 0.27 0.00 0.00 0.00 0.00 178.15 178.54 3gju h ALA 76 N 0.98 0.57 -0.26 1.87 0.00 -0.91 0.75 119.26 122.26 3gju h ALA 76 Ca 0.07 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3gju h ALA 76 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3gju h ALA 76 CO -0.01 0.05 0.16 1.15 0.00 0.00 0.00 179.25 180.60 3gju h THR 77 N 0.59 1.04 -0.42 0.00 2.02 -0.97 -1.14 112.91 114.03 3gju h THR 77 Ca 0.16 -0.11 -0.07 0.00 0.77 0.00 0.00 66.41 67.16 3gju h THR 77 Cb -0.02 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 3gju h THR 77 CO -0.03 0.06 -0.01 -0.61 0.37 0.00 0.00 175.52 175.30 3gju h GLN 78 N 0.33 0.75 -0.91 6.66 5.75 -1.31 -1.67 115.11 124.71 3gju h GLN 78 Ca 0.10 -0.25 0.07 0.00 -0.15 0.00 0.00 58.65 58.43 3gju h GLN 78 Cb -0.01 -0.06 -0.06 0.00 1.07 0.00 0.00 27.48 28.41 3gju h GLN 78 CO -0.04 0.84 0.59 0.00 -2.65 0.00 0.00 178.83 177.57 3gju h ALA 79 N 0.89 1.52 -0.19 3.38 0.00 -0.64 -0.29 119.26 123.92 3gju h ALA 79 Ca 0.12 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3gju h ALA 79 Cb 0.51 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3gju h ALA 79 CO 0.02 0.33 -0.21 0.87 0.00 0.00 0.00 179.25 180.26 3gju h LYS 80 N 1.02 0.49 0.03 0.00 6.56 -1.06 -3.26 116.57 120.34 3gju h LYS 80 Ca 0.40 -0.26 -0.00 0.00 -1.06 0.00 0.00 60.65 59.73 3gju h LYS 80 Cb 0.24 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 3gju h LYS 80 CO -0.16 0.84 -0.01 -0.91 -2.06 0.00 0.00 179.45 177.15 3gju h ASN 81 N 0.15 -0.03 -0.87 0.86 2.35 -0.97 -3.45 115.58 113.63 3gju h ASN 81 Ca 0.03 -0.69 0.04 0.00 -0.55 0.00 0.00 56.30 55.13 3gju h ASN 81 Cb 0.76 0.01 -0.20 0.00 0.05 0.00 0.00 38.32 38.94 3gju h ASN 81 CO 0.05 0.71 -0.34 -0.22 -1.65 0.00 0.00 177.43 175.99 3gju s LEU 82 N -8.67 -1.39 0.24 1.61 2.96 -0.15 -5.04 118.68 108.23 3gju s LEU 82 Ca -0.16 -0.09 -0.03 0.00 -0.22 0.00 0.00 54.13 53.63 3gju s LEU 82 Cb -0.01 1.84 0.26 0.00 0.50 0.00 0.00 46.19 48.79 3gju s LEU 82 CO 0.62 -0.23 1.71 0.00 -1.32 0.00 0.00 176.35 177.13 3gju h ALA 83 N 7.52 1.01 -2.73 5.97 0.00 -1.58 -3.42 119.26 126.03 3gju h ALA 83 Ca -0.01 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 3gju h ALA 83 Cb 1.19 -0.19 -0.26 0.00 0.00 0.00 0.00 17.79 18.53 3gju h ALA 83 CO 0.10 0.60 -0.29 -0.47 0.00 0.00 0.00 179.25 179.18 3gju s TYR 84 N -4.89 -0.51 0.09 0.00 5.04 -1.26 -3.71 117.35 112.12 3gju s TYR 84 Ca -0.10 1.16 -0.07 0.00 -2.44 0.00 0.00 57.07 55.62 3gju s TYR 84 Cb 0.14 0.20 -0.01 0.00 0.35 0.00 0.00 41.96 42.64 3gju s TYR 84 CO 0.82 -0.28 0.16 -0.47 -1.34 0.00 0.00 175.55 174.44 3gju s TYR 85 N 0.90 0.27 0.77 4.97 5.04 -1.26 -5.06 117.35 122.98 3gju s TYR 85 Ca -0.06 -0.71 -0.11 0.00 -2.44 0.00 0.00 57.07 53.75 3gju s TYR 85 Cb -0.06 -0.13 0.05 0.00 0.35 0.00 0.00 41.96 42.17 3gju s TYR 85 CO -0.07 -0.54 1.10 -3.38 -1.34 0.00 0.00 175.55 171.32 3gju s HIS 86 N -3.89 2.98 -0.18 4.97 -3.43 -1.26 -4.73 115.29 109.75 3gju s HIS 86 Ca 0.08 1.12 0.16 0.00 -0.80 0.00 0.00 55.06 55.62 3gju s HIS 86 Cb 0.05 -3.11 0.45 0.00 -1.43 0.00 0.00 32.58 28.55 3gju s HIS 86 CO -0.09 -1.59 1.34 0.00 -2.00 0.00 0.00 174.74 172.40 3gju n ALA 87 N -3.30 2.94 -1.71 -1.38 0.00 -1.26 -4.15 120.51 111.64 3gju n ALA 87 Ca 0.07 -2.53 -0.32 0.00 0.00 0.00 0.00 53.44 50.66 3gju n ALA 87 Cb 0.57 -0.61 0.01 0.00 0.00 0.00 0.00 19.45 19.42 3gju n ALA 87 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3gju s TYR 88 N -2.91 3.24 -1.32 0.00 1.51 -1.26 -3.83 117.35 112.78 3gju s TYR 88 Ca 0.39 1.44 -0.21 0.00 -1.01 0.00 0.00 57.07 57.68 3gju s TYR 88 Cb 0.33 -2.87 0.02 0.00 -0.11 0.00 0.00 41.96 39.33 3gju s TYR 88 CO 0.06 -0.91 0.49 1.33 -1.11 0.00 0.00 175.55 175.40 3gju n VAL 89 N -2.37 -2.61 -1.16 0.71 0.24 -1.26 -1.46 118.33 110.42 3gju n VAL 89 Ca 0.07 -0.61 -0.06 0.00 -2.04 0.00 0.00 64.34 61.71 3gju n VAL 89 Cb 0.53 -2.18 -0.02 0.00 -1.47 0.00 0.00 33.84 30.70 3gju n VAL 89 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gju n GLY 90 N -2.18 0.74 3.86 7.63 0.00 -1.26 -5.02 105.19 108.97 3gju n GLY 90 Ca -0.18 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 3gju n GLY 90 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gju s HIS 91 N -1.95 3.40 0.03 1.61 4.02 -0.54 -5.07 115.29 116.79 3gju s HIS 91 Ca 0.00 1.03 -0.02 0.00 1.02 0.00 0.00 55.06 57.09 3gju s HIS 91 Cb 0.00 -2.39 0.01 0.00 -1.02 0.00 0.00 32.58 29.18 3gju s HIS 91 CO 0.00 0.16 0.08 0.41 1.02 0.00 0.00 174.74 176.41 3gju n GLY 92 N -0.34 1.60 3.23 -2.22 0.00 -1.26 -4.17 105.19 102.04 3gju n GLY 92 Ca 0.02 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 3gju n GLY 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gju s THR 93 N -2.74 0.62 0.27 2.61 -4.23 -1.26 -5.00 115.64 105.90 3gju s THR 93 Ca 0.02 -1.97 -0.02 0.00 -1.18 0.00 0.00 61.69 58.54 3gju s THR 93 Cb -0.00 -2.12 0.27 0.00 1.34 0.00 0.00 72.50 71.99 3gju s THR 93 CO 0.01 -0.47 1.86 -0.08 -0.54 0.00 0.00 174.62 175.39 3gju h GLU 94 N 2.71 1.03 -0.50 3.99 4.81 -2.01 -2.46 114.58 122.15 3gju h GLU 94 Ca -0.37 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 3gju h GLU 94 Cb 1.20 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 3gju h GLU 94 CO 0.62 0.68 0.31 0.00 -0.73 0.00 0.00 179.01 179.90 3gju h ALA 95 N 1.48 0.63 -0.36 2.92 0.00 -1.95 -1.08 119.26 120.91 3gju h ALA 95 Ca 0.45 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.17 3gju h ALA 95 Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3gju h ALA 95 CO -0.21 0.10 -0.32 0.66 0.00 0.00 0.00 179.25 179.48 3gju h SER 96 N 0.67 0.90 -0.56 0.00 4.64 -1.81 -1.22 113.55 116.16 3gju h SER 96 Ca 0.18 -0.46 -0.03 0.00 -0.47 0.00 0.00 61.79 61.02 3gju h SER 96 Cb -0.04 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 61.77 3gju h SER 96 CO -0.04 1.17 0.25 0.40 -0.87 0.00 0.00 176.83 177.75 3gju h ILE 97 N 0.64 1.21 -0.35 0.95 2.04 -1.38 -1.57 117.51 119.06 3gju h ILE 97 Ca 0.06 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 3gju h ILE 97 Cb 0.90 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3gju h ILE 97 CO 0.08 0.25 0.08 0.74 0.00 0.00 0.00 178.15 179.30 3gju h THR 98 N 0.77 1.23 -0.74 -0.27 2.02 -1.16 -2.71 112.91 112.03 3gju h THR 98 Ca 0.19 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 3gju h THR 98 Cb 0.15 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 3gju h THR 98 CO -0.02 0.26 0.41 0.25 0.37 0.00 0.00 175.52 176.79 3gju h LEU 99 N 0.41 0.93 -0.49 2.58 5.85 -1.08 -2.64 115.31 120.87 3gju h LEU 99 Ca 0.11 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.77 3gju h LEU 99 Cb 0.31 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3gju h LEU 99 CO 0.00 0.75 0.26 0.00 -0.34 0.00 0.00 178.44 179.11 3gju h ALA 100 N 1.21 0.62 0.00 1.25 0.00 -1.15 0.10 119.26 121.28 3gju h ALA 100 Ca 0.26 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3gju h ALA 100 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3gju h ALA 100 CO -0.04 -0.08 0.00 1.17 0.00 0.00 0.00 179.25 180.30 3gju n LYS 101 N -4.87 0.06 0.00 0.00 3.00 -1.00 -1.72 118.16 113.63 3gju n LYS 101 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 3gju n LYS 101 Cb 0.11 -1.28 0.00 0.00 0.00 0.00 0.00 35.03 33.86 3gju n LYS 101 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 3gju n ILE 103 N 0.76 0.00 -0.16 3.15 5.41 0.02 -1.30 119.36 127.24 3gju n ILE 103 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 3gju n ILE 103 Cb 0.02 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 38.97 3gju n ILE 103 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3gju h ILE 104 N 0.00 1.15 -0.96 1.39 1.08 -1.58 -0.24 117.51 118.34 3gju h ILE 104 Ca 0.00 -0.33 0.16 0.00 -0.39 0.00 0.00 64.86 64.30 3gju h ILE 104 Cb 0.00 0.50 -0.09 0.00 -3.07 0.00 0.00 36.82 34.17 3gju h ILE 104 CO 0.00 0.15 0.61 0.44 -0.69 0.00 0.00 178.15 178.66 3gju h ASP 105 N 0.64 0.73 1.17 1.72 3.32 -1.46 -2.53 116.42 120.00 3gju h ASP 105 Ca 0.17 0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.18 3gju h ASP 105 Cb -0.01 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3gju h ASP 105 CO -0.03 0.33 -0.88 0.03 -1.72 0.00 0.00 179.24 176.97 3gju h ARG 106 N 0.75 0.00 -7.38 3.56 3.08 -1.65 -3.47 114.38 109.27 3gju h ARG 106 Ca 0.51 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 60.07 3gju h ARG 106 Cb 0.79 0.00 0.12 0.00 0.08 0.00 0.00 29.97 30.96 3gju h ARG 106 CO -0.28 0.30 0.32 0.00 -1.07 0.00 0.00 179.97 179.25 3gju s ALA 107 N -3.03 2.17 0.37 0.04 0.00 -0.17 -4.77 121.76 116.37 3gju s ALA 107 Ca 0.01 -0.10 -0.27 0.00 0.00 0.00 0.00 51.96 51.59 3gju s ALA 107 Cb 0.08 -3.15 -0.11 0.00 0.00 0.00 0.00 23.12 19.94 3gju s ALA 107 CO 0.77 -1.79 1.34 -2.30 0.00 0.00 0.00 175.76 173.79 3gju n PRO 108 N -3.49 2.24 -1.66 0.00 -0.02 -1.26 -4.88 135.00 125.94 3gju n PRO 108 Ca 0.07 0.79 -0.46 0.00 -2.02 0.00 0.00 63.50 61.89 3gju n PRO 108 Cb 0.55 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 3gju n PRO 108 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3gju n LYS 109 N 0.40 1.91 0.00 -0.52 3.00 -1.26 -4.91 118.16 116.79 3gju n LYS 109 Ca 0.04 0.68 0.00 0.00 -0.00 0.00 0.00 58.31 59.03 3gju n LYS 109 Cb 0.38 -2.33 0.00 0.00 0.00 0.00 0.00 35.03 33.08 3gju n LYS 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3gju n GLY 110 N 2.27 0.69 0.00 3.14 0.00 -1.26 -5.09 105.19 104.94 3gju n GLY 110 Ca 0.13 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3gju n GLY 110 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gju n SER 112 N 0.00 0.00 -4.34 1.61 3.41 -0.14 -0.16 113.62 113.99 3gju n SER 112 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.38 3gju n SER 112 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 3gju n SER 112 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3gju s ARG 113 N -0.10 1.29 -0.06 4.33 3.00 -1.14 -4.98 118.95 121.29 3gju s ARG 113 Ca 0.00 -1.39 0.03 0.00 0.00 0.00 0.00 55.73 54.37 3gju s ARG 113 Cb 0.00 -1.44 0.01 0.00 0.00 0.00 0.00 34.95 33.52 3gju s ARG 113 CO 0.00 0.30 -0.13 0.08 0.00 0.00 0.00 175.30 175.55 3gju s VAL 114 N -1.82 1.17 -0.16 3.52 1.01 -1.26 -0.27 120.40 122.59 3gju s VAL 114 Ca 0.15 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 3gju s VAL 114 Cb -0.07 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 3gju s VAL 114 CO 0.07 0.36 -0.08 -0.47 0.00 0.00 0.00 175.10 174.98 3gju s TYR 115 N 0.57 2.92 0.05 5.22 5.04 -0.50 -4.95 117.35 125.71 3gju s TYR 115 Ca -0.13 -0.62 -0.09 0.00 -2.44 0.00 0.00 57.07 53.78 3gju s TYR 115 Cb -0.15 -1.96 -0.05 0.00 0.35 0.00 0.00 41.96 40.15 3gju s TYR 115 CO 0.04 -0.25 0.37 -0.06 -1.34 0.00 0.00 175.55 174.30 3gju s PHE 116 N 0.69 3.59 0.00 4.97 0.08 -1.26 -0.99 117.98 125.06 3gju s PHE 116 Ca -0.04 0.75 0.00 0.00 0.12 0.00 0.00 56.93 57.76 3gju s PHE 116 Cb -0.15 -2.12 0.00 0.00 -0.57 0.00 0.00 43.02 40.18 3gju s PHE 116 CO 0.02 0.55 0.00 0.41 -0.10 0.00 0.00 175.22 176.10 3gju n GLY 117 N 1.03 5.42 0.02 4.36 0.00 -0.31 -4.14 105.19 111.57 3gju n GLY 117 Ca -0.09 -1.39 -0.02 0.00 0.00 0.00 0.00 46.02 44.52 3gju n GLY 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gju n LEU 118 N 0.00 0.55 -4.12 0.99 7.99 -1.26 -1.04 117.00 120.11 3gju n LEU 118 Ca 0.00 -0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.87 3gju n LEU 118 Cb 0.00 0.04 -0.11 0.00 -0.11 0.00 0.00 43.42 43.24 3gju n LEU 118 CO 0.00 0.17 -0.40 -0.94 -1.51 0.00 0.00 177.39 174.71 3gju s SER 119 N -3.57 1.08 0.29 -1.43 1.04 -1.26 -2.33 113.70 107.52 3gju s SER 119 Ca -0.02 -0.75 0.02 0.00 0.48 0.00 0.00 55.95 55.67 3gju s SER 119 Cb 0.01 0.05 0.58 0.00 0.10 0.00 0.00 66.02 66.76 3gju s SER 119 CO 0.12 -0.30 1.84 1.23 0.98 0.00 0.00 173.24 177.11 3gju h GLY 120 N 3.81 1.61 0.82 7.32 0.00 -1.86 -1.63 103.07 113.13 3gju h GLY 120 Ca -0.36 -0.41 0.04 0.00 0.00 0.00 0.00 47.33 46.60 3gju h GLY 120 CO 0.51 0.15 0.48 1.76 0.00 0.00 0.00 176.54 179.44 3gju h SER 121 N 0.97 0.78 0.80 0.19 0.02 -1.97 -1.26 113.55 113.08 3gju h SER 121 Ca 0.50 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.38 3gju h SER 121 Cb 0.51 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 3gju h SER 121 CO -0.26 0.53 -0.33 -2.24 -1.14 0.00 0.00 176.83 173.38 3gju h ASP 122 N 0.92 0.00 -0.27 3.07 3.04 -1.70 -1.25 116.42 120.23 3gju h ASP 122 Ca 0.32 0.00 -0.15 0.00 -3.24 0.00 0.00 57.03 53.96 3gju h ASP 122 Cb 0.07 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.36 3gju h ASP 122 CO -0.13 0.33 -0.40 0.00 -2.04 0.00 0.00 179.24 177.00 3gju h ALA 123 N 1.67 0.42 -0.08 4.15 0.00 -0.77 0.58 119.26 125.22 3gju h ALA 123 Ca -0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 3gju h ALA 123 Cb 0.82 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3gju h ALA 123 CO 0.04 0.52 -0.34 -0.91 0.00 0.00 0.00 179.25 178.56 3gju h ASN 124 N 0.50 0.17 -0.13 0.00 2.35 -1.09 -0.11 115.58 117.26 3gju h ASN 124 Ca 0.03 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3gju h ASN 124 Cb 0.99 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.31 3gju h ASN 124 CO 0.09 0.50 0.08 -0.08 -1.65 0.00 0.00 177.43 176.38 3gju h GLU 125 N 0.14 0.18 -0.59 0.81 4.57 -0.83 -2.01 114.58 116.86 3gju h GLU 125 Ca 0.02 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.25 3gju h GLU 125 Cb 0.68 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.17 3gju h GLU 125 CO 0.05 0.16 0.29 1.15 -1.18 0.00 0.00 179.01 179.47 3gju h THR 126 N 0.15 0.91 -0.54 0.32 2.02 -0.54 -2.33 112.91 112.89 3gju h THR 126 Ca 0.05 -0.18 0.11 0.00 0.77 0.00 0.00 66.41 67.15 3gju h THR 126 Cb 0.02 0.33 -0.09 0.00 -1.74 0.00 0.00 68.15 66.67 3gju h THR 126 CO -0.01 0.10 0.02 0.78 0.37 0.00 0.00 175.52 176.78 3gju h ASN 127 N 0.53 -0.20 -0.15 4.18 2.35 -0.62 0.26 115.58 121.93 3gju h ASN 127 Ca 0.27 0.13 0.01 0.00 -0.55 0.00 0.00 56.30 56.16 3gju h ASN 127 Cb 0.22 0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3gju h ASN 127 CO -0.21 -0.07 0.06 0.40 -1.65 0.00 0.00 177.43 175.96 3gju h ILE 128 N 0.14 0.98 -0.98 2.81 2.04 -0.91 -0.25 117.51 121.34 3gju h ILE 128 Ca 0.28 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 66.10 3gju h ILE 128 Cb 0.43 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 3gju h ILE 128 CO -0.44 0.03 0.65 0.11 0.00 0.00 0.00 178.15 178.49 3gju h LYS 129 N 0.14 1.29 -0.56 2.37 1.57 -0.89 -1.71 116.57 118.78 3gju h LYS 129 Ca 0.06 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 3gju h LYS 129 Cb 0.02 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 3gju h LYS 129 CO -0.05 0.85 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.54 3gju h LEU 130 N 1.33 1.03 -0.51 2.94 3.38 -0.53 0.19 115.31 123.13 3gju h LEU 130 Ca 0.36 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3gju h LEU 130 Cb -0.15 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.30 3gju h LEU 130 CO -0.08 1.11 0.22 0.40 0.09 0.00 0.00 178.44 180.19 3gju h ILE 131 N 0.93 1.21 -0.19 1.22 2.04 -0.71 0.10 117.51 122.10 3gju h ILE 131 Ca 0.15 -0.62 -0.12 0.00 1.00 0.00 0.00 64.86 65.27 3gju h ILE 131 Cb 0.64 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3gju h ILE 131 CO 0.04 0.24 -0.36 -0.50 0.00 0.00 0.00 178.15 177.57 3gju h TRP 132 N 0.68 0.73 -0.61 1.37 6.55 -1.19 -2.40 115.95 121.08 3gju h TRP 132 Ca 0.17 -0.26 0.05 0.00 0.95 0.00 0.00 58.89 59.81 3gju h TRP 132 Cb 0.17 -0.14 -0.05 0.00 -0.86 0.00 0.00 29.16 28.28 3gju h TRP 132 CO 0.00 1.00 0.33 -0.92 -1.05 0.00 0.00 178.44 177.80 3gju h TYR 133 N 0.25 0.60 -0.23 0.49 5.03 -0.81 -0.42 116.97 121.88 3gju h TYR 133 Ca 0.01 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.37 3gju h TYR 133 Cb 0.95 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 39.03 3gju h TYR 133 CO 0.09 0.29 0.09 -0.92 -1.32 0.00 0.00 178.16 176.38 3gju h TYR 134 N 0.62 0.15 -0.09 -3.82 3.20 -0.72 -0.44 116.97 115.87 3gju h TYR 134 Ca 0.27 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 62.02 3gju h TYR 134 Cb 0.17 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 3gju h TYR 134 CO -0.09 0.08 -0.54 -0.91 -1.64 0.00 0.00 178.16 175.06 3gju h ASN 135 N 0.20 0.30 -0.56 -2.11 2.35 -1.05 -2.03 115.58 112.68 3gju h ASN 135 Ca 0.10 -0.16 -0.12 0.00 -0.55 0.00 0.00 56.30 55.58 3gju h ASN 135 Cb 0.06 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3gju h ASN 135 CO -0.10 0.78 -0.10 0.78 -1.65 0.00 0.00 177.43 177.15 3gju h ASN 136 N 0.21 1.05 -0.93 5.81 2.35 -0.64 0.47 115.58 123.91 3gju h ASN 136 Ca 0.00 -0.35 0.02 0.00 -0.55 0.00 0.00 56.30 55.42 3gju h ASN 136 Cb 1.02 -0.29 -0.05 0.00 0.05 0.00 0.00 38.32 39.06 3gju h ASN 136 CO 0.09 1.15 0.61 0.58 -1.65 0.00 0.00 177.43 178.21 3gju h VAL 137 N 0.93 1.22 0.00 2.81 2.07 -0.91 -1.68 116.25 120.69 3gju h VAL 137 Ca 0.14 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3gju h VAL 137 Cb 0.68 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3gju h VAL 137 CO 0.05 0.23 0.00 0.18 0.02 0.00 0.00 177.57 178.04 3gju n LEU 138 N -4.40 0.00 -1.18 2.57 4.77 -0.78 -4.89 117.00 113.08 3gju n LEU 138 Ca 0.11 0.08 -0.07 0.00 -0.03 0.00 0.00 56.01 56.10 3gju n LEU 138 Cb 0.04 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3gju n LEU 138 CO 0.36 -0.01 0.02 0.61 -1.33 0.00 0.00 177.39 177.05 3gju n GLY 139 N 0.91 0.39 2.58 -0.72 0.00 -0.63 -4.98 105.19 102.73 3gju n GLY 139 Ca 0.20 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 3gju n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gju n ARG 140 N -1.75 2.28 0.31 1.61 1.74 0.13 -4.95 116.66 116.03 3gju n ARG 140 Ca -0.02 -4.29 0.17 0.00 -0.77 0.00 0.00 57.85 52.94 3gju n ARG 140 Cb 0.53 -2.01 0.98 0.00 -1.02 0.00 0.00 32.46 30.94 3gju n ARG 140 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3gju h PRO 141 N 3.32 0.00 0.00 5.56 0.13 -1.88 -1.64 132.00 137.49 3gju h PRO 141 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3gju h PRO 141 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3gju h PRO 141 CO 0.71 0.02 -0.21 0.39 -0.23 0.00 0.00 178.00 178.67 3gju n GLU 142 N -3.51 0.21 -2.90 0.86 4.71 -1.26 -4.68 120.64 114.07 3gju n GLU 142 Ca -0.03 0.13 -0.44 0.00 -0.01 0.00 0.00 57.16 56.81 3gju n GLU 142 Cb 0.12 -1.70 -0.00 0.00 -1.01 0.00 0.00 31.44 28.84 3gju n GLU 142 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 3gju s LYS 143 N -3.09 3.99 0.00 3.49 2.20 -0.62 -4.30 119.74 121.41 3gju s LYS 143 Ca 0.10 -2.37 0.00 0.00 -0.36 0.00 0.00 55.97 53.34 3gju s LYS 143 Cb 0.14 -5.09 0.00 0.00 -1.51 0.00 0.00 37.83 31.37 3gju s LYS 143 CO 0.63 -1.82 0.00 1.63 -0.36 0.00 0.00 175.35 175.42 3gju n LYS 144 N 6.12 2.58 -2.33 4.03 4.76 -0.92 -4.42 118.16 127.97 3gju n LYS 144 Ca 0.36 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.43 3gju n LYS 144 Cb 0.44 -0.23 -0.02 0.00 -1.84 0.00 0.00 35.03 33.39 3gju n LYS 144 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3gju s LYS 145 N -0.05 3.77 -0.15 1.97 1.02 0.02 -4.61 119.74 121.71 3gju s LYS 145 Ca 0.00 1.67 0.01 0.00 0.02 0.00 0.00 55.97 57.66 3gju s LYS 145 Cb 0.00 -2.34 0.02 0.00 -0.52 0.00 0.00 37.83 34.99 3gju s LYS 145 CO 0.00 -0.51 -0.16 0.42 -0.92 0.00 0.00 175.35 174.17 3gju s ILE 146 N -1.64 1.73 -0.30 2.17 -1.09 -0.69 -0.13 121.20 121.24 3gju s ILE 146 Ca 0.64 -0.74 -0.14 0.00 -2.23 0.00 0.00 60.65 58.18 3gju s ILE 146 Cb -0.26 -1.59 -0.03 0.00 -1.58 0.00 0.00 42.46 39.01 3gju s ILE 146 CO 0.31 0.49 0.30 -0.63 -1.23 0.00 0.00 174.94 174.18 3gju s ILE 147 N 1.31 5.22 0.00 2.92 1.01 0.41 -1.01 121.20 131.06 3gju s ILE 147 Ca 0.02 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.87 3gju s ILE 147 Cb -0.13 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.64 3gju s ILE 147 CO -0.09 0.08 0.00 -0.24 0.00 0.00 0.00 174.94 174.69 3gju n SER 148 N 5.25 0.80 -3.94 3.58 2.88 0.41 -1.08 113.62 121.52 3gju n SER 148 Ca -0.11 -0.30 -0.11 0.00 -1.33 0.00 0.00 58.87 57.02 3gju n SER 148 Cb 0.50 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.84 3gju n SER 148 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3gju s ARG 149 N 0.93 0.20 0.37 -1.46 0.52 -1.26 -0.72 118.95 117.52 3gju s ARG 149 Ca 0.00 -0.34 -0.27 0.00 -0.52 0.00 0.00 55.73 54.59 3gju s ARG 149 Cb 0.00 0.02 -0.11 0.00 0.52 0.00 0.00 34.95 35.38 3gju s ARG 149 CO 0.00 -0.02 1.28 0.91 0.02 0.00 0.00 175.30 177.49 3gju n TRP 150 N 2.27 2.22 -0.78 -0.53 7.02 -0.49 -1.25 117.44 125.90 3gju n TRP 150 Ca -0.18 0.53 0.00 0.00 -1.02 0.00 0.00 57.50 56.83 3gju n TRP 150 Cb 0.57 -2.40 0.00 0.00 -2.42 0.00 0.00 31.31 27.06 3gju n TRP 150 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 3gju n ARG 151 N 0.38 -0.25 -1.89 -0.99 1.74 -0.11 -3.91 116.66 111.63 3gju n ARG 151 Ca 0.05 0.06 -0.35 0.00 -0.77 0.00 0.00 57.85 56.84 3gju n ARG 151 Cb 0.37 -3.74 0.05 0.00 -1.02 0.00 0.00 32.46 28.12 3gju n ARG 151 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3gju s GLY 152 N -2.00 2.62 -0.12 -0.13 0.00 -0.38 -3.68 107.32 103.62 3gju s GLY 152 Ca 0.00 0.94 0.01 0.00 0.00 0.00 0.00 44.72 45.67 3gju s GLY 152 CO 0.00 1.33 -0.12 -0.47 0.00 0.00 0.00 173.10 173.84 3gju s TYR 153 N -1.73 1.84 0.00 1.90 5.04 -1.26 -0.22 117.35 122.92 3gju s TYR 153 Ca 0.76 -0.94 0.00 0.00 -2.44 0.00 0.00 57.07 54.45 3gju s TYR 153 Cb -0.29 -1.39 0.00 0.00 0.35 0.00 0.00 41.96 40.62 3gju s TYR 153 CO 0.36 -0.54 0.48 0.72 -1.34 0.00 0.00 175.55 175.23 3gju n HIS 154 N 4.60 0.00 0.00 4.97 8.25 -1.26 -4.90 115.22 126.87 3gju n HIS 154 Ca -0.17 -0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 3gju n HIS 154 Cb 0.50 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.60 3gju n HIS 154 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gju n GLY 155 N -0.10 0.79 0.23 -1.41 0.00 -1.26 -4.55 105.19 98.90 3gju n GLY 155 Ca 0.00 -2.20 0.04 0.00 0.00 0.00 0.00 46.02 43.86 3gju n GLY 155 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gju n SER 156 N 0.95 1.07 -2.05 1.61 2.88 -1.26 -3.51 113.62 113.31 3gju n SER 156 Ca 0.00 -2.29 0.00 0.00 -1.33 0.00 0.00 58.87 55.25 3gju n SER 156 Cb 0.00 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 3gju n SER 156 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gju n GLY 157 N -0.58 0.00 0.00 0.46 0.00 -1.26 -4.69 105.19 99.12 3gju n GLY 157 Ca 0.06 -1.77 0.08 0.00 0.00 0.00 0.00 46.02 44.39 3gju n GLY 157 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gju n VAL 158 N -0.45 0.00 0.00 1.61 0.31 -1.26 -1.28 118.33 117.26 3gju n VAL 158 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3gju n VAL 158 Cb 0.00 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 3gju n VAL 158 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3gju n THR 160 N -0.81 0.00 0.15 2.52 -2.24 -1.26 -1.98 114.28 110.66 3gju n THR 160 Ca 0.12 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.93 3gju n THR 160 Cb 0.05 0.00 0.41 0.00 -2.10 0.00 0.00 70.33 68.69 3gju n THR 160 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3gju h GLY 161 N 0.00 0.16 0.92 3.38 0.00 -1.22 -0.76 103.07 105.54 3gju h GLY 161 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 3gju h GLY 161 CO 0.00 0.09 0.07 1.76 0.00 0.00 0.00 176.54 178.47 3gju h SER 162 N 0.14 0.57 -0.59 0.19 0.02 -1.59 -3.04 113.55 109.25 3gju h SER 162 Ca 0.03 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 60.74 3gju h SER 162 Cb 0.41 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 3gju h SER 162 CO 0.03 0.67 0.38 -0.07 -1.14 0.00 0.00 176.83 176.70 3gju h LEU 163 N 0.45 0.64 -9.38 5.07 3.38 -1.73 -3.43 115.31 110.31 3gju h LEU 163 Ca 0.11 -0.01 -0.62 0.00 0.09 0.00 0.00 57.88 57.45 3gju h LEU 163 Cb 0.33 -0.15 0.11 0.00 0.09 0.00 0.00 40.66 41.04 3gju h LEU 163 CO 0.00 0.46 0.03 0.41 0.09 0.00 0.00 178.44 179.44 3gju n THR 164 N -4.70 1.86 -1.57 0.22 -1.04 -0.34 -4.53 114.28 104.18 3gju n THR 164 Ca 0.04 -0.47 -0.04 0.00 -2.04 0.00 0.00 64.05 61.54 3gju n THR 164 Cb 0.04 -0.81 0.18 0.00 -1.82 0.00 0.00 70.33 67.92 3gju n THR 164 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gju n GLY 165 N 1.45 5.19 3.19 3.41 0.00 0.69 -4.92 105.19 114.19 3gju n GLY 165 Ca 0.12 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.36 3gju n GLY 165 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gju s LEU 166 N -3.31 2.09 0.56 0.99 1.43 -1.26 -0.94 118.68 118.24 3gju s LEU 166 Ca 0.44 -0.58 0.25 0.00 -1.03 0.00 0.00 54.13 53.21 3gju s LEU 166 Cb 0.40 -1.41 1.59 0.00 0.03 0.00 0.00 46.19 46.80 3gju s LEU 166 CO -0.02 0.12 2.19 -0.78 0.23 0.00 0.00 176.35 178.09 3gju h ASP 167 N 7.01 0.00 -0.91 2.29 3.58 -1.98 -2.43 116.42 123.98 3gju h ASP 167 Ca -0.26 0.00 0.18 0.00 0.42 0.00 0.00 57.03 57.37 3gju h ASP 167 Cb 1.21 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.19 3gju h ASP 167 CO 0.51 0.03 0.59 0.25 -2.88 0.00 0.00 179.24 177.74 3gju h LEU 168 N 0.00 0.56 -0.80 2.28 5.85 -1.96 0.09 115.31 121.34 3gju h LEU 168 Ca -0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3gju h LEU 168 Cb 0.06 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3gju h LEU 168 CO 0.00 0.24 0.00 0.49 -0.34 0.00 0.00 178.44 178.84 3gju n PHE 169 N -4.57 0.06 -0.03 1.25 3.72 -0.91 -4.17 117.46 112.80 3gju n PHE 169 Ca 0.19 -0.03 -0.05 0.00 -0.05 0.00 0.00 57.45 57.51 3gju n PHE 169 Cb 0.59 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.10 3gju n PHE 169 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3gju n HIS 170 N -0.01 0.00 -1.94 1.38 8.25 -0.20 -4.78 115.22 117.92 3gju n HIS 170 Ca 0.18 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.22 3gju n HIS 170 Cb 0.29 -0.26 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 3gju n HIS 170 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3gju s ASN 171 N -4.92 6.60 0.00 0.41 2.47 -0.15 -1.46 114.94 117.89 3gju s ASN 171 Ca -0.09 2.57 0.00 0.00 0.42 0.00 0.00 52.86 55.75 3gju s ASN 171 Cb 0.03 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.24 3gju s ASN 171 CO 0.15 -0.83 0.00 0.00 -3.72 0.00 0.00 177.10 172.69 3gju n ALA 172 N 4.44 0.00 0.09 1.71 0.00 -1.26 -4.81 120.51 120.68 3gju n ALA 172 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.61 3gju n ALA 172 Cb 0.39 -0.51 0.05 0.00 0.00 0.00 0.00 19.45 19.38 3gju n ALA 172 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3gju n PHE 173 N -2.39 0.12 -3.25 0.00 3.72 -0.54 -5.00 117.46 110.13 3gju n PHE 173 Ca 0.00 -0.23 -0.22 0.00 -0.05 0.00 0.00 57.45 56.95 3gju n PHE 173 Cb 0.12 -0.02 0.05 0.00 -0.94 0.00 0.00 39.48 38.70 3gju n PHE 173 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3gju n ASP 174 N 0.21 -5.97 -4.57 4.37 8.00 -1.21 -5.01 116.55 112.36 3gju n ASP 174 Ca 0.05 -0.39 -0.25 0.00 0.71 0.00 0.00 54.79 54.91 3gju n ASP 174 Cb 0.24 -4.69 -0.09 0.00 -0.02 0.00 0.00 41.12 36.57 3gju n ASP 174 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gju s LEU 175 N -6.56 2.95 0.39 0.64 1.43 -1.23 -4.46 118.68 111.84 3gju s LEU 175 Ca 0.42 -0.70 -0.18 0.00 -1.03 0.00 0.00 54.13 52.64 3gju s LEU 175 Cb -0.18 -1.55 -0.10 0.00 0.03 0.00 0.00 46.19 44.38 3gju s LEU 175 CO 0.52 0.06 0.87 -2.16 0.23 0.00 0.00 176.35 175.86 3gju s PRO 176 N -3.23 4.11 0.14 1.29 0.04 -1.26 -4.70 135.00 131.39 3gju s PRO 176 Ca 0.28 0.92 0.03 0.00 0.04 0.00 0.00 61.00 62.27 3gju s PRO 176 Cb -0.07 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 3gju s PRO 176 CO 0.16 0.02 0.21 1.03 0.04 0.00 0.00 177.00 178.46 3gju s ARG 177 N -3.19 3.19 0.56 4.56 0.52 -1.26 -5.01 118.95 118.32 3gju s ARG 177 Ca 0.58 -0.69 -0.21 0.00 -0.52 0.00 0.00 55.73 54.89 3gju s ARG 177 Cb -0.10 -2.83 -0.05 0.00 0.52 0.00 0.00 34.95 32.49 3gju s ARG 177 CO 0.16 0.52 1.29 0.00 0.02 0.00 0.00 175.30 177.30 3gju n ALA 178 N -0.31 1.32 -1.54 2.13 0.00 -1.26 -2.00 120.51 118.84 3gju n ALA 178 Ca -0.07 0.10 -0.34 0.00 0.00 0.00 0.00 53.44 53.13 3gju n ALA 178 Cb 0.54 -2.31 0.06 0.00 0.00 0.00 0.00 19.45 17.74 3gju n ALA 178 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3gju n PRO 179 N -1.07 2.85 -3.19 0.00 -0.04 -1.26 -5.13 135.00 127.17 3gju n PRO 179 Ca 0.11 -3.48 -0.39 0.00 -0.04 0.00 0.00 63.50 59.70 3gju n PRO 179 Cb 0.45 -2.28 -0.06 0.00 -0.04 0.00 0.00 33.50 31.57 3gju n PRO 179 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3gju s VAL 180 N -4.85 4.71 0.17 0.52 1.01 -0.85 -1.71 120.40 119.41 3gju s VAL 180 Ca 0.61 1.33 0.06 0.00 0.00 0.00 0.00 61.98 63.99 3gju s VAL 180 Cb 0.48 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 3gju s VAL 180 CO -0.06 0.51 -0.13 -0.76 0.00 0.00 0.00 175.10 174.65 3gju s LEU 181 N -0.84 2.52 -0.09 3.92 1.43 -0.18 -4.86 118.68 120.59 3gju s LEU 181 Ca 0.31 -0.98 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 3gju s LEU 181 Cb -0.20 -0.56 0.02 0.00 0.03 0.00 0.00 46.19 45.48 3gju s LEU 181 CO 0.20 -0.21 -0.09 -1.00 0.23 0.00 0.00 176.35 175.48 3gju s HIS 182 N -2.92 1.41 0.00 0.29 3.76 -1.26 -0.45 115.29 116.12 3gju s HIS 182 Ca 0.18 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 54.49 3gju s HIS 182 Cb -0.01 -1.11 0.00 0.00 1.11 0.00 0.00 32.58 32.57 3gju s HIS 182 CO 0.04 -0.38 0.00 -2.37 -0.85 0.00 0.00 174.74 171.18 3gju n THR 183 N 4.35 0.00 -1.85 1.30 5.66 0.10 -4.77 114.28 119.07 3gju n THR 183 Ca -0.18 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.41 3gju n THR 183 Cb 0.51 -0.97 -0.00 0.00 -1.55 0.00 0.00 70.33 68.32 3gju n THR 183 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3gju s GLU 184 N -1.10 4.12 0.23 1.09 0.41 -1.26 -1.40 118.70 120.80 3gju s GLU 184 Ca 0.00 2.51 -0.31 0.00 -0.41 0.00 0.00 54.97 56.76 3gju s GLU 184 Cb 0.00 -2.97 -0.12 0.00 -1.78 0.00 0.00 34.13 29.27 3gju s GLU 184 CO 0.00 -0.50 1.67 0.00 -0.49 0.00 0.00 175.26 175.95 3gju s ALA 185 N -1.13 3.87 -1.48 5.21 0.00 -1.25 -4.45 121.76 122.53 3gju s ALA 185 Ca 0.53 1.57 -0.11 0.00 0.00 0.00 0.00 51.96 53.95 3gju s ALA 185 Cb -0.45 -3.68 0.02 0.00 0.00 0.00 0.00 23.12 19.01 3gju s ALA 185 CO 0.61 -0.93 2.48 -0.35 0.00 0.00 0.00 175.76 177.57 3gju n PRO 186 N 3.43 3.53 -3.52 0.00 -0.04 -1.26 -4.80 135.00 132.35 3gju n PRO 186 Ca 0.13 -2.70 -0.28 0.00 -0.04 0.00 0.00 63.50 60.61 3gju n PRO 186 Cb 0.36 -2.96 -0.11 0.00 -0.04 0.00 0.00 33.50 30.75 3gju n PRO 186 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3gju s TYR 187 N 1.79 1.34 0.26 0.54 5.04 -1.26 -4.60 117.35 120.46 3gju s TYR 187 Ca 0.56 -2.20 -0.03 0.00 -2.44 0.00 0.00 57.07 52.96 3gju s TYR 187 Cb 0.16 -1.24 0.41 0.00 0.35 0.00 0.00 41.96 41.63 3gju s TYR 187 CO -0.07 -0.80 1.87 -0.92 -1.34 0.00 0.00 175.55 174.30 3gju h TYR 188 N 6.26 1.16 -0.42 4.97 3.20 -1.88 -2.63 116.97 127.62 3gju h TYR 188 Ca 0.14 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.10 3gju h TYR 188 Cb 0.92 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 3gju h TYR 188 CO 0.40 0.58 0.28 0.35 -1.64 0.00 0.00 178.16 178.13 3gju h PHE 189 N 1.12 0.34 -0.63 -3.82 3.57 -1.98 -2.13 116.94 113.40 3gju h PHE 189 Ca 0.43 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.94 3gju h PHE 189 Cb 0.21 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.83 3gju h PHE 189 CO -0.01 0.19 0.00 0.54 -2.23 0.00 0.00 178.31 176.80 3gju n ARG 190 N -4.48 3.69 -1.65 1.11 1.74 -1.00 -5.01 116.66 111.06 3gju n ARG 190 Ca 0.05 -2.87 -0.40 0.00 -0.77 0.00 0.00 57.85 53.86 3gju n ARG 190 Cb 0.24 -1.87 0.02 0.00 -1.02 0.00 0.00 32.46 29.83 3gju n ARG 190 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3gju n ARG 191 N 1.07 1.46 -0.15 5.56 1.85 -0.80 -4.91 116.66 120.74 3gju n ARG 191 Ca 0.25 0.53 -0.11 0.00 -1.00 0.00 0.00 57.85 57.53 3gju n ARG 191 Cb 0.88 -2.23 -0.01 0.00 -1.05 0.00 0.00 32.46 30.05 3gju n ARG 191 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 3gju h THR 192 N 1.46 1.27 -3.28 8.89 2.02 -1.94 -3.38 112.91 117.95 3gju h THR 192 Ca -0.47 -1.23 -0.76 0.00 0.77 0.00 0.00 66.41 64.73 3gju h THR 192 Cb 1.33 1.14 -0.26 0.00 -1.74 0.00 0.00 68.15 68.62 3gju h THR 192 CO 0.56 0.42 -0.20 -0.62 0.37 0.00 0.00 175.52 176.05 3gju s ASP 193 N -6.48 6.16 0.29 4.18 -1.08 -1.26 -4.93 116.67 113.55 3gju s ASP 193 Ca -0.12 -2.01 0.24 0.00 -0.52 0.00 0.00 52.55 50.13 3gju s ASP 193 Cb 0.11 -2.16 1.07 0.00 -1.46 0.00 0.00 42.92 40.49 3gju s ASP 193 CO 0.83 -0.76 1.72 0.03 0.52 0.00 0.00 175.17 177.52 3gju h ARG 194 N 8.54 0.00 -5.50 4.34 3.08 -1.98 -3.46 114.38 119.39 3gju h ARG 194 Ca -0.20 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.36 3gju h ARG 194 Cb 1.08 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.08 3gju h ARG 194 CO 0.94 0.00 1.65 -1.13 -1.07 0.00 0.00 179.97 180.35 3gju n SER 195 N -2.29 3.77 -4.49 7.04 3.41 -1.26 -5.11 113.62 114.68 3gju n SER 195 Ca 0.01 -2.79 -0.26 0.00 -0.26 0.00 0.00 58.87 55.58 3gju n SER 195 Cb 0.18 -1.71 -0.10 0.00 -0.26 0.00 0.00 64.21 62.32 3gju n SER 195 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3gju s SER 197 N 5.43 3.13 0.19 4.04 1.04 -1.26 -5.10 113.70 121.17 3gju s SER 197 Ca 0.62 -1.47 -0.12 0.00 0.48 0.00 0.00 55.95 55.46 3gju s SER 197 Cb 0.03 0.02 0.14 0.00 0.10 0.00 0.00 66.02 66.31 3gju s SER 197 CO 0.11 -0.66 1.84 -0.33 0.98 0.00 0.00 173.24 175.18 3gju h GLU 198 N 1.85 0.76 -0.25 4.02 5.08 -1.99 -0.76 114.58 123.27 3gju h GLU 198 Ca -0.41 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 57.77 3gju h GLU 198 Cb 1.26 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3gju h GLU 198 CO 0.71 0.50 -0.40 0.93 -1.00 0.00 0.00 179.01 179.76 3gju h GLU 199 N 0.78 0.59 -0.48 2.33 3.07 -1.94 -0.59 114.58 118.34 3gju h GLU 199 Ca 0.25 -0.30 -0.10 0.00 -0.50 0.00 0.00 59.36 58.71 3gju h GLU 199 Cb -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 3gju h GLU 199 CO -0.09 0.88 -0.09 1.96 -1.40 0.00 0.00 179.01 180.28 3gju h GLN 200 N 0.48 0.87 -0.48 2.33 4.20 -1.80 -0.41 115.11 120.30 3gju h GLN 200 Ca 0.04 -0.29 -0.12 0.00 0.06 0.00 0.00 58.65 58.34 3gju h GLN 200 Cb 0.90 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 3gju h GLN 200 CO 0.08 0.92 -0.17 0.35 -0.67 0.00 0.00 178.83 179.34 3gju h PHE 201 N 0.79 1.10 -0.77 2.96 3.57 -0.84 -0.75 116.94 122.99 3gju h PHE 201 Ca 0.13 -0.25 0.02 0.00 3.53 0.00 0.00 57.97 61.40 3gju h PHE 201 Cb 0.59 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.03 3gju h PHE 201 CO 0.03 1.06 0.50 0.77 -2.23 0.00 0.00 178.31 178.45 3gju h SER 202 N 0.82 0.85 -0.27 0.41 0.02 -0.91 0.64 113.55 115.11 3gju h SER 202 Ca 0.12 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 3gju h SER 202 Cb 0.74 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 3gju h SER 202 CO 0.06 0.60 -0.10 -0.61 -1.14 0.00 0.00 176.83 175.63 3gju h GLN 203 N 1.00 0.67 -0.49 3.45 5.75 -0.81 -1.04 115.11 123.65 3gju h GLN 203 Ca 0.30 -0.21 -0.01 0.00 -0.15 0.00 0.00 58.65 58.58 3gju h GLN 203 Cb -0.05 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 3gju h GLN 203 CO -0.09 0.76 0.25 1.25 -2.65 0.00 0.00 178.83 178.35 3gju h HIS 204 N 0.61 0.68 -0.52 3.99 2.76 -0.43 0.11 115.15 122.35 3gju h HIS 204 Ca 0.11 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 3gju h HIS 204 Cb 0.54 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 3gju h HIS 204 CO 0.02 0.52 0.31 0.00 -1.30 0.00 0.00 177.93 177.48 3gju h ALA 206 N 1.14 0.83 -0.51 0.00 0.00 -0.74 -1.47 119.26 118.51 3gju h ALA 206 Ca 0.19 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3gju h ALA 206 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3gju h ALA 206 CO -0.03 0.36 0.22 -0.44 0.00 0.00 0.00 179.25 179.36 3gju h ASP 207 N 0.88 0.69 -0.58 0.00 3.32 -0.48 -0.89 116.42 119.36 3gju h ASP 207 Ca 0.23 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 3gju h ASP 207 Cb 0.07 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3gju h ASP 207 CO -0.03 0.66 0.22 0.11 -1.72 0.00 0.00 179.24 178.47 3gju h LYS 208 N 0.68 0.91 -0.28 3.56 1.79 -0.90 -0.89 116.57 121.45 3gju h LYS 208 Ca 0.17 -0.16 -0.02 0.00 -2.18 0.00 0.00 60.65 58.47 3gju h LYS 208 Cb 0.17 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 3gju h LYS 208 CO -0.02 0.77 0.11 1.25 -1.08 0.00 0.00 179.45 180.48 3gju h LEU 209 N 0.89 0.38 -0.57 2.94 5.85 -0.95 -3.04 115.31 120.81 3gju h LEU 209 Ca 0.21 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.81 3gju h LEU 209 Cb 0.22 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 3gju h LEU 209 CO -0.01 0.44 0.31 -0.08 -0.34 0.00 0.00 178.44 178.75 3gju h GLU 210 N 0.30 0.58 -0.81 1.25 4.81 -0.90 -0.97 114.58 118.85 3gju h GLU 210 Ca 0.09 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3gju h GLU 210 Cb 0.17 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3gju h GLU 210 CO -0.01 0.38 0.00 0.39 -0.73 0.00 0.00 179.01 179.04 3gju n GLU 211 N -4.83 0.00 0.00 1.92 1.02 -0.36 -1.34 120.64 117.05 3gju n GLU 211 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3gju n GLU 211 Cb 0.14 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 3gju n GLU 211 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3gju n ILE 213 N 0.69 0.00 -0.13 -3.67 5.41 -0.37 -0.86 119.36 120.43 3gju n ILE 213 Ca 0.00 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.62 3gju n ILE 213 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 3gju n ILE 213 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3gju h LEU 214 N 0.00 0.97 -0.73 1.39 3.38 -1.47 -0.83 115.31 118.02 3gju h LEU 214 Ca 0.00 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 3gju h LEU 214 Cb 0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3gju h LEU 214 CO 0.00 1.20 0.12 0.00 0.09 0.00 0.00 178.44 179.85 3gju h ALA 215 N 0.80 0.95 0.00 1.53 0.00 -1.25 -2.77 119.26 118.53 3gju h ALA 215 Ca 0.08 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3gju h ALA 215 Cb 0.89 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3gju h ALA 215 CO 0.08 0.66 -0.29 0.93 0.00 0.00 0.00 179.25 180.63 3gju h GLU 216 N 1.02 0.00 -0.19 0.00 4.39 -1.79 -3.49 114.58 114.52 3gju h GLU 216 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 3gju h GLU 216 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 3gju h GLU 216 CO 0.01 0.29 0.00 0.41 -1.16 0.00 0.00 179.01 178.56 3gju n GLY 217 N 0.75 0.49 0.33 -3.84 0.00 -0.34 -4.73 105.19 97.85 3gju n GLY 217 Ca 0.02 -1.01 0.09 0.00 0.00 0.00 0.00 46.02 45.11 3gju n GLY 217 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gju h PRO 218 N 0.00 0.41 0.00 1.61 0.11 -1.74 -0.22 132.00 132.17 3gju h PRO 218 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3gju h PRO 218 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 3gju h PRO 218 CO 0.00 0.27 0.00 -0.85 -0.21 0.00 0.00 178.00 177.21 3gju n GLU 219 N -4.47 0.10 0.00 1.05 0.00 -1.26 -1.89 120.64 114.16 3gju n GLU 219 Ca 0.07 0.59 0.09 0.00 0.00 0.00 0.00 57.16 57.91 3gju n GLU 219 Cb 0.25 -1.83 -0.07 0.00 0.00 0.00 0.00 31.44 29.80 3gju n GLU 219 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3gju n THR 220 N -2.04 0.00 -3.30 3.84 -2.24 -0.10 -3.31 114.28 107.14 3gju n THR 220 Ca -0.01 -0.14 -0.41 0.00 -2.27 0.00 0.00 64.05 61.21 3gju n THR 220 Cb 0.03 1.08 -0.08 0.00 -2.10 0.00 0.00 70.33 69.26 3gju n THR 220 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3gju s ILE 221 N -2.56 5.07 -0.10 2.28 -1.09 -0.79 -0.80 121.20 123.19 3gju s ILE 221 Ca 0.10 0.18 -0.07 0.00 -2.23 0.00 0.00 60.65 58.63 3gju s ILE 221 Cb 0.15 -3.93 -0.27 0.00 -1.58 0.00 0.00 42.46 36.82 3gju s ILE 221 CO 0.67 -0.21 0.43 0.00 -1.23 0.00 0.00 174.94 174.60 3gju h ALA 222 N 8.50 0.38 -2.68 9.38 0.00 -0.74 -3.44 119.26 130.66 3gju h ALA 222 Ca -0.28 -1.35 -0.04 0.00 0.00 0.00 0.00 54.91 53.24 3gju h ALA 222 Cb 1.13 0.66 -0.14 0.00 0.00 0.00 0.00 17.79 19.43 3gju h ALA 222 CO 0.75 1.26 0.11 0.00 0.00 0.00 0.00 179.25 181.38 3gju s ALA 223 N -2.56 -1.44 -0.05 0.00 0.00 -1.06 -1.63 121.76 115.01 3gju s ALA 223 Ca -0.21 0.56 0.04 0.00 0.00 0.00 0.00 51.96 52.35 3gju s ALA 223 Cb 0.06 0.59 -0.00 0.00 0.00 0.00 0.00 23.12 23.77 3gju s ALA 223 CO 0.79 -0.62 -0.18 0.12 0.00 0.00 0.00 175.76 175.87 3gju s PHE 224 N -3.01 1.81 -0.05 0.00 2.19 0.10 -0.44 117.98 118.57 3gju s PHE 224 Ca -0.02 -0.57 0.06 0.00 0.33 0.00 0.00 56.93 56.73 3gju s PHE 224 Cb -0.00 -1.23 -0.01 0.00 -1.31 0.00 0.00 43.02 40.47 3gju s PHE 224 CO -0.06 -0.21 -0.25 -1.50 1.83 0.00 0.00 175.22 175.03 3gju s ILE 225 N 0.16 2.11 -0.17 3.12 2.07 -0.24 -0.68 121.20 127.58 3gju s ILE 225 Ca -0.07 -1.05 -0.21 0.00 -1.41 0.00 0.00 60.65 57.91 3gju s ILE 225 Cb -0.13 -1.76 0.05 0.00 0.13 0.00 0.00 42.46 40.75 3gju s ILE 225 CO 0.03 0.57 0.56 -0.83 -1.91 0.00 0.00 174.94 173.36 3gju s GLY 226 N -0.25 -0.42 0.30 1.50 0.00 -0.77 -4.45 107.32 103.24 3gju s GLY 226 Ca -0.01 1.43 -0.29 0.00 0.00 0.00 0.00 44.72 45.85 3gju s GLY 226 CO 0.03 1.19 1.28 -0.54 0.00 0.00 0.00 173.10 175.06 3gju s GLU 227 N -0.07 4.40 0.22 2.90 2.02 -1.26 -1.01 118.70 125.90 3gju s GLU 227 Ca -0.03 2.13 -0.08 0.00 0.02 0.00 0.00 54.97 57.01 3gju s GLU 227 Cb -0.04 -3.11 0.30 0.00 0.10 0.00 0.00 34.13 31.39 3gju s GLU 227 CO 0.02 -0.14 1.77 -1.35 0.02 0.00 0.00 175.26 175.59 3gju h PRO 228 N 3.78 0.54 -4.94 0.39 0.11 -1.94 -3.40 132.00 126.53 3gju h PRO 228 Ca -0.48 -0.03 -0.49 0.00 0.11 0.00 0.00 66.00 65.11 3gju h PRO 228 Cb 1.22 -0.12 -0.31 0.00 0.11 0.00 0.00 31.00 31.90 3gju h PRO 228 CO 0.68 0.36 -0.81 -1.50 -0.21 0.00 0.00 178.00 176.51 3gju s ILE 229 N -6.07 1.09 0.15 4.15 2.07 -1.26 -4.20 121.20 117.13 3gju s ILE 229 Ca -0.13 -0.53 -0.31 0.00 -1.41 0.00 0.00 60.65 58.27 3gju s ILE 229 Cb 0.17 -0.94 -0.09 0.00 0.13 0.00 0.00 42.46 41.73 3gju s ILE 229 CO 0.76 0.32 1.47 -0.76 -1.91 0.00 0.00 174.94 174.82 3gju s LEU 230 N 0.10 4.37 0.00 8.50 1.43 -0.73 -4.84 118.68 127.51 3gju s LEU 230 Ca -0.03 2.49 0.00 0.00 -1.03 0.00 0.00 54.13 55.56 3gju s LEU 230 Cb -0.10 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.53 3gju s LEU 230 CO 0.01 -0.73 0.00 0.61 0.23 0.00 0.00 176.35 176.47 3gju n GLY 231 N 3.42 0.80 0.29 -3.19 0.00 -1.26 -1.45 105.19 103.79 3gju n GLY 231 Ca 0.12 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.28 3gju n GLY 231 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3gju h THR 232 N 0.00 0.54 0.00 2.61 2.02 -1.93 -0.20 112.91 115.95 3gju h THR 232 Ca 0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3gju h THR 232 Cb 0.00 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3gju h THR 232 CO 0.00 0.03 0.00 0.61 0.37 0.00 0.00 175.52 176.53 3gju n GLY 233 N -1.19 -0.69 0.00 2.16 0.00 -1.24 -4.30 105.19 99.94 3gju n GLY 233 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3gju n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gju n GLY 234 N 0.28 -0.12 3.44 -0.02 0.00 -0.30 -4.85 105.19 103.61 3gju n GLY 234 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 3gju n GLY 234 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gju n ILE 235 N 0.00 -6.56 -4.02 -0.61 5.41 -0.24 -4.86 119.36 108.48 3gju n ILE 235 Ca 0.00 -0.10 -0.31 0.00 1.00 0.00 0.00 62.75 63.34 3gju n ILE 235 Cb 0.00 -4.82 -0.15 0.00 -0.71 0.00 0.00 39.64 33.96 3gju n ILE 235 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3gju s VAL 236 N -2.97 2.30 0.67 1.39 1.01 -0.53 -4.58 120.40 117.69 3gju s VAL 236 Ca 0.01 -2.31 -0.17 0.00 0.00 0.00 0.00 61.98 59.50 3gju s VAL 236 Cb -0.00 -2.69 -0.00 0.00 0.00 0.00 0.00 36.38 33.69 3gju s VAL 236 CO 0.83 -0.58 1.24 -2.65 0.00 0.00 0.00 175.10 173.94 3gju n PRO 237 N 4.27 0.95 -2.20 2.72 -0.02 -1.26 -1.77 135.00 137.68 3gju n PRO 237 Ca 0.03 0.38 -0.38 0.00 -2.02 0.00 0.00 63.50 61.51 3gju n PRO 237 Cb 0.42 -2.48 -0.01 0.00 -0.02 0.00 0.00 33.50 31.41 3gju n PRO 237 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3gju s PRO 238 N -3.42 3.94 0.73 0.52 0.04 -1.26 -4.84 135.00 130.71 3gju s PRO 238 Ca 0.81 1.93 -0.13 0.00 0.04 0.00 0.00 61.00 63.64 3gju s PRO 238 Cb -0.37 -2.63 0.04 0.00 0.04 0.00 0.00 34.50 31.57 3gju s PRO 238 CO 0.42 -0.44 1.12 -1.25 0.04 0.00 0.00 177.00 176.89 3gju s PRO 239 N -2.37 2.39 0.13 0.56 0.04 -1.26 -4.91 135.00 129.58 3gju s PRO 239 Ca 0.59 1.37 -0.35 0.00 0.04 0.00 0.00 61.00 62.64 3gju s PRO 239 Cb -0.33 -1.90 -0.15 0.00 0.04 0.00 0.00 34.50 32.16 3gju s PRO 239 CO 0.41 -1.57 1.45 0.00 0.04 0.00 0.00 177.00 177.33 3gju n ALA 240 N -2.99 0.28 0.00 8.56 0.00 -1.26 -1.47 120.51 123.63 3gju n ALA 240 Ca 0.10 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3gju n ALA 240 Cb 0.52 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.75 3gju n ALA 240 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gju n GLY 241 N 2.91 1.85 0.43 0.00 0.00 -1.26 -3.67 105.19 105.44 3gju n GLY 241 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 3gju n GLY 241 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3gju h TYR 242 N 0.00 -1.08 -0.16 1.61 3.20 -1.59 -1.47 116.97 117.48 3gju h TYR 242 Ca 0.00 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 3gju h TYR 242 Cb 0.00 0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 3gju h TYR 242 CO 0.00 -0.58 -0.31 -1.49 -1.64 0.00 0.00 178.16 174.14 3gju h TRP 243 N -0.91 0.35 -0.23 -3.82 4.06 -1.88 -0.15 115.95 113.37 3gju h TRP 243 Ca -0.06 -0.08 -0.01 0.00 2.06 0.00 0.00 58.89 60.80 3gju h TRP 243 Cb 0.77 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.83 3gju h TRP 243 CO -0.16 0.60 0.10 0.93 -3.56 0.00 0.00 178.44 176.35 3gju h GLU 244 N 0.27 0.34 -0.13 0.49 3.07 -1.82 -1.90 114.58 114.90 3gju h GLU 244 Ca 0.04 -0.06 -0.21 0.00 -0.50 0.00 0.00 59.36 58.63 3gju h GLU 244 Cb 0.69 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 28.55 3gju h GLU 244 CO 0.05 0.37 -0.77 0.87 -1.40 0.00 0.00 179.01 178.13 3gju h LYS 245 N 0.23 0.68 -0.40 2.33 1.57 -0.83 -2.30 116.57 117.85 3gju h LYS 245 Ca 0.08 -0.56 -0.02 0.00 -1.87 0.00 0.00 60.65 58.28 3gju h LYS 245 Cb 0.15 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 3gju h LYS 245 CO -0.01 1.17 0.16 0.82 -0.57 0.00 0.00 179.45 181.02 3gju h ILE 246 N 0.46 1.20 -0.24 1.86 1.08 -1.06 -2.77 117.51 118.04 3gju h ILE 246 Ca -0.05 -0.61 -0.06 0.00 -0.39 0.00 0.00 64.86 63.76 3gju h ILE 246 Cb 1.38 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 35.97 3gju h ILE 246 CO 0.15 0.22 -0.10 1.56 -0.69 0.00 0.00 178.15 179.29 3gju h GLN 247 N 0.50 0.39 -0.80 2.37 4.20 -1.30 -1.69 115.11 118.79 3gju h GLN 247 Ca 0.13 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 3gju h GLN 247 Cb 0.19 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 3gju h GLN 247 CO -0.01 0.50 0.43 0.00 -0.67 0.00 0.00 178.83 179.08 3gju h ALA 248 N 1.53 1.03 -0.27 3.87 0.00 -1.26 -1.50 119.26 122.66 3gju h ALA 248 Ca 0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3gju h ALA 248 Cb 0.41 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3gju h ALA 248 CO 0.02 0.55 0.02 0.28 0.00 0.00 0.00 179.25 180.13 3gju h VAL 249 N 1.12 1.24 -0.35 0.00 2.07 -1.12 -2.62 116.25 116.59 3gju h VAL 249 Ca 0.28 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3gju h VAL 249 Cb 0.05 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3gju h VAL 249 CO -0.04 0.27 0.22 -0.07 0.02 0.00 0.00 177.57 177.97 3gju h LEU 250 N 0.25 0.42 -0.95 2.57 3.38 -1.15 -2.34 115.31 117.48 3gju h LEU 250 Ca 0.08 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.09 3gju h LEU 250 Cb 0.38 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 3gju h LEU 250 CO 0.01 0.33 0.60 0.50 0.09 0.00 0.00 178.44 179.97 3gju h LYS 251 N 0.46 1.03 0.00 1.13 3.64 -1.29 -1.67 116.57 119.86 3gju h LYS 251 Ca 0.13 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3gju h LYS 251 Cb -0.01 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.57 3gju h LYS 251 CO -0.02 0.68 -0.05 -0.22 -2.27 0.00 0.00 179.45 177.57 3gju h LYS 252 N 1.06 0.00 -0.14 1.90 3.64 -1.02 -2.99 116.57 119.01 3gju h LYS 252 Ca 0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 3gju h LYS 252 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3gju h LYS 252 CO -0.20 0.05 0.00 0.66 -2.27 0.00 0.00 179.45 177.69 3gju n TYR 253 N -4.43 0.26 -3.53 1.91 4.01 -0.93 -5.01 117.16 109.45 3gju n TYR 253 Ca -0.03 -0.62 -0.19 0.00 -0.16 0.00 0.00 57.90 56.90 3gju n TYR 253 Cb 0.13 -0.09 0.07 0.00 -0.31 0.00 0.00 39.34 39.14 3gju n TYR 253 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3gju n ASP 254 N -0.33 -1.73 -4.51 7.72 2.03 -0.70 -4.88 116.55 114.14 3gju n ASP 254 Ca 0.09 -0.69 -0.34 0.00 0.52 0.00 0.00 54.79 54.36 3gju n ASP 254 Cb 0.44 -4.75 -0.12 0.00 -0.72 0.00 0.00 41.12 35.98 3gju n ASP 254 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3gju s VAL 255 N -3.47 4.13 0.54 5.18 1.01 -0.79 -4.94 120.40 122.06 3gju s VAL 255 Ca 0.00 -0.27 -0.20 0.00 0.00 0.00 0.00 61.98 61.51 3gju s VAL 255 Cb -0.00 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 3gju s VAL 255 CO 0.76 0.46 1.21 -0.76 0.00 0.00 0.00 175.10 176.77 3gju s LEU 256 N 0.60 3.80 -0.23 3.92 1.43 -0.65 -4.64 118.68 122.90 3gju s LEU 256 Ca -0.01 2.39 -0.03 0.00 -1.03 0.00 0.00 54.13 55.46 3gju s LEU 256 Cb -0.14 -4.45 0.01 0.00 0.03 0.00 0.00 46.19 41.64 3gju s LEU 256 CO 0.02 -1.34 -0.05 -0.22 0.23 0.00 0.00 176.35 174.98 3gju s LEU 257 N -3.66 3.03 -0.32 1.79 2.96 -1.26 -0.72 118.68 120.51 3gju s LEU 257 Ca 0.72 -0.63 -0.09 0.00 -0.22 0.00 0.00 54.13 53.91 3gju s LEU 257 Cb -0.30 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 44.69 3gju s LEU 257 CO 0.35 -0.08 0.14 -0.69 -1.32 0.00 0.00 176.35 174.75 3gju s VAL 258 N 1.41 4.39 -0.41 1.68 1.01 0.15 -0.22 120.40 128.40 3gju s VAL 258 Ca 0.03 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 61.22 3gju s VAL 258 Cb -0.15 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 32.96 3gju s VAL 258 CO -0.04 0.02 0.67 0.00 0.00 0.00 0.00 175.10 175.75 3gju s ALA 259 N 1.57 3.38 -0.70 5.51 0.00 -0.30 -1.85 121.76 129.36 3gju s ALA 259 Ca 0.03 -1.03 -0.25 0.00 0.00 0.00 0.00 51.96 50.72 3gju s ALA 259 Cb -0.17 -3.28 0.05 0.00 0.00 0.00 0.00 23.12 19.72 3gju s ALA 259 CO 0.05 -1.63 1.12 0.34 0.00 0.00 0.00 175.76 175.64 3gju s ASP 260 N 1.94 6.17 -0.36 0.00 -1.08 -0.18 -1.47 116.67 121.70 3gju s ASP 260 Ca 0.25 -0.76 0.07 0.00 -0.52 0.00 0.00 52.55 51.59 3gju s ASP 260 Cb -0.14 -2.49 0.62 0.00 -1.46 0.00 0.00 42.92 39.45 3gju s ASP 260 CO 0.18 -1.62 1.71 -0.62 0.52 0.00 0.00 175.17 175.34 3gju n GLU 261 N 8.48 2.39 -0.32 4.34 1.02 0.30 -4.09 120.64 132.76 3gju n GLU 261 Ca -0.00 -3.08 0.01 0.00 -0.02 0.00 0.00 57.16 54.07 3gju n GLU 261 Cb 0.47 -2.04 0.14 0.00 -0.02 0.00 0.00 31.44 29.99 3gju n GLU 261 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3gju h VAL 262 N 1.32 1.05 0.13 2.62 2.07 -1.82 0.10 116.25 121.74 3gju h VAL 262 Ca 0.39 -0.34 -0.26 0.00 0.82 0.00 0.00 66.70 67.31 3gju h VAL 262 Cb 2.28 -0.03 0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3gju h VAL 262 CO 0.74 0.18 -1.26 0.58 0.02 0.00 0.00 177.57 177.84 3gju h VAL 263 N 1.00 1.18 0.00 2.57 2.07 -1.90 -3.37 116.25 117.80 3gju h VAL 263 Ca 0.38 -2.46 -0.07 0.00 0.82 0.00 0.00 66.70 65.37 3gju h VAL 263 Cb 0.16 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 3gju h VAL 263 CO -0.17 0.72 -0.34 0.71 0.02 0.00 0.00 177.57 178.51 3gju h THR 264 N -0.28 0.52 -3.70 2.57 1.35 -1.83 -3.43 112.91 108.11 3gju h THR 264 Ca -0.26 -1.75 -0.54 0.00 -0.55 0.00 0.00 66.41 63.32 3gju h THR 264 Cb 1.77 2.25 0.10 0.00 -1.73 0.00 0.00 68.15 70.53 3gju h THR 264 CO 0.10 0.30 0.82 0.61 -0.25 0.00 0.00 175.52 177.11 3gju n GLY 265 N 1.18 1.27 2.51 5.82 0.00 0.34 -3.62 105.19 112.69 3gju n GLY 265 Ca 0.02 0.37 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 3gju n GLY 265 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gju n PHE 266 N 1.07 -1.42 0.00 1.61 3.72 -1.26 -4.43 117.46 116.76 3gju n PHE 266 Ca 0.04 0.53 0.00 0.00 -0.05 0.00 0.00 57.45 57.97 3gju n PHE 266 Cb 0.38 -3.31 0.00 0.00 -0.94 0.00 0.00 39.48 35.61 3gju n PHE 266 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gju n GLY 267 N -1.23 0.91 0.32 1.37 0.00 -1.22 -4.95 105.19 100.40 3gju n GLY 267 Ca -0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.06 3gju n GLY 267 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3gju h ARG 268 N 1.58 0.35 -0.01 1.61 2.43 -1.74 -0.82 114.38 117.79 3gju h ARG 268 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3gju h ARG 268 Cb 0.00 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3gju h ARG 268 CO 0.00 0.23 -0.11 1.28 -1.51 0.00 0.00 179.97 179.86 3gju n LEU 269 N -4.48 0.62 0.00 3.80 4.77 -1.26 -4.52 117.00 115.93 3gju n LEU 269 Ca 0.05 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3gju n LEU 269 Cb 0.22 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3gju n LEU 269 CO 0.35 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3gju n GLY 270 N 1.26 0.75 0.00 -0.72 0.00 -0.31 -3.81 105.19 102.36 3gju n GLY 270 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3gju n GLY 270 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gju n THR 271 N -2.48 0.00 -0.94 2.61 -1.04 -1.26 -4.65 114.28 106.52 3gju n THR 271 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 3gju n THR 271 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 3gju n THR 271 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3gju n PHE 273 N 0.00 -0.16 -0.03 -1.42 3.01 -1.26 -3.38 117.46 114.21 3gju n PHE 273 Ca 0.00 0.65 0.08 0.00 1.01 0.00 0.00 57.45 59.20 3gju n PHE 273 Cb 0.00 -1.32 0.47 0.00 -0.01 0.00 0.00 39.48 38.63 3gju n PHE 273 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3gju h GLY 274 N 0.95 0.55 0.86 1.37 0.00 -1.97 -1.86 103.07 102.97 3gju h GLY 274 Ca -0.22 -0.18 0.03 0.00 0.00 0.00 0.00 47.33 46.96 3gju h GLY 274 CO 0.39 0.15 0.33 1.76 0.00 0.00 0.00 176.54 179.17 3gju h SER 275 N 0.46 0.54 -0.18 0.19 0.02 -1.95 -1.45 113.55 111.17 3gju h SER 275 Ca 0.21 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 3gju h SER 275 Cb 0.25 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3gju h SER 275 CO -0.05 0.38 0.08 -0.78 -1.14 0.00 0.00 176.83 175.31 3gju h ASP 276 N 0.66 0.24 -0.91 3.07 3.58 -1.67 0.16 116.42 121.56 3gju h ASP 276 Ca 0.23 -0.14 0.16 0.00 0.42 0.00 0.00 57.03 57.69 3gju h ASP 276 Cb 0.03 -0.06 -0.10 0.00 1.72 0.00 0.00 39.33 40.92 3gju h ASP 276 CO -0.10 0.32 0.50 -0.74 -2.88 0.00 0.00 179.24 176.33 3gju h HIS 277 N 0.15 0.87 -0.31 0.28 2.76 -0.89 -2.91 115.15 115.10 3gju h HIS 277 Ca 0.06 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 3gju h HIS 277 Cb 0.15 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 28.85 3gju h HIS 277 CO -0.02 0.21 0.00 0.66 -1.30 0.00 0.00 177.93 177.48 3gju n TYR 278 N -4.83 0.41 -2.48 5.26 4.01 -0.59 -4.98 117.16 113.96 3gju n TYR 278 Ca 0.19 -0.35 -0.09 0.00 -0.16 0.00 0.00 57.90 57.49 3gju n TYR 278 Cb 0.48 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.50 3gju n TYR 278 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gju n GLY 279 N 0.78 0.15 3.75 2.72 0.00 -0.32 -4.78 105.19 107.49 3gju n GLY 279 Ca 0.13 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 3gju n GLY 279 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gju s ILE 280 N -2.71 5.08 -0.70 -0.61 1.01 0.43 -4.87 121.20 118.82 3gju s ILE 280 Ca 0.10 1.05 -0.01 0.00 0.00 0.00 0.00 60.65 61.79 3gju s ILE 280 Cb -0.04 -3.85 0.18 0.00 0.01 0.00 0.00 42.46 38.75 3gju s ILE 280 CO 0.12 0.38 0.53 -0.54 0.00 0.00 0.00 174.94 175.42 3gju s LYS 281 N 0.19 2.70 0.49 2.79 1.02 -1.26 -4.42 119.74 121.25 3gju s LYS 281 Ca 0.28 -2.86 -0.04 0.00 0.02 0.00 0.00 55.97 53.36 3gju s LYS 281 Cb -0.16 -3.72 -0.02 0.00 -0.52 0.00 0.00 37.83 33.41 3gju s LYS 281 CO 0.13 -1.21 0.78 -1.25 -0.92 0.00 0.00 175.35 172.88 3gju s PRO 282 N -0.64 3.36 -0.06 -1.68 0.04 -1.26 -4.91 135.00 129.86 3gju s PRO 282 Ca 0.21 0.04 0.15 0.00 0.04 0.00 0.00 61.00 61.44 3gju s PRO 282 Cb -0.15 -2.40 -0.22 0.00 0.04 0.00 0.00 34.50 31.77 3gju s PRO 282 CO -0.07 -0.28 0.55 -0.25 0.04 0.00 0.00 177.00 176.99 3gju n ASP 283 N -2.27 0.65 -3.87 6.66 8.00 0.69 -4.79 116.55 121.62 3gju n ASP 283 Ca 0.01 0.30 -0.12 0.00 0.71 0.00 0.00 54.79 55.69 3gju n ASP 283 Cb 0.56 0.28 -0.14 0.00 -0.02 0.00 0.00 41.12 41.80 3gju n ASP 283 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gju s LEU 284 N -5.85 1.96 -0.11 0.64 1.43 -1.05 -1.14 118.68 114.57 3gju s LEU 284 Ca -0.06 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 3gju s LEU 284 Cb 0.08 0.06 0.02 0.00 0.03 0.00 0.00 46.19 46.37 3gju s LEU 284 CO 0.83 -0.03 -0.13 -0.63 0.23 0.00 0.00 176.35 176.61 3gju s ILE 285 N -0.11 1.39 -0.07 -0.59 1.01 -0.55 -1.15 121.20 121.14 3gju s ILE 285 Ca -0.01 -0.56 -0.19 0.00 0.00 0.00 0.00 60.65 59.88 3gju s ILE 285 Cb -0.01 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 41.12 3gju s ILE 285 CO -0.00 0.42 0.52 -0.89 0.00 0.00 0.00 174.94 175.00 3gju s THR 286 N 1.16 5.08 0.06 2.92 2.01 -0.54 -0.81 115.64 125.52 3gju s THR 286 Ca -0.03 1.07 0.03 0.00 0.31 0.00 0.00 61.69 63.07 3gju s THR 286 Cb -0.14 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 3gju s THR 286 CO -0.04 0.37 -0.10 0.27 -0.69 0.00 0.00 174.62 174.43 3gju s ILE 287 N 0.24 0.77 0.00 1.82 -4.36 -0.41 -0.54 121.20 118.72 3gju s ILE 287 Ca 0.28 -1.25 0.00 0.00 -0.26 0.00 0.00 60.65 59.42 3gju s ILE 287 Cb -0.16 -0.88 0.00 0.00 1.25 0.00 0.00 42.46 42.67 3gju s ILE 287 CO 0.13 -0.38 0.00 0.00 0.24 0.00 0.00 174.94 174.94 3gju n ALA 288 N 1.24 0.00 0.00 2.27 0.00 -1.26 -0.74 120.51 122.02 3gju n ALA 288 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3gju n ALA 288 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3gju n ALA 288 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gju n LYS 289 N 0.00 0.00 0.00 0.00 5.02 -1.26 -1.12 118.16 120.80 3gju n LYS 289 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 3gju n LYS 289 Cb 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 35.03 35.18 3gju n LYS 289 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gju n GLY 290 N 0.00 -0.53 0.31 0.72 0.00 -1.26 -2.36 105.19 102.08 3gju n GLY 290 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.00 3gju n GLY 290 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3gju h LEU 291 N 0.00 0.64 -2.73 0.99 5.85 -1.39 -3.10 115.31 115.57 3gju h LEU 291 Ca 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3gju h LEU 291 Cb 0.07 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3gju h LEU 291 CO 0.00 0.54 0.00 0.35 -0.34 0.00 0.00 178.44 178.99 3gju n THR 292 N -4.39 0.87 -2.68 1.05 -2.24 -0.99 -4.54 114.28 101.35 3gju n THR 292 Ca 0.04 -0.91 -0.11 0.00 -2.27 0.00 0.00 64.05 60.80 3gju n THR 292 Cb 0.11 0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 68.90 3gju n THR 292 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3gju n SER 293 N -0.43 -2.84 -0.12 3.42 7.64 -1.07 -1.33 113.62 118.87 3gju n SER 293 Ca 0.00 0.15 -0.02 0.00 1.01 0.00 0.00 58.87 60.01 3gju n SER 293 Cb 0.24 -2.45 -0.01 0.00 -1.01 0.00 0.00 64.21 60.98 3gju n SER 293 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gju n ALA 294 N -2.59 -0.02 0.24 -0.43 0.00 -1.08 -4.09 120.51 112.53 3gju n ALA 294 Ca -0.07 0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.49 3gju n ALA 294 Cb 0.56 -1.13 0.60 0.00 0.00 0.00 0.00 19.45 19.48 3gju n ALA 294 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3gju h TYR 295 N 0.00 0.00 -3.02 0.00 -1.99 -1.54 -3.42 116.97 107.00 3gju h TYR 295 Ca -0.03 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.59 3gju h TYR 295 Cb 0.74 0.00 -0.20 0.00 2.00 0.00 0.00 36.73 39.28 3gju h TYR 295 CO 0.45 0.18 -0.25 0.00 -0.00 0.00 0.00 178.16 178.54 3gju s ALA 296 N -4.22 -0.82 0.20 3.88 0.00 -1.26 -5.07 121.76 114.47 3gju s ALA 296 Ca -0.03 0.33 -0.30 0.00 0.00 0.00 0.00 51.96 51.96 3gju s ALA 296 Cb 0.14 0.11 -0.08 0.00 0.00 0.00 0.00 23.12 23.28 3gju s ALA 296 CO 0.63 -0.29 1.23 -1.25 0.00 0.00 0.00 175.76 176.09 3gju s PRO 297 N -1.48 4.46 -0.28 0.00 0.04 -1.26 -4.77 135.00 131.71 3gju s PRO 297 Ca -0.12 1.94 -0.25 0.00 0.04 0.00 0.00 61.00 62.61 3gju s PRO 297 Cb -0.04 -3.21 0.10 0.00 0.04 0.00 0.00 34.50 31.38 3gju s PRO 297 CO 0.04 -0.12 0.89 -1.17 0.04 0.00 0.00 177.00 176.67 3gju s LEU 298 N -0.37 -0.59 0.24 -3.56 2.96 -0.98 -4.75 118.68 111.62 3gju s LEU 298 Ca 0.53 1.14 0.03 0.00 -0.22 0.00 0.00 54.13 55.61 3gju s LEU 298 Cb -0.34 2.15 -0.05 0.00 0.50 0.00 0.00 46.19 48.45 3gju s LEU 298 CO 0.38 -0.20 0.03 -0.94 -1.32 0.00 0.00 176.35 174.31 3gju s SER 299 N 0.32 1.66 0.03 3.68 1.04 -0.20 -4.18 113.70 116.05 3gju s SER 299 Ca 0.01 -1.27 -0.12 0.00 0.48 0.00 0.00 55.95 55.06 3gju s SER 299 Cb -0.05 0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.13 3gju s SER 299 CO -0.03 -0.58 0.25 -0.83 0.98 0.00 0.00 173.24 173.02 3gju s GLY 300 N -3.31 -0.05 -0.20 7.32 0.00 0.08 -1.16 107.32 110.00 3gju s GLY 300 Ca 0.31 -0.07 0.01 0.00 0.00 0.00 0.00 44.72 44.97 3gju s GLY 300 CO 0.10 -0.26 -0.16 0.14 0.00 0.00 0.00 173.10 172.92 3gju s VAL 301 N -2.24 2.26 -0.16 1.40 1.01 -0.16 -1.28 120.40 121.22 3gju s VAL 301 Ca -0.07 -1.01 -0.15 0.00 0.00 0.00 0.00 61.98 60.74 3gju s VAL 301 Cb -0.02 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3gju s VAL 301 CO -0.02 0.42 0.36 -0.63 0.00 0.00 0.00 175.10 175.23 3gju s ILE 302 N 1.28 5.25 -0.18 2.22 1.01 0.01 -1.41 121.20 129.39 3gju s ILE 302 Ca 0.03 0.68 -0.03 0.00 0.00 0.00 0.00 60.65 61.33 3gju s ILE 302 Cb -0.14 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 3gju s ILE 302 CO -0.10 0.34 -0.06 -0.69 0.00 0.00 0.00 174.94 174.43 3gju s VAL 303 N 0.72 3.50 0.49 2.92 1.01 0.62 -1.48 120.40 128.18 3gju s VAL 303 Ca 0.19 -0.48 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 3gju s VAL 303 Cb -0.14 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.63 3gju s VAL 303 CO 0.06 0.47 1.26 0.00 0.00 0.00 0.00 175.10 176.90 3gju s ALA 304 N 0.81 2.95 0.37 5.51 0.00 -0.29 -0.97 121.76 130.14 3gju s ALA 304 Ca -0.02 1.14 0.06 0.00 0.00 0.00 0.00 51.96 53.14 3gju s ALA 304 Cb -0.15 -3.47 0.72 0.00 0.00 0.00 0.00 23.12 20.22 3gju s ALA 304 CO 0.01 -0.98 1.95 0.22 0.00 0.00 0.00 175.76 176.97 3gju h ASP 305 N 1.88 0.47 -0.68 0.00 3.58 -0.90 0.11 116.42 120.87 3gju h ASP 305 Ca -0.50 -0.06 -0.07 0.00 0.42 0.00 0.00 57.03 56.82 3gju h ASP 305 Cb 1.27 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 42.17 3gju h ASP 305 CO 0.59 0.46 0.16 0.03 -2.88 0.00 0.00 179.24 177.60 3gju h ARG 306 N 0.51 1.11 -0.27 0.28 -0.00 -1.91 0.16 114.38 114.26 3gju h ARG 306 Ca 0.12 -0.27 -0.04 0.00 -0.50 0.00 0.00 59.98 59.29 3gju h ARG 306 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 29.97 29.99 3gju h ARG 306 CO -0.01 0.99 0.00 0.28 0.00 0.00 0.00 179.97 181.23 3gju h VAL 307 N 1.05 1.26 -0.77 2.04 2.07 -1.68 -3.17 116.25 117.05 3gju h VAL 307 Ca 0.22 -0.92 0.14 0.00 0.82 0.00 0.00 66.70 66.96 3gju h VAL 307 Cb 0.38 1.33 -0.09 0.00 -1.52 0.00 0.00 31.29 31.39 3gju h VAL 307 CO 0.00 0.29 0.33 -0.25 0.02 0.00 0.00 177.57 177.96 3gju h TRP 308 N 0.25 0.56 -0.21 1.57 2.91 -0.28 -1.64 115.95 119.11 3gju h TRP 308 Ca 0.08 0.04 -0.06 0.00 1.13 0.00 0.00 58.89 60.07 3gju h TRP 308 Cb 0.42 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 28.93 3gju h TRP 308 CO 0.04 0.09 -0.15 1.96 -1.03 0.00 0.00 178.44 179.34 3gju h GLN 309 N 0.48 0.36 -0.41 2.65 1.08 -0.95 -0.59 115.11 117.73 3gju h GLN 309 Ca 0.42 -0.10 -0.12 0.00 -1.45 0.00 0.00 58.65 57.40 3gju h GLN 309 Cb 0.63 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 3gju h GLN 309 CO -0.39 0.51 -0.22 0.28 -0.95 0.00 0.00 178.83 178.05 3gju h VAL 310 N 0.33 1.28 -0.92 -0.54 2.07 -1.34 -2.25 116.25 114.87 3gju h VAL 310 Ca 0.06 -1.37 0.01 0.00 0.82 0.00 0.00 66.70 66.23 3gju h VAL 310 Cb 0.47 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 3gju h VAL 310 CO 0.03 0.46 0.61 -0.07 0.02 0.00 0.00 177.57 178.62 3gju h LEU 311 N 0.68 1.05 -0.67 2.57 3.38 -0.52 -0.79 115.31 121.00 3gju h LEU 311 Ca 0.09 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3gju h LEU 311 Cb 0.79 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3gju h LEU 311 CO 0.06 0.75 0.33 0.58 0.09 0.00 0.00 178.44 180.25 3gju h VAL 312 N 1.23 1.23 -0.58 1.22 2.07 -1.01 -0.70 116.25 119.71 3gju h VAL 312 Ca 0.34 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3gju h VAL 312 Cb -0.11 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 3gju h VAL 312 CO -0.08 0.26 0.30 1.56 0.02 0.00 0.00 177.57 179.63 3gju h GLN 313 N 0.93 0.80 -0.25 1.57 4.20 -0.79 -1.01 115.11 120.57 3gju h GLN 313 Ca 0.23 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 3gju h GLN 313 Cb 0.12 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3gju h GLN 313 CO -0.03 0.60 0.08 0.78 -0.67 0.00 0.00 178.83 179.59 3gju h GLY 314 N 0.88 0.41 1.47 3.46 0.00 -0.47 -2.79 103.07 106.05 3gju h GLY 314 Ca 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 3gju h GLY 314 CO -0.03 0.23 0.28 1.48 0.00 0.00 0.00 176.54 178.49 3gju h SER 315 N 0.24 0.62 0.37 0.19 4.64 -0.34 0.18 113.55 119.44 3gju h SER 315 Ca 0.08 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 3gju h SER 315 Cb 0.23 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3gju h SER 315 CO -0.00 0.50 -0.15 0.44 -0.87 0.00 0.00 176.83 176.74 3gju h ASP 316 N 0.70 0.00 0.21 4.97 3.32 -0.96 0.15 116.42 124.81 3gju h ASP 316 Ca 0.18 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.89 3gju h ASP 316 Cb 0.02 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 3gju h ASP 316 CO -0.03 0.15 -2.04 0.29 -1.72 0.00 0.00 179.24 175.89 3gju n LYS 317 N -3.75 0.69 -0.00 3.56 4.76 -0.76 -4.67 118.16 117.98 3gju n LYS 317 Ca -0.02 0.21 0.05 0.00 -2.87 0.00 0.00 58.31 55.68 3gju n LYS 317 Cb 0.26 -1.68 -0.07 0.00 -1.84 0.00 0.00 35.03 31.70 3gju n LYS 317 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3gju n LEU 318 N -3.17 0.21 0.00 -0.35 4.77 0.55 -5.11 117.00 113.90 3gju n LEU 318 Ca -0.29 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 3gju n LEU 318 Cb 1.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.15 3gju n LEU 318 CO 0.41 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3gju n GLY 319 N 1.62 -1.76 3.75 -0.72 0.00 0.51 -4.97 105.19 103.61 3gju n GLY 319 Ca -0.00 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 3gju n GLY 319 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gju n SER 320 N 0.02 3.31 -4.71 1.61 2.88 -1.26 -4.53 113.62 110.94 3gju n SER 320 Ca 0.00 1.16 -0.42 0.00 -1.33 0.00 0.00 58.87 58.28 3gju n SER 320 Cb 0.00 -1.58 -0.03 0.00 -0.75 0.00 0.00 64.21 61.85 3gju n SER 320 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3gju s LEU 321 N -2.18 4.37 -1.55 2.46 2.96 -1.26 -4.90 118.68 118.57 3gju s LEU 321 Ca 0.58 2.48 -0.09 0.00 -0.22 0.00 0.00 54.13 56.88 3gju s LEU 321 Cb -0.48 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.59 3gju s LEU 321 CO 0.60 -0.77 2.81 0.61 -1.32 0.00 0.00 176.35 178.28 3gju n GLY 322 N 3.69 4.49 3.42 7.98 0.00 -1.26 -4.78 105.19 118.73 3gju n GLY 322 Ca 0.13 -1.64 -0.07 0.00 0.00 0.00 0.00 46.02 44.45 3gju n GLY 322 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gju s HIS 323 N 1.39 -0.93 -0.24 1.61 5.04 -1.26 -5.16 115.29 115.74 3gju s HIS 323 Ca 0.66 1.77 -0.27 0.00 -1.54 0.00 0.00 55.06 55.67 3gju s HIS 323 Cb 0.18 0.47 0.13 0.00 0.04 0.00 0.00 32.58 33.40 3gju s HIS 323 CO -0.07 -0.50 1.07 0.20 -2.34 0.00 0.00 174.74 173.10 3gju s GLY 324 N 2.23 -0.13 -0.08 1.59 0.00 -1.26 -5.14 107.32 104.52 3gju s GLY 324 Ca -0.06 2.53 0.00 0.00 0.00 0.00 0.00 44.72 47.19 3gju s GLY 324 CO -0.15 1.51 -0.06 -0.98 0.00 0.00 0.00 173.10 173.42 3gju s TRP 325 N -0.35 2.98 0.29 1.90 0.52 -1.26 -5.02 118.94 118.00 3gju s TRP 325 Ca 0.02 0.02 0.04 0.00 0.02 0.00 0.00 56.10 56.20 3gju s TRP 325 Cb -0.03 -1.74 0.71 0.00 -1.15 0.00 0.00 33.47 31.25 3gju s TRP 325 CO -0.04 0.32 1.74 1.15 0.02 0.00 0.00 176.95 180.14 3gju h THR 326 N 4.31 0.60 -0.55 2.01 2.02 -2.01 -0.39 112.91 118.91 3gju h THR 326 Ca -0.48 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.51 3gju h THR 326 Cb 1.18 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3gju h THR 326 CO 0.53 0.10 0.00 -1.22 0.37 0.00 0.00 175.52 175.31 3gju n TYR 327 N -4.91 1.48 -1.69 3.16 4.01 -1.26 -4.75 117.16 113.20 3gju n TYR 327 Ca 0.22 -0.56 -0.44 0.00 -0.16 0.00 0.00 57.90 56.96 3gju n TYR 327 Cb 0.59 -0.30 -0.04 0.00 -0.31 0.00 0.00 39.34 39.29 3gju n TYR 327 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3gju n SER 328 N 0.85 3.69 -1.56 7.72 2.88 -0.16 -1.62 113.62 125.41 3gju n SER 328 Ca 0.23 1.03 -0.15 0.00 -1.33 0.00 0.00 58.87 58.66 3gju n SER 328 Cb 0.89 -1.50 -0.02 0.00 -0.75 0.00 0.00 64.21 62.84 3gju n SER 328 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gju n ALA 329 N 4.75 -0.39 -1.68 -1.46 0.00 -1.26 -4.29 120.51 116.18 3gju n ALA 329 Ca 0.18 0.14 -0.55 0.00 0.00 0.00 0.00 53.44 53.21 3gju n ALA 329 Cb 0.33 -1.68 -0.07 0.00 0.00 0.00 0.00 19.45 18.04 3gju n ALA 329 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3gju n HIS 330 N -3.72 1.94 -0.33 0.00 -0.00 -0.64 -4.71 115.22 107.77 3gju n HIS 330 Ca -0.17 0.52 0.05 0.00 0.46 0.00 0.00 57.72 58.57 3gju n HIS 330 Cb 0.60 -2.44 0.20 0.00 -0.12 0.00 0.00 29.99 28.22 3gju n HIS 330 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3gju h PRO 331 N 6.68 0.88 0.00 1.57 0.11 -1.85 -0.81 132.00 138.58 3gju h PRO 331 Ca -0.47 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.50 3gju h PRO 331 Cb 1.32 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3gju h PRO 331 CO 0.91 0.58 -0.40 -0.84 -0.21 0.00 0.00 178.00 178.05 3gju h ILE 332 N 0.91 1.05 -0.02 4.15 3.07 -1.84 -1.23 117.51 123.60 3gju h ILE 332 Ca 0.44 -1.50 -0.07 0.00 1.55 0.00 0.00 64.86 65.28 3gju h ILE 332 Cb 0.39 1.87 0.01 0.00 -0.27 0.00 0.00 36.82 38.82 3gju h ILE 332 CO -0.25 0.39 -0.28 0.00 -1.05 0.00 0.00 178.15 176.97 3gju h VAL 334 N -0.39 1.20 -0.68 0.00 -1.51 -1.26 -1.84 116.25 111.78 3gju h VAL 334 Ca -0.03 -0.77 0.03 0.00 -1.23 0.00 0.00 66.70 64.71 3gju h VAL 334 Cb 0.99 0.81 -0.04 0.00 -2.13 0.00 0.00 31.29 30.91 3gju h VAL 334 CO 0.06 0.28 0.42 0.00 -1.23 0.00 0.00 177.57 177.09 3gju h ALA 335 N 1.45 0.89 -0.93 5.19 0.00 -1.22 -0.00 119.26 124.63 3gju h ALA 335 Ca 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3gju h ALA 335 Cb 0.29 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3gju h ALA 335 CO 0.00 0.17 0.55 0.00 0.00 0.00 0.00 179.25 179.97 3gju h ALA 336 N 1.30 1.18 -0.57 0.00 0.00 -1.09 -2.49 119.26 117.59 3gju h ALA 336 Ca 0.28 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3gju h ALA 336 Cb 0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3gju h ALA 336 CO -0.12 0.65 0.23 0.78 0.00 0.00 0.00 179.25 180.79 3gju h GLY 337 N 1.28 0.91 0.72 0.00 0.00 -0.41 0.51 103.07 106.09 3gju h GLY 337 Ca 0.33 -0.49 0.02 0.00 0.00 0.00 0.00 47.33 47.19 3gju h GLY 337 CO -0.06 0.46 -0.12 -2.08 0.00 0.00 0.00 176.54 174.74 3gju h VAL 338 N 0.78 0.70 -0.65 4.60 2.07 -0.85 -1.09 116.25 121.80 3gju h VAL 338 Ca 0.19 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 3gju h VAL 338 Cb 0.19 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3gju h VAL 338 CO -0.02 0.00 0.36 0.00 0.02 0.00 0.00 177.57 177.93 3gju h ALA 339 N 0.71 0.83 -0.03 1.67 0.00 -1.32 -2.14 119.26 118.99 3gju h ALA 339 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3gju h ALA 339 Cb 0.26 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gju h ALA 339 CO -0.10 0.35 0.02 -0.97 0.00 0.00 0.00 179.25 178.54 3gju h ASN 340 N 0.89 0.04 -0.55 0.00 -1.24 -0.77 -0.32 115.58 113.63 3gju h ASN 340 Ca 0.23 -0.03 -0.06 0.00 0.71 0.00 0.00 56.30 57.16 3gju h ASN 340 Cb 0.04 -0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.05 3gju h ASN 340 CO -0.04 0.05 0.15 -0.07 -1.29 0.00 0.00 177.43 176.23 3gju h LEU 341 N 0.02 0.86 -0.84 0.34 3.38 -1.08 -0.01 115.31 117.99 3gju h LEU 341 Ca 0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3gju h LEU 341 Cb 0.02 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3gju h LEU 341 CO -0.00 0.84 0.49 -0.33 0.09 0.00 0.00 178.44 179.53 3gju h GLU 342 N 0.88 1.15 -0.40 1.13 5.08 -1.25 -2.95 114.58 118.23 3gju h GLU 342 Ca 0.19 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 3gju h GLU 342 Cb 0.32 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3gju h GLU 342 CO -0.00 0.82 -0.13 1.25 -1.00 0.00 0.00 179.01 179.95 3gju h LEU 343 N 1.16 0.71 -0.71 1.33 5.85 -0.14 0.22 115.31 123.72 3gju h LEU 343 Ca 0.30 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.85 3gju h LEU 343 Cb -0.02 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 3gju h LEU 343 CO -0.05 0.86 0.43 0.40 -0.34 0.00 0.00 178.44 179.74 3gju h ILE 344 N 0.65 1.04 -0.22 4.05 2.04 -0.91 -2.57 117.51 121.58 3gju h ILE 344 Ca 0.11 -0.28 -0.10 0.00 1.00 0.00 0.00 64.86 65.59 3gju h ILE 344 Cb 0.59 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3gju h ILE 344 CO 0.04 0.15 -0.24 0.44 0.00 0.00 0.00 178.15 178.53 3gju h ASP 345 N 0.82 0.60 0.00 1.72 3.32 -1.26 -1.79 116.42 119.83 3gju h ASP 345 Ca 0.30 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3gju h ASP 345 Cb 0.10 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3gju h ASP 345 CO -0.14 0.96 0.00 -0.62 -1.72 0.00 0.00 179.24 177.72 3gju n GLU 346 N -4.37 0.17 -2.44 3.56 1.02 0.01 -4.67 120.64 113.92 3gju n GLU 346 Ca -0.05 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.06 3gju n GLU 346 Cb 0.44 -1.27 0.04 0.00 -0.02 0.00 0.00 31.44 30.62 3gju n GLU 346 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3gju n ASP 348 N 0.70 -1.14 0.21 1.62 2.03 -0.92 -5.09 116.55 113.96 3gju n ASP 348 Ca 0.00 -1.80 0.11 0.00 0.52 0.00 0.00 54.79 53.63 3gju n ASP 348 Cb 0.07 0.76 0.15 0.00 -0.72 0.00 0.00 41.12 41.38 3gju n ASP 348 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3gju h LEU 349 N 1.09 0.00 -0.24 -2.67 3.38 -1.61 -2.33 115.31 112.93 3gju h LEU 349 Ca -0.38 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.52 3gju h LEU 349 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3gju h LEU 349 CO -0.14 0.05 -0.13 0.58 0.09 0.00 0.00 178.44 178.90 3gju h VAL 350 N 0.00 1.30 -0.12 1.22 2.07 -1.84 0.31 116.25 119.19 3gju h VAL 350 Ca -0.00 -1.22 0.02 0.00 0.82 0.00 0.00 66.70 66.32 3gju h VAL 350 Cb 1.04 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 3gju h VAL 350 CO 0.01 0.38 0.01 0.74 0.02 0.00 0.00 177.57 178.73 3gju h THR 351 N 0.22 0.94 -0.72 2.57 2.02 -1.82 -2.55 112.91 113.57 3gju h THR 351 Ca 0.05 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 3gju h THR 351 Cb 0.64 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 3gju h THR 351 CO 0.04 0.01 0.29 -1.13 0.37 0.00 0.00 175.52 175.10 3gju h ASN 352 N 0.06 0.97 -0.53 4.18 -1.24 -1.32 -0.38 115.58 117.32 3gju h ASN 352 Ca 0.05 -0.14 0.01 0.00 0.71 0.00 0.00 56.30 56.93 3gju h ASN 352 Cb 0.05 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 38.82 3gju h ASN 352 CO -0.08 0.86 0.35 0.00 -1.29 0.00 0.00 177.43 177.27 3gju h ALA 353 N 1.28 0.68 -0.09 1.57 0.00 -0.72 0.15 119.26 122.12 3gju h ALA 353 Ca 0.24 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3gju h ALA 353 Cb 0.19 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3gju h ALA 353 CO -0.02 0.10 -0.07 0.78 0.00 0.00 0.00 179.25 180.04 3gju h GLY 354 N 0.71 0.23 0.24 0.00 0.00 -1.06 -1.55 103.07 101.64 3gju h GLY 354 Ca 0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 3gju h GLY 354 CO -0.05 0.20 -0.01 0.83 0.00 0.00 0.00 176.54 177.51 3gju h GLU 355 N -0.18 -0.02 0.00 4.80 5.08 -0.93 -1.06 114.58 122.27 3gju h GLU 355 Ca 0.02 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 3gju h GLU 355 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 3gju h GLU 355 CO 0.02 0.70 -0.57 1.15 -1.00 0.00 0.00 179.01 179.31 3gju h THR 356 N -0.78 1.11 -0.29 1.13 2.02 -0.87 -2.43 112.91 112.81 3gju h THR 356 Ca -0.00 -2.20 -0.01 0.00 0.77 0.00 0.00 66.41 64.96 3gju h THR 356 Cb 0.73 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 69.43 3gju h THR 356 CO 0.00 0.56 0.13 1.23 0.37 0.00 0.00 175.52 177.81 3gju h GLY 357 N 2.69 0.46 0.91 2.16 0.00 -1.28 0.80 103.07 108.80 3gju h GLY 357 Ca -0.01 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.11 3gju h GLY 357 CO 0.07 0.22 0.46 0.00 0.00 0.00 0.00 176.54 177.30 3gju h ALA 358 N 0.98 0.94 -0.22 3.60 0.00 -1.10 -0.58 119.26 122.88 3gju h ALA 358 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3gju h ALA 358 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3gju h ALA 358 CO -0.01 0.26 0.14 -0.92 0.00 0.00 0.00 179.25 178.72 3gju h TYR 359 N 0.91 0.27 -0.26 0.00 3.20 -1.23 -1.19 116.97 118.67 3gju h TYR 359 Ca 0.28 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.16 3gju h TYR 359 Cb -0.02 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 3gju h TYR 359 CO -0.03 0.17 0.17 0.35 -1.64 0.00 0.00 178.16 177.17 3gju h PHE 360 N 0.29 0.33 -0.70 -3.82 3.57 -0.56 -0.92 116.94 115.13 3gju h PHE 360 Ca 0.08 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 3gju h PHE 360 Cb -0.03 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 3gju h PHE 360 CO -0.07 0.22 0.18 0.00 -2.23 0.00 0.00 178.31 176.42 3gju h ARG 361 N 0.35 1.12 -0.37 1.11 3.08 -1.01 -0.44 114.38 118.21 3gju h ARG 361 Ca 0.09 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 3gju h ARG 361 Cb -0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3gju h ARG 361 CO -0.02 0.98 0.18 0.00 -1.07 0.00 0.00 179.97 180.04 3gju h ALA 362 N 1.09 0.48 -0.82 0.04 0.00 -0.96 -1.43 119.26 117.65 3gju h ALA 362 Ca 0.22 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3gju h ALA 362 Cb 0.36 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3gju h ALA 362 CO -0.00 0.04 0.41 0.93 0.00 0.00 0.00 179.25 180.62 3gju h GLU 363 N 0.47 1.18 -0.46 0.00 4.39 -0.96 -1.29 114.58 117.90 3gju h GLU 363 Ca 0.13 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 3gju h GLU 363 Cb 0.11 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 3gju h GLU 363 CO -0.02 0.90 0.16 1.25 -1.16 0.00 0.00 179.01 180.14 3gju h LEU 364 N 1.16 0.66 -0.46 1.33 5.85 -0.96 -1.34 115.31 121.56 3gju h LEU 364 Ca 0.28 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3gju h LEU 364 Cb 0.10 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3gju h LEU 364 CO -0.04 0.68 0.28 0.00 -0.34 0.00 0.00 178.44 179.02 3gju h ALA 365 N 1.01 0.58 -0.80 1.25 0.00 -0.98 -1.64 119.26 118.69 3gju h ALA 365 Ca 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3gju h ALA 365 Cb 0.24 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3gju h ALA 365 CO -0.01 -0.03 0.39 0.87 0.00 0.00 0.00 179.25 180.47 3gju h LYS 366 N 0.56 1.14 -0.01 0.00 1.57 -1.13 0.06 116.57 118.75 3gju h LYS 366 Ca 0.18 -0.16 -0.24 0.00 -1.87 0.00 0.00 60.65 58.57 3gju h LYS 366 Cb 0.00 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 32.11 3gju h LYS 366 CO -0.08 0.87 -0.96 0.00 -0.57 0.00 0.00 179.45 178.71 3gju h ALA 367 N 1.30 0.29 0.00 3.86 0.00 -0.73 -3.40 119.26 120.57 3gju h ALA 367 Ca 0.28 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3gju h ALA 367 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3gju h ALA 367 CO -0.04 0.76 -0.05 1.33 0.00 0.00 0.00 179.25 181.26 3gju n VAL 368 N -3.79 0.00 0.22 0.00 0.24 -0.66 -4.83 118.33 109.51 3gju n VAL 368 Ca -0.08 -0.21 0.12 0.00 -2.04 0.00 0.00 64.34 62.12 3gju n VAL 368 Cb 0.84 0.92 0.70 0.00 -1.47 0.00 0.00 33.84 34.83 3gju n VAL 368 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3gju h GLY 369 N 0.00 0.00 1.74 7.63 0.00 -1.07 -1.29 103.07 110.09 3gju h GLY 369 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gju h GLY 369 CO 0.00 0.00 -0.03 0.61 0.00 0.00 0.00 176.54 177.12 3gju n GLY 370 N -1.52 -1.38 3.77 4.60 0.00 -1.26 -4.86 105.19 104.53 3gju n GLY 370 Ca -0.01 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 3gju n GLY 370 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gju s HIS 371 N -2.83 3.04 -0.20 1.61 2.46 -0.49 -4.90 115.29 113.99 3gju s HIS 371 Ca 0.20 1.50 0.28 0.00 0.47 0.00 0.00 55.06 57.50 3gju s HIS 371 Cb 0.19 -3.52 1.23 0.00 -0.13 0.00 0.00 32.58 30.36 3gju s HIS 371 CO 0.51 -1.57 1.83 1.57 -2.47 0.00 0.00 174.74 174.61 3gju h LYS 372 N 2.89 0.00 -0.47 2.88 2.10 -1.91 -1.78 116.57 120.29 3gju h LYS 372 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 3gju h LYS 372 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 3gju h LYS 372 CO 0.63 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 178.17 3gju n ASN 373 N -2.52 3.26 -4.41 7.07 4.13 -1.26 -4.21 115.26 117.32 3gju n ASN 373 Ca 0.01 -1.99 -0.44 0.00 1.68 0.00 0.00 54.58 53.84 3gju n ASN 373 Cb 0.20 -0.31 -0.08 0.00 -1.54 0.00 0.00 39.78 38.06 3gju n ASN 373 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3gju s VAL 374 N -1.01 5.16 0.16 2.41 1.01 -0.67 -0.84 120.40 126.63 3gju s VAL 374 Ca 0.32 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 3gju s VAL 374 Cb 0.17 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 3gju s VAL 374 CO 0.22 -0.60 1.42 1.23 0.00 0.00 0.00 175.10 177.37 3gju h GLY 375 N 8.94 0.65 -5.03 4.51 0.00 -0.97 -3.45 103.07 107.73 3gju h GLY 375 Ca -0.28 -0.85 -0.03 0.00 0.00 0.00 0.00 47.33 46.17 3gju h GLY 375 CO 0.88 0.76 0.15 1.85 0.00 0.00 0.00 176.54 180.18 3gju s GLU 376 N -3.82 0.81 -0.15 4.80 2.12 -1.09 -5.01 118.70 116.35 3gju s GLU 376 Ca -0.08 0.97 -0.02 0.00 0.36 0.00 0.00 54.97 56.21 3gju s GLU 376 Cb 0.10 0.39 -0.02 0.00 0.26 0.00 0.00 34.13 34.86 3gju s GLU 376 CO 0.86 -0.10 -0.10 0.08 -0.54 0.00 0.00 175.26 175.47 3gju s VAL 377 N 0.41 3.29 0.18 3.70 1.01 -1.26 -0.79 120.40 126.93 3gju s VAL 377 Ca -0.00 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 3gju s VAL 377 Cb -0.05 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 3gju s VAL 377 CO -0.00 0.50 0.25 0.00 0.00 0.00 0.00 175.10 175.85 3gju s ARG 378 N 0.54 1.19 0.00 2.72 1.70 -0.56 -5.01 118.95 119.54 3gju s ARG 378 Ca -0.06 -1.31 0.00 0.00 -0.47 0.00 0.00 55.73 53.88 3gju s ARG 378 Cb -0.15 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.58 3gju s ARG 378 CO 0.03 -0.42 0.00 0.41 -1.08 0.00 0.00 175.30 174.24 3gju n GLY 379 N -0.23 -1.69 3.50 3.88 0.00 -1.26 -0.92 105.19 108.47 3gju n GLY 379 Ca -0.04 -1.49 -0.16 0.00 0.00 0.00 0.00 46.02 44.33 3gju n GLY 379 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gju s ASP 380 N -0.64 -0.62 0.00 1.61 2.15 -1.26 -4.85 116.67 113.06 3gju s ASP 380 Ca 0.00 0.80 0.00 0.00 0.43 0.00 0.00 52.55 53.78 3gju s ASP 380 Cb 0.00 0.71 0.00 0.00 -0.30 0.00 0.00 42.92 43.33 3gju s ASP 380 CO 0.00 -0.50 0.00 0.61 -0.17 0.00 0.00 175.17 175.11 3gju n GLY 381 N 1.39 -0.08 1.71 2.66 0.00 -1.25 -4.74 105.19 104.88 3gju n GLY 381 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3gju n GLY 381 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gju n LEU 383 N 0.00 -3.46 -3.78 0.99 4.77 -1.26 -4.15 117.00 110.12 3gju n LEU 383 Ca 0.00 2.34 -0.12 0.00 -0.03 0.00 0.00 56.01 58.20 3gju n LEU 383 Cb 0.00 -2.58 -0.08 0.00 -2.33 0.00 0.00 43.42 38.43 3gju n LEU 383 CO 0.00 -0.27 -0.01 0.00 -1.33 0.00 0.00 177.39 175.78 3gju s ALA 384 N -1.93 -0.65 0.00 -1.18 0.00 -0.73 -4.30 121.76 112.97 3gju s ALA 384 Ca 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 51.96 51.98 3gju s ALA 384 Cb 0.00 0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.33 3gju s ALA 384 CO 0.00 -0.33 0.10 0.00 0.00 0.00 0.00 175.76 175.53 3gju s ALA 385 N -2.01 -0.24 -0.21 0.00 0.00 -0.09 -0.20 121.76 119.01 3gju s ALA 385 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.70 3gju s ALA 385 Cb -0.03 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.20 3gju s ALA 385 CO -0.00 -0.18 -0.14 0.08 0.00 0.00 0.00 175.76 175.51 3gju s VAL 386 N -1.26 2.35 -0.19 0.00 1.01 -0.02 -1.49 120.40 120.79 3gju s VAL 386 Ca -0.14 -1.05 -0.08 0.00 0.00 0.00 0.00 61.98 60.72 3gju s VAL 386 Cb -0.07 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 3gju s VAL 386 CO 0.01 0.36 0.07 -0.70 0.00 0.00 0.00 175.10 174.84 3gju s GLU 387 N 1.28 3.94 -0.04 2.72 2.12 0.03 -0.42 118.70 128.33 3gju s GLU 387 Ca 0.02 -0.36 -0.07 0.00 0.36 0.00 0.00 54.97 54.92 3gju s GLU 387 Cb -0.15 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 3gju s GLU 387 CO -0.09 0.21 0.23 -0.06 -0.54 0.00 0.00 175.26 175.01 3gju s PHE 388 N 0.54 3.59 0.09 5.30 0.08 0.13 -0.33 117.98 127.39 3gju s PHE 388 Ca 0.03 0.56 0.02 0.00 0.12 0.00 0.00 56.93 57.67 3gju s PHE 388 Cb -0.13 -1.98 -0.04 0.00 -0.57 0.00 0.00 43.02 40.31 3gju s PHE 388 CO 0.01 0.66 -0.07 0.14 -0.10 0.00 0.00 175.22 175.86 3gju s VAL 389 N -1.19 0.71 0.08 -0.44 -7.23 -0.02 -4.63 120.40 107.68 3gju s VAL 389 Ca 0.23 -1.74 -0.02 0.00 -1.81 0.00 0.00 61.98 58.64 3gju s VAL 389 Cb -0.13 -1.44 -0.27 0.00 0.56 0.00 0.00 36.38 35.10 3gju s VAL 389 CO 0.12 -0.74 1.16 0.00 -0.31 0.00 0.00 175.10 175.34 3gju h ALA 390 N 3.33 0.16 -3.23 1.32 0.00 -0.65 -3.40 119.26 116.79 3gju h ALA 390 Ca -0.36 -0.90 -0.31 0.00 0.00 0.00 0.00 54.91 53.34 3gju h ALA 390 Cb 1.18 -0.02 -0.36 0.00 0.00 0.00 0.00 17.79 18.59 3gju h ALA 390 CO 0.59 1.04 -0.68 0.34 0.00 0.00 0.00 179.25 180.54 3gju s ASP 391 N -7.04 0.68 -0.06 0.00 -1.08 -0.95 -4.92 116.67 103.30 3gju s ASP 391 Ca -0.03 0.21 -0.25 0.00 -0.52 0.00 0.00 52.55 51.96 3gju s ASP 391 Cb 0.08 0.09 -0.24 0.00 -1.46 0.00 0.00 42.92 41.38 3gju s ASP 391 CO 0.87 -0.22 1.01 0.11 0.52 0.00 0.00 175.17 177.45 3gju h LYS 392 N 8.11 0.15 -0.56 4.34 1.57 -1.86 -0.79 116.57 127.53 3gju h LYS 392 Ca -0.21 -0.16 0.07 0.00 -1.87 0.00 0.00 60.65 58.48 3gju h LYS 392 Cb 1.12 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 33.42 3gju h LYS 392 CO 0.22 0.92 0.26 -0.44 -0.57 0.00 0.00 179.45 179.84 3gju h ASP 393 N -0.55 0.33 -0.50 0.86 3.32 -1.97 -2.55 116.42 115.35 3gju h ASP 393 Ca -0.03 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3gju h ASP 393 Cb 1.00 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3gju h ASP 393 CO 0.04 0.22 0.00 0.47 -1.72 0.00 0.00 179.24 178.25 3gju n ASP 394 N -4.92 3.54 -3.85 6.45 8.00 -1.25 -4.98 116.55 119.54 3gju n ASP 394 Ca 0.07 -1.99 -0.35 0.00 0.71 0.00 0.00 54.79 53.23 3gju n ASP 394 Cb 0.19 -0.33 0.02 0.00 -0.02 0.00 0.00 41.12 40.99 3gju n ASP 394 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3gju n ARG 395 N 1.49 -1.27 -3.37 -1.24 0.63 -0.79 -4.95 116.66 107.17 3gju n ARG 395 Ca 0.21 0.34 -0.39 0.00 -0.92 0.00 0.00 57.85 57.09 3gju n ARG 395 Cb 0.60 -3.75 -0.08 0.00 0.45 0.00 0.00 32.46 29.68 3gju n ARG 395 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3gju s VAL 396 N -3.59 5.18 0.34 5.15 1.01 -0.37 -4.96 120.40 123.16 3gju s VAL 396 Ca 0.39 0.71 -0.15 0.00 0.00 0.00 0.00 61.98 62.94 3gju s VAL 396 Cb -0.17 -3.74 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 3gju s VAL 396 CO 0.90 0.22 0.76 -0.36 0.00 0.00 0.00 175.10 176.62 3gju s PHE 397 N 1.55 3.38 0.57 5.22 0.08 -1.26 0.05 117.98 127.57 3gju s PHE 397 Ca 0.19 1.24 -0.19 0.00 0.12 0.00 0.00 56.93 58.28 3gju s PHE 397 Cb -0.15 -2.56 -0.04 0.00 -0.57 0.00 0.00 43.02 39.70 3gju s PHE 397 CO 0.08 0.05 1.20 -0.06 -0.10 0.00 0.00 175.22 176.39 3gju s PHE 398 N -2.05 2.47 0.30 0.36 0.08 -1.26 -4.65 117.98 113.23 3gju s PHE 398 Ca 0.55 1.52 -0.30 0.00 0.12 0.00 0.00 56.93 58.82 3gju s PHE 398 Cb -0.10 -3.45 -0.11 0.00 -0.57 0.00 0.00 43.02 38.79 3gju s PHE 398 CO 0.18 -2.08 1.57 0.34 -0.10 0.00 0.00 175.22 175.13 3gju s ASP 399 N -1.59 6.39 0.53 1.36 2.15 -1.26 -4.91 116.67 119.34 3gju s ASP 399 Ca 0.76 2.94 0.19 0.00 0.43 0.00 0.00 52.55 56.87 3gju s ASP 399 Cb -0.29 -2.64 1.32 0.00 -0.30 0.00 0.00 42.92 41.01 3gju s ASP 399 CO 0.32 -0.89 2.11 0.00 -0.17 0.00 0.00 175.17 176.54 3gju h ALA 400 N 4.64 2.14 0.00 3.66 0.00 -1.99 -1.98 119.26 125.72 3gju h ALA 400 Ca -0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3gju h ALA 400 Cb 1.22 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gju h ALA 400 CO 0.77 -0.20 -0.00 0.66 0.00 0.00 0.00 179.25 180.48 3gju h SER 401 N 0.00 0.00 0.92 0.00 4.64 -2.03 -2.15 113.55 114.93 3gju h SER 401 Ca 0.08 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 3gju h SER 401 Cb 0.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3gju h SER 401 CO -0.00 0.00 -0.06 -0.61 -0.87 0.00 0.00 176.83 175.30 3gju h GLN 402 N 0.00 0.00 -6.37 4.77 4.15 -1.74 -3.47 115.11 112.45 3gju h GLN 402 Ca -0.00 0.00 -0.48 0.00 0.77 0.00 0.00 58.65 58.94 3gju h GLN 402 Cb 0.01 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.65 3gju h GLN 402 CO 0.00 0.06 -0.83 1.63 -1.93 0.00 0.00 178.83 177.76 3gju n LYS 403 N -3.19 -4.33 -0.10 1.69 5.02 -0.81 -4.87 118.16 111.56 3gju n LYS 403 Ca 0.00 0.51 -0.08 0.00 -2.02 0.00 0.00 58.31 56.72 3gju n LYS 403 Cb 0.32 -5.06 -0.01 0.00 -0.02 0.00 0.00 35.03 30.26 3gju n LYS 403 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3gju h ILE 404 N -1.86 1.08 0.15 -0.18 1.08 -1.87 0.25 117.51 116.15 3gju h ILE 404 Ca -0.61 -0.16 0.02 0.00 -0.39 0.00 0.00 64.86 63.72 3gju h ILE 404 Cb 1.37 0.58 -0.04 0.00 -3.07 0.00 0.00 36.82 35.66 3gju h ILE 404 CO 0.65 0.08 -0.31 1.23 -0.69 0.00 0.00 178.15 179.11 3gju h GLY 405 N 0.47 -0.60 0.53 5.37 0.00 -1.86 -1.47 103.07 105.50 3gju h GLY 405 Ca 0.13 0.36 0.12 0.00 0.00 0.00 0.00 47.33 47.94 3gju h GLY 405 CO -0.03 -0.25 0.61 -2.55 0.00 0.00 0.00 176.54 174.32 3gju h PRO 406 N -0.55 0.88 -0.66 4.80 0.11 -1.88 -1.55 132.00 133.15 3gju h PRO 406 Ca 0.02 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.09 3gju h PRO 406 Cb 0.56 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 31.44 3gju h PRO 406 CO -0.16 0.58 0.43 1.96 -0.21 0.00 0.00 178.00 180.61 3gju h GLN 407 N 0.91 0.85 -0.35 1.05 4.20 -0.22 0.33 115.11 121.88 3gju h GLN 407 Ca 0.47 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 59.04 3gju h GLN 407 Cb 0.53 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 3gju h GLN 407 CO -0.24 0.56 -0.13 0.28 -0.67 0.00 0.00 178.83 178.64 3gju h VAL 408 N 0.87 1.28 -0.74 -0.54 2.07 -0.65 -1.47 116.25 117.08 3gju h VAL 408 Ca 0.25 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 3gju h VAL 408 Cb -0.07 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3gju h VAL 408 CO -0.07 0.40 0.33 0.00 0.02 0.00 0.00 177.57 178.26 3gju h ALA 409 N 0.80 1.19 -0.21 1.67 0.00 -1.11 -1.02 119.26 120.59 3gju h ALA 409 Ca 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3gju h ALA 409 Cb 0.65 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3gju h ALA 409 CO 0.04 0.60 0.04 1.15 0.00 0.00 0.00 179.25 181.08 3gju h THR 410 N 1.05 1.22 -0.72 0.00 2.02 -0.84 -0.49 112.91 115.17 3gju h THR 410 Ca 0.25 -0.73 0.04 0.00 0.77 0.00 0.00 66.41 66.74 3gju h THR 410 Cb 0.14 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 3gju h THR 410 CO -0.03 0.23 0.44 0.00 0.37 0.00 0.00 175.52 176.53 3gju h ALA 411 N 0.84 0.94 -0.44 6.16 0.00 -1.06 -1.27 119.26 124.43 3gju h ALA 411 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3gju h ALA 411 Cb 0.31 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3gju h ALA 411 CO 0.00 0.21 0.21 1.25 0.00 0.00 0.00 179.25 180.92 3gju h LEU 412 N 0.86 0.57 -0.81 0.00 5.85 -1.03 -2.59 115.31 118.16 3gju h LEU 412 Ca 0.29 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3gju h LEU 412 Cb 0.05 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3gju h LEU 412 CO -0.12 0.54 0.47 0.00 -0.34 0.00 0.00 178.44 178.99 3gju h ALA 413 N 1.05 1.04 0.00 1.25 0.00 -0.72 -1.32 119.26 120.56 3gju h ALA 413 Ca 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3gju h ALA 413 Cb 0.12 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3gju h ALA 413 CO -0.02 0.52 -0.07 0.00 0.00 0.00 0.00 179.25 179.68 3gju h ALA 414 N 1.25 1.50 -0.17 0.00 0.00 -0.96 -1.05 119.26 119.83 3gju h ALA 414 Ca 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3gju h ALA 414 Cb -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3gju h ALA 414 CO -0.05 0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.16 3gju n SER 415 N -3.91 1.72 0.00 0.00 3.41 -0.53 -4.92 113.62 109.39 3gju n SER 415 Ca -0.02 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 3gju n SER 415 Cb 0.17 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3gju n SER 415 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gju n GLY 416 N 1.14 1.02 3.06 5.00 0.00 -0.40 -5.05 105.19 109.96 3gju n GLY 416 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 3gju n GLY 416 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gju s VAL 417 N -2.00 1.32 -0.33 1.61 1.01 -0.98 -0.62 120.40 120.40 3gju s VAL 417 Ca 0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.26 3gju s VAL 417 Cb 0.00 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 3gju s VAL 417 CO 0.00 0.40 0.25 -0.63 0.00 0.00 0.00 175.10 175.12 3gju s ILE 418 N 0.61 5.27 0.48 2.22 1.01 0.39 -2.40 121.20 128.78 3gju s ILE 418 Ca -0.15 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.41 3gju s ILE 418 Cb -0.16 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 3gju s ILE 418 CO 0.05 0.02 0.05 -0.83 0.00 0.00 0.00 174.94 174.23 3gju s GLY 419 N 1.73 2.91 -0.07 6.18 0.00 -1.26 -1.10 107.32 115.70 3gju s GLY 419 Ca 0.07 -0.62 0.04 0.00 0.00 0.00 0.00 44.72 44.22 3gju s GLY 419 CO 0.11 -2.06 -0.21 -1.60 0.00 0.00 0.00 173.10 169.33 3gju s ARG 420 N -3.81 2.48 1.01 2.90 3.52 -0.50 -4.94 118.95 119.61 3gju s ARG 420 Ca 0.11 -0.78 -0.17 0.00 -0.13 0.00 0.00 55.73 54.77 3gju s ARG 420 Cb 0.01 -2.00 0.22 0.00 -1.56 0.00 0.00 34.95 31.63 3gju s ARG 420 CO 0.07 0.23 1.31 0.00 -0.81 0.00 0.00 175.30 176.10 3gju s ALA 421 N 0.17 1.99 0.18 6.12 0.00 -1.26 -0.30 121.76 128.67 3gju s ALA 421 Ca -0.11 -1.22 0.07 0.00 0.00 0.00 0.00 51.96 50.71 3gju s ALA 421 Cb -0.15 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 3gju s ALA 421 CO 0.05 -2.65 0.01 -1.25 0.00 0.00 0.00 175.76 171.92 3gju s PRO 423 N -5.86 2.43 -1.19 0.00 0.04 -1.26 -4.92 135.00 124.24 3gju s PRO 423 Ca 0.75 -1.12 -0.04 0.00 0.04 0.00 0.00 61.00 60.62 3gju s PRO 423 Cb -0.04 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.15 3gju s PRO 423 CO 0.54 0.45 1.01 1.04 0.04 0.00 0.00 177.00 180.08 3gju n GLN 424 N -0.23 -6.78 0.00 4.56 6.02 -1.26 -4.86 117.38 114.82 3gju n GLN 424 Ca -0.09 0.78 0.00 0.00 -0.01 0.00 0.00 57.00 57.68 3gju n GLN 424 Cb 0.56 -5.63 0.00 0.00 1.02 0.00 0.00 30.24 26.18 3gju n GLN 424 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gju n GLY 425 N -1.51 -0.83 3.14 1.08 0.00 -1.26 -5.05 105.19 100.76 3gju n GLY 425 Ca -0.13 -1.21 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 3gju n GLY 425 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gju s ASP 426 N 0.00 5.45 -0.09 1.61 1.01 -1.26 -4.71 116.67 118.68 3gju s ASP 426 Ca 0.00 -2.49 -0.04 0.00 0.71 0.00 0.00 52.55 50.73 3gju s ASP 426 Cb 0.00 -1.90 0.05 0.00 1.01 0.00 0.00 42.92 42.07 3gju s ASP 426 CO 0.00 -0.48 0.18 -0.63 0.21 0.00 0.00 175.17 174.45 3gju s ILE 427 N 0.47 -0.18 -0.32 0.77 1.01 -1.26 -0.69 121.20 121.00 3gju s ILE 427 Ca 0.13 0.26 -0.15 0.00 0.00 0.00 0.00 60.65 60.89 3gju s ILE 427 Cb -0.21 -0.30 -0.02 0.00 0.01 0.00 0.00 42.46 41.94 3gju s ILE 427 CO -0.04 0.11 0.34 -0.22 0.00 0.00 0.00 174.94 175.14 3gju s LEU 428 N 1.79 4.34 0.12 2.97 2.96 0.44 -4.26 118.68 127.04 3gju s LEU 428 Ca -0.03 -0.14 0.05 0.00 -0.22 0.00 0.00 54.13 53.80 3gju s LEU 428 Cb -0.12 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.21 3gju s LEU 428 CO -0.06 -0.29 0.02 -0.83 -1.32 0.00 0.00 176.35 173.87 3gju s GLY 429 N 1.72 1.86 -0.02 7.98 0.00 0.59 -0.84 107.32 118.61 3gju s GLY 429 Ca 0.12 -1.18 0.02 0.00 0.00 0.00 0.00 44.72 43.68 3gju s GLY 429 CO 0.11 -1.17 -0.07 -1.36 0.00 0.00 0.00 173.10 170.62 3gju s PHE 430 N -1.46 0.71 -0.42 1.90 0.08 0.73 -1.41 117.98 118.12 3gju s PHE 430 Ca 0.27 -0.16 0.08 0.00 0.12 0.00 0.00 56.93 57.24 3gju s PHE 430 Cb -0.11 -0.52 0.27 0.00 -0.57 0.00 0.00 43.02 42.09 3gju s PHE 430 CO 0.19 -0.07 0.69 0.00 -0.10 0.00 0.00 175.22 175.93 3gju n ALA 431 N 3.27 1.20 -1.05 5.36 0.00 -0.17 -1.77 120.51 127.36 3gju n ALA 431 Ca -0.17 -2.78 -0.30 0.00 0.00 0.00 0.00 53.44 50.18 3gju n ALA 431 Cb 0.55 -0.98 0.14 0.00 0.00 0.00 0.00 19.45 19.16 3gju n ALA 431 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3gju s PRO 432 N -0.84 1.31 0.58 0.00 0.02 -1.00 -2.42 135.00 132.65 3gju s PRO 432 Ca 0.34 1.09 -0.20 0.00 0.02 0.00 0.00 61.00 62.25 3gju s PRO 432 Cb 0.22 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.91 3gju s PRO 432 CO -0.13 -2.28 1.16 -2.30 -0.33 0.00 0.00 177.00 173.12 3gju n PRO 433 N -3.95 1.22 0.00 5.54 -0.02 -1.26 -4.76 135.00 131.77 3gju n PRO 433 Ca 0.08 0.46 0.07 0.00 -2.02 0.00 0.00 63.50 62.10 3gju n PRO 433 Cb 0.54 -2.37 0.33 0.00 -0.02 0.00 0.00 33.50 31.98 3gju n PRO 433 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3gju n LEU 434 N -1.02 0.00 -0.43 2.45 4.77 0.84 -1.91 117.00 121.70 3gju n LEU 434 Ca 0.13 0.49 0.10 0.00 -0.03 0.00 0.00 56.01 56.70 3gju n LEU 434 Cb 0.46 -0.49 0.40 0.00 -2.33 0.00 0.00 43.42 41.46 3gju n LEU 434 CO 0.50 -0.24 0.78 0.00 -1.33 0.00 0.00 177.39 177.11 3gju n LEU 436 N 0.07 2.66 -4.92 0.00 7.94 -0.80 -4.98 117.00 116.97 3gju n LEU 436 Ca 0.15 1.11 -0.26 0.00 -1.11 0.00 0.00 56.01 55.90 3gju n LEU 436 Cb 0.26 -1.36 0.01 0.00 0.53 0.00 0.00 43.42 42.86 3gju n LEU 436 CO 0.12 -0.59 0.43 0.42 -1.11 0.00 0.00 177.39 176.66 3gju s THR 437 N 0.48 4.46 0.28 1.96 -4.23 -1.26 -4.91 115.64 112.42 3gju s THR 437 Ca 0.77 0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 61.28 3gju s THR 437 Cb -0.74 -3.70 0.28 0.00 1.34 0.00 0.00 72.50 69.67 3gju s THR 437 CO 0.44 -0.65 1.87 0.03 -0.54 0.00 0.00 174.62 175.76 3gju h ARG 438 N 0.18 1.05 -0.64 3.99 3.08 -1.93 -0.37 114.38 119.74 3gju h ARG 438 Ca -0.47 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.45 3gju h ARG 438 Cb 1.23 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 31.01 3gju h ARG 438 CO 0.61 0.70 0.12 0.93 -1.07 0.00 0.00 179.97 181.26 3gju h GLU 439 N 1.08 1.02 -0.34 0.04 3.07 -1.99 -0.13 114.58 117.33 3gju h GLU 439 Ca 0.46 -0.25 -0.15 0.00 -0.50 0.00 0.00 59.36 58.92 3gju h GLU 439 Cb 0.31 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 3gju h GLU 439 CO -0.21 0.93 -0.38 1.96 -1.40 0.00 0.00 179.01 179.91 3gju h GLN 440 N 0.97 0.85 -0.69 2.33 4.20 -1.81 -2.78 115.11 118.17 3gju h GLN 440 Ca 0.20 -0.47 0.11 0.00 0.06 0.00 0.00 58.65 58.55 3gju h GLN 440 Cb 0.39 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.12 3gju h GLN 440 CO 0.01 1.11 0.30 0.00 -0.67 0.00 0.00 178.83 179.58 3gju h ALA 441 N 0.73 0.95 -0.71 3.87 0.00 -0.75 -1.61 119.26 121.74 3gju h ALA 441 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3gju h ALA 441 Cb 0.97 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3gju h ALA 441 CO 0.09 -0.13 0.44 -0.44 0.00 0.00 0.00 179.25 179.21 3gju h ASP 442 N 0.50 0.83 -0.17 0.00 3.32 -0.80 -0.22 116.42 119.88 3gju h ASP 442 Ca 0.35 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.33 3gju h ASP 442 Cb 0.44 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3gju h ASP 442 CO -0.32 0.63 -0.06 0.40 -1.72 0.00 0.00 179.24 178.17 3gju h ILE 443 N 0.97 1.30 -0.68 0.35 2.04 -1.09 -1.18 117.51 119.22 3gju h ILE 443 Ca 0.26 -1.07 0.04 0.00 1.00 0.00 0.00 64.86 65.09 3gju h ILE 443 Cb -0.07 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 3gju h ILE 443 CO -0.05 0.32 0.40 0.58 0.00 0.00 0.00 178.15 179.40 3gju h VAL 444 N 0.04 1.03 -0.25 1.67 2.07 -0.99 -1.34 116.25 118.48 3gju h VAL 444 Ca 0.04 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 3gju h VAL 444 Cb 0.52 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3gju h VAL 444 CO 0.02 0.14 -0.03 0.58 0.02 0.00 0.00 177.57 178.30 3gju h VAL 445 N 0.76 1.27 -0.23 2.57 2.07 -0.95 -0.92 116.25 120.83 3gju h VAL 445 Ca 0.29 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 3gju h VAL 445 Cb 0.11 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3gju h VAL 445 CO -0.15 0.31 0.13 -1.28 0.02 0.00 0.00 177.57 176.60 3gju h SER 446 N 0.22 0.28 -0.35 0.57 0.87 -1.06 -1.08 113.55 113.00 3gju h SER 446 Ca 0.07 -0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 3gju h SER 446 Cb 0.47 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 3gju h SER 446 CO 0.02 0.27 0.00 0.11 -0.53 0.00 0.00 176.83 176.71 3gju h LYS 447 N 0.27 0.72 -0.50 2.24 1.79 -1.21 -1.70 116.57 118.17 3gju h LYS 447 Ca 0.08 -0.18 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 3gju h LYS 447 Cb 0.05 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 3gju h LYS 447 CO -0.01 0.73 0.27 1.15 -1.08 0.00 0.00 179.45 180.50 3gju h THR 448 N 0.68 1.18 -0.71 -0.16 2.02 -0.81 -0.13 112.91 114.97 3gju h THR 448 Ca 0.14 -0.47 0.01 0.00 0.77 0.00 0.00 66.41 66.85 3gju h THR 448 Cb 0.41 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 3gju h THR 448 CO 0.02 0.19 0.47 0.00 0.37 0.00 0.00 175.52 176.57 3gju h ALA 449 N 1.11 0.90 -0.77 6.16 0.00 -0.92 -0.28 119.26 125.46 3gju h ALA 449 Ca 0.18 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3gju h ALA 449 Cb 0.07 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3gju h ALA 449 CO -0.03 0.32 0.50 -0.44 0.00 0.00 0.00 179.25 179.61 3gju h ASP 450 N 0.96 0.89 -0.45 0.00 3.32 -1.09 -0.47 116.42 119.58 3gju h ASP 450 Ca 0.26 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.18 3gju h ASP 450 Cb -0.11 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 3gju h ASP 450 CO -0.06 0.65 -0.12 0.00 -1.72 0.00 0.00 179.24 177.98 3gju h ALA 451 N 1.28 0.62 -0.11 3.45 0.00 -0.37 -1.53 119.26 122.59 3gju h ALA 451 Ca 0.28 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3gju h ALA 451 Cb -0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3gju h ALA 451 CO -0.06 0.52 0.05 0.28 0.00 0.00 0.00 179.25 180.04 3gju h VAL 452 N 0.71 1.13 -0.54 0.00 2.07 -0.90 -2.02 116.25 116.71 3gju h VAL 452 Ca 0.11 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3gju h VAL 452 Cb 0.67 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3gju h VAL 452 CO 0.05 0.12 0.33 0.11 0.02 0.00 0.00 177.57 178.19 3gju h LYS 453 N 0.03 0.63 -0.23 1.57 1.57 -1.01 -2.47 116.57 116.67 3gju h LYS 453 Ca 0.04 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gju h LYS 453 Cb 0.15 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3gju h LYS 453 CO -0.00 0.42 0.14 1.03 -0.57 0.00 0.00 179.45 180.46 3gju h SER 454 N 0.65 0.27 -0.32 0.86 0.87 -1.15 -0.66 113.55 114.07 3gju h SER 454 Ca 0.21 -0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.65 3gju h SER 454 Cb 0.01 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 3gju h SER 454 CO -0.09 0.23 -0.08 0.58 -0.53 0.00 0.00 176.83 176.94 3gju h VAL 455 N 0.29 1.25 0.00 2.23 2.07 -1.15 -3.27 116.25 117.67 3gju h VAL 455 Ca 0.08 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.52 3gju h VAL 455 Cb 0.01 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3gju h VAL 455 CO -0.02 0.37 -1.05 0.49 0.02 0.00 0.00 177.57 177.38 3gju n PHE 456 N -4.19 0.13 1.59 1.57 3.72 -0.95 -5.12 117.46 114.21 3gju n PHE 456 Ca 0.02 0.04 0.14 0.00 -0.05 0.00 0.00 57.45 57.60 3gju n PHE 456 Cb 0.34 -0.29 0.60 0.00 -0.94 0.00 0.00 39.48 39.18 3gju n PHE 456 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71