#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ha3 s GLU 4 N 0.00 3.22 -0.29 1.61 2.56 -1.26 -1.43 118.70 123.11 1ha3 s GLU 4 Ca 0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 54.97 54.22 1ha3 s GLU 4 Cb 0.00 -2.65 -0.04 0.00 2.00 0.00 0.00 34.13 33.44 1ha3 s GLU 4 CO 0.00 0.35 0.25 0.12 -0.56 0.00 0.00 175.26 175.42 1ha3 s PHE 5 N 0.01 3.23 -0.20 5.30 2.19 0.36 -4.84 117.98 124.03 1ha3 s PHE 5 Ca -0.03 0.11 -0.06 0.00 0.33 0.00 0.00 56.93 57.28 1ha3 s PHE 5 Cb -0.14 -2.46 -0.03 0.00 -1.31 0.00 0.00 43.02 39.08 1ha3 s PHE 5 CO 0.04 -0.23 0.04 0.42 1.83 0.00 0.00 175.22 177.31 1ha3 s ILE 6 N 1.84 4.38 -0.84 3.12 1.01 -1.26 -4.51 121.20 124.94 1ha3 s ILE 6 Ca 0.09 -0.17 -0.25 0.00 0.00 0.00 0.00 60.65 60.32 1ha3 s ILE 6 Cb -0.16 -2.99 -0.00 0.00 0.01 0.00 0.00 42.46 39.31 1ha3 s ILE 6 CO 0.11 0.42 1.67 -0.60 0.00 0.00 0.00 174.94 176.54 1ha3 s ARG 7 N 0.84 2.96 -0.00 2.79 3.52 -1.26 -4.74 118.95 123.05 1ha3 s ARG 7 Ca 0.02 -0.29 0.14 0.00 -0.13 0.00 0.00 55.73 55.48 1ha3 s ARG 7 Cb -0.14 -4.82 -0.17 0.00 -1.56 0.00 0.00 34.95 28.26 1ha3 s ARG 7 CO 0.02 -2.69 0.54 0.25 -0.81 0.00 0.00 175.30 172.61 1ha3 n THR 8 N 7.18 0.00 -3.93 4.11 -2.24 -1.26 -5.03 114.28 113.12 1ha3 n THR 8 Ca 0.27 -0.20 -0.08 0.00 -2.27 0.00 0.00 64.05 61.76 1ha3 n THR 8 Cb 0.50 0.82 -0.08 0.00 -2.10 0.00 0.00 70.33 69.47 1ha3 n THR 8 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ha3 s LYS 9 N -2.49 0.82 0.39 -0.78 1.02 -1.26 -5.09 119.74 112.36 1ha3 s LYS 9 Ca 0.03 -1.05 -0.27 0.00 0.02 0.00 0.00 55.97 54.70 1ha3 s LYS 9 Cb 0.10 0.31 -0.10 0.00 -0.52 0.00 0.00 37.83 37.63 1ha3 s LYS 9 CO 0.59 -0.25 1.44 -2.14 -0.92 0.00 0.00 175.35 174.07 1ha3 s PRO 10 N -3.89 4.02 -0.14 -1.68 0.02 -1.26 -4.58 135.00 127.48 1ha3 s PRO 10 Ca 0.07 2.46 -0.08 0.00 0.02 0.00 0.00 61.00 63.47 1ha3 s PRO 10 Cb 0.06 -2.88 -0.04 0.00 0.02 0.00 0.00 34.50 31.65 1ha3 s PRO 10 CO -0.09 -0.56 0.13 -1.58 -0.33 0.00 0.00 177.00 174.57 1ha3 s HIS 11 N -1.16 3.53 0.01 6.54 2.46 -1.26 -1.13 115.29 124.29 1ha3 s HIS 11 Ca 0.55 0.45 0.02 0.00 0.47 0.00 0.00 55.06 56.55 1ha3 s HIS 11 Cb -0.44 -2.00 -0.01 0.00 -0.13 0.00 0.00 32.58 30.00 1ha3 s HIS 11 CO 0.59 0.60 -0.07 0.08 -2.47 0.00 0.00 174.74 173.47 1ha3 s VAL 12 N -0.63 0.52 -0.19 0.89 1.01 -0.01 -4.96 120.40 117.04 1ha3 s VAL 12 Ca 0.13 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 1ha3 s VAL 12 Cb -0.12 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 1ha3 s VAL 12 CO 0.02 -0.04 0.03 0.20 0.00 0.00 0.00 175.10 175.31 1ha3 s ASN 13 N -0.64 5.16 0.21 3.32 0.01 -1.26 -1.77 114.94 119.97 1ha3 s ASN 13 Ca -0.02 -0.09 0.03 0.00 -0.71 0.00 0.00 52.86 52.08 1ha3 s ASN 13 Cb -0.05 -1.88 -0.01 0.00 0.41 0.00 0.00 41.25 39.71 1ha3 s ASN 13 CO 0.00 0.10 0.12 1.33 -1.51 0.00 0.00 177.10 177.14 1ha3 n VAL 14 N 3.99 0.00 -3.61 1.60 0.24 -0.30 -0.00 118.33 120.24 1ha3 n VAL 14 Ca -0.17 -1.34 0.01 0.00 -2.04 0.00 0.00 64.34 60.80 1ha3 n VAL 14 Cb 0.52 0.57 -0.01 0.00 -1.47 0.00 0.00 33.84 33.45 1ha3 n VAL 14 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ha3 s GLY 15 N -2.35 -0.39 -0.15 7.63 0.00 -1.23 -1.87 107.32 108.95 1ha3 s GLY 15 Ca 0.17 0.87 -0.04 0.00 0.00 0.00 0.00 44.72 45.72 1ha3 s GLY 15 CO 0.12 0.20 -0.02 -0.51 0.00 0.00 0.00 173.10 172.89 1ha3 s THR 16 N -2.41 4.06 0.29 0.90 -4.23 -0.89 -0.38 115.64 112.97 1ha3 s THR 16 Ca 0.13 -0.30 0.02 0.00 -1.18 0.00 0.00 61.69 60.36 1ha3 s THR 16 Cb 0.04 -2.78 -0.06 0.00 1.34 0.00 0.00 72.50 71.04 1ha3 s THR 16 CO -0.04 0.50 0.08 0.27 -0.54 0.00 0.00 174.62 174.89 1ha3 s ILE 17 N 0.21 0.81 0.00 2.99 -4.36 -0.36 -2.81 121.20 117.67 1ha3 s ILE 17 Ca -0.01 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.38 1ha3 s ILE 17 Cb -0.14 -2.70 0.00 0.00 1.25 0.00 0.00 42.46 40.88 1ha3 s ILE 17 CO 0.02 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.81 1ha3 n GLY 18 N -0.56 3.56 3.62 6.27 0.00 -1.26 -0.72 105.19 116.11 1ha3 n GLY 18 Ca -0.01 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 1ha3 n GLY 18 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ha3 n HIS 19 N -1.63 1.06 -1.66 1.61 -0.00 -1.26 -4.80 115.22 108.55 1ha3 n HIS 19 Ca 0.00 0.47 -0.45 0.00 0.46 0.00 0.00 57.72 58.20 1ha3 n HIS 19 Cb 0.00 -2.19 -0.02 0.00 -0.12 0.00 0.00 29.99 27.66 1ha3 n HIS 19 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 1ha3 n VAL 20 N -1.27 1.14 -0.83 3.57 3.14 -1.26 -1.78 118.33 121.04 1ha3 n VAL 20 Ca 0.12 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1ha3 n VAL 20 Cb 0.45 -1.37 0.00 0.00 -1.06 0.00 0.00 33.84 31.85 1ha3 n VAL 20 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1ha3 n ASP 21 N 1.90 0.00 0.17 6.55 8.00 -1.26 -4.88 116.55 127.03 1ha3 n ASP 21 Ca 0.11 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.74 1ha3 n ASP 21 Cb 0.31 -0.79 0.46 0.00 -0.02 0.00 0.00 41.12 41.08 1ha3 n ASP 21 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 1ha3 h HIS 22 N 0.00 0.00 0.00 1.24 3.86 -1.70 -3.47 115.15 115.08 1ha3 h HIS 22 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ha3 h HIS 22 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1ha3 h HIS 22 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 1ha3 n GLY 23 N 0.56 1.01 0.38 2.45 0.00 -1.26 -4.43 105.19 103.89 1ha3 n GLY 23 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1ha3 n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ha3 h LYS 24 N 0.00 -0.52 -0.72 1.61 1.57 -1.90 0.55 116.57 117.16 1ha3 h LYS 24 Ca 0.00 0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1ha3 h LYS 24 Cb 0.00 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1ha3 h LYS 24 CO 0.00 -0.35 0.19 1.15 -0.57 0.00 0.00 179.45 179.88 1ha3 h THR 25 N -0.54 1.26 -0.63 -0.16 2.02 -1.96 -1.37 112.91 111.54 1ha3 h THR 25 Ca 0.05 -0.95 -0.08 0.00 0.77 0.00 0.00 66.41 66.20 1ha3 h THR 25 Cb 0.62 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1ha3 h THR 25 CO -0.29 0.37 0.07 0.74 0.37 0.00 0.00 175.52 176.77 1ha3 h THR 26 N 1.08 1.26 -0.34 3.16 2.02 -1.91 -2.26 112.91 115.92 1ha3 h THR 26 Ca 0.23 -1.06 -0.11 0.00 0.77 0.00 0.00 66.41 66.24 1ha3 h THR 26 Cb 0.35 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1ha3 h THR 26 CO -0.00 0.39 -0.23 0.25 0.37 0.00 0.00 175.52 176.30 1ha3 h LEU 27 N 0.98 0.67 -0.49 2.58 5.85 -0.66 -1.31 115.31 122.93 1ha3 h LEU 27 Ca 0.19 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1ha3 h LEU 27 Cb 0.47 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1ha3 h LEU 27 CO 0.02 0.89 0.25 0.74 -0.34 0.00 0.00 178.44 180.00 1ha3 h THR 28 N 0.58 1.18 -0.39 1.05 2.02 -0.96 -0.35 112.91 116.05 1ha3 h THR 28 Ca 0.08 -0.50 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 1ha3 h THR 28 Cb 0.71 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1ha3 h THR 28 CO 0.05 0.20 0.10 0.00 0.37 0.00 0.00 175.52 176.24 1ha3 h ALA 29 N 1.09 0.52 -0.56 6.16 0.00 -1.21 -2.60 119.26 122.66 1ha3 h ALA 29 Ca 0.17 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1ha3 h ALA 29 Cb 0.09 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1ha3 h ALA 29 CO -0.02 0.19 0.29 0.00 0.00 0.00 0.00 179.25 179.70 1ha3 h ALA 30 N 0.95 0.72 -0.46 0.00 0.00 -0.91 -1.31 119.26 118.25 1ha3 h ALA 30 Ca 0.12 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1ha3 h ALA 30 Cb 0.30 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1ha3 h ALA 30 CO 0.00 -0.06 0.19 -0.07 0.00 0.00 0.00 179.25 179.31 1ha3 h LEU 31 N 0.55 0.23 -0.71 0.00 3.38 -0.81 0.84 115.31 118.78 1ha3 h LEU 31 Ca 0.25 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 1ha3 h LEU 31 Cb 0.16 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1ha3 h LEU 31 CO -0.17 0.16 -0.28 0.71 0.09 0.00 0.00 178.44 178.95 1ha3 h THR 32 N 0.38 1.28 -0.15 0.22 1.35 -1.07 -2.42 112.91 112.49 1ha3 h THR 32 Ca 0.21 -1.40 -0.07 0.00 -0.55 0.00 0.00 66.41 64.60 1ha3 h THR 32 Cb 0.18 1.33 -0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1ha3 h THR 32 CO -0.19 0.46 -0.17 -0.26 -0.25 0.00 0.00 175.52 175.10 1ha3 h PHE 33 N 0.59 0.46 -0.35 4.73 -1.00 -0.82 -1.72 116.94 118.82 1ha3 h PHE 33 Ca 0.07 -0.14 0.00 0.00 2.81 0.00 0.00 57.97 60.71 1ha3 h PHE 33 Cb 0.78 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 40.23 1ha3 h PHE 33 CO 0.04 0.79 0.22 0.28 -1.61 0.00 0.00 178.31 178.02 1ha3 h VAL 34 N 0.00 1.10 -0.03 -0.55 2.07 -0.86 -2.73 116.25 115.26 1ha3 h VAL 34 Ca 0.02 -0.22 -0.12 0.00 0.82 0.00 0.00 66.70 67.21 1ha3 h VAL 34 Cb 0.72 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1ha3 h VAL 34 CO 0.04 0.10 -0.53 0.71 0.02 0.00 0.00 177.57 177.92 1ha3 h THR 35 N 0.46 1.37 0.00 2.57 1.35 -1.49 -2.91 112.91 114.26 1ha3 h THR 35 Ca 0.13 -1.81 -0.00 0.00 -0.55 0.00 0.00 66.41 64.18 1ha3 h THR 35 Cb -0.02 1.94 -0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1ha3 h THR 35 CO -0.03 0.52 -0.00 0.00 -0.25 0.00 0.00 175.52 175.77 1ha3 h ALA 36 N 1.40 1.09 0.00 6.62 0.00 -0.98 0.04 119.26 127.43 1ha3 h ALA 36 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ha3 h ALA 36 Cb 0.95 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1ha3 h ALA 36 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.32 1ha3 h ALA 37 N 2.00 1.00 0.00 0.00 0.00 -1.47 -3.08 119.26 117.71 1ha3 h ALA 37 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1ha3 h ALA 37 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1ha3 h ALA 37 CO 0.00 0.00 -1.60 0.39 0.00 0.00 0.00 179.25 178.04 1ha3 n GLU 38 N -2.61 1.40 -3.55 0.00 -0.58 -0.10 -4.92 120.64 110.27 1ha3 n GLU 38 Ca 0.01 0.03 -0.29 0.00 -0.42 0.00 0.00 57.16 56.49 1ha3 n GLU 38 Cb 0.21 -1.22 -0.14 0.00 -0.57 0.00 0.00 31.44 29.73 1ha3 n GLU 38 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1ha3 s ASN 39 N -4.57 3.41 0.30 1.62 0.01 -0.57 -5.02 114.94 110.11 1ha3 s ASN 39 Ca -0.10 -1.75 0.11 0.00 -0.71 0.00 0.00 52.86 50.41 1ha3 s ASN 39 Cb 0.03 -0.49 0.94 0.00 0.41 0.00 0.00 41.25 42.14 1ha3 s ASN 39 CO 0.30 -0.38 1.35 -2.65 -1.51 0.00 0.00 177.10 174.21 1ha3 n PRO 40 N 4.64 -0.06 -0.67 -0.60 -0.02 -1.17 -4.14 135.00 132.98 1ha3 n PRO 40 Ca 0.02 1.23 -0.21 0.00 -2.02 0.00 0.00 63.50 62.52 1ha3 n PRO 40 Cb 0.40 -2.10 0.01 0.00 -0.02 0.00 0.00 33.50 31.79 1ha3 n PRO 40 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ha3 n ASN 41 N -5.08 -2.08 0.18 2.55 3.02 -1.26 -4.83 115.26 107.75 1ha3 n ASN 41 Ca 0.27 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 55.16 1ha3 n ASN 41 Cb 0.91 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 1ha3 n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ha3 n ALA 66 N -0.86 0.00 -3.96 5.41 0.00 -1.26 -4.95 120.51 114.89 1ha3 n ALA 66 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.17 1ha3 n ALA 66 Cb 0.26 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.56 1ha3 n ALA 66 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ha3 s HIS 67 N -3.02 3.29 0.51 0.00 5.65 -1.26 -1.47 115.29 118.98 1ha3 s HIS 67 Ca 0.00 -2.69 0.07 0.00 0.25 0.00 0.00 55.06 52.69 1ha3 s HIS 67 Cb 0.00 -2.60 0.03 0.00 -1.18 0.00 0.00 32.58 28.82 1ha3 s HIS 67 CO 0.00 -0.93 0.45 0.14 -0.65 0.00 0.00 174.74 173.76 1ha3 s VAL 68 N 1.07 2.04 0.04 0.89 -7.23 0.56 -4.90 120.40 112.88 1ha3 s VAL 68 Ca 0.10 -1.38 0.01 0.00 -1.81 0.00 0.00 61.98 58.90 1ha3 s VAL 68 Cb -0.19 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 1ha3 s VAL 68 CO -0.11 0.00 -0.06 -1.83 -0.31 0.00 0.00 175.10 172.79 1ha3 s GLU 69 N -4.29 0.50 -0.00 4.82 -1.05 -1.26 0.69 118.70 118.11 1ha3 s GLU 69 Ca 0.43 -0.81 -0.28 0.00 -0.15 0.00 0.00 54.97 54.15 1ha3 s GLU 69 Cb -0.03 -0.11 0.10 0.00 -0.44 0.00 0.00 34.13 33.65 1ha3 s GLU 69 CO 0.26 -0.00 0.87 1.52 0.95 0.00 0.00 175.26 178.85 1ha3 s TYR 70 N -1.87 -0.37 0.05 4.83 -0.85 -0.75 -4.88 117.35 113.51 1ha3 s TYR 70 Ca -0.08 0.26 -0.00 0.00 -0.52 0.00 0.00 57.07 56.72 1ha3 s TYR 70 Cb -0.07 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.77 1ha3 s TYR 70 CO -0.02 -0.56 -0.04 -1.83 -1.52 0.00 0.00 175.55 171.59 1ha3 s GLU 71 N -3.04 0.60 0.52 -3.49 -1.05 -1.26 -0.48 118.70 110.50 1ha3 s GLU 71 Ca 0.04 -1.12 0.04 0.00 -0.15 0.00 0.00 54.97 53.78 1ha3 s GLU 71 Cb -0.01 0.08 0.01 0.00 -0.44 0.00 0.00 34.13 33.78 1ha3 s GLU 71 CO -0.09 -0.07 0.24 0.95 0.95 0.00 0.00 175.26 177.24 1ha3 s THR 72 N -3.32 1.50 0.46 1.83 -4.23 -0.22 -4.88 115.64 106.78 1ha3 s THR 72 Ca 0.03 -1.70 0.16 0.00 -1.18 0.00 0.00 61.69 59.00 1ha3 s THR 72 Cb 0.04 -2.20 0.21 0.00 1.34 0.00 0.00 72.50 71.88 1ha3 s THR 72 CO -0.07 0.00 2.02 0.00 -0.54 0.00 0.00 174.62 176.03 1ha3 h ALA 73 N 1.02 1.70 0.15 3.99 0.00 -2.01 -3.22 119.26 120.89 1ha3 h ALA 73 Ca -0.40 -0.14 -0.35 0.00 0.00 0.00 0.00 54.91 54.02 1ha3 h ALA 73 Cb 1.30 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ha3 h ALA 73 CO 0.64 0.19 -1.84 0.87 0.00 0.00 0.00 179.25 179.12 1ha3 h LYS 74 N 0.00 0.32 -4.18 0.00 1.57 -1.99 -3.50 116.57 108.79 1ha3 h LYS 74 Ca -0.00 -0.56 -0.16 0.00 -1.87 0.00 0.00 60.65 58.07 1ha3 h LYS 74 Cb 0.28 0.21 -0.13 0.00 0.08 0.00 0.00 32.23 32.66 1ha3 h LYS 74 CO 0.02 1.24 -0.45 1.03 -0.57 0.00 0.00 179.45 180.72 1ha3 s ARG 75 N -2.57 1.19 -0.16 3.15 0.52 -1.22 -4.29 118.95 115.57 1ha3 s ARG 75 Ca -0.18 -1.39 -0.07 0.00 -0.52 0.00 0.00 55.73 53.58 1ha3 s ARG 75 Cb 0.06 0.33 -0.04 0.00 0.52 0.00 0.00 34.95 35.82 1ha3 s ARG 75 CO 0.82 -0.42 0.06 -1.58 0.02 0.00 0.00 175.30 174.20 1ha3 s HIS 76 N -4.06 3.26 0.00 -0.53 5.65 -0.28 -1.05 115.29 118.29 1ha3 s HIS 76 Ca 0.27 0.12 0.08 0.00 0.25 0.00 0.00 55.06 55.77 1ha3 s HIS 76 Cb 0.05 -2.02 -0.02 0.00 -1.18 0.00 0.00 32.58 29.40 1ha3 s HIS 76 CO 0.06 0.25 -0.25 0.71 -0.65 0.00 0.00 174.74 174.86 1ha3 s TYR 77 N 0.07 2.19 -0.16 3.88 2.02 0.37 -0.83 117.35 124.89 1ha3 s TYR 77 Ca 0.05 -0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 56.33 1ha3 s TYR 77 Cb -0.12 -1.37 -0.01 0.00 -0.40 0.00 0.00 41.96 40.05 1ha3 s TYR 77 CO 0.01 0.02 -0.11 -1.12 -1.57 0.00 0.00 175.55 172.77 1ha3 s SER 78 N -0.81 4.01 -0.09 2.29 0.01 -0.73 -1.82 113.70 116.57 1ha3 s SER 78 Ca 0.10 -0.37 0.02 0.00 1.31 0.00 0.00 55.95 57.01 1ha3 s SER 78 Cb -0.09 -1.63 0.01 0.00 0.21 0.00 0.00 66.02 64.51 1ha3 s SER 78 CO 0.00 0.10 -0.16 -2.28 0.41 0.00 0.00 173.24 171.32 1ha3 s HIS 79 N 0.72 1.88 -0.21 2.43 2.46 0.22 -1.15 115.29 121.63 1ha3 s HIS 79 Ca -0.05 -0.79 -0.05 0.00 0.47 0.00 0.00 55.06 54.63 1ha3 s HIS 79 Cb -0.15 -1.33 -0.02 0.00 -0.13 0.00 0.00 32.58 30.94 1ha3 s HIS 79 CO 0.02 -0.38 0.01 0.14 -2.47 0.00 0.00 174.74 172.06 1ha3 s VAL 80 N 0.73 4.01 -0.47 0.89 -7.23 -0.78 -0.32 120.40 117.22 1ha3 s VAL 80 Ca -0.12 -0.29 -0.21 0.00 -1.81 0.00 0.00 61.98 59.55 1ha3 s VAL 80 Cb -0.16 -2.83 0.04 0.00 0.56 0.00 0.00 36.38 33.99 1ha3 s VAL 80 CO 0.03 0.41 0.67 -0.62 -0.31 0.00 0.00 175.10 175.28 1ha3 s ASP 81 N 1.12 6.29 -0.15 4.85 2.15 -0.54 -2.10 116.67 128.28 1ha3 s ASP 81 Ca 0.03 -0.54 -0.29 0.00 0.43 0.00 0.00 52.55 52.18 1ha3 s ASP 81 Cb -0.14 -2.32 -0.02 0.00 -0.30 0.00 0.00 42.92 40.14 1ha3 s ASP 81 CO 0.02 -0.87 1.25 0.00 -0.17 0.00 0.00 175.17 175.40 1ha3 h PRO 83 N 8.09 0.90 0.00 0.00 0.11 -1.96 -3.46 132.00 135.67 1ha3 h PRO 83 Ca -0.27 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1ha3 h PRO 83 Cb 1.11 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1ha3 h PRO 83 CO 0.96 0.59 0.00 0.41 -0.21 0.00 0.00 178.00 179.75 1ha3 n GLY 84 N -1.37 1.42 3.81 -0.55 0.00 -1.26 -4.91 105.19 102.34 1ha3 n GLY 84 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1ha3 n GLY 84 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ha3 s HIS 85 N -3.77 3.03 0.37 1.61 3.76 -1.26 -4.92 115.29 114.10 1ha3 s HIS 85 Ca 0.00 1.46 0.09 0.00 -0.15 0.00 0.00 55.06 56.46 1ha3 s HIS 85 Cb 0.00 -2.93 0.82 0.00 1.11 0.00 0.00 32.58 31.58 1ha3 s HIS 85 CO 0.00 -1.25 1.90 0.00 -0.85 0.00 0.00 174.74 174.55 1ha3 h ALA 86 N -0.40 1.83 0.00 -1.40 0.00 -2.02 -0.92 119.26 116.34 1ha3 h ALA 86 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ha3 h ALA 86 Cb 1.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ha3 h ALA 86 CO 0.56 -0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.39 1ha3 n ASP 87 N -4.52 0.00 -1.02 0.00 5.75 -1.26 -2.66 116.55 112.84 1ha3 n ASP 87 Ca 0.15 0.21 0.09 0.00 -0.01 0.00 0.00 54.79 55.23 1ha3 n ASP 87 Cb 0.40 -0.39 0.24 0.00 -1.03 0.00 0.00 41.12 40.35 1ha3 n ASP 87 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1ha3 n TYR 88 N -1.39 0.78 -0.28 2.11 4.02 -0.36 -4.68 117.16 117.36 1ha3 n TYR 88 Ca 0.08 -0.53 0.09 0.00 -0.01 0.00 0.00 57.90 57.54 1ha3 n TYR 88 Cb 0.22 -0.05 0.24 0.00 -0.02 0.00 0.00 39.34 39.74 1ha3 n TYR 88 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 176.86 176.82 1ha3 h ILE 89 N 3.10 0.51 0.00 -0.72 6.09 -1.49 0.78 117.51 125.78 1ha3 h ILE 89 Ca 0.00 -0.12 -0.06 0.00 -1.37 0.00 0.00 64.86 63.31 1ha3 h ILE 89 Cb 0.93 0.12 -0.01 0.00 0.47 0.00 0.00 36.82 38.33 1ha3 h ILE 89 CO 0.03 0.07 -0.28 0.11 -3.07 0.00 0.00 178.15 175.00 1ha3 h LYS 90 N 0.36 0.00 -0.01 2.19 1.57 -1.87 -1.37 116.57 117.45 1ha3 h LYS 90 Ca 0.49 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 59.05 1ha3 h LYS 90 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1ha3 h LYS 90 CO -0.51 0.28 -0.92 -0.91 -0.57 0.00 0.00 179.45 176.82 1ha3 h ASN 91 N 0.00 0.51 -0.50 0.86 2.35 -1.26 -2.98 115.58 114.57 1ha3 h ASN 91 Ca -0.00 -0.41 -0.12 0.00 -0.55 0.00 0.00 56.30 55.22 1ha3 h ASN 91 Cb 0.51 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1ha3 h ASN 91 CO 0.04 1.20 -0.17 -0.03 -1.65 0.00 0.00 177.43 176.81 1ha3 h MET 92 N 0.23 1.00 -0.04 0.81 4.05 -0.71 -0.35 114.93 119.91 1ha3 h MET 92 Ca -0.07 -0.41 0.03 0.00 -0.28 0.00 0.00 59.70 58.97 1ha3 h MET 92 Cb 1.55 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 32.27 1ha3 h MET 92 CO 0.16 1.09 -0.16 0.82 0.23 0.00 0.00 176.91 179.04 1ha3 h ILE 93 N 0.86 0.60 -0.13 1.77 2.04 -1.24 0.50 117.51 121.90 1ha3 h ILE 93 Ca 0.12 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.84 1ha3 h ILE 93 Cb 0.75 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1ha3 h ILE 93 CO 0.06 0.00 -0.50 0.71 0.00 0.00 0.00 178.15 178.42 1ha3 h THR 94 N -0.25 1.34 -0.08 -0.27 1.35 -1.46 -1.46 112.91 112.08 1ha3 h THR 94 Ca 0.07 -1.74 -0.02 0.00 -0.55 0.00 0.00 66.41 64.16 1ha3 h THR 94 Cb 0.34 1.79 -0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1ha3 h THR 94 CO -0.19 0.53 -0.03 1.23 -0.25 0.00 0.00 175.52 176.82 1ha3 h GLY 95 N 1.25 0.17 1.80 5.82 0.00 -0.66 -3.08 103.07 108.36 1ha3 h GLY 95 Ca 0.01 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 1ha3 h GLY 95 CO 0.08 0.13 -0.22 0.00 0.00 0.00 0.00 176.54 176.54 1ha3 h ALA 96 N 0.65 1.38 0.00 3.60 0.00 0.00 -2.57 119.26 122.33 1ha3 h ALA 96 Ca 0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1ha3 h ALA 96 Cb 0.44 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ha3 h ALA 96 CO 0.01 0.43 -0.03 0.00 0.00 0.00 0.00 179.25 179.66 1ha3 h ALA 97 N 1.56 1.12 -0.35 0.00 0.00 -1.18 -2.28 119.26 118.13 1ha3 h ALA 97 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ha3 h ALA 97 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ha3 h ALA 97 CO 0.03 0.04 0.00 1.04 0.00 0.00 0.00 179.25 180.36 1ha3 n GLN 98 N -3.30 2.32 -3.13 0.00 3.00 -0.97 -4.98 117.38 110.32 1ha3 n GLN 98 Ca -0.02 -2.13 -0.37 0.00 -0.01 0.00 0.00 57.00 54.47 1ha3 n GLN 98 Cb 0.17 -1.44 -0.06 0.00 0.00 0.00 0.00 30.24 28.90 1ha3 n GLN 98 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 1ha3 s MET 99 N -1.33 4.26 0.02 -1.09 -1.94 -0.86 -4.77 119.30 113.59 1ha3 s MET 99 Ca 0.34 0.85 0.23 0.00 -1.71 0.00 0.00 55.69 55.40 1ha3 s MET 99 Cb 0.20 -2.96 0.12 0.00 2.01 0.00 0.00 34.83 34.19 1ha3 s MET 99 CO 0.27 0.45 1.11 -0.25 -0.01 0.00 0.00 175.02 176.59 1ha3 n ASP 100 N 0.93 0.66 -3.59 3.03 8.00 1.00 -4.60 116.55 121.98 1ha3 n ASP 100 Ca -0.04 -0.40 -0.05 0.00 0.71 0.00 0.00 54.79 55.01 1ha3 n ASP 100 Cb 0.51 0.69 -0.03 0.00 -0.02 0.00 0.00 41.12 42.26 1ha3 n ASP 100 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1ha3 s GLY 101 N -3.32 -0.22 0.05 0.44 0.00 -1.18 -4.08 107.32 99.02 1ha3 s GLY 101 Ca 0.07 1.89 0.05 0.00 0.00 0.00 0.00 44.72 46.74 1ha3 s GLY 101 CO 0.79 0.73 -0.15 0.00 0.00 0.00 0.00 173.10 174.47 1ha3 s ALA 102 N -1.94 1.25 -0.35 3.20 0.00 -0.50 -3.54 121.76 119.88 1ha3 s ALA 102 Ca 0.07 -0.92 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 1ha3 s ALA 102 Cb -0.01 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1ha3 s ALA 102 CO -0.05 0.22 0.21 0.42 0.00 0.00 0.00 175.76 176.56 1ha3 s ILE 103 N -1.01 4.80 -0.31 0.00 1.01 0.49 -1.70 121.20 124.48 1ha3 s ILE 103 Ca 0.01 -0.58 -0.20 0.00 0.00 0.00 0.00 60.65 59.88 1ha3 s ILE 103 Cb -0.09 -3.57 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 1ha3 s ILE 103 CO 0.02 -0.11 0.64 -0.22 0.00 0.00 0.00 174.94 175.27 1ha3 s LEU 104 N 1.62 4.15 -0.18 2.97 2.96 -0.02 -1.23 118.68 128.96 1ha3 s LEU 104 Ca 0.04 0.42 -0.14 0.00 -0.22 0.00 0.00 54.13 54.23 1ha3 s LEU 104 Cb -0.18 -2.83 -0.05 0.00 0.50 0.00 0.00 46.19 43.64 1ha3 s LEU 104 CO 0.08 -0.50 0.30 -0.69 -1.32 0.00 0.00 176.35 174.22 1ha3 s VAL 105 N 2.64 5.29 -0.07 1.68 1.01 0.11 -1.37 120.40 129.69 1ha3 s VAL 105 Ca 0.26 0.55 -0.00 0.00 0.00 0.00 0.00 61.98 62.78 1ha3 s VAL 105 Cb -0.15 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1ha3 s VAL 105 CO 0.12 0.36 -0.03 -0.69 0.00 0.00 0.00 175.10 174.86 1ha3 s VAL 106 N 0.69 0.59 0.04 2.92 1.01 -0.95 -4.09 120.40 120.61 1ha3 s VAL 106 Ca 0.16 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 1ha3 s VAL 106 Cb -0.13 -0.67 -0.06 0.00 0.00 0.00 0.00 36.38 35.52 1ha3 s VAL 106 CO 0.05 0.28 1.32 -0.55 0.00 0.00 0.00 175.10 176.20 1ha3 s SER 107 N 1.55 6.92 0.46 3.32 0.15 -1.26 -0.83 113.70 124.01 1ha3 s SER 107 Ca -0.01 2.11 0.24 0.00 0.70 0.00 0.00 55.95 58.99 1ha3 s SER 107 Cb -0.13 -2.57 1.13 0.00 -1.71 0.00 0.00 66.02 62.74 1ha3 s SER 107 CO -0.04 -0.62 1.94 0.00 1.20 0.00 0.00 173.24 175.71 1ha3 h ALA 108 N 7.26 1.19 0.00 5.45 0.00 -1.01 0.26 119.26 132.42 1ha3 h ALA 108 Ca -0.39 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1ha3 h ALA 108 Cb 1.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ha3 h ALA 108 CO 0.87 0.26 -0.05 0.00 0.00 0.00 0.00 179.25 180.33 1ha3 h ALA 109 N 1.79 0.97 0.00 0.00 0.00 -1.79 -3.37 119.26 116.85 1ha3 h ALA 109 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ha3 h ALA 109 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ha3 h ALA 109 CO 0.03 0.00 -0.99 -0.25 0.00 0.00 0.00 179.25 178.04 1ha3 n ASP 110 N -2.44 4.93 -0.39 0.00 8.00 -0.95 -5.13 116.55 120.56 1ha3 n ASP 110 Ca 0.05 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.60 1ha3 n ASP 110 Cb 0.45 0.78 -0.01 0.00 -0.02 0.00 0.00 41.12 42.32 1ha3 n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ha3 n GLY 111 N 2.67 -1.49 3.72 0.44 0.00 0.88 -4.82 105.19 106.58 1ha3 n GLY 111 Ca 0.00 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 1ha3 n GLY 111 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ha3 n PRO 112 N -1.97 2.39 -4.59 1.61 -0.02 -1.26 -4.62 135.00 126.53 1ha3 n PRO 112 Ca 0.00 0.84 -0.27 0.00 -2.02 0.00 0.00 63.50 62.05 1ha3 n PRO 112 Cb 0.18 -2.53 -0.09 0.00 -0.02 0.00 0.00 33.50 31.05 1ha3 n PRO 112 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1ha3 s MET 113 N -1.27 1.97 0.27 -0.52 -1.94 -1.26 -5.01 119.30 111.54 1ha3 s MET 113 Ca 0.60 -2.20 0.01 0.00 -1.71 0.00 0.00 55.69 52.39 1ha3 s MET 113 Cb -0.54 -1.05 0.63 0.00 2.01 0.00 0.00 34.83 35.88 1ha3 s MET 113 CO 0.56 -0.35 1.69 -1.35 -0.01 0.00 0.00 175.02 175.57 1ha3 h PRO 114 N 1.70 0.33 0.00 2.03 0.11 -2.01 -0.28 132.00 133.88 1ha3 h PRO 114 Ca -0.40 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.63 1ha3 h PRO 114 Cb 1.28 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1ha3 h PRO 114 CO 0.67 0.22 -0.31 1.96 -0.21 0.00 0.00 178.00 180.32 1ha3 h GLN 115 N 0.33 0.00 -0.41 1.05 4.20 -1.97 -0.84 115.11 117.47 1ha3 h GLN 115 Ca 0.51 0.00 0.04 0.00 0.06 0.00 0.00 58.65 59.26 1ha3 h GLN 115 Cb 0.94 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.68 1ha3 h GLN 115 CO -0.54 0.31 0.19 1.15 -0.67 0.00 0.00 178.83 179.27 1ha3 h THR 116 N 0.00 0.94 -0.16 -0.54 2.02 -1.36 0.19 112.91 114.01 1ha3 h THR 116 Ca -0.00 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 66.95 1ha3 h THR 116 Cb 0.73 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1ha3 h THR 116 CO 0.04 0.07 -0.28 0.03 0.37 0.00 0.00 175.52 175.75 1ha3 h ARG 117 N 0.38 0.47 -0.43 6.66 3.08 -1.37 -2.90 114.38 120.27 1ha3 h ARG 117 Ca 0.18 -0.29 0.02 0.00 0.07 0.00 0.00 59.98 59.96 1ha3 h ARG 117 Cb 0.11 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 1ha3 h ARG 117 CO -0.15 0.89 0.25 1.49 -1.07 0.00 0.00 179.97 181.39 1ha3 h GLU 118 N 0.09 0.49 -0.27 0.04 4.81 -0.80 -1.20 114.58 117.75 1ha3 h GLU 118 Ca 0.01 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1ha3 h GLU 118 Cb 0.87 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1ha3 h GLU 118 CO 0.06 0.33 -0.23 0.45 -0.73 0.00 0.00 179.01 178.89 1ha3 h HIS 119 N 0.51 0.56 -0.39 0.92 3.86 -0.71 -1.86 115.15 118.04 1ha3 h HIS 119 Ca 0.17 -0.11 -0.13 0.00 -1.16 0.00 0.00 60.37 59.14 1ha3 h HIS 119 Cb 0.01 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 1ha3 h HIS 119 CO -0.07 0.70 -0.28 0.82 0.86 0.00 0.00 177.93 179.95 1ha3 h ILE 120 N 0.45 1.28 -0.30 2.45 1.08 -1.26 -0.10 117.51 121.11 1ha3 h ILE 120 Ca 0.07 -1.43 -0.04 0.00 -0.39 0.00 0.00 64.86 63.07 1ha3 h ILE 120 Cb 0.64 1.28 -0.01 0.00 -3.07 0.00 0.00 36.82 35.66 1ha3 h ILE 120 CO 0.05 0.48 0.04 0.25 -0.69 0.00 0.00 178.15 178.27 1ha3 h LEU 121 N 0.70 0.48 -0.83 1.44 6.46 -1.00 -1.21 115.31 121.35 1ha3 h LEU 121 Ca 0.08 -0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.55 1ha3 h LEU 121 Cb 0.82 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.59 1ha3 h LEU 121 CO 0.07 0.63 0.42 -0.07 -0.62 0.00 0.00 178.44 178.87 1ha3 h LEU 122 N 0.31 1.06 -0.85 2.25 3.38 -1.21 -0.11 115.31 120.14 1ha3 h LEU 122 Ca 0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1ha3 h LEU 122 Cb 0.36 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1ha3 h LEU 122 CO 0.01 0.88 0.51 0.00 0.09 0.00 0.00 178.44 179.93 1ha3 h ALA 123 N 1.22 1.08 -0.28 1.53 0.00 -0.76 -0.92 119.26 121.14 1ha3 h ALA 123 Ca 0.29 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1ha3 h ALA 123 Cb 0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1ha3 h ALA 123 CO -0.04 0.55 -0.04 0.00 0.00 0.00 0.00 179.25 179.71 1ha3 h ARG 124 N 1.17 0.52 0.00 0.00 2.47 -0.66 0.20 114.38 118.07 1ha3 h ARG 124 Ca 0.30 -0.19 -0.03 0.00 -1.26 0.00 0.00 59.98 58.80 1ha3 h ARG 124 Cb -0.04 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.24 1ha3 h ARG 124 CO -0.06 0.71 -0.15 1.96 0.56 0.00 0.00 179.97 183.00 1ha3 h GLN 125 N 0.29 0.00 -0.35 0.04 4.20 -0.60 -1.90 115.11 116.78 1ha3 h GLN 125 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1ha3 h GLN 125 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1ha3 h GLN 125 CO 0.02 0.15 0.00 1.33 -0.67 0.00 0.00 178.83 179.66 1ha3 n VAL 126 N -3.80 0.48 -1.78 -0.54 0.24 -0.39 -4.99 118.33 107.55 1ha3 n VAL 126 Ca -0.02 -0.74 -0.04 0.00 -2.04 0.00 0.00 64.34 61.50 1ha3 n VAL 126 Cb 0.25 1.01 -0.01 0.00 -1.47 0.00 0.00 33.84 33.62 1ha3 n VAL 126 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ha3 n GLY 127 N 1.42 0.36 3.67 7.63 0.00 -0.72 -4.69 105.19 112.85 1ha3 n GLY 127 Ca 0.18 -0.76 -0.44 0.00 0.00 0.00 0.00 46.02 45.00 1ha3 n GLY 127 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ha3 n VAL 128 N -3.65 0.72 0.12 1.61 0.31 0.63 -4.86 118.33 113.21 1ha3 n VAL 128 Ca -0.05 -0.13 0.01 0.00 -0.01 0.00 0.00 64.34 64.16 1ha3 n VAL 128 Cb 0.41 -2.19 0.33 0.00 -0.91 0.00 0.00 33.84 31.48 1ha3 n VAL 128 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1ha3 h PRO 129 N 10.20 0.20 -3.43 5.55 0.13 -1.81 -3.45 132.00 139.38 1ha3 h PRO 129 Ca -0.50 -0.06 -0.14 0.00 -0.87 0.00 0.00 66.00 64.43 1ha3 h PRO 129 Cb 1.25 -0.02 -0.20 0.00 0.13 0.00 0.00 31.00 32.16 1ha3 h PRO 129 CO 0.94 0.46 -0.44 0.71 -0.23 0.00 0.00 178.00 179.44 1ha3 s TYR 130 N -4.43 0.00 -0.06 1.56 1.51 -1.26 -5.05 117.35 109.63 1ha3 s TYR 130 Ca -0.05 -0.08 0.05 0.00 -1.01 0.00 0.00 57.07 55.98 1ha3 s TYR 130 Cb 0.15 -0.02 -0.00 0.00 -0.11 0.00 0.00 41.96 41.97 1ha3 s TYR 130 CO 0.74 -0.32 -0.20 0.42 -1.11 0.00 0.00 175.55 175.09 1ha3 s ILE 131 N -1.48 1.67 -0.08 2.71 -1.09 -1.26 -1.41 121.20 120.26 1ha3 s ILE 131 Ca -0.14 -0.84 0.04 0.00 -2.23 0.00 0.00 60.65 57.48 1ha3 s ILE 131 Cb -0.07 -1.43 0.00 0.00 -1.58 0.00 0.00 42.46 39.39 1ha3 s ILE 131 CO 0.02 0.47 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.31 1ha3 s VAL 132 N 0.06 1.73 -0.12 2.92 1.01 -0.69 -4.48 120.40 120.82 1ha3 s VAL 132 Ca -0.06 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 1ha3 s VAL 132 Cb -0.13 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1ha3 s VAL 132 CO 0.03 0.49 0.10 -0.69 0.00 0.00 0.00 175.10 175.04 1ha3 s VAL 133 N 0.33 5.20 -0.30 2.92 1.01 -0.49 -0.84 120.40 128.23 1ha3 s VAL 133 Ca -0.14 0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1ha3 s VAL 133 Cb -0.16 -3.26 0.09 0.00 0.00 0.00 0.00 36.38 33.04 1ha3 s VAL 133 CO 0.06 0.59 0.02 0.12 0.00 0.00 0.00 175.10 175.89 1ha3 s PHE 134 N -0.82 2.89 -0.49 5.22 5.36 -0.47 -0.73 117.98 128.94 1ha3 s PHE 134 Ca 0.13 -2.33 -0.29 0.00 -0.96 0.00 0.00 56.93 53.49 1ha3 s PHE 134 Cb -0.12 -2.21 0.03 0.00 -0.34 0.00 0.00 43.02 40.38 1ha3 s PHE 134 CO 0.03 -0.88 1.20 1.41 -1.46 0.00 0.00 175.22 175.52 1ha3 s MET 135 N 1.21 3.65 0.55 10.12 -2.45 0.19 -2.23 119.30 130.33 1ha3 s MET 135 Ca 0.05 0.56 0.02 0.00 -1.25 0.00 0.00 55.69 55.07 1ha3 s MET 135 Cb -0.19 -3.95 0.04 0.00 1.25 0.00 0.00 34.83 31.98 1ha3 s MET 135 CO -0.11 -1.49 0.77 1.21 1.05 0.00 0.00 175.02 176.45 1ha3 s ASN 136 N 2.84 5.23 -1.79 1.11 2.47 -0.01 -0.99 114.94 123.81 1ha3 s ASN 136 Ca 0.49 -0.13 -0.00 0.00 0.42 0.00 0.00 52.86 53.64 1ha3 s ASN 136 Cb -0.08 -0.71 0.00 0.00 -1.45 0.00 0.00 41.25 39.00 1ha3 s ASN 136 CO 0.31 -1.17 0.00 0.29 -3.72 0.00 0.00 177.10 172.81 1ha3 n LYS 137 N -2.32 -1.69 0.22 0.43 5.02 -0.99 -0.43 118.16 118.39 1ha3 n LYS 137 Ca 0.09 1.01 0.15 0.00 -2.02 0.00 0.00 58.31 57.55 1ha3 n LYS 137 Cb 0.60 -5.68 0.68 0.00 -0.02 0.00 0.00 35.03 30.61 1ha3 n LYS 137 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1ha3 h VAL 138 N -0.00 0.00 0.00 -0.18 -1.51 -1.71 -0.75 116.25 112.10 1ha3 h VAL 138 Ca -0.50 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 1ha3 h VAL 138 Cb 1.37 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 1ha3 h VAL 138 CO 0.59 0.00 0.00 -2.24 -1.23 0.00 0.00 177.57 174.69 1ha3 h ASP 139 N 0.00 0.00 0.09 4.19 2.03 -1.89 -0.48 116.42 120.36 1ha3 h ASP 139 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ha3 h ASP 139 Cb 0.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.82 1ha3 h ASP 139 CO 0.00 0.00 -0.64 0.23 -1.03 0.00 0.00 179.24 177.80 1ha3 n MET 140 N -2.72 0.56 -3.99 4.15 2.81 -0.29 -4.86 117.12 112.78 1ha3 n MET 140 Ca -0.01 -0.44 -0.30 0.00 -1.81 0.00 0.00 57.70 55.15 1ha3 n MET 140 Cb 0.15 -1.49 -0.16 0.00 -0.71 0.00 0.00 33.22 31.00 1ha3 n MET 140 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1ha3 s VAL 141 N -2.74 1.47 -1.13 2.03 1.01 -0.19 -4.97 120.40 115.88 1ha3 s VAL 141 Ca 0.15 -0.61 0.11 0.00 0.00 0.00 0.00 61.98 61.62 1ha3 s VAL 141 Cb 0.17 -1.42 0.23 0.00 0.00 0.00 0.00 36.38 35.36 1ha3 s VAL 141 CO 0.69 0.40 1.10 -0.90 0.00 0.00 0.00 175.10 176.40 1ha3 n ASP 142 N 4.80 2.56 -4.38 3.32 5.75 -1.26 -4.86 116.55 122.47 1ha3 n ASP 142 Ca -0.16 -1.79 -0.45 0.00 -0.01 0.00 0.00 54.79 52.38 1ha3 n ASP 142 Cb 0.50 -0.14 -0.04 0.00 -1.03 0.00 0.00 41.12 40.40 1ha3 n ASP 142 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ha3 s ASP 143 N -0.98 6.20 0.57 -1.12 2.15 -1.26 -4.92 116.67 117.31 1ha3 s ASP 143 Ca 0.20 -1.46 0.31 0.00 0.43 0.00 0.00 52.55 52.02 1ha3 s ASP 143 Cb 0.11 -2.31 1.45 0.00 -0.30 0.00 0.00 42.92 41.87 1ha3 s ASP 143 CO 0.15 -1.12 1.83 -0.65 -0.17 0.00 0.00 175.17 175.22 1ha3 h PRO 144 N 9.17 0.00 -0.21 4.34 0.11 -2.00 0.20 132.00 143.61 1ha3 h PRO 144 Ca -0.28 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.68 1ha3 h PRO 144 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ha3 h PRO 144 CO 1.10 0.00 -0.45 1.49 -0.21 0.00 0.00 178.00 179.93 1ha3 h GLU 145 N 0.00 0.69 -0.54 1.05 4.81 -2.00 -2.44 114.58 116.16 1ha3 h GLU 145 Ca 0.35 -0.45 -0.10 0.00 -0.13 0.00 0.00 59.36 59.03 1ha3 h GLU 145 Cb 1.63 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 31.05 1ha3 h GLU 145 CO -0.00 1.07 -0.06 1.25 -0.73 0.00 0.00 179.01 180.53 1ha3 h LEU 146 N 0.39 0.98 -0.66 1.64 5.85 -1.39 -1.92 115.31 120.20 1ha3 h LEU 146 Ca 0.00 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.41 1ha3 h LEU 146 Cb 1.06 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 1ha3 h LEU 146 CO 0.10 1.08 0.42 -0.07 -0.34 0.00 0.00 178.44 179.64 1ha3 h LEU 147 N 0.86 0.70 -1.02 2.25 3.38 -1.41 -0.39 115.31 119.69 1ha3 h LEU 147 Ca 0.14 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1ha3 h LEU 147 Cb 0.62 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1ha3 h LEU 147 CO 0.04 0.50 -0.18 0.44 0.09 0.00 0.00 178.44 179.33 1ha3 h ASP 148 N 0.84 0.49 -0.50 -0.43 3.32 -1.24 -1.97 116.42 116.93 1ha3 h ASP 148 Ca 0.26 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.07 1ha3 h ASP 148 Cb -0.02 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1ha3 h ASP 148 CO -0.09 0.68 -0.06 0.25 -1.72 0.00 0.00 179.24 178.31 1ha3 h LEU 149 N 0.45 0.92 -0.42 1.55 5.85 -0.53 -1.42 115.31 121.72 1ha3 h LEU 149 Ca 0.08 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 1ha3 h LEU 149 Cb 0.57 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1ha3 h LEU 149 CO 0.04 1.04 0.15 0.58 -0.34 0.00 0.00 178.44 179.91 1ha3 h VAL 150 N 0.79 1.21 -0.69 1.05 2.07 -0.84 -0.86 116.25 118.97 1ha3 h VAL 150 Ca 0.14 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1ha3 h VAL 150 Cb 0.60 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1ha3 h VAL 150 CO 0.04 0.24 0.44 -0.08 0.02 0.00 0.00 177.57 178.22 1ha3 h GLU 151 N 0.53 0.92 -0.55 1.57 4.81 -1.21 -0.88 114.58 119.77 1ha3 h GLU 151 Ca 0.14 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1ha3 h GLU 151 Cb 0.22 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1ha3 h GLU 151 CO -0.01 0.63 0.33 1.98 -0.73 0.00 0.00 179.01 181.21 1ha3 h MET 152 N 0.94 0.75 -0.66 1.92 4.05 -0.95 -0.44 114.93 120.54 1ha3 h MET 152 Ca 0.25 -0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.54 1ha3 h MET 152 Cb -0.07 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.54 1ha3 h MET 152 CO -0.05 0.55 0.16 0.93 0.23 0.00 0.00 176.91 178.72 1ha3 h GLU 153 N 0.74 1.04 -0.33 0.39 5.08 -0.71 -0.76 114.58 120.03 1ha3 h GLU 153 Ca 0.20 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 1ha3 h GLU 153 Cb -0.00 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1ha3 h GLU 153 CO -0.04 0.93 -0.14 0.28 -1.00 0.00 0.00 179.01 179.04 1ha3 h VAL 154 N 0.99 1.29 -0.80 3.13 2.07 -0.86 -0.54 116.25 121.53 1ha3 h VAL 154 Ca 0.21 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.45 1ha3 h VAL 154 Cb 0.35 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 1ha3 h VAL 154 CO 0.00 0.40 0.33 0.03 0.02 0.00 0.00 177.57 178.35 1ha3 h ARG 155 N 0.45 1.19 -0.55 1.57 3.08 -0.89 -1.00 114.38 118.24 1ha3 h ARG 155 Ca 0.08 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 1ha3 h ARG 155 Cb 0.66 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1ha3 h ARG 155 CO 0.04 0.96 0.07 -0.44 -1.07 0.00 0.00 179.97 179.53 1ha3 h ASP 156 N 1.16 0.89 -0.44 7.04 3.32 -1.00 -1.64 116.42 125.75 1ha3 h ASP 156 Ca 0.27 -0.27 0.03 0.00 0.02 0.00 0.00 57.03 57.08 1ha3 h ASP 156 Cb 0.20 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 1ha3 h ASP 156 CO -0.02 0.94 0.22 0.25 -1.72 0.00 0.00 179.24 178.91 1ha3 h LEU 157 N 0.81 0.33 -0.49 1.55 6.46 -0.66 -1.03 115.31 122.28 1ha3 h LEU 157 Ca 0.16 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.93 1ha3 h LEU 157 Cb 0.44 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 1ha3 h LEU 157 CO 0.02 0.24 0.24 -0.07 -0.62 0.00 0.00 178.44 178.24 1ha3 h LEU 158 N 0.45 0.63 -1.13 2.25 3.38 -0.97 -2.59 115.31 117.33 1ha3 h LEU 158 Ca 0.19 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1ha3 h LEU 158 Cb 0.08 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1ha3 h LEU 158 CO -0.13 0.58 0.59 0.78 0.09 0.00 0.00 178.44 180.36 1ha3 h ASN 159 N 0.64 0.98 -0.86 -0.43 2.35 -0.76 -0.48 115.58 117.02 1ha3 h ASN 159 Ca 0.17 -0.01 0.08 0.00 -0.55 0.00 0.00 56.30 55.98 1ha3 h ASN 159 Cb 0.11 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 38.19 1ha3 h ASN 159 CO -0.02 0.68 0.56 1.56 -1.65 0.00 0.00 177.43 178.56 1ha3 h GLN 160 N 1.14 0.89 -0.59 0.81 4.20 -0.80 -0.87 115.11 119.89 1ha3 h GLN 160 Ca 0.35 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1ha3 h GLN 160 Cb -0.01 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.57 1ha3 h GLN 160 CO -0.10 0.59 0.00 0.66 -0.67 0.00 0.00 178.83 179.31 1ha3 n TYR 161 N -4.50 0.90 -1.94 2.96 4.01 -0.90 -4.94 117.16 112.74 1ha3 n TYR 161 Ca 0.14 -0.41 -0.07 0.00 -0.16 0.00 0.00 57.90 57.39 1ha3 n TYR 161 Cb 0.25 -0.06 -0.01 0.00 -0.31 0.00 0.00 39.34 39.21 1ha3 n TYR 161 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1ha3 n GLU 162 N 1.09 -0.54 -3.45 -0.72 1.02 -0.33 -4.98 120.64 112.73 1ha3 n GLU 162 Ca 0.20 0.42 -0.25 0.00 -0.02 0.00 0.00 57.16 57.51 1ha3 n GLU 162 Cb 0.56 -4.29 -0.02 0.00 -0.02 0.00 0.00 31.44 27.67 1ha3 n GLU 162 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1ha3 s PHE 163 N -2.33 3.49 -1.26 -0.32 0.08 -0.24 -4.96 117.98 112.45 1ha3 s PHE 163 Ca 0.00 0.38 -0.16 0.00 0.12 0.00 0.00 56.93 57.27 1ha3 s PHE 163 Cb 0.00 -1.91 -0.02 0.00 -0.57 0.00 0.00 43.02 40.52 1ha3 s PHE 163 CO 0.00 0.19 2.17 -0.35 -0.10 0.00 0.00 175.22 177.12 1ha3 n PRO 164 N -1.43 2.48 -0.36 0.24 -0.04 -1.26 -3.71 135.00 130.92 1ha3 n PRO 164 Ca -0.04 -2.36 0.28 0.00 -0.04 0.00 0.00 63.50 61.34 1ha3 n PRO 164 Cb 0.55 -3.16 0.57 0.00 -0.04 0.00 0.00 33.50 31.42 1ha3 n PRO 164 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1ha3 h GLY 165 N 10.95 1.17 1.22 0.55 0.00 -1.81 0.85 103.07 116.00 1ha3 h GLY 165 Ca 0.54 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1ha3 h GLY 165 CO 1.90 -0.21 -0.05 1.22 0.00 0.00 0.00 176.54 179.40 1ha3 n ASP 166 N -4.62 0.22 -0.02 0.19 8.00 -1.26 -3.96 116.55 115.10 1ha3 n ASP 166 Ca 0.29 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1ha3 n ASP 166 Cb 1.07 -0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.94 1ha3 n ASP 166 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ha3 n GLU 167 N -1.12 1.40 -1.80 -1.24 1.02 0.24 -5.04 120.64 114.10 1ha3 n GLU 167 Ca 0.15 -0.04 -0.39 0.00 -0.02 0.00 0.00 57.16 56.85 1ha3 n GLU 167 Cb 0.25 -1.21 0.03 0.00 -0.02 0.00 0.00 31.44 30.49 1ha3 n GLU 167 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1ha3 s VAL 168 N -2.42 2.10 0.36 2.62 -7.23 -0.88 -4.96 120.40 109.99 1ha3 s VAL 168 Ca -0.04 0.08 -0.26 0.00 -1.81 0.00 0.00 61.98 59.95 1ha3 s VAL 168 Cb 0.04 -3.04 -0.09 0.00 0.56 0.00 0.00 36.38 33.85 1ha3 s VAL 168 CO 0.36 0.00 1.10 -2.84 -0.31 0.00 0.00 175.10 173.41 1ha3 s PRO 169 N -2.70 4.27 -0.27 4.82 0.02 -1.26 -4.92 135.00 134.97 1ha3 s PRO 169 Ca 0.67 1.71 -0.00 0.00 0.02 0.00 0.00 61.00 63.39 1ha3 s PRO 169 Cb -0.42 -2.78 0.08 0.00 0.02 0.00 0.00 34.50 31.40 1ha3 s PRO 169 CO 0.51 -0.09 0.04 0.08 -0.33 0.00 0.00 177.00 177.21 1ha3 s VAL 170 N -1.43 1.14 -0.15 3.83 1.01 -1.26 -1.39 120.40 122.15 1ha3 s VAL 170 Ca 0.53 -1.28 -0.14 0.00 0.00 0.00 0.00 61.98 61.10 1ha3 s VAL 170 Cb -0.28 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 1ha3 s VAL 170 CO 0.35 -0.41 0.30 -0.63 0.00 0.00 0.00 175.10 174.71 1ha3 s ILE 171 N 1.53 5.30 -0.23 2.22 1.09 0.09 -4.92 121.20 126.27 1ha3 s ILE 171 Ca 0.03 0.56 -0.09 0.00 -1.10 0.00 0.00 60.65 60.05 1ha3 s ILE 171 Cb -0.18 -3.63 -0.04 0.00 -1.06 0.00 0.00 42.46 37.55 1ha3 s ILE 171 CO -0.14 0.41 0.11 -0.13 -0.10 0.00 0.00 174.94 175.08 1ha3 s ARG 172 N 0.32 3.92 0.00 2.79 0.52 -1.26 0.52 118.95 125.75 1ha3 s ARG 172 Ca 0.17 -0.36 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 1ha3 s ARG 172 Cb -0.13 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 31.96 1ha3 s ARG 172 CO 0.04 0.04 0.00 0.41 0.02 0.00 0.00 175.30 175.82 1ha3 n GLY 173 N 4.27 1.98 2.64 -3.53 0.00 -0.16 -4.93 105.19 105.47 1ha3 n GLY 173 Ca -0.16 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 1ha3 n GLY 173 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ha3 s SER 174 N 0.63 2.89 0.29 1.61 0.15 -1.26 -2.34 113.70 115.68 1ha3 s SER 174 Ca 0.00 -0.90 -0.00 0.00 0.70 0.00 0.00 55.95 55.75 1ha3 s SER 174 Cb 0.00 -0.42 0.44 0.00 -1.71 0.00 0.00 66.02 64.33 1ha3 s SER 174 CO 0.00 -0.36 1.83 0.00 1.20 0.00 0.00 173.24 175.91 1ha3 h ALA 175 N 8.34 1.24 0.44 5.45 0.00 -1.94 -2.64 119.26 130.15 1ha3 h ALA 175 Ca -0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1ha3 h ALA 175 Cb 1.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ha3 h ALA 175 CO 0.35 0.52 -0.21 1.25 0.00 0.00 0.00 179.25 181.16 1ha3 h LEU 176 N 0.74 -0.50 -1.05 0.00 5.85 -1.95 -1.72 115.31 116.68 1ha3 h LEU 176 Ca 0.16 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1ha3 h LEU 176 Cb 0.30 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1ha3 h LEU 176 CO 0.00 -0.27 0.36 -0.07 -0.34 0.00 0.00 178.44 178.12 1ha3 h LEU 177 N -0.70 0.93 -0.45 2.25 3.38 -1.98 -0.47 115.31 118.27 1ha3 h LEU 177 Ca -0.06 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1ha3 h LEU 177 Cb 0.51 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1ha3 h LEU 177 CO 0.10 0.78 0.07 0.00 0.09 0.00 0.00 178.44 179.48 1ha3 h ALA 178 N 1.36 0.60 -0.64 1.53 0.00 -1.46 -1.24 119.26 119.42 1ha3 h ALA 178 Ca 0.25 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1ha3 h ALA 178 Cb 0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1ha3 h ALA 178 CO -0.03 0.33 0.14 1.25 0.00 0.00 0.00 179.25 180.93 1ha3 h LEU 179 N 0.61 0.96 -0.40 0.00 5.85 -0.98 -2.20 115.31 119.15 1ha3 h LEU 179 Ca 0.14 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1ha3 h LEU 179 Cb 0.39 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1ha3 h LEU 179 CO 0.01 0.94 0.25 -0.08 -0.34 0.00 0.00 178.44 179.22 1ha3 h GLU 180 N 0.97 0.49 -0.77 1.25 4.81 -0.77 -0.80 114.58 119.77 1ha3 h GLU 180 Ca 0.20 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1ha3 h GLU 180 Cb 0.36 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1ha3 h GLU 180 CO 0.00 0.32 0.47 0.37 -0.73 0.00 0.00 179.01 179.45 1ha3 h GLN 181 N 0.50 1.04 0.00 1.92 5.75 -0.88 -1.79 115.11 121.65 1ha3 h GLN 181 Ca 0.15 -0.09 -0.10 0.00 -0.15 0.00 0.00 58.65 58.47 1ha3 h GLN 181 Cb -0.02 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.29 1ha3 h GLN 181 CO -0.06 0.72 -0.47 0.52 -2.65 0.00 0.00 178.83 176.90 1ha3 h MET 182 N 1.05 0.00 -0.29 1.69 2.86 -0.99 0.32 114.93 119.57 1ha3 h MET 182 Ca 0.28 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.74 1ha3 h MET 182 Cb -0.05 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 1ha3 h MET 182 CO -0.05 0.47 -0.51 0.45 1.06 0.00 0.00 176.91 178.32 1ha3 h HIS 183 N 0.00 1.02 -0.23 -0.22 3.86 -0.65 -1.29 115.15 117.64 1ha3 h HIS 183 Ca -0.00 -0.35 -0.17 0.00 -1.16 0.00 0.00 60.37 58.68 1ha3 h HIS 183 Cb 0.84 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.11 1ha3 h HIS 183 CO 0.00 1.16 -0.52 0.00 0.86 0.00 0.00 177.93 179.43 1ha3 h ARG 184 N 0.64 0.77 -2.46 2.45 3.08 -1.09 -3.41 114.38 114.36 1ha3 h ARG 184 Ca 0.02 -0.51 -0.52 0.00 0.07 0.00 0.00 59.98 59.04 1ha3 h ARG 184 Cb 1.10 0.07 -0.37 0.00 0.08 0.00 0.00 29.97 30.85 1ha3 h ARG 184 CO 0.11 1.14 -0.80 1.21 -1.07 0.00 0.00 179.97 180.56 1ha3 s ASN 185 N -6.84 2.62 0.32 7.04 2.47 0.08 -5.00 114.94 115.64 1ha3 s ASN 185 Ca -0.11 -1.88 0.21 0.00 0.42 0.00 0.00 52.86 51.49 1ha3 s ASN 185 Cb 0.09 -0.16 1.13 0.00 -1.45 0.00 0.00 41.25 40.86 1ha3 s ASN 185 CO 0.87 -0.32 1.62 -2.65 -3.72 0.00 0.00 177.10 172.90 1ha3 n PRO 186 N 4.30 0.13 0.00 0.43 -0.02 -0.49 -1.46 135.00 137.90 1ha3 n PRO 186 Ca 0.09 0.63 0.13 0.00 -2.02 0.00 0.00 63.50 62.33 1ha3 n PRO 186 Cb 0.40 -1.97 0.33 0.00 -0.02 0.00 0.00 33.50 32.23 1ha3 n PRO 186 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ha3 n LYS 187 N -2.24 1.38 -1.67 -0.52 5.02 -1.26 -4.27 118.16 114.61 1ha3 n LYS 187 Ca -0.01 -0.92 -0.54 0.00 -2.02 0.00 0.00 58.31 54.81 1ha3 n LYS 187 Cb 0.06 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.53 1ha3 n LYS 187 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1ha3 n THR 188 N -0.01 0.21 -3.93 -0.18 -1.04 -0.53 -4.95 114.28 103.85 1ha3 n THR 188 Ca 0.14 -0.04 -0.22 0.00 -2.04 0.00 0.00 64.05 61.89 1ha3 n THR 188 Cb 0.40 -1.15 -0.05 0.00 -1.82 0.00 0.00 70.33 67.71 1ha3 n THR 188 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1ha3 s ARG 189 N 2.45 2.55 0.30 -2.82 0.52 -1.26 -4.77 118.95 115.91 1ha3 s ARG 189 Ca 0.92 -1.43 -0.29 0.00 -0.52 0.00 0.00 55.73 54.41 1ha3 s ARG 189 Cb -0.98 -2.33 -0.13 0.00 0.52 0.00 0.00 34.95 32.03 1ha3 s ARG 189 CO 0.57 0.08 1.25 -2.13 0.02 0.00 0.00 175.30 175.09 1ha3 n ARG 190 N -1.28 1.91 -0.01 3.54 0.63 -1.26 -2.16 116.66 118.04 1ha3 n ARG 190 Ca -0.02 0.67 0.00 0.00 -0.92 0.00 0.00 57.85 57.58 1ha3 n ARG 190 Cb 0.61 -2.22 0.00 0.00 0.45 0.00 0.00 32.46 31.29 1ha3 n ARG 190 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ha3 n GLY 191 N 1.19 0.99 0.08 5.14 0.00 -1.26 -4.91 105.19 106.42 1ha3 n GLY 191 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 1ha3 n GLY 191 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ha3 n GLU 192 N -2.00 0.64 -3.81 1.61 1.02 -0.92 -4.92 120.64 112.27 1ha3 n GLU 192 Ca 0.00 0.09 -0.15 0.00 -0.02 0.00 0.00 57.16 57.08 1ha3 n GLU 192 Cb 0.00 -1.69 -0.16 0.00 -0.02 0.00 0.00 31.44 29.57 1ha3 n GLU 192 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1ha3 s ASN 193 N -5.49 0.14 0.40 1.62 3.84 -1.26 -5.05 114.94 109.14 1ha3 s ASN 193 Ca -0.06 0.02 0.09 0.00 0.21 0.00 0.00 52.86 53.13 1ha3 s ASN 193 Cb 0.09 -0.10 0.87 0.00 -0.55 0.00 0.00 41.25 41.57 1ha3 s ASN 193 CO 0.83 -0.11 2.01 1.05 -2.79 0.00 0.00 177.10 178.08 1ha3 h GLU 194 N 7.21 0.56 0.10 0.43 4.11 -1.99 -0.86 114.58 124.15 1ha3 h GLU 194 Ca -0.44 -0.03 -0.26 0.00 0.07 0.00 0.00 59.36 58.70 1ha3 h GLU 194 Cb 1.13 -0.13 0.03 0.00 0.50 0.00 0.00 28.75 30.28 1ha3 h GLU 194 CO 0.48 0.37 -1.07 -1.49 0.07 0.00 0.00 179.01 177.38 1ha3 h TRP 195 N 0.57 0.88 -0.08 2.06 4.06 -1.94 -2.88 115.95 118.63 1ha3 h TRP 195 Ca 0.24 -0.55 -0.04 0.00 2.06 0.00 0.00 58.89 60.60 1ha3 h TRP 195 Cb 0.21 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 28.29 1ha3 h TRP 195 CO -0.00 1.40 -0.13 0.28 -3.56 0.00 0.00 178.44 176.42 1ha3 h VAL 196 N 0.12 1.14 0.00 1.49 2.07 -1.82 -1.44 116.25 117.81 1ha3 h VAL 196 Ca -0.16 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 66.64 1ha3 h VAL 196 Cb 1.77 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 1ha3 h VAL 196 CO 0.20 0.20 -0.35 0.44 0.02 0.00 0.00 177.57 178.08 1ha3 h ASP 197 N 0.12 0.00 0.71 0.57 3.32 -1.09 -2.03 116.42 118.02 1ha3 h ASP 197 Ca 0.02 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 1ha3 h ASP 197 Cb 0.32 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1ha3 h ASP 197 CO 0.02 0.35 -0.51 0.11 -1.72 0.00 0.00 179.24 177.49 1ha3 h LYS 198 N 0.00 0.00 -0.25 3.56 1.79 -1.04 -0.46 116.57 120.17 1ha3 h LYS 198 Ca -0.00 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.30 1ha3 h LYS 198 Cb 0.72 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1ha3 h LYS 198 CO 0.04 0.51 -0.51 0.82 -1.08 0.00 0.00 179.45 179.24 1ha3 h ILE 199 N 0.00 1.30 -0.11 1.86 1.08 -1.20 -1.71 117.51 118.73 1ha3 h ILE 199 Ca -0.01 -1.72 -0.08 0.00 -0.39 0.00 0.00 64.86 62.67 1ha3 h ILE 199 Cb 1.00 1.64 -0.01 0.00 -3.07 0.00 0.00 36.82 36.38 1ha3 h ILE 199 CO 0.07 0.55 -0.29 -0.50 -0.69 0.00 0.00 178.15 177.28 1ha3 h TRP 200 N 0.56 0.22 -0.58 1.37 4.06 -0.83 -0.13 115.95 120.62 1ha3 h TRP 200 Ca 0.02 -0.04 -0.08 0.00 2.06 0.00 0.00 58.89 60.85 1ha3 h TRP 200 Cb 1.08 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 29.16 1ha3 h TRP 200 CO 0.06 0.48 0.05 0.93 -3.56 0.00 0.00 178.44 176.39 1ha3 h GLU 201 N 0.18 0.97 -0.24 0.49 5.08 -0.63 0.23 114.58 120.65 1ha3 h GLU 201 Ca 0.03 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.07 1ha3 h GLU 201 Cb 0.61 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1ha3 h GLU 201 CO 0.04 0.93 -0.06 1.25 -1.00 0.00 0.00 179.01 180.18 1ha3 h LEU 202 N 0.90 0.46 -0.94 1.33 5.85 -0.56 -1.97 115.31 120.38 1ha3 h LEU 202 Ca 0.17 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1ha3 h LEU 202 Cb 0.46 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1ha3 h LEU 202 CO 0.02 0.72 0.60 -0.07 -0.34 0.00 0.00 178.44 179.37 1ha3 h LEU 203 N 0.20 1.11 -0.83 2.25 3.38 -0.74 -0.76 115.31 119.91 1ha3 h LEU 203 Ca 0.06 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1ha3 h LEU 203 Cb 0.52 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1ha3 h LEU 203 CO 0.02 0.82 -0.02 0.44 0.09 0.00 0.00 178.44 179.80 1ha3 h ASP 204 N 1.29 0.83 -0.60 -0.43 3.32 -0.85 -1.24 116.42 118.74 1ha3 h ASP 204 Ca 0.34 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 1ha3 h ASP 204 Cb -0.11 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.20 1ha3 h ASP 204 CO -0.07 0.90 0.04 0.00 -1.72 0.00 0.00 179.24 178.39 1ha3 h ALA 205 N 1.19 0.80 -0.59 3.45 0.00 -0.69 -0.90 119.26 122.52 1ha3 h ALA 205 Ca 0.15 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1ha3 h ALA 205 Cb 0.50 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1ha3 h ALA 205 CO 0.03 0.60 0.11 0.82 0.00 0.00 0.00 179.25 180.81 1ha3 h ILE 206 N 0.92 1.25 -0.50 0.00 2.04 -0.93 0.42 117.51 120.72 1ha3 h ILE 206 Ca 0.17 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1ha3 h ILE 206 Cb 0.50 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1ha3 h ILE 206 CO 0.02 0.35 0.25 0.44 0.00 0.00 0.00 178.15 179.21 1ha3 h ASP 207 N 0.86 0.64 0.33 1.72 3.32 -0.92 -2.93 116.42 119.45 1ha3 h ASP 207 Ca 0.18 -0.12 -0.33 0.00 0.02 0.00 0.00 57.03 56.78 1ha3 h ASP 207 Cb 0.40 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1ha3 h ASP 207 CO 0.01 0.58 -1.74 -0.08 -1.72 0.00 0.00 179.24 176.29 1ha3 h GLU 208 N 0.66 0.23 0.18 3.56 4.57 -1.02 -3.41 114.58 119.34 1ha3 h GLU 208 Ca 0.17 -0.39 -0.33 0.00 -1.18 0.00 0.00 59.36 57.63 1ha3 h GLU 208 Cb 0.10 0.14 0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1ha3 h GLU 208 CO -0.02 1.06 -1.61 -0.92 -1.18 0.00 0.00 179.01 176.33 1ha3 h TYR 209 N 0.06 0.68 -3.36 0.92 3.20 -0.27 -3.43 116.97 114.79 1ha3 h TYR 209 Ca -0.32 -0.50 -0.64 0.00 3.14 0.00 0.00 58.73 60.42 1ha3 h TYR 209 Cb 2.03 -0.03 -0.14 0.00 1.54 0.00 0.00 36.73 40.13 1ha3 h TYR 209 CO 0.06 1.55 0.36 0.42 -1.64 0.00 0.00 178.16 178.90 1ha3 s ILE 210 N -2.60 4.60 0.52 1.81 1.01 -1.11 -5.03 121.20 120.42 1ha3 s ILE 210 Ca -0.12 0.13 -0.18 0.00 0.00 0.00 0.00 60.65 60.48 1ha3 s ILE 210 Cb 0.06 -4.40 -0.07 0.00 0.01 0.00 0.00 42.46 38.06 1ha3 s ILE 210 CO 0.87 -0.90 1.04 -2.16 0.00 0.00 0.00 174.94 173.79 1ha3 s PRO 211 N 3.38 3.67 -0.26 2.79 0.04 -1.26 -4.77 135.00 138.59 1ha3 s PRO 211 Ca 0.26 1.25 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 1ha3 s PRO 211 Cb -0.14 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.32 1ha3 s PRO 211 CO 0.18 -0.53 1.29 0.99 0.04 0.00 0.00 177.00 178.98 1ha3 s THR 212 N -2.22 4.18 0.99 1.26 2.01 -1.26 -4.99 115.64 115.61 1ha3 s THR 212 Ca 0.65 1.36 -0.12 0.00 0.31 0.00 0.00 61.69 63.89 1ha3 s THR 212 Cb -0.15 -4.11 0.18 0.00 0.01 0.00 0.00 72.50 68.44 1ha3 s THR 212 CO 0.27 -0.37 1.08 -2.16 -0.69 0.00 0.00 174.62 172.75 1ha3 s PRO 213 N 3.98 0.47 0.12 4.92 0.04 -1.26 -4.98 135.00 138.29 1ha3 s PRO 213 Ca 0.56 0.75 -0.30 0.00 0.04 0.00 0.00 61.00 62.05 1ha3 s PRO 213 Cb -0.18 -1.72 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 1ha3 s PRO 213 CO 0.20 -2.76 1.06 0.14 0.04 0.00 0.00 177.00 175.69 1ha3 s VAL 214 N -2.83 4.18 -0.18 -0.36 -7.23 -1.26 -5.02 120.40 107.69 1ha3 s VAL 214 Ca 0.65 1.77 -0.05 0.00 -1.81 0.00 0.00 61.98 62.55 1ha3 s VAL 214 Cb -0.20 -4.13 -0.03 0.00 0.56 0.00 0.00 36.38 32.58 1ha3 s VAL 214 CO 0.59 0.25 -0.01 -0.13 -0.31 0.00 0.00 175.10 175.49 1ha3 s ARG 215 N 0.09 3.66 -1.28 4.82 1.81 -1.26 -5.03 118.95 121.76 1ha3 s ARG 215 Ca 0.50 -0.51 -0.10 0.00 -1.72 0.00 0.00 55.73 53.90 1ha3 s ARG 215 Cb -0.27 -3.03 0.16 0.00 -0.45 0.00 0.00 34.95 31.37 1ha3 s ARG 215 CO 0.32 0.11 1.82 -0.25 -0.68 0.00 0.00 175.30 176.61 1ha3 n ASP 216 N 3.95 5.07 0.20 0.23 8.00 -1.26 -4.74 116.55 128.01 1ha3 n ASP 216 Ca -0.17 -3.08 0.14 0.00 0.71 0.00 0.00 54.79 52.38 1ha3 n ASP 216 Cb 0.52 -1.50 0.40 0.00 -0.02 0.00 0.00 41.12 40.52 1ha3 n ASP 216 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1ha3 h VAL 217 N 3.91 0.00 0.00 2.53 -1.51 -1.91 0.27 116.25 119.53 1ha3 h VAL 217 Ca 0.39 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 1ha3 h VAL 217 Cb 0.67 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 1ha3 h VAL 217 CO 1.57 0.00 -0.12 0.47 -1.23 0.00 0.00 177.57 178.26 1ha3 n ASP 218 N -2.81 0.28 -4.92 4.19 8.00 -1.26 -3.92 116.55 116.11 1ha3 n ASP 218 Ca 0.03 0.36 -0.27 0.00 0.71 0.00 0.00 54.79 55.62 1ha3 n ASP 218 Cb 0.41 -0.39 0.06 0.00 -0.02 0.00 0.00 41.12 41.18 1ha3 n ASP 218 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1ha3 s LYS 219 N -3.03 2.43 0.31 -1.24 1.02 -1.22 -4.93 119.74 113.07 1ha3 s LYS 219 Ca 0.12 -0.03 -0.30 0.00 0.02 0.00 0.00 55.97 55.79 1ha3 s LYS 219 Cb 0.17 -2.14 -0.11 0.00 -0.52 0.00 0.00 37.83 35.23 1ha3 s LYS 219 CO 0.58 -1.14 1.56 -2.14 -0.92 0.00 0.00 175.35 173.29 1ha3 s PRO 220 N -5.26 4.13 0.28 -1.68 0.02 -1.26 -3.04 135.00 128.20 1ha3 s PRO 220 Ca 0.59 2.55 -0.30 0.00 0.02 0.00 0.00 61.00 63.86 1ha3 s PRO 220 Cb -0.11 -3.02 -0.13 0.00 0.02 0.00 0.00 34.50 31.26 1ha3 s PRO 220 CO 0.46 -0.59 1.28 0.34 -0.33 0.00 0.00 177.00 178.16 1ha3 n PHE 221 N 1.85 1.98 -3.64 6.54 7.35 -1.26 -4.14 117.46 126.14 1ha3 n PHE 221 Ca 0.07 0.54 -0.06 0.00 -0.76 0.00 0.00 57.45 57.23 1ha3 n PHE 221 Cb 0.38 -2.39 -0.07 0.00 0.35 0.00 0.00 39.48 37.75 1ha3 n PHE 221 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1ha3 s LEU 222 N -0.19 -0.91 -0.13 -2.13 0.20 -0.78 -1.53 118.68 113.21 1ha3 s LEU 222 Ca 0.62 1.44 -0.04 0.00 0.69 0.00 0.00 54.13 56.85 1ha3 s LEU 222 Cb -0.64 2.31 0.06 0.00 -0.43 0.00 0.00 46.19 47.49 1ha3 s LEU 222 CO 0.56 -0.23 0.15 -0.32 -0.29 0.00 0.00 176.35 176.22 1ha3 s MET 223 N 1.67 0.07 0.21 1.98 -2.45 0.06 -1.19 119.30 119.65 1ha3 s MET 223 Ca -0.10 0.32 -0.30 0.00 -1.25 0.00 0.00 55.69 54.37 1ha3 s MET 223 Cb -0.05 -0.85 -0.08 0.00 1.25 0.00 0.00 34.83 35.10 1ha3 s MET 223 CO -0.19 -0.47 1.17 -1.25 1.05 0.00 0.00 175.02 175.33 1ha3 s PRO 224 N 2.26 4.53 -0.02 4.11 0.04 -1.26 -0.82 135.00 143.83 1ha3 s PRO 224 Ca 0.04 1.86 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 1ha3 s PRO 224 Cb -0.14 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 1ha3 s PRO 224 CO -0.08 -0.01 1.09 0.08 0.04 0.00 0.00 177.00 178.12 1ha3 s VAL 225 N -0.35 4.52 -0.26 -0.36 1.01 0.64 -4.32 120.40 121.29 1ha3 s VAL 225 Ca 0.50 1.81 -0.15 0.00 0.00 0.00 0.00 61.98 64.14 1ha3 s VAL 225 Cb -0.32 -4.16 -0.13 0.00 0.00 0.00 0.00 36.38 31.77 1ha3 s VAL 225 CO 0.38 0.08 -0.26 1.21 0.00 0.00 0.00 175.10 176.51 1ha3 n GLU 226 N 4.45 0.58 -4.11 2.72 2.13 0.60 -1.60 120.64 125.41 1ha3 n GLU 226 Ca 0.08 0.31 -0.09 0.00 0.66 0.00 0.00 57.16 58.13 1ha3 n GLU 226 Cb 0.48 -1.53 -0.10 0.00 0.27 0.00 0.00 31.44 30.56 1ha3 n GLU 226 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ha3 s ASP 227 N -7.24 0.37 -0.03 4.31 1.01 -1.21 -4.60 116.67 109.26 1ha3 s ASP 227 Ca -0.36 -1.10 -0.00 0.00 0.71 0.00 0.00 52.55 51.79 1ha3 s ASP 227 Cb 0.12 0.26 0.03 0.00 1.01 0.00 0.00 42.92 44.35 1ha3 s ASP 227 CO 0.50 -0.68 0.02 -0.69 0.21 0.00 0.00 175.17 174.52 1ha3 s VAL 228 N -3.99 0.09 0.34 -1.27 1.01 -1.26 -0.87 120.40 114.45 1ha3 s VAL 228 Ca 0.17 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.38 1ha3 s VAL 228 Cb 0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 1ha3 s VAL 228 CO -0.03 0.15 0.19 -0.36 0.00 0.00 0.00 175.10 175.05 1ha3 s PHE 229 N 1.34 1.69 -0.13 5.22 0.40 -0.16 -4.98 117.98 121.36 1ha3 s PHE 229 Ca -0.05 -1.45 0.03 0.00 -0.60 0.00 0.00 56.93 54.86 1ha3 s PHE 229 Cb -0.13 -0.88 0.01 0.00 0.51 0.00 0.00 43.02 42.52 1ha3 s PHE 229 CO -0.03 -0.58 -0.23 0.99 0.70 0.00 0.00 175.22 176.08 1ha3 s THR 230 N -3.46 2.06 -0.30 0.64 2.01 -1.26 -0.31 115.64 115.02 1ha3 s THR 230 Ca 0.34 -0.99 -0.09 0.00 0.31 0.00 0.00 61.69 61.25 1ha3 s THR 230 Cb 0.03 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 1ha3 s THR 230 CO 0.20 0.55 0.14 -0.63 -0.69 0.00 0.00 174.62 174.19 1ha3 s ILE 231 N 0.64 4.63 -0.38 1.82 1.01 0.66 -4.98 121.20 124.60 1ha3 s ILE 231 Ca -0.11 -0.30 -0.45 0.00 0.00 0.00 0.00 60.65 59.78 1ha3 s ILE 231 Cb -0.16 -3.31 -0.20 0.00 0.01 0.00 0.00 42.46 38.80 1ha3 s ILE 231 CO 0.02 0.14 1.49 0.41 0.00 0.00 0.00 174.94 177.00 1ha3 n THR 232 N 4.98 0.01 -0.85 2.92 -1.04 -1.26 -0.11 114.28 118.94 1ha3 n THR 232 Ca -0.14 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1ha3 n THR 232 Cb 0.50 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 1ha3 n THR 232 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ha3 n GLY 233 N 3.46 0.24 0.00 3.41 0.00 -1.26 -4.74 105.19 106.30 1ha3 n GLY 233 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1ha3 n GLY 233 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ha3 n ARG 234 N -1.10 5.36 0.00 1.61 1.74 0.85 -5.15 116.66 119.97 1ha3 n ARG 234 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ha3 n ARG 234 Cb 0.18 -0.38 0.00 0.00 -1.02 0.00 0.00 32.46 31.24 1ha3 n ARG 234 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ha3 n GLY 235 N 0.77 -1.85 3.75 -0.13 0.00 -0.75 -4.88 105.19 102.09 1ha3 n GLY 235 Ca 0.00 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 1ha3 n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ha3 s THR 236 N 0.00 4.63 -0.05 2.61 2.01 -1.26 -0.25 115.64 123.33 1ha3 s THR 236 Ca 0.00 1.69 0.05 0.00 0.31 0.00 0.00 61.69 63.74 1ha3 s THR 236 Cb 0.00 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.36 1ha3 s THR 236 CO 0.00 0.39 -0.20 0.54 -0.69 0.00 0.00 174.62 174.66 1ha3 s VAL 237 N -0.28 1.66 -0.15 3.82 0.11 0.58 -1.43 120.40 124.72 1ha3 s VAL 237 Ca 0.39 -0.85 -0.01 0.00 -2.93 0.00 0.00 61.98 58.58 1ha3 s VAL 237 Cb -0.21 -1.42 -0.01 0.00 -1.53 0.00 0.00 36.38 33.20 1ha3 s VAL 237 CO 0.24 0.47 -0.11 0.00 -3.33 0.00 0.00 175.10 172.37 1ha3 s ALA 238 N -0.02 2.65 0.27 1.54 0.00 -0.07 -0.99 121.76 125.15 1ha3 s ALA 238 Ca -0.04 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 51.01 1ha3 s ALA 238 Cb -0.12 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 1ha3 s ALA 238 CO 0.03 0.05 0.30 0.95 0.00 0.00 0.00 175.76 177.09 1ha3 s THR 239 N 0.67 4.49 0.00 0.00 -4.23 -0.05 -0.63 115.64 115.90 1ha3 s THR 239 Ca -0.06 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1ha3 s THR 239 Cb -0.15 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.18 1ha3 s THR 239 CO 0.02 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 1ha3 n GLY 240 N -1.34 -0.86 3.50 3.99 0.00 -0.78 -0.29 105.19 109.40 1ha3 n GLY 240 Ca -0.06 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 1ha3 n GLY 240 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ha3 s ARG 241 N -2.00 3.70 0.03 1.61 3.52 -1.26 -0.29 118.95 124.26 1ha3 s ARG 241 Ca 0.00 -0.48 -0.30 0.00 -0.13 0.00 0.00 55.73 54.82 1ha3 s ARG 241 Cb 0.00 -3.09 -0.08 0.00 -1.56 0.00 0.00 34.95 30.23 1ha3 s ARG 241 CO 0.00 0.10 1.74 0.42 -0.81 0.00 0.00 175.30 176.75 1ha3 s ILE 242 N 0.77 3.14 0.03 4.11 1.01 -0.08 -4.26 121.20 125.92 1ha3 s ILE 242 Ca 0.01 0.41 -0.16 0.00 0.00 0.00 0.00 60.65 60.90 1ha3 s ILE 242 Cb -0.14 -3.26 -0.31 0.00 0.01 0.00 0.00 42.46 38.76 1ha3 s ILE 242 CO 0.02 -0.02 1.06 -0.08 0.00 0.00 0.00 174.94 175.92 1ha3 h GLU 243 N 9.17 0.56 -3.08 2.79 4.81 -1.50 0.16 114.58 127.49 1ha3 h GLU 243 Ca -0.43 -0.80 -0.02 0.00 -0.13 0.00 0.00 59.36 57.97 1ha3 h GLU 243 Cb 1.20 0.28 -0.12 0.00 0.63 0.00 0.00 28.75 30.74 1ha3 h GLU 243 CO 0.94 1.37 0.15 -0.98 -0.73 0.00 0.00 179.01 179.76 1ha3 s ARG 244 N -2.85 1.29 1.87 1.92 1.70 -1.18 -4.64 118.95 117.06 1ha3 s ARG 244 Ca -0.10 -0.57 0.00 0.00 -0.47 0.00 0.00 55.73 54.59 1ha3 s ARG 244 Cb 0.05 0.57 0.00 0.00 -0.57 0.00 0.00 34.95 34.99 1ha3 s ARG 244 CO 0.92 -0.56 0.00 0.41 -1.08 0.00 0.00 175.30 174.99 1ha3 n GLY 245 N -0.36 -1.50 3.25 3.88 0.00 0.08 -1.86 105.19 108.68 1ha3 n GLY 245 Ca -0.15 -1.31 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 1ha3 n GLY 245 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ha3 s LYS 246 N 0.00 1.09 -0.19 1.61 1.02 -1.26 -1.42 119.74 120.59 1ha3 s LYS 246 Ca 0.00 -1.37 -0.16 0.00 0.02 0.00 0.00 55.97 54.46 1ha3 s LYS 246 Cb 0.00 0.31 0.05 0.00 -0.52 0.00 0.00 37.83 37.67 1ha3 s LYS 246 CO 0.00 -0.36 0.50 0.54 -0.92 0.00 0.00 175.35 175.11 1ha3 s VAL 247 N -4.04 -0.00 0.16 3.17 0.11 -0.42 -4.62 120.40 114.76 1ha3 s VAL 247 Ca 0.24 0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 59.21 1ha3 s VAL 247 Cb 0.05 -0.71 -0.01 0.00 -1.53 0.00 0.00 36.38 34.19 1ha3 s VAL 247 CO 0.03 0.00 0.29 -1.59 -3.33 0.00 0.00 175.10 170.51 1ha3 s LYS 248 N 0.47 1.15 0.30 1.54 -2.85 -1.26 -0.60 119.74 118.50 1ha3 s LYS 248 Ca -0.02 -1.13 -0.29 0.00 -1.00 0.00 0.00 55.97 53.53 1ha3 s LYS 248 Cb -0.04 0.38 -0.13 0.00 -2.06 0.00 0.00 37.83 35.98 1ha3 s LYS 248 CO -0.02 -0.42 1.26 0.28 0.10 0.00 0.00 175.35 176.55 1ha3 n VAL 249 N -0.21 1.72 0.00 1.79 0.31 -1.26 -1.79 118.33 118.89 1ha3 n VAL 249 Ca -0.08 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 1ha3 n VAL 249 Cb 0.63 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 1ha3 n VAL 249 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ha3 n GLY 250 N 1.22 3.39 3.77 2.92 0.00 0.11 -4.99 105.19 111.60 1ha3 n GLY 250 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1ha3 n GLY 250 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ha3 s ASP 251 N -0.98 6.68 0.07 1.61 1.01 -0.74 -4.71 116.67 119.61 1ha3 s ASP 251 Ca 0.00 2.36 -0.15 0.00 0.71 0.00 0.00 52.55 55.47 1ha3 s ASP 251 Cb 0.00 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.25 1ha3 s ASP 251 CO 0.00 -0.57 0.49 -1.61 0.21 0.00 0.00 175.17 173.69 1ha3 s GLU 252 N -2.12 3.99 0.03 8.23 2.02 -1.26 -0.72 118.70 128.86 1ha3 s GLU 252 Ca 0.54 0.50 -0.03 0.00 0.02 0.00 0.00 54.97 56.00 1ha3 s GLU 252 Cb -0.31 -3.12 -0.02 0.00 0.10 0.00 0.00 34.13 30.78 1ha3 s GLU 252 CO 0.40 0.60 0.04 0.14 0.02 0.00 0.00 175.26 176.46 1ha3 s VAL 253 N -1.23 0.13 0.06 2.63 -7.23 -0.41 -4.43 120.40 109.92 1ha3 s VAL 253 Ca 0.30 -1.04 0.03 0.00 -1.81 0.00 0.00 61.98 59.46 1ha3 s VAL 253 Cb -0.17 -0.65 -0.04 0.00 0.56 0.00 0.00 36.38 36.09 1ha3 s VAL 253 CO 0.17 -0.57 0.02 -1.61 -0.31 0.00 0.00 175.10 172.79 1ha3 s GLU 254 N -2.11 2.69 -0.36 4.82 2.02 -0.18 -1.57 118.70 124.00 1ha3 s GLU 254 Ca -0.09 -0.73 -0.06 0.00 0.02 0.00 0.00 54.97 54.10 1ha3 s GLU 254 Cb -0.05 -2.62 0.06 0.00 0.10 0.00 0.00 34.13 31.63 1ha3 s GLU 254 CO -0.03 0.57 0.14 0.42 0.02 0.00 0.00 175.26 176.39 1ha3 s ILE 255 N -1.25 3.72 -0.11 -1.63 1.01 0.12 -1.46 121.20 121.60 1ha3 s ILE 255 Ca 0.24 -1.36 -0.02 0.00 0.00 0.00 0.00 60.65 59.51 1ha3 s ILE 255 Cb -0.12 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 1ha3 s ILE 255 CO 0.16 -0.32 -0.03 -0.69 0.00 0.00 0.00 174.94 174.05 1ha3 s VAL 256 N 1.35 3.96 0.00 2.92 1.01 -0.37 -2.16 120.40 127.11 1ha3 s VAL 256 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1ha3 s VAL 256 Cb -0.21 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1ha3 s VAL 256 CO 0.01 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1ha3 n GLY 257 N 2.81 1.81 4.98 4.51 0.00 -1.26 -1.95 105.19 116.10 1ha3 n GLY 257 Ca -0.18 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.90 1ha3 n GLY 257 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ha3 n LEU 258 N -0.01 0.00 -4.91 0.99 4.77 0.32 -4.82 117.00 113.34 1ha3 n LEU 258 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 1ha3 n LEU 258 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1ha3 n LEU 258 CO 0.00 0.00 0.62 0.00 -1.33 0.00 0.00 177.39 176.68 1ha3 s ALA 259 N 0.00 3.13 0.46 -1.18 0.00 -1.26 -4.61 121.76 118.30 1ha3 s ALA 259 Ca 0.00 -0.67 0.25 0.00 0.00 0.00 0.00 51.96 51.54 1ha3 s ALA 259 Cb 0.00 -2.72 1.44 0.00 0.00 0.00 0.00 23.12 21.84 1ha3 s ALA 259 CO 0.00 -1.06 2.10 -1.35 0.00 0.00 0.00 175.76 175.45 1ha3 h PRO 260 N -0.45 0.00 -2.59 0.00 0.11 -1.99 -3.44 132.00 123.63 1ha3 h PRO 260 Ca -0.45 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 1ha3 h PRO 260 Cb 1.28 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.18 1ha3 h PRO 260 CO 0.62 0.10 -0.09 -2.00 -0.21 0.00 0.00 178.00 176.42 1ha3 s GLU 261 N -4.39 0.78 0.31 1.05 2.12 -1.26 -5.14 118.70 112.17 1ha3 s GLU 261 Ca -0.04 0.14 -0.29 0.00 0.36 0.00 0.00 54.97 55.14 1ha3 s GLU 261 Cb 0.14 0.36 -0.10 0.00 0.26 0.00 0.00 34.13 34.79 1ha3 s GLU 261 CO 0.60 -0.21 1.42 0.99 -0.54 0.00 0.00 175.26 177.53 1ha3 s THR 262 N -0.95 2.46 0.07 -1.70 2.01 -1.26 -4.93 115.64 111.34 1ha3 s THR 262 Ca -0.10 0.43 0.04 0.00 0.31 0.00 0.00 61.69 62.37 1ha3 s THR 262 Cb -0.03 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 1ha3 s THR 262 CO 0.05 0.09 0.02 -0.13 -0.69 0.00 0.00 174.62 173.97 1ha3 s ARG 263 N -1.28 2.69 -0.07 4.92 0.52 -0.92 -4.93 118.95 119.87 1ha3 s ARG 263 Ca 0.55 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 1ha3 s ARG 263 Cb -0.43 -2.62 0.02 0.00 0.52 0.00 0.00 34.95 32.44 1ha3 s ARG 263 CO 0.52 0.56 -0.06 0.21 0.02 0.00 0.00 175.30 176.55 1ha3 s LYS 264 N -2.21 1.15 0.00 3.54 2.20 -1.26 0.14 119.74 123.30 1ha3 s LYS 264 Ca 0.26 -0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.71 1ha3 s LYS 264 Cb -0.12 -1.19 0.00 0.00 -1.51 0.00 0.00 37.83 35.01 1ha3 s LYS 264 CO 0.18 -0.16 0.00 -2.37 -0.36 0.00 0.00 175.35 172.64 1ha3 n THR 265 N 4.50 0.00 -4.93 3.43 5.66 -0.61 -4.99 114.28 117.34 1ha3 n THR 265 Ca -0.17 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.52 1ha3 n THR 265 Cb 0.51 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.14 1ha3 n THR 265 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1ha3 s VAL 266 N -1.95 2.45 -0.19 1.08 1.01 -1.26 -1.28 120.40 120.26 1ha3 s VAL 266 Ca 0.00 -1.16 -0.29 0.00 0.00 0.00 0.00 61.98 60.53 1ha3 s VAL 266 Cb 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.43 1ha3 s VAL 266 CO 0.00 0.45 1.02 -0.69 0.00 0.00 0.00 175.10 175.88 1ha3 s VAL 267 N -0.78 4.72 -2.10 2.92 1.01 0.10 -1.75 120.40 124.52 1ha3 s VAL 267 Ca 0.12 2.02 0.17 0.00 0.00 0.00 0.00 61.98 64.29 1ha3 s VAL 267 Cb -0.10 -4.30 0.13 0.00 0.00 0.00 0.00 36.38 32.10 1ha3 s VAL 267 CO 0.02 -0.11 1.03 0.35 0.00 0.00 0.00 175.10 176.39 1ha3 n THR 268 N 5.04 0.00 -3.63 3.92 -2.24 -0.69 0.06 114.28 116.73 1ha3 n THR 268 Ca 0.11 -0.50 -0.05 0.00 -2.27 0.00 0.00 64.05 61.34 1ha3 n THR 268 Cb 0.47 1.35 -0.06 0.00 -2.10 0.00 0.00 70.33 69.99 1ha3 n THR 268 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ha3 s GLY 269 N -1.42 0.09 -0.05 3.38 0.00 -1.23 -4.93 107.32 103.16 1ha3 s GLY 269 Ca 0.20 2.92 -0.01 0.00 0.00 0.00 0.00 44.72 47.83 1ha3 s GLY 269 CO 0.22 1.49 0.02 0.14 0.00 0.00 0.00 173.10 174.96 1ha3 s VAL 270 N -0.50 0.14 0.06 1.40 1.01 -1.26 -0.50 120.40 120.75 1ha3 s VAL 270 Ca 0.06 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.28 1ha3 s VAL 270 Cb -0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 1ha3 s VAL 270 CO -0.09 0.19 -0.08 -1.61 0.00 0.00 0.00 175.10 173.51 1ha3 s GLU 271 N 1.70 0.61 -0.18 2.72 2.02 -0.04 -0.81 118.70 124.73 1ha3 s GLU 271 Ca -0.00 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.11 1ha3 s GLU 271 Cb -0.13 -0.32 0.04 0.00 0.10 0.00 0.00 34.13 33.83 1ha3 s GLU 271 CO -0.03 0.05 -0.09 1.41 0.02 0.00 0.00 175.26 176.62 1ha3 s MET 272 N -2.02 1.82 -1.38 1.61 -2.45 -0.41 -0.39 119.30 116.07 1ha3 s MET 272 Ca -0.05 -0.70 -0.08 0.00 -1.25 0.00 0.00 55.69 53.60 1ha3 s MET 272 Cb -0.07 -2.24 0.03 0.00 1.25 0.00 0.00 34.83 33.80 1ha3 s MET 272 CO -0.00 -0.42 1.06 0.72 1.05 0.00 0.00 175.02 177.43 1ha3 n HIS 273 N 4.76 -2.54 -1.16 4.11 8.25 -1.26 -1.96 115.22 125.42 1ha3 n HIS 273 Ca -0.14 0.96 -0.05 0.00 -0.26 0.00 0.00 57.72 58.23 1ha3 n HIS 273 Cb 0.47 -4.70 -0.02 0.00 1.12 0.00 0.00 29.99 26.86 1ha3 n HIS 273 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ha3 n ARG 274 N -4.73 -0.97 -5.04 -0.41 5.12 -1.26 -5.01 116.66 104.35 1ha3 n ARG 274 Ca -0.05 0.57 -0.32 0.00 -1.93 0.00 0.00 57.85 56.12 1ha3 n ARG 274 Cb 0.58 -4.48 -0.15 0.00 -1.16 0.00 0.00 32.46 27.25 1ha3 n ARG 274 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1ha3 s LYS 275 N -1.98 2.56 -0.02 5.56 1.02 -0.83 -4.40 119.74 121.64 1ha3 s LYS 275 Ca 0.00 -0.79 -0.34 0.00 0.02 0.00 0.00 55.97 54.86 1ha3 s LYS 275 Cb 0.00 -2.30 -0.13 0.00 -0.52 0.00 0.00 37.83 34.89 1ha3 s LYS 275 CO 0.00 0.50 1.77 2.41 -0.92 0.00 0.00 175.35 179.11 1ha3 n THR 276 N 2.64 0.39 -4.21 2.17 -1.04 -0.51 -1.29 114.28 112.42 1ha3 n THR 276 Ca -0.17 -0.07 -0.34 0.00 -2.04 0.00 0.00 64.05 61.43 1ha3 n THR 276 Cb 0.52 -1.71 -0.13 0.00 -1.82 0.00 0.00 70.33 67.18 1ha3 n THR 276 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1ha3 s LEU 277 N 3.05 2.99 0.27 -4.42 2.96 0.01 -0.48 118.68 123.06 1ha3 s LEU 277 Ca 0.89 -0.29 -0.00 0.00 -0.22 0.00 0.00 54.13 54.50 1ha3 s LEU 277 Cb -0.72 -1.74 0.53 0.00 0.50 0.00 0.00 46.19 44.77 1ha3 s LEU 277 CO 0.48 0.07 1.80 -0.61 -1.32 0.00 0.00 176.35 176.77 1ha3 h GLN 278 N 7.44 0.76 -1.68 1.98 4.15 -1.85 -3.42 115.11 122.48 1ha3 h GLN 278 Ca -0.35 -0.05 0.09 0.00 0.77 0.00 0.00 58.65 59.11 1ha3 h GLN 278 Cb 1.18 -0.17 -0.23 0.00 0.21 0.00 0.00 27.48 28.47 1ha3 h GLN 278 CO 0.60 0.50 0.11 -2.00 -1.93 0.00 0.00 178.83 176.11 1ha3 s GLU 279 N -5.97 0.51 0.30 1.69 2.12 -1.26 -4.63 118.70 111.46 1ha3 s GLU 279 Ca -0.12 1.05 -0.25 0.00 0.36 0.00 0.00 54.97 56.01 1ha3 s GLU 279 Cb 0.22 0.39 -0.10 0.00 0.26 0.00 0.00 34.13 34.90 1ha3 s GLU 279 CO 0.79 -0.14 0.91 0.20 -0.54 0.00 0.00 175.26 176.48 1ha3 s GLY 280 N 2.09 2.79 0.19 -1.50 0.00 0.24 -4.88 107.32 106.25 1ha3 s GLY 280 Ca -0.07 0.47 0.05 0.00 0.00 0.00 0.00 44.72 45.17 1ha3 s GLY 280 CO -0.18 0.91 -0.07 -0.26 0.00 0.00 0.00 173.10 173.50 1ha3 s ILE 281 N -1.56 1.24 0.06 0.90 -4.36 -1.26 -1.30 121.20 114.91 1ha3 s ILE 281 Ca 0.48 -2.08 -0.38 0.00 -0.26 0.00 0.00 60.65 58.42 1ha3 s ILE 281 Cb -0.19 -2.09 -0.18 0.00 1.25 0.00 0.00 42.46 41.25 1ha3 s ILE 281 CO 0.24 -0.55 1.21 0.00 0.24 0.00 0.00 174.94 176.08 1ha3 n ALA 282 N -0.33 -2.02 0.00 2.27 0.00 -0.50 -1.07 120.51 118.86 1ha3 n ALA 282 Ca -0.08 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1ha3 n ALA 282 Cb 0.62 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1ha3 n ALA 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ha3 n GLY 283 N 2.09 2.74 3.74 0.00 0.00 0.57 -4.84 105.19 109.50 1ha3 n GLY 283 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1ha3 n GLY 283 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ha3 s ASP 284 N -0.12 7.27 -0.41 1.61 1.01 -0.23 -4.75 116.67 121.05 1ha3 s ASP 284 Ca 0.00 2.13 -0.17 0.00 0.71 0.00 0.00 52.55 55.22 1ha3 s ASP 284 Cb 0.00 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.34 1ha3 s ASP 284 CO 0.00 -0.20 0.41 0.54 0.21 0.00 0.00 175.17 176.13 1ha3 s ASN 285 N -0.28 6.18 0.31 0.27 6.03 -1.26 -0.90 114.94 125.29 1ha3 s ASN 285 Ca 0.48 -0.62 0.02 0.00 -1.03 0.00 0.00 52.86 51.71 1ha3 s ASN 285 Cb -0.30 -2.21 -0.01 0.00 -3.03 0.00 0.00 41.25 35.70 1ha3 s ASN 285 CO 0.36 -0.52 0.07 1.33 -2.03 0.00 0.00 177.10 176.31 1ha3 n VAL 286 N 5.37 0.00 -4.01 3.54 0.24 0.60 -4.52 118.33 119.54 1ha3 n VAL 286 Ca -0.08 -1.66 -0.28 0.00 -2.04 0.00 0.00 64.34 60.28 1ha3 n VAL 286 Cb 0.48 0.51 -0.17 0.00 -1.47 0.00 0.00 33.84 33.19 1ha3 n VAL 286 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ha3 s GLY 287 N -2.81 0.92 -0.23 7.63 0.00 0.48 -1.87 107.32 111.43 1ha3 s GLY 287 Ca 0.10 -0.65 -0.02 0.00 0.00 0.00 0.00 44.72 44.14 1ha3 s GLY 287 CO 0.07 0.66 -0.07 0.14 0.00 0.00 0.00 173.10 173.90 1ha3 s VAL 288 N 1.54 3.03 0.00 1.40 1.01 0.20 -0.86 120.40 126.73 1ha3 s VAL 288 Ca 0.03 -0.75 -0.26 0.00 0.00 0.00 0.00 61.98 61.00 1ha3 s VAL 288 Cb -0.13 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1ha3 s VAL 288 CO -0.08 0.35 0.81 -0.76 0.00 0.00 0.00 175.10 175.42 1ha3 s LEU 289 N 1.40 4.39 -0.15 3.92 1.02 0.35 -0.89 118.68 128.72 1ha3 s LEU 289 Ca 0.04 1.44 0.02 0.00 0.02 0.00 0.00 54.13 55.64 1ha3 s LEU 289 Cb -0.15 -3.29 0.01 0.00 0.02 0.00 0.00 46.19 42.78 1ha3 s LEU 289 CO -0.05 -0.10 -0.19 -0.76 0.02 0.00 0.00 176.35 175.27 1ha3 s LEU 290 N 0.46 2.24 0.38 1.79 1.43 -0.51 -1.70 118.68 122.78 1ha3 s LEU 290 Ca 0.42 -0.56 -0.26 0.00 -1.03 0.00 0.00 54.13 52.70 1ha3 s LEU 290 Cb -0.20 -1.49 -0.09 0.00 0.03 0.00 0.00 46.19 44.44 1ha3 s LEU 290 CO 0.23 0.08 1.19 -0.60 0.23 0.00 0.00 176.35 177.48 1ha3 s ARG 291 N 0.84 4.12 0.00 1.70 3.52 -0.72 -3.82 118.95 124.59 1ha3 s ARG 291 Ca -0.06 1.90 0.00 0.00 -0.13 0.00 0.00 55.73 57.44 1ha3 s ARG 291 Cb -0.15 -2.76 0.00 0.00 -1.56 0.00 0.00 34.95 30.48 1ha3 s ARG 291 CO -0.02 -0.28 0.00 0.41 -0.81 0.00 0.00 175.30 174.60 1ha3 n GLY 292 N 0.69 0.08 3.54 8.12 0.00 -1.26 -4.57 105.19 111.80 1ha3 n GLY 292 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1ha3 n GLY 292 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ha3 s VAL 293 N -1.20 3.35 0.58 1.61 -7.23 -1.25 -5.12 120.40 111.13 1ha3 s VAL 293 Ca 0.00 -0.79 -0.03 0.00 -1.81 0.00 0.00 61.98 59.35 1ha3 s VAL 293 Cb 0.00 -2.40 0.03 0.00 0.56 0.00 0.00 36.38 34.57 1ha3 s VAL 293 CO 0.00 0.46 0.85 -0.94 -0.31 0.00 0.00 175.10 175.17 1ha3 s SER 294 N -1.16 5.37 0.44 4.85 1.04 -1.26 -4.28 113.70 118.70 1ha3 s SER 294 Ca 0.14 0.38 0.30 0.00 0.48 0.00 0.00 55.95 57.26 1ha3 s SER 294 Cb -0.11 -1.31 1.54 0.00 0.10 0.00 0.00 66.02 66.24 1ha3 s SER 294 CO 0.04 -1.14 1.93 -0.09 0.98 0.00 0.00 173.24 174.95 1ha3 h ARG 295 N -0.10 0.00 0.00 4.02 2.43 -1.90 -0.90 114.38 117.92 1ha3 h ARG 295 Ca -0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1ha3 h ARG 295 Cb 1.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1ha3 h ARG 295 CO 0.58 0.00 -0.98 0.39 -1.51 0.00 0.00 179.97 178.45 1ha3 n GLU 296 N -2.61 0.46 -0.04 0.20 4.71 -1.26 -3.95 120.64 118.15 1ha3 n GLU 296 Ca -0.01 0.06 0.10 0.00 -0.01 0.00 0.00 57.16 57.31 1ha3 n GLU 296 Cb 0.11 -1.72 0.46 0.00 -1.01 0.00 0.00 31.44 29.29 1ha3 n GLU 296 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1ha3 n GLU 297 N -2.35 1.44 -3.80 3.49 1.02 -0.35 -4.77 120.64 115.32 1ha3 n GLU 297 Ca 0.01 -0.65 -0.13 0.00 -0.02 0.00 0.00 57.16 56.37 1ha3 n GLU 297 Cb 0.50 -1.36 -0.13 0.00 -0.02 0.00 0.00 31.44 30.42 1ha3 n GLU 297 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ha3 s VAL 298 N -1.89 -0.01 0.19 2.62 0.11 -1.23 -4.91 120.40 115.27 1ha3 s VAL 298 Ca 0.31 0.05 -0.12 0.00 -2.93 0.00 0.00 61.98 59.30 1ha3 s VAL 298 Cb 0.16 -0.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.81 1ha3 s VAL 298 CO 0.25 0.02 0.38 -1.83 -3.33 0.00 0.00 175.10 170.59 1ha3 s GLU 299 N 0.38 1.29 0.25 1.54 -1.05 -1.26 -4.89 118.70 114.96 1ha3 s GLU 299 Ca -0.03 -1.12 -0.31 0.00 -0.15 0.00 0.00 54.97 53.36 1ha3 s GLU 299 Cb -0.04 0.43 -0.13 0.00 -0.44 0.00 0.00 34.13 33.95 1ha3 s GLU 299 CO -0.02 -0.51 1.46 -2.13 0.95 0.00 0.00 175.26 175.02 1ha3 n ARG 300 N -0.28 2.22 0.00 -4.83 0.63 -1.26 -2.20 116.66 110.93 1ha3 n ARG 300 Ca -0.07 0.79 0.00 0.00 -0.92 0.00 0.00 57.85 57.65 1ha3 n ARG 300 Cb 0.63 -2.48 0.00 0.00 0.45 0.00 0.00 32.46 31.06 1ha3 n ARG 300 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ha3 n GLY 301 N 2.17 2.49 3.86 5.14 0.00 -0.63 -4.90 105.19 113.33 1ha3 n GLY 301 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1ha3 n GLY 301 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ha3 s GLN 302 N -0.06 2.49 0.07 1.61 -0.21 -0.93 -4.76 119.66 117.87 1ha3 s GLN 302 Ca 0.00 0.45 0.07 0.00 0.02 0.00 0.00 55.36 55.90 1ha3 s GLN 302 Cb 0.00 -1.98 -0.03 0.00 1.00 0.00 0.00 33.01 32.00 1ha3 s GLN 302 CO 0.00 -1.29 -0.18 0.14 -2.12 0.00 0.00 175.29 171.83 1ha3 s VAL 303 N -3.34 1.48 -0.14 1.09 -7.23 -0.82 -0.26 120.40 111.18 1ha3 s VAL 303 Ca 0.59 -1.33 -0.08 0.00 -1.81 0.00 0.00 61.98 59.36 1ha3 s VAL 303 Cb -0.12 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.44 1ha3 s VAL 303 CO 0.52 -0.02 0.14 -0.76 -0.31 0.00 0.00 175.10 174.67 1ha3 s LEU 304 N -1.58 4.35 0.17 1.32 1.43 -0.00 -1.23 118.68 123.14 1ha3 s LEU 304 Ca 0.04 0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 53.38 1ha3 s LEU 304 Cb -0.09 -2.09 0.04 0.00 0.03 0.00 0.00 46.19 44.08 1ha3 s LEU 304 CO 0.03 0.35 0.52 0.00 0.23 0.00 0.00 176.35 177.48 1ha3 s ALA 305 N -0.68 -1.09 0.23 4.21 0.00 -0.53 -0.76 121.76 123.13 1ha3 s ALA 305 Ca 0.13 -0.03 -0.32 0.00 0.00 0.00 0.00 51.96 51.75 1ha3 s ALA 305 Cb -0.12 0.82 -0.12 0.00 0.00 0.00 0.00 23.12 23.70 1ha3 s ALA 305 CO 0.03 -0.77 1.65 1.17 0.00 0.00 0.00 175.76 177.84 1ha3 n LYS 306 N -0.33 2.62 -1.59 0.00 4.81 -0.59 -1.02 118.16 122.07 1ha3 n LYS 306 Ca -0.13 0.94 -0.52 0.00 -0.87 0.00 0.00 58.31 57.74 1ha3 n LYS 306 Cb 0.63 -2.75 -0.06 0.00 0.02 0.00 0.00 35.03 32.88 1ha3 n LYS 306 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1ha3 n PRO 307 N 3.26 1.20 -0.81 1.64 -0.02 -1.26 -1.47 135.00 137.54 1ha3 n PRO 307 Ca 0.14 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1ha3 n PRO 307 Cb 0.34 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1ha3 n PRO 307 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ha3 n GLY 308 N 2.57 0.94 0.21 -1.23 0.00 -1.26 -4.89 105.19 101.53 1ha3 n GLY 308 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 1ha3 n GLY 308 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ha3 h SER 309 N 0.00 0.00 -4.43 1.61 4.64 -1.61 -3.45 113.55 110.30 1ha3 h SER 309 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1ha3 h SER 309 Cb 0.00 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 61.87 1ha3 h SER 309 CO 0.00 0.09 -0.21 -0.51 -0.87 0.00 0.00 176.83 175.33 1ha3 s ILE 310 N -3.18 0.02 0.24 0.95 2.07 -1.26 -5.06 121.20 114.98 1ha3 s ILE 310 Ca 0.06 -0.19 0.10 0.00 -1.41 0.00 0.00 60.65 59.21 1ha3 s ILE 310 Cb 0.06 -0.63 -0.05 0.00 0.13 0.00 0.00 42.46 41.97 1ha3 s ILE 310 CO 0.68 -0.11 -0.19 0.42 -1.91 0.00 0.00 174.94 173.84 1ha3 s THR 311 N -0.54 2.21 0.10 4.00 -4.23 -1.26 -4.99 115.64 110.92 1ha3 s THR 311 Ca -0.07 -2.26 -0.29 0.00 -1.18 0.00 0.00 61.69 57.89 1ha3 s THR 311 Cb -0.04 -2.17 -0.06 0.00 1.34 0.00 0.00 72.50 71.58 1ha3 s THR 311 CO 0.03 -0.41 0.92 -2.16 -0.54 0.00 0.00 174.62 172.46 1ha3 s PRO 312 N -3.37 4.65 0.10 3.99 0.04 -1.26 -2.25 135.00 136.91 1ha3 s PRO 312 Ca 0.25 1.37 -0.05 0.00 0.04 0.00 0.00 61.00 62.61 1ha3 s PRO 312 Cb -0.04 -3.37 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 1ha3 s PRO 312 CO 0.11 0.23 0.12 -1.01 0.04 0.00 0.00 177.00 176.49 1ha3 s HIS 313 N -0.01 0.47 0.00 0.56 3.76 0.32 -4.85 115.29 115.54 1ha3 s HIS 313 Ca 0.45 -0.91 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 1ha3 s HIS 313 Cb -0.23 -0.25 0.00 0.00 1.11 0.00 0.00 32.58 33.22 1ha3 s HIS 313 CO 0.28 -0.53 0.00 0.25 -0.85 0.00 0.00 174.74 173.89 1ha3 n THR 314 N -0.06 0.00 -5.04 1.30 -2.24 -1.26 -1.26 114.28 105.72 1ha3 n THR 314 Ca -0.11 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.35 1ha3 n THR 314 Cb 0.62 -0.53 -0.15 0.00 -2.10 0.00 0.00 70.33 68.17 1ha3 n THR 314 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ha3 s LYS 315 N -1.67 2.87 0.22 -0.78 2.20 -1.26 0.80 119.74 122.11 1ha3 s LYS 315 Ca 0.00 -0.80 -0.19 0.00 -0.36 0.00 0.00 55.97 54.62 1ha3 s LYS 315 Cb 0.00 -2.37 0.03 0.00 -1.51 0.00 0.00 37.83 33.99 1ha3 s LYS 315 CO 0.00 0.35 0.60 -0.59 -0.36 0.00 0.00 175.35 175.35 1ha3 s PHE 316 N -0.05 -0.19 0.06 4.03 -0.71 -0.50 -0.99 117.98 119.63 1ha3 s PHE 316 Ca -0.05 -0.16 0.02 0.00 -1.04 0.00 0.00 56.93 55.70 1ha3 s PHE 316 Cb -0.14 0.52 -0.04 0.00 -1.21 0.00 0.00 43.02 42.14 1ha3 s PHE 316 CO 0.04 -1.01 0.10 -1.21 -1.34 0.00 0.00 175.22 171.81 1ha3 s GLU 317 N -3.87 3.02 0.02 1.99 2.02 0.83 -0.72 118.70 121.99 1ha3 s GLU 317 Ca 0.09 -0.61 -0.17 0.00 0.02 0.00 0.00 54.97 54.30 1ha3 s GLU 317 Cb -0.03 -2.81 0.03 0.00 0.10 0.00 0.00 34.13 31.43 1ha3 s GLU 317 CO -0.01 0.59 0.37 0.00 0.02 0.00 0.00 175.26 176.23 1ha3 s ALA 318 N -1.38 -0.90 -0.24 5.21 0.00 -0.16 -1.19 121.76 123.09 1ha3 s ALA 318 Ca 0.29 0.30 -0.12 0.00 0.00 0.00 0.00 51.96 52.44 1ha3 s ALA 318 Cb -0.12 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 1ha3 s ALA 318 CO 0.22 -0.37 0.22 -1.54 0.00 0.00 0.00 175.76 174.29 1ha3 s SER 319 N -1.74 6.17 -0.02 0.00 1.04 -0.87 -2.05 113.70 116.22 1ha3 s SER 319 Ca -0.08 0.17 0.04 0.00 0.48 0.00 0.00 55.95 56.56 1ha3 s SER 319 Cb -0.02 -2.14 -0.01 0.00 0.10 0.00 0.00 66.02 63.95 1ha3 s SER 319 CO 0.00 0.00 -0.14 -0.69 0.98 0.00 0.00 173.24 173.39 1ha3 s VAL 320 N 1.30 1.15 -0.26 5.02 1.01 0.23 -1.67 120.40 127.18 1ha3 s VAL 320 Ca 0.10 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 1ha3 s VAL 320 Cb -0.14 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 1ha3 s VAL 320 CO 0.07 0.33 0.09 -0.47 0.00 0.00 0.00 175.10 175.11 1ha3 s TYR 321 N -0.23 3.10 -0.27 5.22 5.04 -0.27 -0.29 117.35 129.66 1ha3 s TYR 321 Ca 0.03 -0.42 -0.23 0.00 -2.44 0.00 0.00 57.07 54.01 1ha3 s TYR 321 Cb -0.07 -2.26 -0.01 0.00 0.35 0.00 0.00 41.96 39.98 1ha3 s TYR 321 CO -0.00 -0.36 0.77 0.08 -1.34 0.00 0.00 175.55 174.70 1ha3 s VAL 322 N 1.62 4.85 0.39 3.14 1.01 -0.60 -1.86 120.40 128.96 1ha3 s VAL 322 Ca 0.06 1.32 -0.27 0.00 0.00 0.00 0.00 61.98 63.09 1ha3 s VAL 322 Cb -0.15 -4.09 -0.10 0.00 0.00 0.00 0.00 36.38 32.04 1ha3 s VAL 322 CO 0.04 -0.12 1.43 -0.76 0.00 0.00 0.00 175.10 175.70 1ha3 s LEU 323 N 2.81 4.29 0.66 3.92 1.02 -0.71 0.61 118.68 131.27 1ha3 s LEU 323 Ca 0.32 2.94 -0.11 0.00 0.02 0.00 0.00 54.13 57.29 1ha3 s LEU 323 Cb -0.15 -3.74 -0.01 0.00 0.02 0.00 0.00 46.19 42.31 1ha3 s LEU 323 CO 0.09 -0.88 1.05 -0.54 0.02 0.00 0.00 176.35 176.09 1ha3 s LYS 324 N -2.13 3.20 0.36 1.70 1.02 -1.26 -4.26 119.74 118.37 1ha3 s LYS 324 Ca 0.54 0.92 0.04 0.00 0.02 0.00 0.00 55.97 57.49 1ha3 s LYS 324 Cb -0.44 -2.02 0.70 0.00 -0.52 0.00 0.00 37.83 35.54 1ha3 s LYS 324 CO 0.59 -0.89 2.00 -0.22 -0.92 0.00 0.00 175.35 175.91 1ha3 h LYS 325 N -0.44 0.77 0.00 1.68 1.63 -1.76 0.14 116.57 118.59 1ha3 h LYS 325 Ca -0.44 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 1ha3 h LYS 325 Cb 1.20 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.66 1ha3 h LYS 325 CO 0.58 0.51 0.00 0.39 -3.45 0.00 0.00 179.45 177.48 1ha3 n GLU 326 N -4.46 0.02 -0.33 1.90 4.71 -1.26 -1.66 120.64 119.56 1ha3 n GLU 326 Ca 0.07 0.33 0.08 0.00 -0.01 0.00 0.00 57.16 57.64 1ha3 n GLU 326 Cb 0.11 -1.50 0.22 0.00 -1.01 0.00 0.00 31.44 29.25 1ha3 n GLU 326 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1ha3 n GLU 327 N -1.47 2.61 -0.12 3.49 1.02 0.44 -4.94 120.64 121.67 1ha3 n GLU 327 Ca 0.02 -2.65 0.00 0.00 -0.02 0.00 0.00 57.16 54.51 1ha3 n GLU 327 Cb 0.10 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 1ha3 n GLU 327 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ha3 n GLY 328 N -0.57 0.98 0.00 0.62 0.00 -0.66 -4.86 105.19 100.70 1ha3 n GLY 328 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ha3 n GLY 328 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ha3 n GLY 329 N -2.00 -0.65 3.94 -0.02 0.00 -0.82 -4.57 105.19 101.06 1ha3 n GLY 329 Ca 0.00 -1.69 -0.25 0.00 0.00 0.00 0.00 46.02 44.08 1ha3 n GLY 329 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ha3 s ARG 330 N -1.26 3.51 0.00 1.61 0.52 -1.26 -4.34 118.95 117.73 1ha3 s ARG 330 Ca 0.00 -0.29 0.25 0.00 -0.52 0.00 0.00 55.73 55.17 1ha3 s ARG 330 Cb 0.00 -2.68 0.57 0.00 0.52 0.00 0.00 34.95 33.36 1ha3 s ARG 330 CO 0.00 0.19 1.45 -2.39 0.02 0.00 0.00 175.30 174.56 1ha3 n HIS 331 N -1.55 0.00 -3.83 -0.53 1.44 -1.26 -3.76 115.22 105.73 1ha3 n HIS 331 Ca -0.04 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.42 1ha3 n HIS 331 Cb 0.56 -0.17 -0.02 0.00 0.12 0.00 0.00 29.99 30.47 1ha3 n HIS 331 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1ha3 s THR 332 N -2.76 5.25 0.68 0.61 -4.23 -1.26 -4.77 115.64 109.16 1ha3 s THR 332 Ca 0.17 -0.70 0.03 0.00 -1.18 0.00 0.00 61.69 60.01 1ha3 s THR 332 Cb 0.18 -3.80 0.12 0.00 1.34 0.00 0.00 72.50 70.35 1ha3 s THR 332 CO 0.62 -0.25 0.94 -0.83 -0.54 0.00 0.00 174.62 174.56 1ha3 s GLY 333 N -3.59 1.74 0.60 3.99 0.00 -1.26 -4.60 107.32 104.19 1ha3 s GLY 333 Ca 0.36 -1.96 -0.12 0.00 0.00 0.00 0.00 44.72 43.00 1ha3 s GLY 333 CO 0.30 -1.40 1.01 -1.36 0.00 0.00 0.00 173.10 171.65 1ha3 s PHE 334 N -3.00 3.60 0.14 1.90 0.40 -0.21 -4.87 117.98 115.93 1ha3 s PHE 334 Ca 0.66 1.31 -0.11 0.00 -0.60 0.00 0.00 56.93 58.18 1ha3 s PHE 334 Cb -0.05 -2.72 0.01 0.00 0.51 0.00 0.00 43.02 40.77 1ha3 s PHE 334 CO 0.43 -0.62 0.31 -0.59 0.70 0.00 0.00 175.22 175.45 1ha3 s PHE 335 N -3.06 0.14 0.19 0.36 -0.71 -1.26 -2.37 117.98 111.26 1ha3 s PHE 335 Ca 0.55 -0.51 -0.30 0.00 -1.04 0.00 0.00 56.93 55.63 1ha3 s PHE 335 Cb -0.11 0.06 -0.08 0.00 -1.21 0.00 0.00 43.02 41.68 1ha3 s PHE 335 CO 0.50 -0.69 1.30 -1.12 -1.34 0.00 0.00 175.22 173.86 1ha3 s SER 336 N -2.89 6.92 0.00 1.98 0.01 -1.26 -2.58 113.70 115.88 1ha3 s SER 336 Ca 0.10 2.36 0.00 0.00 1.31 0.00 0.00 55.95 59.71 1ha3 s SER 336 Cb 0.03 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1ha3 s SER 336 CO -0.06 -0.51 0.00 0.61 0.41 0.00 0.00 173.24 173.69 1ha3 n GLY 337 N 2.45 0.75 3.73 3.44 0.00 0.24 -5.00 105.19 110.79 1ha3 n GLY 337 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1ha3 n GLY 337 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ha3 s TYR 338 N -2.15 2.96 -0.63 1.61 5.04 -1.07 -4.74 117.35 118.37 1ha3 s TYR 338 Ca 0.00 0.66 0.06 0.00 -2.44 0.00 0.00 57.07 55.35 1ha3 s TYR 338 Cb 0.00 -3.98 0.22 0.00 0.35 0.00 0.00 41.96 38.55 1ha3 s TYR 338 CO 0.00 -3.52 0.64 0.54 -1.34 0.00 0.00 175.55 171.87 1ha3 n ARG 339 N 3.35 2.09 -1.58 4.97 1.74 -1.26 -0.96 116.66 125.02 1ha3 n ARG 339 Ca 0.12 -4.45 -0.16 0.00 -0.77 0.00 0.00 57.85 52.59 1ha3 n ARG 339 Cb 0.38 -2.16 0.09 0.00 -1.02 0.00 0.00 32.46 29.75 1ha3 n ARG 339 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1ha3 n PRO 340 N 1.30 -0.19 -3.65 5.56 -0.04 -1.23 -4.72 135.00 132.02 1ha3 n PRO 340 Ca 0.26 -1.53 -0.36 0.00 -0.04 0.00 0.00 63.50 61.84 1ha3 n PRO 340 Cb 0.40 -0.57 -0.07 0.00 -0.04 0.00 0.00 33.50 33.22 1ha3 n PRO 340 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1ha3 s GLN 341 N -4.34 4.06 -0.27 0.54 -1.52 0.11 -2.28 119.66 115.96 1ha3 s GLN 341 Ca 0.43 -0.01 -0.08 0.00 -1.95 0.00 0.00 55.36 53.75 1ha3 s GLN 341 Cb -0.02 -3.36 -0.02 0.00 -0.22 0.00 0.00 33.01 29.39 1ha3 s GLN 341 CO 0.29 0.39 0.10 -0.06 -0.25 0.00 0.00 175.29 175.77 1ha3 s PHE 342 N 0.03 3.13 -0.45 0.91 0.40 -0.03 -1.26 117.98 120.71 1ha3 s PHE 342 Ca 0.14 -0.47 -0.20 0.00 -0.60 0.00 0.00 56.93 55.81 1ha3 s PHE 342 Cb -0.13 -2.28 0.03 0.00 0.51 0.00 0.00 43.02 41.15 1ha3 s PHE 342 CO 0.03 -0.39 0.63 0.71 0.70 0.00 0.00 175.22 176.90 1ha3 s TYR 343 N 1.62 3.06 -0.24 0.36 1.51 0.03 -1.18 117.35 122.51 1ha3 s TYR 343 Ca 0.06 -0.17 -0.01 0.00 -1.01 0.00 0.00 57.07 55.93 1ha3 s TYR 343 Cb -0.16 -3.36 0.03 0.00 -0.11 0.00 0.00 41.96 38.36 1ha3 s TYR 343 CO 0.05 -0.90 -0.07 -0.06 -1.11 0.00 0.00 175.55 173.46 1ha3 s PHE 344 N 2.76 3.06 0.00 2.71 0.08 -0.54 -2.42 117.98 123.63 1ha3 s PHE 344 Ca 0.20 -1.59 0.00 0.00 0.12 0.00 0.00 56.93 55.66 1ha3 s PHE 344 Cb -0.15 -2.05 0.00 0.00 -0.57 0.00 0.00 43.02 40.25 1ha3 s PHE 344 CO 0.17 -0.74 0.00 0.54 -0.10 0.00 0.00 175.22 175.09 1ha3 n ARG 345 N 4.66 0.00 -0.36 0.44 1.74 -1.26 -1.94 116.66 119.94 1ha3 n ARG 345 Ca -0.17 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 56.97 1ha3 n ARG 345 Cb 0.47 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 32.12 1ha3 n ARG 345 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1ha3 n THR 346 N 0.00 1.05 -3.90 0.55 -2.24 -1.26 -4.84 114.28 103.64 1ha3 n THR 346 Ca 0.00 -0.67 -0.11 0.00 -2.27 0.00 0.00 64.05 60.99 1ha3 n THR 346 Cb 0.00 -0.03 -0.00 0.00 -2.10 0.00 0.00 70.33 68.19 1ha3 n THR 346 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1ha3 n THR 347 N 0.55 0.00 -3.99 4.28 5.66 -0.82 -4.15 114.28 115.81 1ha3 n THR 347 Ca 0.15 -1.36 -0.15 0.00 -3.05 0.00 0.00 64.05 59.64 1ha3 n THR 347 Cb 0.56 0.99 -0.15 0.00 -1.55 0.00 0.00 70.33 70.19 1ha3 n THR 347 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1ha3 s ASP 348 N -3.00 0.34 0.00 1.09 -4.77 -1.26 -1.47 116.67 107.60 1ha3 s ASP 348 Ca 0.22 -0.04 0.03 0.00 -3.30 0.00 0.00 52.55 49.46 1ha3 s ASP 348 Cb -0.03 -0.09 -0.01 0.00 -1.09 0.00 0.00 42.92 41.70 1ha3 s ASP 348 CO 0.16 -0.01 -0.10 -0.69 0.70 0.00 0.00 175.17 175.23 1ha3 s VAL 349 N 0.26 0.80 0.34 2.11 1.01 -0.32 -4.89 120.40 119.72 1ha3 s VAL 349 Ca -0.02 -0.56 -0.28 0.00 0.00 0.00 0.00 61.98 61.11 1ha3 s VAL 349 Cb -0.05 -0.70 -0.10 0.00 0.00 0.00 0.00 36.38 35.53 1ha3 s VAL 349 CO -0.01 0.13 1.28 -0.89 0.00 0.00 0.00 175.10 175.62 1ha3 s THR 350 N -0.42 2.79 -0.00 3.92 2.01 -1.26 -0.85 115.64 121.83 1ha3 s THR 350 Ca 0.02 0.77 -0.02 0.00 0.31 0.00 0.00 61.69 62.78 1ha3 s THR 350 Cb -0.05 -3.48 -0.00 0.00 0.01 0.00 0.00 72.50 68.97 1ha3 s THR 350 CO -0.00 0.17 0.03 -0.83 -0.69 0.00 0.00 174.62 173.30 1ha3 s GLY 351 N -0.60 0.07 -0.28 4.40 0.00 -0.96 -1.47 107.32 108.48 1ha3 s GLY 351 Ca 0.50 -0.16 -0.16 0.00 0.00 0.00 0.00 44.72 44.91 1ha3 s GLY 351 CO 0.50 -0.21 0.41 0.14 0.00 0.00 0.00 173.10 173.95 1ha3 s VAL 352 N -0.67 5.14 0.14 1.40 1.01 -0.31 -3.51 120.40 123.61 1ha3 s VAL 352 Ca -0.07 0.61 -0.27 0.00 0.00 0.00 0.00 61.98 62.25 1ha3 s VAL 352 Cb -0.05 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.51 1ha3 s VAL 352 CO -0.00 0.11 0.83 -0.69 0.00 0.00 0.00 175.10 175.34 1ha3 s VAL 353 N 2.15 4.43 -0.22 2.92 1.01 -0.14 -1.94 120.40 128.61 1ha3 s VAL 353 Ca 0.17 1.80 -0.03 0.00 0.00 0.00 0.00 61.98 63.92 1ha3 s VAL 353 Cb -0.16 -4.19 0.07 0.00 0.00 0.00 0.00 36.38 32.10 1ha3 s VAL 353 CO 0.10 0.45 0.05 -1.58 0.00 0.00 0.00 175.10 174.12 1ha3 s GLN 354 N -0.70 0.63 0.70 2.72 2.00 -0.06 -0.60 119.66 124.35 1ha3 s GLN 354 Ca 0.39 -0.53 -0.11 0.00 -2.00 0.00 0.00 55.36 53.11 1ha3 s GLN 354 Cb -0.23 -2.03 0.01 0.00 0.80 0.00 0.00 33.01 31.55 1ha3 s GLN 354 CO 0.27 -0.72 1.07 -0.51 -0.50 0.00 0.00 175.29 174.90 1ha3 s LEU 355 N 1.84 2.99 0.82 3.68 1.43 -1.26 -1.97 118.68 126.21 1ha3 s LEU 355 Ca 0.01 1.35 -0.13 0.00 -1.03 0.00 0.00 54.13 54.34 1ha3 s LEU 355 Cb -0.17 -4.20 0.09 0.00 0.03 0.00 0.00 46.19 41.94 1ha3 s LEU 355 CO -0.13 -1.35 1.20 -2.84 0.23 0.00 0.00 176.35 173.46 1ha3 s PRO 356 N -5.20 1.54 0.28 1.29 0.02 -1.26 -4.86 135.00 126.81 1ha3 s PRO 356 Ca 0.58 1.74 -0.29 0.00 0.02 0.00 0.00 61.00 63.04 1ha3 s PRO 356 Cb -0.12 -1.77 -0.13 0.00 0.02 0.00 0.00 34.50 32.50 1ha3 s PRO 356 CO 0.54 -2.29 1.21 -2.30 -0.33 0.00 0.00 177.00 173.83 1ha3 n PRO 357 N -3.43 1.75 0.00 5.54 -0.02 -1.26 -1.67 135.00 135.91 1ha3 n PRO 357 Ca 0.13 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1ha3 n PRO 357 Cb 0.51 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1ha3 n PRO 357 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ha3 n GLY 358 N 1.38 3.02 3.58 -1.23 0.00 -1.26 -4.99 105.19 105.69 1ha3 n GLY 358 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1ha3 n GLY 358 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ha3 s VAL 359 N -1.54 4.79 -0.26 1.61 1.01 -0.67 -4.93 120.40 120.41 1ha3 s VAL 359 Ca 0.00 0.78 0.23 0.00 0.00 0.00 0.00 61.98 62.99 1ha3 s VAL 359 Cb 0.00 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1ha3 s VAL 359 CO 0.00 -0.39 0.99 -1.84 0.00 0.00 0.00 175.10 173.86 1ha3 n GLU 360 N 6.29 0.57 -3.51 2.72 0.28 -1.26 -4.66 120.64 121.07 1ha3 n GLU 360 Ca 0.02 0.07 -0.15 0.00 -0.16 0.00 0.00 57.16 56.94 1ha3 n GLU 360 Cb 0.48 -1.77 -0.05 0.00 1.43 0.00 0.00 31.44 31.54 1ha3 n GLU 360 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 1ha3 s MET 361 N -3.36 1.02 -0.10 3.44 -1.94 -1.26 -4.31 119.30 112.79 1ha3 s MET 361 Ca -0.01 0.05 0.02 0.00 -1.71 0.00 0.00 55.69 54.04 1ha3 s MET 361 Cb 0.11 0.48 0.01 0.00 2.01 0.00 0.00 34.83 37.44 1ha3 s MET 361 CO 0.80 -0.36 -0.15 0.14 -0.01 0.00 0.00 175.02 175.45 1ha3 s VAL 362 N -1.86 1.42 0.37 -6.03 -7.23 -1.00 -4.97 120.40 101.10 1ha3 s VAL 362 Ca -0.06 -0.61 -0.05 0.00 -1.81 0.00 0.00 61.98 59.46 1ha3 s VAL 362 Cb -0.00 -1.30 -0.05 0.00 0.56 0.00 0.00 36.38 35.59 1ha3 s VAL 362 CO 0.02 0.42 0.65 -0.04 -0.31 0.00 0.00 175.10 175.85 1ha3 s MET 363 N 0.92 3.60 0.32 4.82 -1.94 -1.26 -1.05 119.30 124.71 1ha3 s MET 363 Ca -0.08 0.06 -0.29 0.00 -1.71 0.00 0.00 55.69 53.67 1ha3 s MET 363 Cb -0.15 -2.54 -0.12 0.00 2.01 0.00 0.00 34.83 34.03 1ha3 s MET 363 CO -0.00 0.05 1.43 -2.30 -0.01 0.00 0.00 175.02 174.18 1ha3 n PRO 364 N -1.52 2.37 0.00 2.03 -0.02 -1.26 -1.89 135.00 134.71 1ha3 n PRO 364 Ca -0.01 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1ha3 n PRO 364 Cb 0.55 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1ha3 n PRO 364 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ha3 n GLY 365 N 1.28 1.48 3.90 -1.23 0.00 0.20 -4.80 105.19 106.03 1ha3 n GLY 365 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1ha3 n GLY 365 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ha3 s ASP 366 N -1.77 6.12 -0.28 1.61 1.01 -0.79 -4.90 116.67 117.67 1ha3 s ASP 366 Ca 0.00 0.10 -0.07 0.00 0.71 0.00 0.00 52.55 53.29 1ha3 s ASP 366 Cb 0.00 -1.79 -0.00 0.00 1.01 0.00 0.00 42.92 42.14 1ha3 s ASP 366 CO 0.00 0.06 0.08 0.20 0.21 0.00 0.00 175.17 175.72 1ha3 s ASN 367 N -3.16 5.11 0.36 0.27 0.01 -1.26 -1.55 114.94 114.72 1ha3 s ASN 367 Ca 0.34 -0.53 0.04 0.00 -0.71 0.00 0.00 52.86 51.99 1ha3 s ASN 367 Cb -0.11 -1.90 -0.03 0.00 0.41 0.00 0.00 41.25 39.62 1ha3 s ASN 367 CO 0.27 -0.14 0.13 0.68 -1.51 0.00 0.00 177.10 176.53 1ha3 s VAL 368 N 1.54 0.59 -0.07 1.60 -7.23 0.60 -4.95 120.40 112.47 1ha3 s VAL 368 Ca 0.04 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.22 1ha3 s VAL 368 Cb -0.16 -2.46 0.02 0.00 0.56 0.00 0.00 36.38 34.33 1ha3 s VAL 368 CO 0.03 0.00 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.84 1ha3 s THR 369 N -3.34 0.94 0.33 5.32 2.01 -1.26 0.78 115.64 120.42 1ha3 s THR 369 Ca 0.29 -0.33 -0.03 0.00 0.31 0.00 0.00 61.69 61.94 1ha3 s THR 369 Cb 0.04 -0.91 0.01 0.00 0.01 0.00 0.00 72.50 71.65 1ha3 s THR 369 CO 0.16 0.33 0.49 2.22 -0.69 0.00 0.00 174.62 177.12 1ha3 n PHE 370 N 4.21 -1.48 -4.29 4.92 1.16 -0.87 -4.67 117.46 116.44 1ha3 n PHE 370 Ca -0.20 -2.15 -0.25 0.00 -1.87 0.00 0.00 57.45 52.98 1ha3 n PHE 370 Cb 0.51 0.55 -0.08 0.00 -1.61 0.00 0.00 39.48 38.85 1ha3 n PHE 370 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1ha3 s THR 371 N -2.73 3.33 0.01 1.97 -4.23 -0.83 -0.99 115.64 112.18 1ha3 s THR 371 Ca 0.26 -1.76 0.03 0.00 -1.18 0.00 0.00 61.69 59.04 1ha3 s THR 371 Cb -0.01 -2.71 -0.01 0.00 1.34 0.00 0.00 72.50 71.11 1ha3 s THR 371 CO 0.19 -0.22 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.27 1ha3 s VAL 372 N -1.98 0.65 -0.25 2.29 1.01 0.11 -0.89 120.40 121.35 1ha3 s VAL 372 Ca 0.28 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1ha3 s VAL 372 Cb -0.08 -0.60 0.07 0.00 0.00 0.00 0.00 36.38 35.77 1ha3 s VAL 372 CO 0.17 0.00 -0.01 -0.70 0.00 0.00 0.00 175.10 174.57 1ha3 s GLU 373 N -0.67 1.29 0.54 2.72 2.12 -0.82 -1.41 118.70 122.46 1ha3 s GLU 373 Ca -0.00 -0.96 -0.19 0.00 0.36 0.00 0.00 54.97 54.17 1ha3 s GLU 373 Cb -0.05 -2.46 -0.06 0.00 0.26 0.00 0.00 34.13 31.82 1ha3 s GLU 373 CO 0.00 -0.69 1.09 -0.51 -0.54 0.00 0.00 175.26 174.61 1ha3 s LEU 374 N 1.48 3.73 0.00 2.70 1.43 0.24 -1.16 118.68 127.10 1ha3 s LEU 374 Ca -0.01 2.04 0.28 0.00 -1.03 0.00 0.00 54.13 55.40 1ha3 s LEU 374 Cb -0.18 -4.57 1.10 0.00 0.03 0.00 0.00 46.19 42.57 1ha3 s LEU 374 CO -0.09 -1.08 1.79 2.30 0.23 0.00 0.00 176.35 179.49 1ha3 n ILE 375 N -1.33 0.00 -3.87 -0.59 -5.35 -0.54 -4.80 119.36 102.87 1ha3 n ILE 375 Ca 0.10 -0.05 -0.11 0.00 -0.27 0.00 0.00 62.75 62.42 1ha3 n ILE 375 Cb 0.52 -0.07 -0.12 0.00 -1.74 0.00 0.00 39.64 38.23 1ha3 n ILE 375 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1ha3 s LYS 376 N -2.62 0.25 0.40 6.28 1.02 -1.26 -5.08 119.74 118.73 1ha3 s LYS 376 Ca 0.24 -0.13 -0.25 0.00 0.02 0.00 0.00 55.97 55.84 1ha3 s LYS 376 Cb 0.19 0.11 -0.08 0.00 -0.52 0.00 0.00 37.83 37.53 1ha3 s LYS 376 CO 0.52 -0.05 1.21 -1.25 -0.92 0.00 0.00 175.35 174.86 1ha3 s PRO 377 N -0.59 4.02 0.03 -1.68 0.04 -1.26 -4.78 135.00 130.77 1ha3 s PRO 377 Ca -0.07 1.94 0.02 0.00 0.04 0.00 0.00 61.00 62.93 1ha3 s PRO 377 Cb -0.04 -2.70 -0.02 0.00 0.04 0.00 0.00 34.50 31.78 1ha3 s PRO 377 CO 0.00 -0.38 -0.06 0.08 0.04 0.00 0.00 177.00 176.68 1ha3 s VAL 378 N -1.36 0.44 -0.28 -0.36 1.01 -0.39 0.12 120.40 119.58 1ha3 s VAL 378 Ca 0.57 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 1ha3 s VAL 378 Cb -0.33 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 1ha3 s VAL 378 CO 0.42 -0.32 1.64 0.00 0.00 0.00 0.00 175.10 176.84 1ha3 s ALA 379 N -1.17 3.12 0.16 5.51 0.00 -1.26 -0.53 121.76 127.60 1ha3 s ALA 379 Ca -0.09 0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.27 1ha3 s ALA 379 Cb -0.09 -3.91 -0.04 0.00 0.00 0.00 0.00 23.12 19.08 1ha3 s ALA 379 CO 0.00 -2.21 -0.18 -0.51 0.00 0.00 0.00 175.76 172.86 1ha3 s LEU 380 N 5.73 2.44 -0.02 0.00 1.43 -0.95 -4.95 118.68 122.36 1ha3 s LEU 380 Ca 0.72 -0.86 -0.25 0.00 -1.03 0.00 0.00 54.13 52.71 1ha3 s LEU 380 Cb -0.23 -0.83 0.06 0.00 0.03 0.00 0.00 46.19 45.22 1ha3 s LEU 380 CO 0.31 -0.03 0.56 -1.83 0.23 0.00 0.00 176.35 175.58 1ha3 s GLU 381 N -2.78 0.97 0.41 1.70 -1.05 -1.26 -4.33 118.70 112.36 1ha3 s GLU 381 Ca 0.16 0.04 -0.27 0.00 -0.15 0.00 0.00 54.97 54.75 1ha3 s GLU 381 Cb -0.06 0.45 -0.10 0.00 -0.44 0.00 0.00 34.13 33.98 1ha3 s GLU 381 CO 0.07 -0.31 1.47 -1.21 0.95 0.00 0.00 175.26 176.23 1ha3 s GLU 382 N -1.52 3.90 0.00 -4.83 2.02 -1.26 -2.19 118.70 114.81 1ha3 s GLU 382 Ca -0.10 2.53 0.00 0.00 0.02 0.00 0.00 54.97 57.41 1ha3 s GLU 382 Cb -0.01 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.39 1ha3 s GLU 382 CO 0.06 -0.68 0.00 0.41 0.02 0.00 0.00 175.26 175.06 1ha3 n GLY 383 N 0.50 1.51 3.70 -1.39 0.00 0.89 -4.99 105.19 105.41 1ha3 n GLY 383 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1ha3 n GLY 383 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ha3 s LEU 384 N 0.00 4.33 0.23 0.99 2.96 -0.93 -4.71 118.68 121.54 1ha3 s LEU 384 Ca 0.00 2.13 -0.11 0.00 -0.22 0.00 0.00 54.13 55.94 1ha3 s LEU 384 Cb 0.00 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 43.05 1ha3 s LEU 384 CO 0.00 -0.67 0.56 -0.13 -1.32 0.00 0.00 176.35 174.79 1ha3 s ARG 385 N 1.99 3.84 0.09 1.98 0.52 -1.26 -0.81 118.95 125.30 1ha3 s ARG 385 Ca 0.63 0.33 -0.12 0.00 -0.52 0.00 0.00 55.73 56.05 1ha3 s ARG 385 Cb -0.32 -2.66 0.01 0.00 0.52 0.00 0.00 34.95 32.50 1ha3 s ARG 385 CO 0.27 0.32 0.28 -0.59 0.02 0.00 0.00 175.30 175.61 1ha3 s PHE 386 N -1.79 -0.02 0.26 -0.53 -0.12 -0.55 -4.71 117.98 110.53 1ha3 s PHE 386 Ca 0.47 -0.30 0.09 0.00 -0.05 0.00 0.00 56.93 57.14 1ha3 s PHE 386 Cb -0.12 0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.31 1ha3 s PHE 386 CO 0.21 -0.58 0.01 0.00 -0.05 0.00 0.00 175.22 174.81 1ha3 s ALA 387 N -3.50 3.19 -0.13 1.99 0.00 -1.02 -1.03 121.76 121.25 1ha3 s ALA 387 Ca 0.02 -1.63 0.02 0.00 0.00 0.00 0.00 51.96 50.36 1ha3 s ALA 387 Cb 0.02 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.35 1ha3 s ALA 387 CO -0.09 0.27 -0.20 0.42 0.00 0.00 0.00 175.76 176.16 1ha3 s ILE 388 N -2.30 1.89 0.06 0.00 1.01 0.31 -0.79 121.20 121.37 1ha3 s ILE 388 Ca 0.31 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 60.14 1ha3 s ILE 388 Cb -0.07 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 1ha3 s ILE 388 CO 0.20 0.52 -0.14 -0.13 0.00 0.00 0.00 174.94 175.39 1ha3 s ARG 389 N 0.93 0.83 -0.39 2.79 0.52 -0.39 -0.61 118.95 122.63 1ha3 s ARG 389 Ca -0.06 -0.89 0.04 0.00 -0.52 0.00 0.00 55.73 54.30 1ha3 s ARG 389 Cb -0.15 -0.82 0.11 0.00 0.52 0.00 0.00 34.95 34.61 1ha3 s ARG 389 CO -0.03 0.19 0.12 -2.00 0.02 0.00 0.00 175.30 173.59 1ha3 s GLU 390 N -1.57 1.54 7.92 3.54 2.12 -0.29 -0.71 118.70 131.25 1ha3 s GLU 390 Ca -0.01 -2.01 0.00 0.00 0.36 0.00 0.00 54.97 53.30 1ha3 s GLU 390 Cb -0.09 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.20 1ha3 s GLU 390 CO 0.02 -1.00 0.00 0.41 -0.54 0.00 0.00 175.26 174.15 1ha3 n GLY 391 N 3.97 2.38 1.22 -1.50 0.00 -1.26 -2.83 105.19 107.18 1ha3 n GLY 391 Ca 0.04 -0.41 0.05 0.00 0.00 0.00 0.00 46.02 45.70 1ha3 n GLY 391 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ha3 n GLY 392 N 0.00 3.97 3.11 -0.02 0.00 -1.26 -4.94 105.19 106.04 1ha3 n GLY 392 Ca 0.00 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 1ha3 n GLY 392 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ha3 s ARG 393 N -2.90 2.61 -0.18 1.61 3.52 -1.13 -5.10 118.95 117.38 1ha3 s ARG 393 Ca 0.46 -0.70 -0.29 0.00 -0.13 0.00 0.00 55.73 55.07 1ha3 s ARG 393 Cb 0.37 -2.17 -0.01 0.00 -1.56 0.00 0.00 34.95 31.59 1ha3 s ARG 393 CO 0.09 -0.05 1.22 0.99 -0.81 0.00 0.00 175.30 176.74 1ha3 s THR 394 N 0.94 4.35 -0.25 4.11 2.01 -1.26 -1.13 115.64 124.40 1ha3 s THR 394 Ca -0.06 1.63 0.07 0.00 0.31 0.00 0.00 61.69 63.63 1ha3 s THR 394 Cb -0.15 -4.06 -0.08 0.00 0.01 0.00 0.00 72.50 68.22 1ha3 s THR 394 CO -0.03 -0.16 0.25 1.33 -0.69 0.00 0.00 174.62 175.33 1ha3 n VAL 395 N 5.40 0.00 -3.49 3.82 0.24 0.22 -3.85 118.33 120.67 1ha3 n VAL 395 Ca 0.14 -0.31 -0.12 0.00 -2.04 0.00 0.00 64.34 62.00 1ha3 n VAL 395 Cb 0.45 0.88 -0.03 0.00 -1.47 0.00 0.00 33.84 33.67 1ha3 n VAL 395 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ha3 s GLY 396 N -1.83 -0.51 -0.09 7.63 0.00 -0.77 -1.74 107.32 110.01 1ha3 s GLY 396 Ca 0.02 0.41 -0.01 0.00 0.00 0.00 0.00 44.72 45.13 1ha3 s GLY 396 CO 0.27 0.09 -0.02 0.00 0.00 0.00 0.00 173.10 173.44 1ha3 s ALA 397 N -3.50 0.90 0.35 3.20 0.00 -0.78 -0.53 121.76 121.40 1ha3 s ALA 397 Ca 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 51.96 51.73 1ha3 s ALA 397 Cb -0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 1ha3 s ALA 397 CO -0.10 -0.46 0.15 0.20 0.00 0.00 0.00 175.76 175.55 1ha3 s GLY 398 N 1.89 2.34 -0.04 0.00 0.00 -0.20 -1.11 107.32 110.19 1ha3 s GLY 398 Ca 0.05 -1.59 -0.01 0.00 0.00 0.00 0.00 44.72 43.17 1ha3 s GLY 398 CO -0.06 -1.69 0.08 0.14 0.00 0.00 0.00 173.10 171.56 1ha3 s VAL 399 N -3.39 -0.06 0.03 1.40 1.01 -0.67 -1.48 120.40 117.23 1ha3 s VAL 399 Ca 0.31 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 1ha3 s VAL 399 Cb 0.04 -0.15 -0.07 0.00 0.00 0.00 0.00 36.38 36.19 1ha3 s VAL 399 CO 0.17 0.09 1.69 -0.69 0.00 0.00 0.00 175.10 176.36 1ha3 s VAL 400 N 1.15 3.21 -0.04 2.92 1.01 0.01 -2.06 120.40 126.60 1ha3 s VAL 400 Ca -0.09 0.50 0.14 0.00 0.00 0.00 0.00 61.98 62.53 1ha3 s VAL 400 Cb -0.12 -3.32 -0.21 0.00 0.00 0.00 0.00 36.38 32.73 1ha3 s VAL 400 CO -0.04 -0.02 0.26 0.35 0.00 0.00 0.00 175.10 175.64 1ha3 n THR 401 N 5.04 0.17 -3.64 3.92 -2.24 -0.34 -0.08 114.28 117.12 1ha3 n THR 401 Ca 0.17 -0.36 -0.09 0.00 -2.27 0.00 0.00 64.05 61.50 1ha3 n THR 401 Cb 0.41 0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.59 1ha3 n THR 401 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ha3 s LYS 402 N -2.84 0.72 -0.20 -0.78 2.20 -1.08 -4.87 119.74 112.88 1ha3 s LYS 402 Ca -0.05 1.10 -0.18 0.00 -0.36 0.00 0.00 55.97 56.47 1ha3 s LYS 402 Cb 0.08 0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 36.58 1ha3 s LYS 402 CO 0.57 -0.13 0.51 0.42 -0.36 0.00 0.00 175.35 176.37 1ha3 s ILE 403 N 1.21 5.11 -0.10 5.43 1.01 -1.26 -0.12 121.20 132.47 1ha3 s ILE 403 Ca -0.07 0.94 0.14 0.00 0.00 0.00 0.00 60.65 61.66 1ha3 s ILE 403 Cb -0.05 -3.84 -0.24 0.00 0.01 0.00 0.00 42.46 38.35 1ha3 s ILE 403 CO -0.13 0.17 0.46 0.18 0.00 0.00 0.00 174.94 175.62 1ha3 n LEU 404 N 4.83 0.68 0.00 2.97 4.77 -0.16 -4.95 117.00 125.13 1ha3 n LEU 404 Ca -0.05 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1ha3 n LEU 404 Cb 0.50 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 1ha3 n LEU 404 CO 0.42 0.44 0.00 -1.84 -1.33 0.00 0.00 177.39 175.08