#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2giq s MET 2 N 0.00 4.81 0.36 -0.41 1.00 -1.26 -1.34 119.30 122.45 2giq s MET 2 Ca 0.00 1.51 0.06 0.00 0.00 0.00 0.00 55.69 57.26 2giq s MET 2 Cb 0.00 -3.22 0.68 0.00 0.00 0.00 0.00 34.83 32.29 2giq s MET 2 CO 0.00 0.46 1.92 0.66 0.00 0.00 0.00 175.02 178.06 2giq h SER 3 N 4.02 0.45 -5.05 3.03 4.64 -1.40 -3.41 113.55 115.82 2giq h SER 3 Ca -0.45 -0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 60.68 2giq h SER 3 Cb 1.20 -0.12 -0.18 0.00 -0.31 0.00 0.00 62.40 63.00 2giq h SER 3 CO 0.68 0.49 -0.41 -0.31 -0.87 0.00 0.00 176.83 176.41 2giq s TYR 4 N -5.03 0.05 0.08 4.77 2.02 -1.26 -1.11 117.35 116.86 2giq s TYR 4 Ca -0.07 -0.24 0.07 0.00 -0.37 0.00 0.00 57.07 56.46 2giq s TYR 4 Cb 0.16 -0.03 -0.03 0.00 -0.40 0.00 0.00 41.96 41.66 2giq s TYR 4 CO 0.75 -0.41 -0.20 0.95 -1.57 0.00 0.00 175.55 175.08 2giq s THR 5 N -2.34 1.61 0.10 -0.71 -4.23 -0.58 -4.84 115.64 104.64 2giq s THR 5 Ca -0.07 -1.39 0.06 0.00 -1.18 0.00 0.00 61.69 59.11 2giq s THR 5 Cb -0.02 -1.45 -0.03 0.00 1.34 0.00 0.00 72.50 72.34 2giq s THR 5 CO -0.03 0.00 -0.14 0.26 -0.54 0.00 0.00 174.62 174.17 2giq s TRP 6 N -1.05 1.35 -0.11 3.99 0.52 -1.26 -0.98 118.94 121.40 2giq s TRP 6 Ca 0.06 -0.52 0.22 0.00 0.02 0.00 0.00 56.10 55.87 2giq s TRP 6 Cb -0.10 -0.73 -0.30 0.00 -1.15 0.00 0.00 33.47 31.20 2giq s TRP 6 CO 0.03 0.11 0.56 0.25 0.02 0.00 0.00 176.95 177.93 2giq n THR 7 N 0.79 0.06 0.00 2.01 -2.24 -0.09 -4.90 114.28 109.91 2giq n THR 7 Ca -0.17 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 2giq n THR 7 Cb 0.56 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 2giq n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2giq n GLY 8 N 1.27 2.05 3.73 3.38 0.00 -1.26 -5.07 105.19 109.28 2giq n GLY 8 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 2giq n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2giq n ALA 9 N -1.84 1.46 -2.00 4.61 0.00 -1.26 -4.97 120.51 116.51 2giq n ALA 9 Ca 0.00 0.12 -0.31 0.00 0.00 0.00 0.00 53.44 53.24 2giq n ALA 9 Cb 0.00 -2.34 -0.04 0.00 0.00 0.00 0.00 19.45 17.08 2giq n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2giq s LEU 10 N -3.34 3.75 -0.38 0.00 1.43 -1.26 -4.85 118.68 114.03 2giq s LEU 10 Ca 0.72 1.37 -0.26 0.00 -1.03 0.00 0.00 54.13 54.93 2giq s LEU 10 Cb -0.42 -4.28 0.02 0.00 0.03 0.00 0.00 46.19 41.54 2giq s LEU 10 CO 0.49 -0.47 0.96 -0.63 0.23 0.00 0.00 176.35 176.92 2giq s ILE 11 N -2.46 4.53 0.08 -0.59 1.01 -1.26 -4.80 121.20 117.71 2giq s ILE 11 Ca 0.56 1.19 0.02 0.00 0.00 0.00 0.00 60.65 62.41 2giq s ILE 11 Cb -0.10 -4.38 -0.04 0.00 0.01 0.00 0.00 42.46 37.95 2giq s ILE 11 CO 0.29 -0.61 0.16 0.42 0.00 0.00 0.00 174.94 175.20 2giq s THR 12 N 3.61 5.00 0.81 2.92 -4.23 -1.26 -4.87 115.64 117.62 2giq s THR 12 Ca 0.39 -0.59 -0.12 0.00 -1.18 0.00 0.00 61.69 60.20 2giq s THR 12 Cb -0.11 -3.44 0.08 0.00 1.34 0.00 0.00 72.50 70.37 2giq s THR 12 CO 0.20 0.11 1.18 -2.16 -0.54 0.00 0.00 174.62 173.41 2giq s PRO 13 N -2.53 1.94 -0.14 3.99 0.04 -1.26 -4.38 135.00 132.66 2giq s PRO 13 Ca 0.32 0.12 0.12 0.00 0.04 0.00 0.00 61.00 61.61 2giq s PRO 13 Cb -0.12 -1.95 -0.24 0.00 0.04 0.00 0.00 34.50 32.23 2giq s PRO 13 CO 0.25 -1.61 0.29 0.00 0.04 0.00 0.00 177.00 175.97 2giq s ALA 15 N -2.54 0.70 0.19 0.00 0.00 -1.26 -5.13 121.76 113.72 2giq s ALA 15 Ca -0.12 -1.48 -0.33 0.00 0.00 0.00 0.00 51.96 50.03 2giq s ALA 15 Cb 0.07 1.14 -0.14 0.00 0.00 0.00 0.00 23.12 24.19 2giq s ALA 15 CO 0.80 -0.80 1.40 0.00 0.00 0.00 0.00 175.76 177.16 2giq n ALA 16 N -0.56 0.62 -2.53 0.00 0.00 -1.26 -4.99 120.51 111.79 2giq n ALA 16 Ca 0.01 0.44 -0.32 0.00 0.00 0.00 0.00 53.44 53.57 2giq n ALA 16 Cb 0.61 -2.23 -0.12 0.00 0.00 0.00 0.00 19.45 17.72 2giq n ALA 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2giq s GLU 17 N 0.04 2.42 -0.06 0.00 2.02 -1.26 -5.13 118.70 116.72 2giq s GLU 17 Ca 0.74 -0.78 0.02 0.00 0.02 0.00 0.00 54.97 54.96 2giq s GLU 17 Cb -0.73 -2.39 -0.03 0.00 0.10 0.00 0.00 34.13 31.09 2giq s GLU 17 CO 0.47 0.59 -0.10 -1.21 0.02 0.00 0.00 175.26 175.03 2giq s GLU 18 N -1.24 2.68 -0.09 1.61 2.02 -1.26 -5.02 118.70 117.41 2giq s GLU 18 Ca 0.15 -0.60 0.09 0.00 0.02 0.00 0.00 54.97 54.63 2giq s GLU 18 Cb -0.11 -2.52 -0.13 0.00 0.10 0.00 0.00 34.13 31.47 2giq s GLU 18 CO 0.05 0.63 0.07 -1.13 0.02 0.00 0.00 175.26 174.90 2giq n SER 19 N 2.30 2.53 -4.77 -0.19 3.41 -1.26 -4.60 113.62 111.04 2giq n SER 19 Ca -0.18 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.04 2giq n SER 19 Cb 0.53 0.87 -0.06 0.00 -0.26 0.00 0.00 64.21 65.29 2giq n SER 19 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2giq s LYS 20 N -2.32 4.47 -0.12 4.33 1.02 -1.26 -0.88 119.74 124.98 2giq s LYS 20 Ca -0.05 1.03 -0.33 0.00 0.02 0.00 0.00 55.97 56.65 2giq s LYS 20 Cb 0.04 -3.29 -0.10 0.00 -0.52 0.00 0.00 37.83 33.95 2giq s LYS 20 CO 0.42 0.49 2.00 -0.11 -0.92 0.00 0.00 175.35 177.22 2giq n LEU 21 N 2.03 3.39 -4.77 3.17 7.94 -1.25 -4.92 117.00 122.59 2giq n LEU 21 Ca -0.06 0.76 -0.39 0.00 -1.11 0.00 0.00 56.01 55.21 2giq n LEU 21 Cb 0.50 -1.42 -0.02 0.00 0.53 0.00 0.00 43.42 43.01 2giq n LEU 21 CO 0.45 -0.20 0.90 -2.84 -1.11 0.00 0.00 177.39 174.60 2giq s PRO 22 N 4.82 4.15 -0.08 1.96 0.02 -1.26 -5.03 135.00 139.58 2giq s PRO 22 Ca 0.96 2.01 0.04 0.00 0.02 0.00 0.00 61.00 64.03 2giq s PRO 22 Cb -0.60 -2.83 -0.01 0.00 0.02 0.00 0.00 34.50 31.07 2giq s PRO 22 CO 0.47 -0.29 -0.22 0.42 -0.33 0.00 0.00 177.00 177.05 2giq s ILE 23 N -1.29 2.28 0.00 2.83 -1.09 -1.26 -4.73 121.20 117.94 2giq s ILE 23 Ca 0.54 -0.97 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 2giq s ILE 23 Cb -0.35 -1.86 0.00 0.00 -1.58 0.00 0.00 42.46 38.67 2giq s ILE 23 CO 0.45 0.56 0.00 -0.46 -1.23 0.00 0.00 174.94 174.26 2giq n ASN 24 N 3.13 0.75 0.29 3.58 6.94 -1.26 -5.02 115.26 123.67 2giq n ASN 24 Ca -0.18 -0.71 0.16 0.00 -0.02 0.00 0.00 54.58 53.83 2giq n ASN 24 Cb 0.52 0.00 0.88 0.00 -2.36 0.00 0.00 39.78 38.83 2giq n ASN 24 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2giq h ALA 25 N 1.00 1.23 0.00 -2.53 0.00 -2.00 -2.76 119.26 114.20 2giq h ALA 25 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2giq h ALA 25 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2giq h ALA 25 CO 0.00 0.07 -1.16 1.28 0.00 0.00 0.00 179.25 179.44 2giq n LEU 26 N -3.48 0.58 -0.03 0.00 4.77 -1.26 -4.58 117.00 112.99 2giq n LEU 26 Ca -0.02 -0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 55.82 2giq n LEU 26 Cb 0.17 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2giq n LEU 26 CO 0.27 0.05 0.86 0.28 -1.33 0.00 0.00 177.39 177.51 2giq h SER 27 N 0.00 -0.08 0.72 -1.43 0.02 -1.82 -2.48 113.55 108.48 2giq h SER 27 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2giq h SER 27 Cb 0.75 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.37 2giq h SER 27 CO 0.00 -0.02 0.00 0.78 -1.14 0.00 0.00 176.83 176.45 2giq h ASN 28 N 0.05 0.00 0.56 3.07 2.35 -1.78 -1.40 115.58 118.43 2giq h ASN 28 Ca 0.08 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.79 2giq h ASN 28 Cb 0.11 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2giq h ASN 28 CO -0.15 0.00 -0.22 0.77 -1.65 0.00 0.00 177.43 176.18 2giq h SER 29 N 0.00 0.00 0.00 5.81 4.64 -1.73 -3.34 113.55 118.93 2giq h SER 29 Ca 0.00 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.89 2giq h SER 29 Cb 0.36 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.38 2giq h SER 29 CO 0.00 0.22 -2.50 -0.11 -0.87 0.00 0.00 176.83 173.57 2giq n LEU 30 N -3.65 2.29 -3.68 5.97 7.94 -0.65 -4.69 117.00 120.54 2giq n LEU 30 Ca -0.01 0.17 -0.12 0.00 -1.11 0.00 0.00 56.01 54.93 2giq n LEU 30 Cb 0.34 -0.83 -0.12 0.00 0.53 0.00 0.00 43.42 43.34 2giq n LEU 30 CO 0.33 0.70 -0.10 -0.22 -1.11 0.00 0.00 177.39 176.99 2giq s LEU 31 N -7.13 -0.20 -0.07 -1.96 0.20 -0.62 -4.20 118.68 104.71 2giq s LEU 31 Ca -0.37 0.66 0.21 0.00 0.69 0.00 0.00 54.13 55.32 2giq s LEU 31 Cb 0.13 0.85 -0.32 0.00 -0.43 0.00 0.00 46.19 46.41 2giq s LEU 31 CO 0.52 -0.22 0.39 0.54 -0.29 0.00 0.00 176.35 177.28 2giq n ARG 32 N 5.06 0.67 -2.47 1.98 1.74 -0.42 -4.24 116.66 118.98 2giq n ARG 32 Ca -0.11 -0.16 -0.43 0.00 -0.77 0.00 0.00 57.85 56.38 2giq n ARG 32 Cb 0.51 -1.52 0.01 0.00 -1.02 0.00 0.00 32.46 30.43 2giq n ARG 32 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2giq n HIS 33 N -2.37 2.77 -0.04 -1.55 8.25 -0.80 -4.80 115.22 116.67 2giq n HIS 33 Ca -0.10 -2.74 0.03 0.00 -0.26 0.00 0.00 57.72 54.65 2giq n HIS 33 Cb 0.70 -1.80 0.38 0.00 1.12 0.00 0.00 29.99 30.39 2giq n HIS 33 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2giq h HIS 34 N 5.66 0.61 0.00 4.41 3.86 -1.86 -1.98 115.15 125.86 2giq h HIS 34 Ca 0.35 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 2giq h HIS 34 Cb 0.62 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.89 2giq h HIS 34 CO 1.20 0.40 0.00 0.09 0.86 0.00 0.00 177.93 180.49 2giq n ASN 35 N -4.45 0.46 0.07 2.45 3.02 -1.26 -1.91 115.26 113.65 2giq n ASN 35 Ca 0.04 0.66 0.13 0.00 -0.03 0.00 0.00 54.58 55.38 2giq n ASN 35 Cb 0.07 -0.74 0.37 0.00 -0.61 0.00 0.00 39.78 38.87 2giq n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2giq n MET 36 N -2.06 0.22 -4.16 3.52 2.81 -0.74 -4.84 117.12 111.87 2giq n MET 36 Ca 0.01 0.14 -0.35 0.00 -1.81 0.00 0.00 57.70 55.69 2giq n MET 36 Cb 0.13 -1.71 -0.09 0.00 -0.71 0.00 0.00 33.22 30.83 2giq n MET 36 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2giq s VAL 37 N -3.10 4.65 0.10 2.03 1.01 -0.80 -0.43 120.40 123.86 2giq s VAL 37 Ca 0.10 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 2giq s VAL 37 Cb 0.14 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.49 2giq s VAL 37 CO 0.62 0.54 0.22 -0.72 0.00 0.00 0.00 175.10 175.77 2giq s TYR 38 N -0.33 0.14 -0.04 5.22 1.13 -0.69 -3.97 117.35 118.82 2giq s TYR 38 Ca 0.08 -0.56 0.03 0.00 -1.41 0.00 0.00 57.07 55.21 2giq s TYR 38 Cb -0.12 -0.03 -0.03 0.00 -1.10 0.00 0.00 41.96 40.68 2giq s TYR 38 CO 0.02 -0.58 -0.10 0.00 -2.51 0.00 0.00 175.55 172.38 2giq s ALA 39 N -3.87 2.87 0.51 9.51 0.00 -0.05 -0.89 121.76 129.84 2giq s ALA 39 Ca 0.06 -0.97 -0.21 0.00 0.00 0.00 0.00 51.96 50.84 2giq s ALA 39 Cb 0.04 -1.09 -0.07 0.00 0.00 0.00 0.00 23.12 22.00 2giq s ALA 39 CO -0.10 0.58 1.11 0.95 0.00 0.00 0.00 175.76 178.30 2giq s THR 40 N -0.84 3.33 0.25 0.00 -4.23 0.00 -4.46 115.64 109.68 2giq s THR 40 Ca 0.13 0.87 0.02 0.00 -1.18 0.00 0.00 61.69 61.53 2giq s THR 40 Cb -0.11 -3.37 -0.04 0.00 1.34 0.00 0.00 72.50 70.32 2giq s THR 40 CO 0.03 -0.14 0.17 0.42 -0.54 0.00 0.00 174.62 174.57 2giq s THR 41 N -1.77 0.04 0.64 3.99 -4.23 -1.26 -4.02 115.64 109.03 2giq s THR 41 Ca 0.69 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 59.55 2giq s THR 41 Cb -0.23 -2.50 0.38 0.00 1.34 0.00 0.00 72.50 71.48 2giq s THR 41 CO 0.27 0.00 2.15 0.77 -0.54 0.00 0.00 174.62 177.27 2giq h SER 42 N 2.44 0.00 -0.57 3.99 4.64 -1.87 -2.65 113.55 119.54 2giq h SER 42 Ca -0.33 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.15 2giq h SER 42 Cb 1.24 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.31 2giq h SER 42 CO 0.48 0.00 0.41 0.03 -0.87 0.00 0.00 176.83 176.88 2giq h ARG 43 N 0.00 0.05 -0.02 4.77 3.08 -1.96 -1.37 114.38 118.93 2giq h ARG 43 Ca 0.03 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2giq h ARG 43 Cb 0.35 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2giq h ARG 43 CO -0.00 0.03 -0.29 -1.13 -1.07 0.00 0.00 179.97 177.51 2giq n SER 44 N -4.39 1.85 -0.29 7.04 3.41 -1.00 -4.51 113.62 115.73 2giq n SER 44 Ca 0.11 -1.42 0.18 0.00 -0.26 0.00 0.00 58.87 57.48 2giq n SER 44 Cb 0.61 0.26 0.46 0.00 -0.26 0.00 0.00 64.21 65.28 2giq n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2giq h ALA 45 N 4.01 2.07 -0.49 7.33 0.00 -1.37 -0.85 119.26 129.96 2giq h ALA 45 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2giq h ALA 45 Cb 0.70 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2giq h ALA 45 CO 0.00 -0.41 0.24 0.78 0.00 0.00 0.00 179.25 179.86 2giq h GLY 46 N 0.50 0.73 0.85 0.00 0.00 -1.79 0.25 103.07 103.60 2giq h GLY 46 Ca 0.53 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 47.46 2giq h GLY 46 CO -0.26 0.31 -0.13 -2.00 0.00 0.00 0.00 176.54 174.47 2giq h LEU 47 N 0.68 0.52 -0.74 3.11 5.85 -1.49 -2.85 115.31 120.40 2giq h LEU 47 Ca 0.17 -0.42 0.05 0.00 0.84 0.00 0.00 57.88 58.53 2giq h LEU 47 Cb 0.07 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 2giq h LEU 47 CO -0.02 0.82 0.44 -0.09 -0.34 0.00 0.00 178.44 179.25 2giq h ARG 48 N 0.22 0.79 -0.61 1.25 9.65 -1.28 -2.02 114.38 122.38 2giq h ARG 48 Ca 0.05 -0.05 0.11 0.00 -1.10 0.00 0.00 59.98 58.99 2giq h ARG 48 Cb 0.63 -0.18 -0.08 0.00 -1.39 0.00 0.00 29.97 28.95 2giq h ARG 48 CO 0.04 0.52 0.16 1.96 2.80 0.00 0.00 179.97 185.46 2giq h GLN 49 N 0.82 0.30 -0.49 0.20 4.20 -0.88 -1.43 115.11 117.82 2giq h GLN 49 Ca 0.32 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.99 2giq h GLN 49 Cb 0.14 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 2giq h GLN 49 CO -0.16 0.20 0.20 0.87 -0.67 0.00 0.00 178.83 179.27 2giq h LYS 50 N 0.31 0.73 -0.64 1.46 1.57 -1.19 -3.02 116.57 115.78 2giq h LYS 50 Ca 0.32 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 2giq h LYS 50 Cb 0.45 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 2giq h LYS 50 CO -0.38 0.64 0.31 0.87 -0.57 0.00 0.00 179.45 180.32 2giq h LYS 51 N 0.65 0.91 -0.18 3.15 1.57 -0.61 -2.95 116.57 119.11 2giq h LYS 51 Ca 0.16 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2giq h LYS 51 Cb 0.18 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2giq h LYS 51 CO -0.01 0.70 0.00 1.33 -0.57 0.00 0.00 179.45 180.90 2giq n VAL 52 N -4.35 0.22 -3.66 0.50 0.24 -0.63 -4.83 118.33 105.83 2giq n VAL 52 Ca 0.06 -0.48 -0.39 0.00 -2.04 0.00 0.00 64.34 61.49 2giq n VAL 52 Cb 0.13 0.80 -0.12 0.00 -1.47 0.00 0.00 33.84 33.18 2giq n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2giq s THR 53 N -1.78 4.50 0.11 3.34 2.01 -1.11 -4.69 115.64 118.03 2giq s THR 53 Ca 0.34 -0.57 -0.25 0.00 0.31 0.00 0.00 61.69 61.52 2giq s THR 53 Cb 0.20 -3.35 0.07 0.00 0.01 0.00 0.00 72.50 69.43 2giq s THR 53 CO 0.30 -0.01 0.84 0.72 -0.69 0.00 0.00 174.62 175.78 2giq s PHE 54 N 1.58 -0.29 0.16 4.92 -0.12 -1.26 -4.97 117.98 118.00 2giq s PHE 54 Ca 0.04 0.04 -0.27 0.00 -0.05 0.00 0.00 56.93 56.69 2giq s PHE 54 Cb -0.18 0.60 -0.08 0.00 -0.63 0.00 0.00 43.02 42.74 2giq s PHE 54 CO 0.06 -0.78 0.84 0.34 -0.05 0.00 0.00 175.22 175.63 2giq s ASP 55 N -2.74 7.45 -0.16 1.98 2.15 -1.26 -1.09 116.67 123.00 2giq s ASP 55 Ca 0.07 1.72 -0.02 0.00 0.43 0.00 0.00 52.55 54.75 2giq s ASP 55 Cb -0.02 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 40.05 2giq s ASP 55 CO -0.04 0.13 -0.09 -0.13 -0.17 0.00 0.00 175.17 174.88 2giq s ARG 56 N -0.86 3.44 0.00 4.34 3.00 -0.45 -4.96 118.95 123.47 2giq s ARG 56 Ca 0.39 -0.63 0.05 0.00 0.00 0.00 0.00 55.73 55.54 2giq s ARG 56 Cb -0.24 -2.80 -0.03 0.00 0.00 0.00 0.00 34.95 31.88 2giq s ARG 56 CO 0.28 0.09 -0.15 -0.51 0.00 0.00 0.00 175.30 175.02 2giq s LEU 57 N 0.69 2.75 -0.03 2.53 1.02 -1.26 -4.67 118.68 119.71 2giq s LEU 57 Ca -0.04 -0.29 -0.00 0.00 0.02 0.00 0.00 54.13 53.81 2giq s LEU 57 Cb -0.15 -1.59 0.03 0.00 0.02 0.00 0.00 46.19 44.50 2giq s LEU 57 CO 0.02 0.29 0.03 -1.58 0.02 0.00 0.00 176.35 175.14 2giq s GLN 58 N -1.18 0.02 -0.19 1.70 0.74 -1.26 -4.15 119.66 115.35 2giq s GLN 58 Ca 0.14 0.22 0.01 0.00 0.05 0.00 0.00 55.36 55.78 2giq s GLN 58 Cb -0.11 -0.37 0.04 0.00 1.10 0.00 0.00 33.01 33.67 2giq s GLN 58 CO 0.04 -0.21 -0.13 0.08 -0.55 0.00 0.00 175.29 174.52 2giq s VAL 59 N 1.38 1.73 -0.19 1.34 1.01 0.25 -5.03 120.40 120.89 2giq s VAL 59 Ca -0.05 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 2giq s VAL 59 Cb -0.13 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 2giq s VAL 59 CO -0.03 0.27 -0.06 -0.76 0.00 0.00 0.00 175.10 174.52 2giq s LEU 60 N 1.38 2.90 0.00 3.92 1.43 -1.26 -4.34 118.68 122.71 2giq s LEU 60 Ca 0.00 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 2giq s LEU 60 Cb -0.15 -1.71 0.02 0.00 0.03 0.00 0.00 46.19 44.37 2giq s LEU 60 CO -0.09 0.05 0.18 -0.90 0.23 0.00 0.00 176.35 175.81 2giq n ASP 61 N 4.33 2.14 0.15 2.29 5.75 -1.26 -4.99 116.55 124.96 2giq n ASP 61 Ca -0.18 -2.09 0.03 0.00 -0.01 0.00 0.00 54.79 52.54 2giq n ASP 61 Cb 0.51 0.02 0.40 0.00 -1.03 0.00 0.00 41.12 41.03 2giq n ASP 61 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2giq h ASP 62 N 0.43 0.15 -0.77 -1.12 3.32 -1.99 -2.44 116.42 113.99 2giq h ASP 62 Ca -0.20 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 2giq h ASP 62 Cb 0.70 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 2giq h ASP 62 CO 0.32 0.35 0.37 0.45 -1.72 0.00 0.00 179.24 179.01 2giq h HIS 63 N 0.14 1.12 0.03 4.55 3.86 -1.96 -0.35 115.15 122.54 2giq h HIS 63 Ca 0.03 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2giq h HIS 63 Cb 0.43 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.56 2giq h HIS 63 CO 0.00 0.82 -0.01 -0.92 0.86 0.00 0.00 177.93 178.68 2giq h TYR 64 N 1.09 -0.04 -0.06 2.45 3.20 -1.78 -2.25 116.97 119.57 2giq h TYR 64 Ca 0.26 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.05 2giq h TYR 64 Cb 0.13 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 2giq h TYR 64 CO 0.01 0.13 -0.34 0.00 -1.64 0.00 0.00 178.16 176.32 2giq h ARG 65 N -0.20 0.12 -0.20 1.82 3.08 -1.29 -1.56 114.38 116.17 2giq h ARG 65 Ca -0.00 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 2giq h ARG 65 Cb 0.18 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2giq h ARG 65 CO 0.01 0.45 -0.03 -0.44 -1.07 0.00 0.00 179.97 178.89 2giq h ASP 66 N 0.11 0.36 -0.58 7.04 3.32 -1.01 -0.90 116.42 124.76 2giq h ASP 66 Ca 0.01 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.68 2giq h ASP 66 Cb 0.65 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2giq h ASP 66 CO 0.05 0.62 0.19 0.58 -1.72 0.00 0.00 179.24 178.96 2giq h VAL 67 N 0.10 1.24 -0.95 -1.35 2.07 -1.28 -2.48 116.25 113.60 2giq h VAL 67 Ca 0.05 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.78 2giq h VAL 67 Cb 0.45 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 2giq h VAL 67 CO 0.02 0.30 0.62 0.25 0.02 0.00 0.00 177.57 178.78 2giq h LEU 68 N 0.82 1.10 -0.93 2.57 5.85 -1.13 -0.82 115.31 122.77 2giq h LEU 68 Ca 0.19 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 2giq h LEU 68 Cb 0.27 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2giq h LEU 68 CO -0.01 0.81 0.28 0.50 -0.34 0.00 0.00 178.44 179.68 2giq h LYS 69 N 1.29 1.06 -0.46 1.25 3.64 -0.87 -0.73 116.57 121.76 2giq h LYS 69 Ca 0.35 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 2giq h LYS 69 Cb -0.13 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.49 2giq h LYS 69 CO -0.07 0.87 0.19 0.93 -2.27 0.00 0.00 179.45 179.09 2giq h GLU 70 N 1.04 0.68 -0.56 1.90 5.08 -0.90 -1.90 114.58 119.93 2giq h GLU 70 Ca 0.24 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2giq h GLU 70 Cb 0.20 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2giq h GLU 70 CO -0.02 0.62 0.28 0.52 -1.00 0.00 0.00 179.01 179.41 2giq h MET 71 N 0.60 0.80 -0.38 2.33 2.86 -0.82 -2.75 114.93 117.57 2giq h MET 71 Ca 0.15 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 2giq h MET 71 Cb 0.18 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2giq h MET 71 CO -0.01 0.64 -0.05 0.87 1.06 0.00 0.00 176.91 179.42 2giq h LYS 72 N 0.76 0.62 -0.63 1.72 1.57 -0.93 -1.12 116.57 118.56 2giq h LYS 72 Ca 0.19 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2giq h LYS 72 Cb 0.09 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 2giq h LYS 72 CO -0.03 0.68 0.40 0.00 -0.57 0.00 0.00 179.45 179.93 2giq h ALA 73 N 1.37 0.81 -0.29 3.86 0.00 -1.11 -1.58 119.26 122.33 2giq h ALA 73 Ca 0.11 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 2giq h ALA 73 Cb 0.44 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2giq h ALA 73 CO 0.02 0.17 -0.52 0.87 0.00 0.00 0.00 179.25 179.79 2giq h LYS 74 N 0.80 0.86 -0.74 0.00 1.57 -1.20 -3.01 116.57 114.85 2giq h LYS 74 Ca 0.25 -0.54 0.12 0.00 -1.87 0.00 0.00 60.65 58.60 2giq h LYS 74 Cb -0.02 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 2giq h LYS 74 CO -0.08 1.18 0.49 0.00 -0.57 0.00 0.00 179.45 180.47 2giq h ALA 75 N 0.68 1.98 0.00 3.86 0.00 -0.98 -2.08 119.26 122.72 2giq h ALA 75 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2giq h ALA 75 Cb 1.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2giq h ALA 75 CO 0.12 -0.16 0.00 0.43 0.00 0.00 0.00 179.25 179.64 2giq n SER 76 N -4.49 0.00 -0.09 0.00 7.64 -0.61 -1.47 113.62 114.59 2giq n SER 76 Ca 0.13 -0.01 0.12 0.00 1.01 0.00 0.00 58.87 60.12 2giq n SER 76 Cb 0.44 -0.22 0.17 0.00 -1.01 0.00 0.00 64.21 63.59 2giq n SER 76 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2giq n THR 77 N -1.22 0.00 -2.95 0.44 -2.24 -0.78 -4.76 114.28 102.77 2giq n THR 77 Ca 0.07 -0.05 -0.40 0.00 -2.27 0.00 0.00 64.05 61.39 2giq n THR 77 Cb 0.08 0.54 -0.05 0.00 -2.10 0.00 0.00 70.33 68.80 2giq n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2giq s VAL 78 N -2.85 4.83 -0.15 2.28 1.01 -0.54 -4.97 120.40 120.01 2giq s VAL 78 Ca 0.14 1.65 -0.02 0.00 0.00 0.00 0.00 61.98 63.75 2giq s VAL 78 Cb 0.18 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 2giq s VAL 78 CO 0.69 0.30 -0.08 -0.75 0.00 0.00 0.00 175.10 175.26 2giq s LYS 79 N 0.34 3.48 0.03 2.72 2.20 -1.26 -0.30 119.74 126.94 2giq s LYS 79 Ca 0.40 -0.62 0.07 0.00 -0.36 0.00 0.00 55.97 55.46 2giq s LYS 79 Cb -0.20 -2.79 -0.02 0.00 -1.51 0.00 0.00 37.83 33.30 2giq s LYS 79 CO 0.22 0.15 -0.20 0.00 -0.36 0.00 0.00 175.35 175.17 2giq s ALA 80 N 0.55 1.65 0.15 3.13 0.00 -0.62 -4.95 121.76 121.67 2giq s ALA 80 Ca -0.06 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 50.97 2giq s ALA 80 Cb -0.15 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 2giq s ALA 80 CO 0.03 0.37 0.19 -1.59 0.00 0.00 0.00 175.76 174.77 2giq s LYS 81 N -0.98 3.13 0.16 0.00 -2.85 -1.26 -4.43 119.74 113.50 2giq s LYS 81 Ca 0.07 -0.73 -0.30 0.00 -1.00 0.00 0.00 55.97 54.01 2giq s LYS 81 Cb -0.08 -2.80 -0.07 0.00 -2.06 0.00 0.00 37.83 32.82 2giq s LYS 81 CO 0.01 0.51 0.97 -1.17 0.10 0.00 0.00 175.35 175.77 2giq s LEU 82 N -3.06 4.55 0.29 2.77 2.96 -1.26 -4.53 118.68 120.39 2giq s LEU 82 Ca 0.32 1.88 -0.20 0.00 -0.22 0.00 0.00 54.13 55.91 2giq s LEU 82 Cb -0.11 -3.60 -0.09 0.00 0.50 0.00 0.00 46.19 42.89 2giq s LEU 82 CO 0.25 -0.01 0.80 -0.76 -1.32 0.00 0.00 176.35 175.31 2giq s LEU 83 N -0.44 4.24 0.85 -0.68 1.02 -0.67 -5.06 118.68 117.94 2giq s LEU 83 Ca 0.45 1.51 -0.11 0.00 0.02 0.00 0.00 54.13 56.00 2giq s LEU 83 Cb -0.25 -3.88 0.10 0.00 0.02 0.00 0.00 46.19 42.18 2giq s LEU 83 CO 0.31 -0.08 1.09 -0.94 0.02 0.00 0.00 176.35 176.75 2giq s SER 84 N -1.83 3.85 0.25 2.29 1.04 -1.26 -4.69 113.70 113.34 2giq s SER 84 Ca 0.49 1.67 -0.04 0.00 0.48 0.00 0.00 55.95 58.55 2giq s SER 84 Cb -0.15 -2.35 0.39 0.00 0.10 0.00 0.00 66.02 64.01 2giq s SER 84 CO 0.20 -2.43 1.83 0.58 0.98 0.00 0.00 173.24 174.40 2giq h VAL 85 N -1.40 0.96 -0.50 5.02 2.07 -1.97 -2.07 116.25 118.35 2giq h VAL 85 Ca -0.47 -0.30 -0.10 0.00 0.82 0.00 0.00 66.70 66.66 2giq h VAL 85 Cb 1.26 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2giq h VAL 85 CO 0.52 0.16 -0.07 -0.33 0.02 0.00 0.00 177.57 177.87 2giq h GLU 86 N 0.87 0.94 -0.70 1.57 3.07 -1.99 -0.82 114.58 117.52 2giq h GLU 86 Ca 0.40 -0.34 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 2giq h GLU 86 Cb 0.30 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 2giq h GLU 86 CO -0.22 1.00 0.46 0.93 -1.40 0.00 0.00 179.01 179.77 2giq h GLU 87 N 0.80 0.93 -0.53 2.33 5.08 -1.85 -2.51 114.58 118.83 2giq h GLU 87 Ca 0.13 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 2giq h GLU 87 Cb 0.62 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2giq h GLU 87 CO 0.04 0.63 -0.14 0.00 -1.00 0.00 0.00 179.01 178.54 2giq h ALA 88 N 1.25 0.74 -0.89 3.43 0.00 -1.11 -2.91 119.26 119.77 2giq h ALA 88 Ca 0.26 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2giq h ALA 88 Cb -0.10 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 2giq h ALA 88 CO -0.05 0.68 0.58 0.00 0.00 0.00 0.00 179.25 180.45 2giq n LYS 90 N -4.52 0.07 0.00 0.00 4.76 -0.96 -1.78 118.16 115.73 2giq n LYS 90 Ca 0.11 0.27 0.14 0.00 -2.87 0.00 0.00 58.31 55.97 2giq n LYS 90 Cb 0.08 -1.63 0.63 0.00 -1.84 0.00 0.00 35.03 32.27 2giq n LYS 90 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2giq n LEU 91 N -1.76 1.08 -4.70 -0.35 4.77 -0.89 -4.87 117.00 110.27 2giq n LEU 91 Ca 0.04 -0.35 -0.41 0.00 -0.03 0.00 0.00 56.01 55.26 2giq n LEU 91 Cb 0.22 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 2giq n LEU 91 CO 0.18 0.18 0.54 -0.89 -1.33 0.00 0.00 177.39 176.07 2giq s THR 92 N -2.03 4.95 0.37 -5.08 2.01 -0.73 -0.01 115.64 115.10 2giq s THR 92 Ca 0.40 1.67 -0.28 0.00 0.31 0.00 0.00 61.69 63.79 2giq s THR 92 Cb 0.21 -4.15 -0.11 0.00 0.01 0.00 0.00 72.50 68.47 2giq s THR 92 CO 0.36 0.16 1.44 -2.84 -0.69 0.00 0.00 174.62 173.05 2giq s PRO 93 N 1.24 4.17 0.57 4.92 0.02 -1.26 -4.75 135.00 139.91 2giq s PRO 93 Ca 0.42 2.49 0.26 0.00 0.02 0.00 0.00 61.00 64.19 2giq s PRO 93 Cb -0.18 -2.99 1.60 0.00 0.02 0.00 0.00 34.50 32.94 2giq s PRO 93 CO 0.19 -0.45 2.13 -1.35 -0.33 0.00 0.00 177.00 177.20 2giq h PRO 94 N 3.10 0.00 -0.41 5.54 0.11 -1.96 -1.77 132.00 136.62 2giq h PRO 94 Ca -0.50 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.46 2giq h PRO 94 Cb 1.24 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.26 2giq h PRO 94 CO 0.64 0.00 0.04 0.72 -0.21 0.00 0.00 178.00 179.20 2giq n HIS 95 N -4.01 1.32 -1.85 0.65 8.25 -1.26 -4.06 115.22 114.26 2giq n HIS 95 Ca 0.01 -1.31 -0.37 0.00 -0.26 0.00 0.00 57.72 55.79 2giq n HIS 95 Cb 0.26 -0.48 0.05 0.00 1.12 0.00 0.00 29.99 30.94 2giq n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2giq s SER 96 N -2.07 5.02 0.15 0.41 0.15 -0.67 -4.90 113.70 111.80 2giq s SER 96 Ca 0.46 2.59 -0.34 0.00 0.70 0.00 0.00 55.95 59.36 2giq s SER 96 Cb 0.39 -2.62 -0.14 0.00 -1.71 0.00 0.00 66.02 61.94 2giq s SER 96 CO 0.05 -1.72 1.58 0.00 1.20 0.00 0.00 173.24 174.35 2giq n ALA 97 N -1.50 1.29 -1.24 5.45 0.00 -1.26 -4.29 120.51 118.96 2giq n ALA 97 Ca 0.13 0.45 -0.34 0.00 0.00 0.00 0.00 53.44 53.68 2giq n ALA 97 Cb 0.48 -2.35 0.11 0.00 0.00 0.00 0.00 19.45 17.68 2giq n ALA 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2giq s LYS 98 N 0.96 1.96 0.53 0.00 -2.85 -1.26 -4.55 119.74 114.53 2giq s LYS 98 Ca 0.79 1.69 -0.19 0.00 -1.00 0.00 0.00 55.97 57.26 2giq s LYS 98 Cb -0.69 -1.82 -0.06 0.00 -2.06 0.00 0.00 37.83 33.20 2giq s LYS 98 CO 0.38 -1.96 1.09 0.45 0.10 0.00 0.00 175.35 175.41 2giq s SER 99 N -2.21 5.92 0.03 0.03 0.15 0.00 -4.63 113.70 112.99 2giq s SER 99 Ca 0.72 2.04 0.18 0.00 0.70 0.00 0.00 55.95 59.59 2giq s SER 99 Cb -0.27 -2.57 0.77 0.00 -1.71 0.00 0.00 66.02 62.24 2giq s SER 99 CO 0.48 -1.08 1.58 0.29 1.20 0.00 0.00 173.24 175.71 2giq n LYS 100 N -1.33 0.02 -0.88 5.44 5.02 -1.26 -3.72 118.16 121.46 2giq n LYS 100 Ca 0.10 0.22 -0.04 0.00 -2.02 0.00 0.00 58.31 56.57 2giq n LYS 100 Cb 0.52 -1.54 0.26 0.00 -0.02 0.00 0.00 35.03 34.25 2giq n LYS 100 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2giq n PHE 101 N -1.59 1.92 -0.67 2.13 3.72 -1.26 -4.93 117.46 116.78 2giq n PHE 101 Ca 0.04 -1.29 0.00 0.00 -0.05 0.00 0.00 57.45 56.15 2giq n PHE 101 Cb 0.21 -0.60 0.00 0.00 -0.94 0.00 0.00 39.48 38.16 2giq n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2giq n GLY 102 N -0.54 1.18 3.33 1.37 0.00 -1.24 -5.06 105.19 104.21 2giq n GLY 102 Ca 0.37 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2giq n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2giq s TYR 103 N -2.00 0.02 0.10 1.61 -0.85 -1.26 -5.00 117.35 109.97 2giq s TYR 103 Ca 0.00 -0.38 0.00 0.00 -0.52 0.00 0.00 57.07 56.17 2giq s TYR 103 Cb 0.00 0.14 -0.00 0.00 0.38 0.00 0.00 41.96 42.48 2giq s TYR 103 CO 0.00 -0.70 0.00 0.41 -1.52 0.00 0.00 175.55 173.74 2giq n GLY 104 N -0.20 4.07 0.24 5.49 0.00 -1.26 -0.82 105.19 112.71 2giq n GLY 104 Ca -0.13 -2.23 -0.06 0.00 0.00 0.00 0.00 46.02 43.60 2giq n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2giq h ALA 105 N 1.05 0.95 -0.10 4.61 0.00 -1.82 -1.87 119.26 122.09 2giq h ALA 105 Ca -0.08 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 2giq h ALA 105 Cb 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2giq h ALA 105 CO 0.14 0.61 -0.51 0.87 0.00 0.00 0.00 179.25 180.36 2giq h LYS 106 N 0.51 0.26 -0.51 0.00 1.57 -1.88 -0.07 116.57 116.45 2giq h LYS 106 Ca 0.06 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2giq h LYS 106 Cb 0.77 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 2giq h LYS 106 CO 0.06 0.71 0.34 -0.44 -0.57 0.00 0.00 179.45 179.55 2giq h ASP 107 N 0.21 0.58 0.22 0.86 3.32 -1.89 -0.82 116.42 118.91 2giq h ASP 107 Ca 0.01 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2giq h ASP 107 Cb 0.97 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.38 2giq h ASP 107 CO 0.08 0.42 -0.11 0.58 -1.72 0.00 0.00 179.24 178.50 2giq h VAL 108 N 0.69 0.79 -0.27 -1.35 2.07 -0.99 -0.88 116.25 116.31 2giq h VAL 108 Ca 0.19 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 2giq h VAL 108 Cb -0.08 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2giq h VAL 108 CO -0.04 0.01 0.16 0.03 0.02 0.00 0.00 177.57 177.75 2giq h ARG 109 N -0.31 0.36 -0.18 1.57 3.08 -0.89 -0.82 114.38 117.18 2giq h ARG 109 Ca -0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2giq h ARG 109 Cb 0.24 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2giq h ARG 109 CO 0.05 0.26 0.00 0.09 -1.07 0.00 0.00 179.97 179.30 2giq n ASN 110 N -4.48 1.63 -3.66 7.04 3.02 -0.32 -4.79 115.26 113.69 2giq n ASN 110 Ca 0.01 -1.73 -0.25 0.00 -0.03 0.00 0.00 54.58 52.58 2giq n ASN 110 Cb 0.08 -0.12 0.07 0.00 -0.61 0.00 0.00 39.78 39.20 2giq n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2giq n LEU 111 N 0.31 -3.25 -4.77 3.41 4.77 -0.31 -4.93 117.00 112.22 2giq n LEU 111 Ca 0.15 -0.59 -0.41 0.00 -0.03 0.00 0.00 56.01 55.14 2giq n LEU 111 Cb 0.32 -2.94 -0.00 0.00 -2.33 0.00 0.00 43.42 38.46 2giq n LEU 111 CO 0.12 0.61 1.08 -0.94 -1.33 0.00 0.00 177.39 176.94 2giq s SER 112 N -3.35 6.34 0.27 -1.43 1.04 -0.38 -4.81 113.70 111.38 2giq s SER 112 Ca 0.59 2.94 -0.01 0.00 0.48 0.00 0.00 55.95 59.95 2giq s SER 112 Cb -0.27 -2.66 0.54 0.00 0.10 0.00 0.00 66.02 63.73 2giq s SER 112 CO 0.75 -0.86 1.78 0.77 0.98 0.00 0.00 173.24 176.66 2giq h SER 113 N 2.93 0.63 -0.12 7.02 4.64 -1.91 -0.86 113.55 125.88 2giq h SER 113 Ca -0.50 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 60.89 2giq h SER 113 Cb 1.24 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2giq h SER 113 CO 0.64 0.29 0.04 0.50 -0.87 0.00 0.00 176.83 177.43 2giq h LYS 114 N 0.71 0.18 -0.04 4.77 3.64 -1.96 0.20 116.57 124.06 2giq h LYS 114 Ca 0.47 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.81 2giq h LYS 114 Cb 0.61 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2giq h LYS 114 CO -0.33 0.30 0.02 0.00 -2.27 0.00 0.00 179.45 177.17 2giq h ALA 115 N 0.87 0.05 -0.65 5.00 0.00 -1.79 -1.86 119.26 120.88 2giq h ALA 115 Ca 0.04 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2giq h ALA 115 Cb 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2giq h ALA 115 CO -0.00 -0.41 0.11 0.28 0.00 0.00 0.00 179.25 179.22 2giq h VAL 116 N -0.02 1.26 -0.83 0.00 2.07 -1.08 -0.34 116.25 117.31 2giq h VAL 116 Ca 0.01 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.52 2giq h VAL 116 Cb 0.08 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 2giq h VAL 116 CO -0.00 0.38 0.54 0.78 0.02 0.00 0.00 177.57 179.29 2giq h ASN 117 N 0.99 0.96 -0.38 0.57 2.35 -0.54 -1.35 115.58 118.18 2giq h ASN 117 Ca 0.20 -0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 2giq h ASN 117 Cb 0.43 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 2giq h ASN 117 CO 0.01 0.71 -0.17 -0.74 -1.65 0.00 0.00 177.43 175.59 2giq h HIS 118 N 1.13 0.90 -0.81 1.19 2.76 -0.81 -2.39 115.15 117.13 2giq h HIS 118 Ca 0.30 -0.22 0.02 0.00 -2.20 0.00 0.00 60.37 58.27 2giq h HIS 118 Cb -0.12 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 28.59 2giq h HIS 118 CO -0.01 0.96 0.53 0.82 -1.30 0.00 0.00 177.93 178.92 2giq h ILE 119 N 0.59 1.17 -0.88 6.26 2.04 -0.82 -0.12 117.51 125.74 2giq h ILE 119 Ca 0.09 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.60 2giq h ILE 119 Cb 0.71 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 2giq h ILE 119 CO 0.05 0.19 0.58 0.45 0.00 0.00 0.00 178.15 179.43 2giq h HIS 120 N 1.05 1.10 -0.21 1.37 3.86 -1.11 -0.84 115.15 120.38 2giq h HIS 120 Ca 0.31 0.03 -0.15 0.00 -1.16 0.00 0.00 60.37 59.39 2giq h HIS 120 Cb -0.06 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.02 2giq h HIS 120 CO -0.02 0.69 -0.49 0.66 0.86 0.00 0.00 177.93 179.62 2giq h SER 121 N 1.18 0.62 -0.46 2.45 4.64 -0.80 -2.18 113.55 119.00 2giq h SER 121 Ca 0.33 -0.31 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2giq h SER 121 Cb -0.12 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.78 2giq h SER 121 CO -0.08 1.01 0.24 0.58 -0.87 0.00 0.00 176.83 177.72 2giq h VAL 122 N 0.45 1.17 -0.09 0.95 2.07 -0.54 -1.99 116.25 118.27 2giq h VAL 122 Ca 0.02 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 67.11 2giq h VAL 122 Cb 1.02 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2giq h VAL 122 CO 0.09 0.18 -0.02 -0.25 0.02 0.00 0.00 177.57 177.60 2giq h TRP 123 N 0.60 -0.03 -0.90 1.57 2.91 -1.03 -1.38 115.95 117.68 2giq h TRP 123 Ca 0.16 0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.23 2giq h TRP 123 Cb 0.07 0.03 -0.06 0.00 -0.51 0.00 0.00 29.16 28.69 2giq h TRP 123 CO -0.02 -0.03 0.58 -0.22 -1.03 0.00 0.00 178.44 177.72 2giq h LYS 124 N 0.01 1.06 -0.79 2.65 3.64 -1.31 -1.56 116.57 120.26 2giq h LYS 124 Ca 0.04 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2giq h LYS 124 Cb 0.06 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.61 2giq h LYS 124 CO -0.09 0.70 0.36 0.22 -2.27 0.00 0.00 179.45 178.37 2giq h ASP 125 N 1.09 1.05 -0.76 4.20 3.58 -0.96 -1.32 116.42 123.30 2giq h ASP 125 Ca 0.37 -0.14 -0.04 0.00 0.42 0.00 0.00 57.03 57.64 2giq h ASP 125 Cb 0.08 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.82 2giq h ASP 125 CO -0.14 0.90 0.31 -0.07 -2.88 0.00 0.00 179.24 177.36 2giq h LEU 126 N 1.13 1.05 -0.76 2.28 3.38 -0.32 -0.55 115.31 121.53 2giq h LEU 126 Ca 0.27 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 2giq h LEU 126 Cb 0.15 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2giq h LEU 126 CO -0.03 0.93 -0.46 -0.07 0.09 0.00 0.00 178.44 178.90 2giq h LEU 127 N 1.12 0.41 0.00 1.67 3.38 -0.93 -3.31 115.31 117.65 2giq h LEU 127 Ca 0.26 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2giq h LEU 127 Cb 0.20 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2giq h LEU 127 CO -0.02 0.81 -1.37 -0.62 0.09 0.00 0.00 178.44 177.33 2giq n GLU 128 N -3.99 0.62 -3.90 1.13 -0.58 -0.53 -4.83 120.64 108.55 2giq n GLU 128 Ca -0.02 0.15 -0.27 0.00 -0.42 0.00 0.00 57.16 56.60 2giq n GLU 128 Cb 0.53 -1.78 -0.17 0.00 -0.57 0.00 0.00 31.44 29.45 2giq n GLU 128 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2giq s ASP 129 N -5.53 2.33 -0.13 1.62 -1.08 -0.23 -5.01 116.67 108.63 2giq s ASP 129 Ca -0.03 -0.38 0.18 0.00 -0.52 0.00 0.00 52.55 51.79 2giq s ASP 129 Cb 0.09 -0.86 0.32 0.00 -1.46 0.00 0.00 42.92 41.01 2giq s ASP 129 CO 0.81 -0.13 1.19 0.35 0.52 0.00 0.00 175.17 177.91 2giq n THR 130 N 4.93 1.91 0.00 1.71 -2.24 -1.26 -4.52 114.28 114.81 2giq n THR 130 Ca -0.12 -2.12 0.00 0.00 -2.27 0.00 0.00 64.05 59.53 2giq n THR 130 Cb 0.50 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 2giq n THR 130 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2giq n VAL 131 N -1.21 0.00 -2.48 2.28 0.24 -1.26 -4.60 118.33 111.31 2giq n VAL 131 Ca 0.16 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.03 2giq n VAL 131 Cb 0.66 -0.59 -0.02 0.00 -1.47 0.00 0.00 33.84 32.42 2giq n VAL 131 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2giq s THR 132 N -1.62 4.35 0.23 3.34 2.01 -1.26 -4.83 115.64 117.85 2giq s THR 132 Ca 0.00 1.61 -0.31 0.00 0.31 0.00 0.00 61.69 63.30 2giq s THR 132 Cb 0.00 -4.10 -0.14 0.00 0.01 0.00 0.00 72.50 68.27 2giq s THR 132 CO 0.00 -0.21 1.24 -2.65 -0.69 0.00 0.00 174.62 172.31 2giq n PRO 133 N 6.68 1.59 -3.22 4.92 -0.02 -1.26 -4.73 135.00 138.95 2giq n PRO 133 Ca 0.14 0.56 -0.39 0.00 -2.02 0.00 0.00 63.50 61.79 2giq n PRO 133 Cb 0.45 -2.11 -0.06 0.00 -0.02 0.00 0.00 33.50 31.77 2giq n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2giq s ILE 134 N -0.32 4.88 0.48 4.25 1.01 -0.10 -4.95 121.20 126.45 2giq s ILE 134 Ca 0.68 1.24 -0.22 0.00 0.00 0.00 0.00 60.65 62.35 2giq s ILE 134 Cb -0.73 -3.92 -0.07 0.00 0.01 0.00 0.00 42.46 37.74 2giq s ILE 134 CO 0.53 0.44 1.18 -0.62 0.00 0.00 0.00 174.94 176.47 2giq s ASP 135 N -0.35 6.01 0.09 3.58 2.15 -1.26 -4.30 116.67 122.59 2giq s ASP 135 Ca 0.31 2.34 0.04 0.00 0.43 0.00 0.00 52.55 55.67 2giq s ASP 135 Cb -0.18 -2.60 -0.03 0.00 -0.30 0.00 0.00 42.92 39.80 2giq s ASP 135 CO 0.17 -1.03 -0.11 0.42 -0.17 0.00 0.00 175.17 174.46 2giq s THR 136 N -1.54 0.98 -0.12 1.71 -4.23 -1.08 -4.34 115.64 107.01 2giq s THR 136 Ca 0.66 -1.56 -0.09 0.00 -1.18 0.00 0.00 61.69 59.51 2giq s THR 136 Cb -0.29 -1.28 -0.04 0.00 1.34 0.00 0.00 72.50 72.22 2giq s THR 136 CO 0.35 -0.48 0.19 -0.89 -0.54 0.00 0.00 174.62 173.25 2giq s THR 137 N -2.17 5.40 -0.15 3.99 2.01 0.13 -0.90 115.64 123.96 2giq s THR 137 Ca 0.04 0.33 -0.01 0.00 0.31 0.00 0.00 61.69 62.35 2giq s THR 137 Cb -0.05 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 2giq s THR 137 CO 0.01 0.56 -0.10 -0.51 -0.69 0.00 0.00 174.62 173.89 2giq s ILE 138 N -0.66 3.29 0.07 1.82 2.07 -0.56 -1.30 121.20 125.92 2giq s ILE 138 Ca 0.15 -0.57 0.02 0.00 -1.41 0.00 0.00 60.65 58.85 2giq s ILE 138 Cb -0.13 -2.41 -0.03 0.00 0.13 0.00 0.00 42.46 40.02 2giq s ILE 138 CO 0.04 0.50 -0.07 -0.04 -1.91 0.00 0.00 174.94 173.47 2giq s MET 139 N 0.50 0.67 -0.05 3.50 -1.94 -0.24 -4.45 119.30 117.29 2giq s MET 139 Ca -0.07 -1.04 -0.23 0.00 -1.71 0.00 0.00 55.69 52.64 2giq s MET 139 Cb -0.15 -0.25 -0.04 0.00 2.01 0.00 0.00 34.83 36.40 2giq s MET 139 CO 0.04 0.02 0.68 0.00 -0.01 0.00 0.00 175.02 175.75 2giq s ALA 140 N -2.46 3.36 0.35 3.03 0.00 -1.26 -0.80 121.76 123.97 2giq s ALA 140 Ca 0.00 0.12 -0.27 0.00 0.00 0.00 0.00 51.96 51.82 2giq s ALA 140 Cb -0.03 -2.92 -0.09 0.00 0.00 0.00 0.00 23.12 20.08 2giq s ALA 140 CO -0.02 -0.05 1.13 0.15 0.00 0.00 0.00 175.76 176.97 2giq s LYS 141 N 0.59 4.33 -0.50 0.00 1.02 0.77 -4.76 119.74 121.18 2giq s LYS 141 Ca 0.36 1.78 -0.12 0.00 0.02 0.00 0.00 55.97 58.01 2giq s LYS 141 Cb -0.18 -2.87 0.12 0.00 -0.52 0.00 0.00 37.83 34.38 2giq s LYS 141 CO 0.18 -0.06 0.41 -0.80 -0.92 0.00 0.00 175.35 174.15 2giq s ASN 142 N -1.09 5.92 0.06 2.83 0.02 -1.26 -4.39 114.94 117.03 2giq s ASN 142 Ca 0.52 -1.83 0.07 0.00 -1.02 0.00 0.00 52.86 50.59 2giq s ASN 142 Cb -0.30 -2.10 -0.03 0.00 0.02 0.00 0.00 41.25 38.85 2giq s ASN 142 CO 0.38 -0.76 -0.19 -1.61 0.02 0.00 0.00 177.10 174.94 2giq s GLU 143 N 1.47 1.19 -0.15 -0.60 2.02 -1.26 -4.89 118.70 116.48 2giq s GLU 143 Ca 0.04 -0.97 -0.09 0.00 0.02 0.00 0.00 54.97 53.98 2giq s GLU 143 Cb -0.28 -1.32 -0.05 0.00 0.10 0.00 0.00 34.13 32.59 2giq s GLU 143 CO 0.01 0.33 0.16 0.08 0.02 0.00 0.00 175.26 175.86 2giq s VAL 144 N -0.93 5.42 0.17 2.63 1.01 -1.26 -0.82 120.40 126.63 2giq s VAL 144 Ca 0.05 0.26 -0.00 0.00 0.00 0.00 0.00 61.98 62.30 2giq s VAL 144 Cb -0.09 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 2giq s VAL 144 CO 0.02 0.52 0.07 -0.36 0.00 0.00 0.00 175.10 175.35 2giq s PHE 145 N -0.29 1.11 -0.01 5.22 0.08 -0.07 -4.75 117.98 119.27 2giq s PHE 145 Ca 0.13 -1.21 -0.11 0.00 0.12 0.00 0.00 56.93 55.86 2giq s PHE 145 Cb -0.12 -0.61 -0.05 0.00 -0.57 0.00 0.00 43.02 41.67 2giq s PHE 145 CO 0.02 -0.45 0.33 0.00 -0.10 0.00 0.00 175.22 175.02 2giq n VAL 147 N 1.55 4.27 -3.20 0.00 0.24 0.42 -4.99 118.33 116.63 2giq n VAL 147 Ca -0.14 -0.45 -0.15 0.00 -2.04 0.00 0.00 64.34 61.57 2giq n VAL 147 Cb 0.53 -1.38 0.07 0.00 -1.47 0.00 0.00 33.84 31.59 2giq n VAL 147 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 2giq n GLN 148 N -2.01 -3.35 -3.98 7.34 -0.06 -1.26 -5.08 117.38 108.99 2giq n GLN 148 Ca 0.15 0.81 -0.36 0.00 -2.00 0.00 0.00 57.00 55.60 2giq n GLN 148 Cb 0.48 -5.59 -0.07 0.00 -4.06 0.00 0.00 30.24 21.01 2giq n GLN 148 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 2giq s ARG 154 N -4.60 3.46 0.29 3.69 0.52 -1.26 -5.24 118.95 115.82 2giq s ARG 154 Ca 0.30 -0.21 -0.29 0.00 -0.52 0.00 0.00 55.73 55.00 2giq s ARG 154 Cb -0.04 -3.13 -0.10 0.00 0.52 0.00 0.00 34.95 32.20 2giq s ARG 154 CO 0.69 0.68 1.13 0.15 0.02 0.00 0.00 175.30 177.96 2giq s LYS 155 N -0.75 4.60 0.77 3.54 1.02 -1.26 -5.04 119.74 122.62 2giq s LYS 155 Ca 0.13 1.86 -0.11 0.00 0.02 0.00 0.00 55.97 57.87 2giq s LYS 155 Cb -0.12 -3.17 0.05 0.00 -0.52 0.00 0.00 37.83 34.07 2giq s LYS 155 CO 0.03 0.16 1.09 -1.25 -0.92 0.00 0.00 175.35 174.46 2giq s PRO 156 N -1.49 2.30 0.43 -1.68 0.04 -1.26 -4.84 135.00 128.49 2giq s PRO 156 Ca 0.45 1.16 -0.26 0.00 0.04 0.00 0.00 61.00 62.39 2giq s PRO 156 Cb -0.33 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 2giq s PRO 156 CO 0.43 -1.61 1.42 0.00 0.04 0.00 0.00 177.00 177.27 2giq s ALA 157 N -2.90 3.31 0.53 8.56 0.00 -1.26 -4.96 121.76 125.03 2giq s ALA 157 Ca 0.61 1.44 -0.16 0.00 0.00 0.00 0.00 51.96 53.85 2giq s ALA 157 Cb -0.17 -3.57 -0.07 0.00 0.00 0.00 0.00 23.12 19.30 2giq s ALA 157 CO 0.56 -1.09 1.00 1.03 0.00 0.00 0.00 175.76 177.25 2giq s ARG 158 N -2.33 3.86 0.04 0.00 0.52 -1.26 -4.70 118.95 115.07 2giq s ARG 158 Ca 0.58 0.99 -0.00 0.00 -0.52 0.00 0.00 55.73 56.79 2giq s ARG 158 Cb -0.43 -2.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.88 2giq s ARG 158 CO 0.56 -0.35 0.17 -0.51 0.02 0.00 0.00 175.30 175.19 2giq s LEU 159 N -4.13 4.21 -0.06 2.53 1.02 -1.26 -0.17 118.68 120.83 2giq s LEU 159 Ca 0.60 0.23 0.05 0.00 0.02 0.00 0.00 54.13 55.02 2giq s LEU 159 Cb -0.11 -2.71 -0.00 0.00 0.02 0.00 0.00 46.19 43.39 2giq s LEU 159 CO 0.32 0.21 -0.20 -0.51 0.02 0.00 0.00 176.35 176.19 2giq s ILE 160 N -1.40 1.67 -0.12 -0.59 1.10 0.02 -4.86 121.20 117.01 2giq s ILE 160 Ca 0.31 -0.84 0.00 0.00 -0.51 0.00 0.00 60.65 59.61 2giq s ILE 160 Cb -0.13 -1.43 0.02 0.00 0.15 0.00 0.00 42.46 41.07 2giq s ILE 160 CO 0.23 0.47 -0.10 -0.69 -2.11 0.00 0.00 174.94 172.74 2giq s VAL 161 N 0.06 1.21 -0.05 4.00 1.01 -1.26 -1.08 120.40 124.30 2giq s VAL 161 Ca -0.06 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 2giq s VAL 161 Cb -0.13 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.09 2giq s VAL 161 CO 0.04 0.39 0.26 0.72 0.00 0.00 0.00 175.10 176.51 2giq s PHE 162 N 1.47 -0.19 0.92 5.22 -0.71 -0.42 -1.23 117.98 123.03 2giq s PHE 162 Ca 0.02 0.41 -0.13 0.00 -1.04 0.00 0.00 56.93 56.18 2giq s PHE 162 Cb -0.13 0.07 0.18 0.00 -1.21 0.00 0.00 43.02 41.93 2giq s PHE 162 CO -0.07 -0.26 1.26 -1.25 -1.34 0.00 0.00 175.22 173.56 2giq s PRO 163 N -0.67 0.87 0.68 1.99 0.04 -1.26 -0.69 135.00 135.96 2giq s PRO 163 Ca -0.08 -0.51 -0.16 0.00 0.04 0.00 0.00 61.00 60.30 2giq s PRO 163 Cb -0.04 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.58 2giq s PRO 163 CO 0.02 -2.22 1.18 0.34 0.04 0.00 0.00 177.00 176.36 2giq s ASP 164 N -4.85 4.64 0.26 6.66 2.15 -1.26 -4.74 116.67 119.52 2giq s ASP 164 Ca 0.72 2.27 -0.04 0.00 0.43 0.00 0.00 52.55 55.94 2giq s ASP 164 Cb -0.04 -2.58 0.52 0.00 -0.30 0.00 0.00 42.92 40.51 2giq s ASP 164 CO 0.51 -1.96 1.66 0.25 -0.17 0.00 0.00 175.17 175.47 2giq h LEU 165 N 0.04 -0.07 -0.66 -1.34 5.85 -1.82 -0.32 115.31 117.00 2giq h LEU 165 Ca -0.48 0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.51 2giq h LEU 165 Cb 1.28 0.25 -0.07 0.00 0.37 0.00 0.00 40.66 42.48 2giq h LEU 165 CO 0.52 -0.10 0.28 1.23 -0.34 0.00 0.00 178.44 180.03 2giq h GLY 166 N 0.22 0.95 1.05 3.75 0.00 -1.95 -1.50 103.07 105.59 2giq h GLY 166 Ca 0.45 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.55 2giq h GLY 166 CO -0.58 -0.00 0.11 -2.08 0.00 0.00 0.00 176.54 173.99 2giq h VAL 167 N 0.47 1.26 -0.79 4.60 2.07 -1.45 -2.66 116.25 119.76 2giq h VAL 167 Ca 0.33 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 2giq h VAL 167 Cb 0.41 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 2giq h VAL 167 CO -0.31 0.37 0.45 0.03 0.02 0.00 0.00 177.57 178.13 2giq h ARG 168 N 0.96 1.08 -0.59 1.57 3.08 -0.44 0.12 114.38 120.15 2giq h ARG 168 Ca 0.19 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 2giq h ARG 168 Cb 0.42 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2giq h ARG 168 CO 0.01 0.78 0.00 0.28 -1.07 0.00 0.00 179.97 179.97 2giq h VAL 169 N 1.09 1.27 -0.76 2.04 2.07 -1.15 -2.72 116.25 118.09 2giq h VAL 169 Ca 0.28 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 2giq h VAL 169 Cb -0.00 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2giq h VAL 169 CO -0.05 0.41 0.35 0.00 0.02 0.00 0.00 177.57 178.30 2giq h GLU 171 N 1.08 0.82 -0.17 0.00 5.08 -0.59 -1.93 114.58 118.87 2giq h GLU 171 Ca 0.26 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2giq h GLU 171 Cb 0.13 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2giq h GLU 171 CO -0.03 0.54 0.08 0.87 -1.00 0.00 0.00 179.01 179.47 2giq h LYS 172 N 0.85 0.25 -0.54 2.33 1.57 -1.13 0.67 116.57 120.57 2giq h LYS 172 Ca 0.35 -0.04 0.11 0.00 -1.87 0.00 0.00 60.65 59.20 2giq h LYS 172 Cb 0.20 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.37 2giq h LYS 172 CO -0.18 0.29 0.00 0.52 -0.57 0.00 0.00 179.45 179.51 2giq h MET 173 N 0.14 0.12 0.09 3.15 2.86 -0.98 -0.51 114.93 119.80 2giq h MET 173 Ca 0.06 -0.01 -0.28 0.00 -2.06 0.00 0.00 59.70 57.42 2giq h MET 173 Cb 0.13 -0.03 0.02 0.00 0.06 0.00 0.00 31.60 31.78 2giq h MET 173 CO -0.01 0.08 -1.17 0.00 1.06 0.00 0.00 176.91 176.87 2giq h ALA 174 N 1.48 0.11 0.00 6.32 0.00 -1.15 -1.77 119.26 124.26 2giq h ALA 174 Ca 0.27 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2giq h ALA 174 Cb 0.42 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2giq h ALA 174 CO -0.45 0.79 0.00 1.28 0.00 0.00 0.00 179.25 180.87 2giq n LEU 175 N -3.72 0.19 -0.03 0.00 4.77 0.21 -4.74 117.00 113.68 2giq n LEU 175 Ca -0.11 -0.42 -0.09 0.00 -0.03 0.00 0.00 56.01 55.37 2giq n LEU 175 Cb 0.96 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.02 2giq n LEU 175 CO 0.55 0.05 0.83 0.22 -1.33 0.00 0.00 177.39 177.71 2giq h TYR 176 N 0.00 -0.10 -0.72 -1.77 3.20 -1.17 0.13 116.97 116.54 2giq h TYR 176 Ca 0.00 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 2giq h TYR 176 Cb 0.05 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 2giq h TYR 176 CO 0.00 -0.08 0.32 0.22 -1.64 0.00 0.00 178.16 176.98 2giq h ASP 177 N -0.01 0.97 0.26 -2.11 3.58 -1.79 -1.88 116.42 115.45 2giq h ASP 177 Ca 0.09 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 2giq h ASP 177 Cb 0.14 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 2giq h ASP 177 CO -0.18 0.86 -0.18 0.58 -2.88 0.00 0.00 179.24 177.44 2giq h VAL 178 N 1.02 0.62 0.00 2.25 2.07 -1.70 -2.26 116.25 118.25 2giq h VAL 178 Ca 0.24 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.76 2giq h VAL 178 Cb 0.17 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2giq h VAL 178 CO -0.03 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.89 2giq n VAL 179 N -5.30 0.72 0.10 2.57 0.24 0.41 -0.80 118.33 116.27 2giq n VAL 179 Ca -0.09 0.05 0.04 0.00 -2.04 0.00 0.00 64.34 62.30 2giq n VAL 179 Cb 0.22 -0.93 -0.01 0.00 -1.47 0.00 0.00 33.84 31.65 2giq n VAL 179 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2giq h SER 180 N 0.00 0.00 0.00 -1.34 0.02 -1.18 -3.43 113.55 107.62 2giq h SER 180 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 2giq h SER 180 Cb 0.49 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2giq h SER 180 CO 0.00 0.39 -1.28 0.41 -1.14 0.00 0.00 176.83 175.21 2giq n THR 181 N -2.99 0.28 -0.19 -2.27 -1.04 -0.87 -4.67 114.28 102.53 2giq n THR 181 Ca -0.03 -0.11 -0.08 0.00 -2.04 0.00 0.00 64.05 61.79 2giq n THR 181 Cb 0.72 -0.69 0.02 0.00 -1.82 0.00 0.00 70.33 68.56 2giq n THR 181 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2giq h LEU 182 N 0.00 0.79 -0.34 -4.42 6.46 -1.18 -3.13 115.31 113.48 2giq h LEU 182 Ca -0.11 -0.20 0.05 0.00 -0.12 0.00 0.00 57.88 57.50 2giq h LEU 182 Cb 1.18 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.85 2giq h LEU 182 CO -0.02 0.78 0.06 -0.65 -0.62 0.00 0.00 178.44 177.99 2giq h PRO 183 N 0.75 0.17 -0.14 5.25 0.11 -1.82 -0.48 132.00 135.84 2giq h PRO 183 Ca 0.18 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.20 2giq h PRO 183 Cb 0.27 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 2giq h PRO 183 CO -0.01 0.11 -0.28 0.37 -0.21 0.00 0.00 178.00 177.99 2giq h GLN 184 N 0.17 0.26 -0.45 1.05 -0.00 -1.88 -0.48 115.11 113.79 2giq h GLN 184 Ca 0.16 -0.09 -0.08 0.00 -0.00 0.00 0.00 58.65 58.64 2giq h GLN 184 Cb 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.64 2giq h GLN 184 CO -0.22 0.52 -0.05 0.28 0.00 0.00 0.00 178.83 179.36 2giq h VAL 185 N 0.23 1.27 -0.00 2.39 2.07 -1.35 0.14 116.25 121.00 2giq h VAL 185 Ca 0.04 -1.13 -0.25 0.00 0.82 0.00 0.00 66.70 66.17 2giq h VAL 185 Cb 0.61 1.09 0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2giq h VAL 185 CO 0.04 0.39 -1.00 0.58 0.02 0.00 0.00 177.57 177.61 2giq h VAL 186 N 0.67 1.33 -0.00 2.57 2.07 -0.83 -3.37 116.25 118.68 2giq h VAL 186 Ca 0.12 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.33 2giq h VAL 186 Cb 0.57 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 2giq h VAL 186 CO 0.03 0.71 -0.34 0.23 0.02 0.00 0.00 177.57 178.22 2giq n MET 187 N -3.81 2.69 0.00 1.57 2.81 -0.21 -4.91 117.12 115.25 2giq n MET 187 Ca -0.09 -0.36 0.00 0.00 -1.81 0.00 0.00 57.70 55.43 2giq n MET 187 Cb 0.86 -1.06 0.00 0.00 -0.71 0.00 0.00 33.22 32.31 2giq n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2giq n GLY 188 N 1.07 3.14 0.14 3.03 0.00 0.50 -1.66 105.19 111.42 2giq n GLY 188 Ca 0.03 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.02 2giq n GLY 188 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2giq n SER 189 N 2.98 0.58 0.05 1.61 3.41 -1.26 -2.32 113.62 118.68 2giq n SER 189 Ca 0.00 0.71 0.13 0.00 -0.26 0.00 0.00 58.87 59.45 2giq n SER 189 Cb 0.00 -0.81 0.50 0.00 -0.26 0.00 0.00 64.21 63.64 2giq n SER 189 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2giq n SER 190 N -2.22 0.37 -4.60 4.04 7.64 -0.66 -4.72 113.62 113.47 2giq n SER 190 Ca 0.00 0.54 -0.43 0.00 1.01 0.00 0.00 58.87 60.00 2giq n SER 190 Cb 0.12 -0.64 -0.02 0.00 -1.01 0.00 0.00 64.21 62.66 2giq n SER 190 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2giq s TYR 191 N -3.07 2.83 0.33 1.43 5.04 -0.98 -0.59 117.35 122.34 2giq s TYR 191 Ca 0.11 0.76 0.11 0.00 -2.44 0.00 0.00 57.07 55.61 2giq s TYR 191 Cb 0.15 -4.36 0.56 0.00 0.35 0.00 0.00 41.96 38.66 2giq s TYR 191 CO 0.52 -1.25 1.74 0.78 -1.34 0.00 0.00 175.55 176.00 2giq h GLY 192 N 11.15 0.07 1.49 8.97 0.00 -1.13 -3.25 103.07 120.36 2giq h GLY 192 Ca -0.23 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2giq h GLY 192 CO 1.12 0.06 0.00 0.69 0.00 0.00 0.00 176.54 178.40 2giq n PHE 193 N -4.01 0.00 1.10 5.60 3.72 -1.26 -2.42 117.46 120.20 2giq n PHE 193 Ca -0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.52 2giq n PHE 193 Cb 0.48 -0.25 0.63 0.00 -0.94 0.00 0.00 39.48 39.40 2giq n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2giq n GLN 194 N -1.25 0.19 -4.51 -1.08 10.64 -1.23 -3.54 117.38 116.61 2giq n GLN 194 Ca 0.13 0.03 -0.34 0.00 -1.83 0.00 0.00 57.00 54.99 2giq n GLN 194 Cb 0.19 -1.50 -0.11 0.00 -0.86 0.00 0.00 30.24 27.96 2giq n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 2giq s TYR 195 N -2.79 3.02 0.94 2.61 2.02 -1.01 -4.69 117.35 117.44 2giq s TYR 195 Ca 0.19 0.02 -0.12 0.00 -0.37 0.00 0.00 57.07 56.79 2giq s TYR 195 Cb 0.18 -1.78 0.15 0.00 -0.40 0.00 0.00 41.96 40.11 2giq s TYR 195 CO 0.45 0.31 1.09 -1.54 -1.57 0.00 0.00 175.55 174.29 2giq s SER 196 N -0.61 3.07 0.27 2.29 1.04 -1.26 -4.78 113.70 113.72 2giq s SER 196 Ca 0.10 1.47 0.00 0.00 0.48 0.00 0.00 55.95 58.00 2giq s SER 196 Cb -0.12 -2.15 0.57 0.00 0.10 0.00 0.00 66.02 64.43 2giq s SER 196 CO 0.02 -2.89 1.76 -0.65 0.98 0.00 0.00 173.24 172.46 2giq h PRO 197 N -1.72 0.62 -0.49 4.02 0.11 -1.90 -0.12 132.00 132.52 2giq h PRO 197 Ca -0.51 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.45 2giq h PRO 197 Cb 1.30 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2giq h PRO 197 CO 0.54 0.41 -0.14 0.78 -0.21 0.00 0.00 178.00 179.38 2giq h GLY 198 N 0.64 1.02 1.61 -0.55 0.00 -1.93 -1.86 103.07 102.00 2giq h GLY 198 Ca 0.48 -0.83 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 2giq h GLY 198 CO -0.37 0.76 -0.19 1.46 0.00 0.00 0.00 176.54 178.20 2giq h GLN 199 N 0.83 0.47 -0.38 4.80 4.20 -1.79 -1.56 115.11 121.69 2giq h GLN 199 Ca 0.13 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 2giq h GLN 199 Cb 0.69 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 2giq h GLN 199 CO 0.05 0.64 -0.07 -0.09 -0.67 0.00 0.00 178.83 178.69 2giq h ARG 200 N 0.42 0.72 -0.34 1.46 2.43 -0.74 -1.64 114.38 116.69 2giq h ARG 200 Ca 0.07 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2giq h ARG 200 Cb 0.58 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2giq h ARG 200 CO 0.04 0.85 0.22 0.28 -1.51 0.00 0.00 179.97 179.86 2giq h VAL 201 N 0.52 1.09 -0.54 0.20 2.07 -1.19 -1.12 116.25 117.28 2giq h VAL 201 Ca 0.10 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.50 2giq h VAL 201 Cb 0.58 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 2giq h VAL 201 CO 0.03 0.09 0.24 -0.08 0.02 0.00 0.00 177.57 177.87 2giq h GLU 202 N 0.46 0.44 -0.35 1.57 4.81 -1.14 0.13 114.58 120.50 2giq h GLU 202 Ca 0.12 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 2giq h GLU 202 Cb -0.04 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2giq h GLU 202 CO -0.03 0.29 -0.03 0.35 -0.73 0.00 0.00 179.01 178.86 2giq h PHE 203 N 0.45 0.70 -0.12 0.92 3.57 -1.01 -1.04 116.94 120.42 2giq h PHE 203 Ca 0.25 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 2giq h PHE 203 Cb 0.23 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 2giq h PHE 203 CO -0.13 0.77 0.06 -0.07 -2.23 0.00 0.00 178.31 176.71 2giq h LEU 204 N 0.44 0.15 -0.18 0.59 3.38 -0.73 -0.56 115.31 118.39 2giq h LEU 204 Ca 0.09 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2giq h LEU 204 Cb 0.51 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2giq h LEU 204 CO 0.02 0.20 0.10 0.58 0.09 0.00 0.00 178.44 179.44 2giq h VAL 205 N 0.08 1.08 -0.70 1.22 2.07 -0.72 0.66 116.25 119.95 2giq h VAL 205 Ca 0.04 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 2giq h VAL 205 Cb 0.09 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2giq h VAL 205 CO -0.01 0.08 0.30 0.78 0.02 0.00 0.00 177.57 178.74 2giq h ASN 206 N 0.20 0.94 -0.23 0.57 2.35 -1.17 -0.73 115.58 117.52 2giq h ASN 206 Ca 0.06 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 2giq h ASN 206 Cb 0.04 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 2giq h ASN 206 CO -0.01 0.84 0.08 0.74 -1.65 0.00 0.00 177.43 177.43 2giq h THR 207 N 0.99 1.18 -0.36 2.81 2.02 -0.93 -1.14 112.91 117.47 2giq h THR 207 Ca 0.24 -0.55 0.07 0.00 0.77 0.00 0.00 66.41 66.93 2giq h THR 207 Cb 0.17 1.12 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 2giq h THR 207 CO -0.02 0.18 -0.02 -0.25 0.37 0.00 0.00 175.52 175.77 2giq h TRP 208 N 0.21 -0.06 0.00 3.16 2.91 -0.67 -1.88 115.95 119.61 2giq h TRP 208 Ca 0.07 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.09 2giq h TRP 208 Cb 0.20 0.08 -0.00 0.00 -0.51 0.00 0.00 29.16 28.93 2giq h TRP 208 CO -0.00 -0.09 -0.13 0.87 -1.03 0.00 0.00 178.44 178.05 2giq h LYS 209 N 0.07 0.00 0.00 2.65 1.57 -0.95 -2.93 116.57 116.98 2giq h LYS 209 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2giq h LYS 209 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2giq h LYS 209 CO -0.32 0.13 0.00 0.66 -0.57 0.00 0.00 179.45 179.36 2giq h SER 210 N 0.00 0.00 -3.28 0.86 4.64 -0.34 -3.44 113.55 111.99 2giq h SER 210 Ca -0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 2giq h SER 210 Cb 0.37 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.42 2giq h SER 210 CO 0.02 0.00 -0.09 -0.54 -0.87 0.00 0.00 176.83 175.34 2giq s LYS 211 N -3.41 3.99 0.03 4.77 -0.14 -1.11 -5.00 119.74 118.87 2giq s LYS 211 Ca 0.04 0.50 -0.23 0.00 -1.36 0.00 0.00 55.97 54.92 2giq s LYS 211 Cb 0.09 -3.00 -0.17 0.00 -1.68 0.00 0.00 37.83 33.08 2giq s LYS 211 CO 0.47 0.52 1.41 0.87 -0.76 0.00 0.00 175.35 177.86 2giq h LYS 212 N 3.79 0.11 -2.73 1.68 1.57 -1.88 -3.39 116.57 115.72 2giq h LYS 212 Ca -0.49 -0.04 -0.60 0.00 -1.87 0.00 0.00 60.65 57.65 2giq h LYS 212 Cb 1.20 -0.01 -0.40 0.00 0.08 0.00 0.00 32.23 33.11 2giq h LYS 212 CO 0.65 0.44 -0.81 -0.80 -0.57 0.00 0.00 179.45 178.36 2giq s ASN 213 N -5.68 2.98 0.38 0.86 0.01 -1.26 -5.08 114.94 107.15 2giq s ASN 213 Ca -0.15 -2.96 -0.26 0.00 -0.71 0.00 0.00 52.86 48.79 2giq s ASN 213 Cb 0.04 -0.84 -0.09 0.00 0.41 0.00 0.00 41.25 40.77 2giq s ASN 213 CO 0.69 -0.20 1.16 -2.16 -1.51 0.00 0.00 177.10 175.07 2giq s PRO 214 N 0.00 4.17 0.02 -0.60 0.04 -1.26 0.02 135.00 137.38 2giq s PRO 214 Ca 0.25 1.82 0.02 0.00 0.04 0.00 0.00 61.00 63.12 2giq s PRO 214 Cb -0.10 -2.76 -0.01 0.00 0.04 0.00 0.00 34.50 31.67 2giq s PRO 214 CO -0.10 -0.22 -0.06 1.41 0.04 0.00 0.00 177.00 178.07 2giq s MET 215 N -2.17 0.42 0.04 4.56 1.75 -0.23 -4.70 119.30 118.95 2giq s MET 215 Ca 0.55 -0.45 -0.01 0.00 -1.25 0.00 0.00 55.69 54.52 2giq s MET 215 Cb -0.30 -0.27 -0.03 0.00 2.84 0.00 0.00 34.83 37.07 2giq s MET 215 CO 0.39 0.06 -0.01 0.20 -0.65 0.00 0.00 175.02 175.00 2giq s GLY 216 N -0.86 0.33 -0.04 2.11 0.00 -0.71 -0.25 107.32 107.90 2giq s GLY 216 Ca -0.05 -0.85 -0.23 0.00 0.00 0.00 0.00 44.72 43.60 2giq s GLY 216 CO -0.00 -0.94 0.50 -0.11 0.00 0.00 0.00 173.10 172.54 2giq s PHE 217 N -2.67 -0.43 0.02 1.90 -0.71 0.04 -0.73 117.98 115.40 2giq s PHE 217 Ca -0.05 0.74 -0.08 0.00 -1.04 0.00 0.00 56.93 56.51 2giq s PHE 217 Cb -0.01 0.25 -0.05 0.00 -1.21 0.00 0.00 43.02 42.00 2giq s PHE 217 CO -0.05 -0.49 0.30 -1.54 -1.34 0.00 0.00 175.22 172.10 2giq s SER 218 N -1.18 6.54 -0.18 1.98 1.04 -1.26 -0.94 113.70 119.69 2giq s SER 218 Ca -0.12 0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.94 2giq s SER 218 Cb -0.03 -2.12 0.01 0.00 0.10 0.00 0.00 66.02 63.99 2giq s SER 218 CO 0.07 0.24 -0.18 -0.47 0.98 0.00 0.00 173.24 173.88 2giq s TYR 219 N -1.31 2.79 -0.42 5.02 5.04 -0.78 -4.52 117.35 123.17 2giq s TYR 219 Ca 0.29 -1.48 -0.14 0.00 -2.44 0.00 0.00 57.07 53.30 2giq s TYR 219 Cb -0.13 -1.93 0.04 0.00 0.35 0.00 0.00 41.96 40.28 2giq s TYR 219 CO 0.16 -0.73 0.30 0.34 -1.34 0.00 0.00 175.55 174.29 2giq s ASP 220 N 1.23 6.01 0.10 4.32 2.15 -1.26 -4.03 116.67 125.19 2giq s ASP 220 Ca 0.03 -1.07 -0.30 0.00 0.43 0.00 0.00 52.55 51.64 2giq s ASP 220 Cb -0.14 -2.13 -0.06 0.00 -0.30 0.00 0.00 42.92 40.30 2giq s ASP 220 CO -0.10 -0.49 0.96 -0.89 -0.17 0.00 0.00 175.17 174.49 2giq s THR 221 N 1.63 4.53 -0.24 1.71 2.01 -1.26 -0.57 115.64 123.45 2giq s THR 221 Ca 0.04 2.07 -0.29 0.00 0.31 0.00 0.00 61.69 63.82 2giq s THR 221 Cb -0.21 -4.32 -0.01 0.00 0.01 0.00 0.00 72.50 67.97 2giq s THR 221 CO 0.08 0.30 1.33 -0.60 -0.69 0.00 0.00 174.62 175.04 2giq s ARG 222 N 0.08 4.02 -1.06 4.92 3.52 -0.09 -4.00 118.95 126.33 2giq s ARG 222 Ca 0.47 1.46 -0.18 0.00 -0.13 0.00 0.00 55.73 57.35 2giq s ARG 222 Cb -0.23 -3.86 0.00 0.00 -1.56 0.00 0.00 34.95 29.30 2giq s ARG 222 CO 0.30 -0.99 0.74 0.00 -0.81 0.00 0.00 175.30 174.54 2giq h PHE 224 N -1.55 0.29 -0.93 0.00 3.04 -1.96 -1.26 116.94 114.58 2giq h PHE 224 Ca -0.61 0.04 0.10 0.00 3.98 0.00 0.00 57.97 61.49 2giq h PHE 224 Cb 1.34 -0.02 -0.08 0.00 2.56 0.00 0.00 35.95 39.76 2giq h PHE 224 CO 0.31 -0.06 0.56 -0.44 -2.02 0.00 0.00 178.31 176.67 2giq h ASP 225 N 0.29 0.83 1.40 0.41 3.32 -1.92 -0.98 116.42 119.77 2giq h ASP 225 Ca 0.40 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.49 2giq h ASP 225 Cb 0.66 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2giq h ASP 225 CO -0.48 0.46 0.00 0.28 -1.72 0.00 0.00 179.24 177.78 2giq h SER 226 N 0.93 0.00 1.42 6.45 0.02 -1.53 -2.70 113.55 118.13 2giq h SER 226 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 2giq h SER 226 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2giq h SER 226 CO -0.25 0.00 -0.15 0.71 -1.14 0.00 0.00 176.83 176.01 2giq h THR 227 N 0.00 0.00 -2.97 -2.27 1.35 -0.99 -3.44 112.91 104.59 2giq h THR 227 Ca 0.00 -0.56 -0.55 0.00 -0.55 0.00 0.00 66.41 64.75 2giq h THR 227 Cb 0.70 1.47 -0.02 0.00 -1.73 0.00 0.00 68.15 68.57 2giq h THR 227 CO 0.00 0.00 0.80 -0.69 -0.25 0.00 0.00 175.52 175.38 2giq s VAL 228 N -3.13 4.03 0.47 6.82 1.01 -1.08 -4.80 120.40 123.71 2giq s VAL 228 Ca 0.09 1.36 0.08 0.00 0.00 0.00 0.00 61.98 63.51 2giq s VAL 228 Cb 0.11 -3.88 0.03 0.00 0.00 0.00 0.00 36.38 32.65 2giq s VAL 228 CO 0.64 -0.02 0.64 0.42 0.00 0.00 0.00 175.10 176.77 2giq s THR 229 N 2.55 2.79 0.17 3.92 -4.23 -1.26 -3.93 115.64 115.65 2giq s THR 229 Ca 0.59 -0.96 -0.14 0.00 -1.18 0.00 0.00 61.69 60.00 2giq s THR 229 Cb -0.27 -2.83 0.05 0.00 1.34 0.00 0.00 72.50 70.80 2giq s THR 229 CO 0.23 0.00 1.79 -0.08 -0.54 0.00 0.00 174.62 176.02 2giq h GLU 230 N 0.48 0.49 -0.59 3.99 4.81 -1.88 -1.70 114.58 120.18 2giq h GLU 230 Ca -0.38 -0.03 0.12 0.00 -0.13 0.00 0.00 59.36 58.94 2giq h GLU 230 Cb 1.28 -0.11 -0.11 0.00 0.63 0.00 0.00 28.75 30.44 2giq h GLU 230 CO 0.45 0.33 -0.20 -0.97 -0.73 0.00 0.00 179.01 177.88 2giq h ASN 231 N 0.51 -0.72 -0.71 1.04 -1.24 -1.98 0.28 115.58 112.76 2giq h ASN 231 Ca 0.20 0.19 0.01 0.00 0.71 0.00 0.00 56.30 57.41 2giq h ASN 231 Cb 0.07 0.43 -0.04 0.00 0.73 0.00 0.00 38.32 39.51 2giq h ASN 231 CO -0.11 -0.24 0.47 0.44 -1.29 0.00 0.00 177.43 176.70 2giq h ASP 232 N -0.06 0.82 0.25 1.15 3.32 -1.72 0.63 116.42 120.80 2giq h ASP 232 Ca 0.28 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.14 2giq h ASP 232 Cb 0.48 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2giq h ASP 232 CO -0.64 0.59 -0.63 0.40 -1.72 0.00 0.00 179.24 177.24 2giq h ILE 233 N 0.96 1.37 -0.46 0.35 2.04 -0.69 -1.04 117.51 120.04 2giq h ILE 233 Ca 0.26 -1.99 -0.12 0.00 1.00 0.00 0.00 64.86 64.00 2giq h ILE 233 Cb -0.11 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2giq h ILE 233 CO -0.06 0.60 -0.21 0.03 0.00 0.00 0.00 178.15 178.51 2giq h ARG 234 N 0.27 0.93 -0.67 2.37 3.08 -0.54 -2.21 114.38 117.61 2giq h ARG 234 Ca -0.01 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 59.64 2giq h ARG 234 Cb 1.17 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.15 2giq h ARG 234 CO 0.11 1.04 0.34 0.28 -1.07 0.00 0.00 179.97 180.67 2giq h VAL 235 N 0.80 1.22 -0.26 2.04 2.07 -0.62 -0.53 116.25 120.98 2giq h VAL 235 Ca 0.11 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 67.07 2giq h VAL 235 Cb 0.76 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2giq h VAL 235 CO 0.06 0.25 0.03 -0.33 0.02 0.00 0.00 177.57 177.60 2giq h GLU 236 N 0.93 0.11 -0.60 1.57 5.08 -1.10 -1.64 114.58 118.92 2giq h GLU 236 Ca 0.23 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.62 2giq h GLU 236 Cb 0.09 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2giq h GLU 236 CO -0.03 0.07 0.35 1.49 -1.00 0.00 0.00 179.01 179.89 2giq h GLU 237 N 0.11 0.66 -0.57 2.33 4.81 -1.04 -0.47 114.58 120.41 2giq h GLU 237 Ca 0.12 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.38 2giq h GLU 237 Cb 0.14 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2giq h GLU 237 CO -0.18 0.43 0.38 0.66 -0.73 0.00 0.00 179.01 179.58 2giq h SER 238 N 0.68 0.42 -0.10 1.04 4.64 -0.48 0.20 113.55 119.95 2giq h SER 238 Ca 0.25 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.53 2giq h SER 238 Cb 0.08 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2giq h SER 238 CO -0.13 0.27 -0.12 0.40 -0.87 0.00 0.00 176.83 176.38 2giq h ILE 239 N 0.48 1.37 -0.80 0.95 2.04 -0.31 -3.03 117.51 118.21 2giq h ILE 239 Ca 0.25 -1.31 0.09 0.00 1.00 0.00 0.00 64.86 64.89 2giq h ILE 239 Cb 0.38 2.01 -0.05 0.00 -0.74 0.00 0.00 36.82 38.41 2giq h ILE 239 CO -0.07 0.37 0.52 1.88 0.00 0.00 0.00 178.15 180.85 2giq h TYR 240 N -0.16 0.82 0.00 1.37 0.05 -0.26 -1.86 116.97 116.93 2giq h TYR 240 Ca 0.01 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.82 2giq h TYR 240 Cb 0.65 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 38.13 2giq h TYR 240 CO 0.09 0.40 0.00 1.04 -1.05 0.00 0.00 178.16 178.64 2giq n GLN 241 N -4.50 0.03 0.25 4.88 1.13 -0.02 -2.23 117.38 116.90 2giq n GLN 241 Ca 0.13 0.11 0.12 0.00 -1.94 0.00 0.00 57.00 55.42 2giq n GLN 241 Cb 0.29 -1.50 0.62 0.00 0.11 0.00 0.00 30.24 29.77 2giq n GLN 241 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2giq s ASP 244 N -2.44 6.60 0.11 0.00 -1.08 0.59 -4.99 116.67 115.47 2giq s ASP 244 Ca 0.70 0.40 0.06 0.00 -0.52 0.00 0.00 52.55 53.19 2giq s ASP 244 Cb -0.25 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.63 2giq s ASP 244 CO 0.48 -1.29 -0.15 -0.76 0.52 0.00 0.00 175.17 173.97 2giq s LEU 245 N 4.54 2.37 0.54 -1.34 1.43 -1.26 -1.59 118.68 123.37 2giq s LEU 245 Ca 0.47 -0.77 -0.21 0.00 -1.03 0.00 0.00 54.13 52.60 2giq s LEU 245 Cb -0.07 -0.61 -0.05 0.00 0.03 0.00 0.00 46.19 45.49 2giq s LEU 245 CO 0.31 -0.10 1.24 0.00 0.23 0.00 0.00 176.35 178.03 2giq s ALA 246 N -1.85 2.75 0.25 4.21 0.00 -1.26 -4.85 121.76 121.00 2giq s ALA 246 Ca 0.07 1.09 -0.03 0.00 0.00 0.00 0.00 51.96 53.09 2giq s ALA 246 Cb -0.07 -3.47 0.49 0.00 0.00 0.00 0.00 23.12 20.07 2giq s ALA 246 CO 0.03 -1.08 1.74 -1.35 0.00 0.00 0.00 175.76 175.10 2giq h PRO 247 N 1.40 0.48 -0.59 0.00 0.11 -2.00 -0.99 132.00 130.41 2giq h PRO 247 Ca -0.50 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 2giq h PRO 247 Cb 1.28 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2giq h PRO 247 CO 0.57 0.32 0.22 0.93 -0.21 0.00 0.00 178.00 179.83 2giq h GLU 248 N 0.50 0.87 -0.50 1.05 5.08 -2.00 -2.34 114.58 117.24 2giq h GLU 248 Ca 0.43 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 2giq h GLU 248 Cb 0.64 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2giq h GLU 248 CO -0.39 0.72 0.18 0.00 -1.00 0.00 0.00 179.01 178.52 2giq h ALA 249 N 1.39 0.65 -0.40 3.43 0.00 -1.58 -0.11 119.26 122.64 2giq h ALA 249 Ca 0.20 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2giq h ALA 249 Cb 0.20 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2giq h ALA 249 CO -0.02 0.28 0.18 0.00 0.00 0.00 0.00 179.25 179.69 2giq h ARG 250 N 0.67 0.36 -0.21 0.00 3.08 -1.02 -0.74 114.38 116.52 2giq h ARG 250 Ca 0.16 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 2giq h ARG 250 Cb 0.23 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2giq h ARG 250 CO -0.01 0.24 0.05 0.37 -1.07 0.00 0.00 179.97 179.55 2giq h GLN 251 N 0.37 0.33 -0.85 0.04 5.75 -1.23 -1.57 115.11 117.96 2giq h GLN 251 Ca 0.17 -0.08 0.05 0.00 -0.15 0.00 0.00 58.65 58.65 2giq h GLN 251 Cb 0.11 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.55 2giq h GLN 251 CO -0.14 0.45 0.53 0.00 -2.65 0.00 0.00 178.83 177.03 2giq h ALA 252 N 0.86 1.16 -0.49 3.38 0.00 -0.76 0.62 119.26 124.04 2giq h ALA 252 Ca 0.07 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2giq h ALA 252 Cb 0.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2giq h ALA 252 CO 0.00 0.30 -0.17 0.82 0.00 0.00 0.00 179.25 180.21 2giq h ILE 253 N 0.99 1.27 -0.08 0.00 2.04 -1.03 0.26 117.51 120.97 2giq h ILE 253 Ca 0.36 -1.32 -0.00 0.00 1.00 0.00 0.00 64.86 64.90 2giq h ILE 253 Cb 0.12 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 2giq h ILE 253 CO -0.16 0.46 0.03 0.50 0.00 0.00 0.00 178.15 178.99 2giq h LYS 254 N 0.83 0.11 -0.26 2.37 3.64 -0.94 -1.19 116.57 121.14 2giq h LYS 254 Ca 0.12 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2giq h LYS 254 Cb 0.74 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 2giq h LYS 254 CO 0.06 0.21 0.16 1.03 -2.27 0.00 0.00 179.45 178.63 2giq h SER 255 N -0.01 0.26 -0.67 4.20 0.87 -0.65 -1.70 113.55 115.85 2giq h SER 255 Ca 0.03 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2giq h SER 255 Cb 0.14 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 2giq h SER 255 CO -0.00 0.19 0.39 -0.07 -0.53 0.00 0.00 176.83 176.81 2giq h LEU 256 N 0.32 0.82 0.02 2.23 3.38 -0.44 0.04 115.31 121.68 2giq h LEU 256 Ca 0.10 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2giq h LEU 256 Cb -0.01 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2giq h LEU 256 CO -0.04 0.65 -0.01 0.74 0.09 0.00 0.00 178.44 179.87 2giq h THR 257 N 0.94 1.14 -0.46 0.22 2.02 -0.90 0.24 112.91 116.11 2giq h THR 257 Ca 0.24 -0.49 -0.09 0.00 0.77 0.00 0.00 66.41 66.85 2giq h THR 257 Cb -0.01 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 2giq h THR 257 CO -0.04 0.12 -0.06 -0.33 0.37 0.00 0.00 175.52 175.58 2giq h GLU 258 N -0.24 0.79 0.00 6.66 4.39 -1.02 -1.49 114.58 123.67 2giq h GLU 258 Ca -0.00 -0.24 -0.19 0.00 0.34 0.00 0.00 59.36 59.27 2giq h GLU 258 Cb 0.23 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 2giq h GLU 258 CO 0.00 0.84 -2.12 0.54 -1.16 0.00 0.00 179.01 177.11 2giq n ARG 259 N -4.18 0.67 0.06 2.33 1.74 -0.03 -4.70 116.66 112.55 2giq n ARG 259 Ca 0.02 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 2giq n ARG 259 Cb 0.34 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 2giq n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2giq n LEU 260 N -2.55 0.67 -0.26 0.55 7.94 -0.19 -0.92 117.00 122.24 2giq n LEU 260 Ca -0.18 0.18 -0.07 0.00 -1.11 0.00 0.00 56.01 54.83 2giq n LEU 260 Cb 0.87 -0.13 0.05 0.00 0.53 0.00 0.00 43.42 44.74 2giq n LEU 260 CO 0.44 -0.65 0.97 1.88 -1.11 0.00 0.00 177.39 178.92 2giq h TYR 261 N 0.00 1.21 -0.10 1.96 0.05 -0.95 -2.75 116.97 116.39 2giq h TYR 261 Ca 0.00 -0.13 -0.09 0.00 0.05 0.00 0.00 58.73 58.56 2giq h TYR 261 Cb 0.14 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.52 2giq h TYR 261 CO 0.00 0.96 -0.34 0.82 -1.05 0.00 0.00 178.16 178.56 2giq h ILE 262 N 1.10 1.27 0.00 -2.88 2.04 -1.52 -3.42 117.51 114.11 2giq h ILE 262 Ca 0.23 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.78 2giq h ILE 262 Cb 0.35 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2giq h ILE 262 CO -0.00 0.39 0.00 0.61 0.00 0.00 0.00 178.15 179.15 2giq n GLY 263 N -0.38 -0.16 0.00 5.37 0.00 -1.04 -3.97 105.19 105.01 2giq n GLY 263 Ca -0.01 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.83 2giq n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2giq n GLY 264 N -0.74 1.17 3.78 -0.02 0.00 -0.78 -4.16 105.19 104.44 2giq n GLY 264 Ca 0.00 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 2giq n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2giq s PRO 265 N -2.00 3.60 -0.16 1.61 0.04 -1.26 -1.51 135.00 135.31 2giq s PRO 265 Ca 0.00 1.52 -0.03 0.00 0.04 0.00 0.00 61.00 62.53 2giq s PRO 265 Cb 0.00 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 2giq s PRO 265 CO 0.00 -0.63 -0.05 -0.51 0.04 0.00 0.00 177.00 175.85 2giq s LEU 266 N -3.57 3.08 -0.09 -3.56 1.43 -0.22 -2.62 118.68 113.13 2giq s LEU 266 Ca 0.69 -0.22 0.04 0.00 -1.03 0.00 0.00 54.13 53.62 2giq s LEU 266 Cb -0.21 -1.74 -0.00 0.00 0.03 0.00 0.00 46.19 44.26 2giq s LEU 266 CO 0.25 0.13 -0.23 -0.89 0.23 0.00 0.00 176.35 175.84 2giq s THR 267 N 0.60 1.95 0.95 5.49 2.01 -0.08 -0.11 115.64 126.45 2giq s THR 267 Ca -0.04 -0.97 -0.16 0.00 0.31 0.00 0.00 61.69 60.84 2giq s THR 267 Cb -0.15 -1.69 0.19 0.00 0.01 0.00 0.00 72.50 70.87 2giq s THR 267 CO 0.03 0.54 1.31 0.54 -0.69 0.00 0.00 174.62 176.34 2giq s ASN 268 N 0.27 3.20 0.16 3.53 2.20 -0.26 -1.50 114.94 122.53 2giq s ASN 268 Ca -0.15 0.32 0.19 0.00 -0.94 0.00 0.00 52.86 52.27 2giq s ASN 268 Cb -0.17 -0.40 0.80 0.00 -2.00 0.00 0.00 41.25 39.48 2giq s ASN 268 CO 0.07 -2.68 1.57 -1.54 -2.94 0.00 0.00 177.10 171.58 2giq n SER 269 N -3.74 0.38 -0.72 3.54 3.41 -1.26 -1.31 113.62 113.92 2giq n SER 269 Ca 0.15 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.48 2giq n SER 269 Cb 0.60 -0.68 0.34 0.00 -0.26 0.00 0.00 64.21 64.20 2giq n SER 269 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2giq n LYS 270 N -1.93 1.97 -0.75 4.33 5.02 -1.26 -4.95 118.16 120.58 2giq n LYS 270 Ca 0.02 -1.44 0.00 0.00 -2.02 0.00 0.00 58.31 54.87 2giq n LYS 270 Cb 0.18 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 2giq n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2giq n GLY 271 N 1.26 0.65 3.82 0.72 0.00 -0.42 -5.05 105.19 106.16 2giq n GLY 271 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2giq n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2giq s GLN 272 N -0.25 4.23 -0.13 1.61 -0.21 -1.26 -4.81 119.66 118.84 2giq s GLN 272 Ca 0.00 0.88 -0.29 0.00 0.02 0.00 0.00 55.36 55.97 2giq s GLN 272 Cb 0.00 -2.74 -0.03 0.00 1.00 0.00 0.00 33.01 31.24 2giq s GLN 272 CO 0.00 0.31 1.49 1.21 -2.12 0.00 0.00 175.29 176.18 2giq s ASN 273 N -1.81 6.74 0.03 5.90 3.04 -1.26 -1.10 114.94 126.47 2giq s ASN 273 Ca 0.47 1.92 0.18 0.00 0.04 0.00 0.00 52.86 55.47 2giq s ASN 273 Cb -0.15 -2.54 -0.17 0.00 -1.54 0.00 0.00 41.25 36.86 2giq s ASN 273 CO 0.20 -0.91 0.69 0.00 -3.04 0.00 0.00 177.10 174.04 2giq n GLY 275 N 1.40 -0.17 2.96 0.00 0.00 -1.21 -0.91 105.19 107.25 2giq n GLY 275 Ca -0.11 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 2giq n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2giq s TYR 276 N -4.00 -0.11 -0.11 1.61 5.04 -0.16 -1.05 117.35 118.57 2giq s TYR 276 Ca 0.00 0.29 -0.03 0.00 -2.44 0.00 0.00 57.07 54.89 2giq s TYR 276 Cb 0.00 0.01 -0.03 0.00 0.35 0.00 0.00 41.96 42.28 2giq s TYR 276 CO 0.00 -0.07 0.03 0.50 -1.34 0.00 0.00 175.55 174.67 2giq s ARG 277 N 0.26 3.21 -0.20 4.97 3.52 -0.57 -1.53 118.95 128.60 2giq s ARG 277 Ca -0.02 -0.37 0.18 0.00 -0.13 0.00 0.00 55.73 55.40 2giq s ARG 277 Cb -0.03 -2.91 0.47 0.00 -1.56 0.00 0.00 34.95 30.92 2giq s ARG 277 CO -0.01 0.63 1.16 0.54 -0.81 0.00 0.00 175.30 176.81 2giq n ARG 278 N 2.37 1.74 -2.49 5.12 1.74 -0.27 -1.86 116.66 123.00 2giq n ARG 278 Ca -0.18 -3.28 -0.05 0.00 -0.77 0.00 0.00 57.85 53.56 2giq n ARG 278 Cb 0.54 -1.39 -0.01 0.00 -1.02 0.00 0.00 32.46 30.58 2giq n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2giq s ARG 280 N -2.32 4.15 -0.01 0.00 6.06 -1.04 -4.62 118.95 121.17 2giq s ARG 280 Ca 0.11 2.54 -0.30 0.00 -2.50 0.00 0.00 55.73 55.58 2giq s ARG 280 Cb -0.00 -3.07 -0.03 0.00 0.06 0.00 0.00 34.95 31.91 2giq s ARG 280 CO 0.08 -0.66 0.99 0.00 -2.50 0.00 0.00 175.30 173.21 2giq s ALA 281 N 0.66 3.19 -0.73 6.12 0.00 -1.26 -4.78 121.76 124.97 2giq s ALA 281 Ca 0.69 0.54 0.25 0.00 0.00 0.00 0.00 51.96 53.44 2giq s ALA 281 Cb -0.48 -3.35 0.91 0.00 0.00 0.00 0.00 23.12 20.20 2giq s ALA 281 CO 0.38 -0.28 1.76 -1.13 0.00 0.00 0.00 175.76 176.50 2giq n SER 282 N 4.01 0.59 -2.43 0.00 3.41 -1.25 -4.04 113.62 113.90 2giq n SER 282 Ca 0.06 0.58 -0.23 0.00 -0.26 0.00 0.00 58.87 59.03 2giq n SER 282 Cb 0.51 -0.73 0.01 0.00 -0.26 0.00 0.00 64.21 63.73 2giq n SER 282 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2giq n GLY 283 N 0.89 5.32 3.46 5.00 0.00 -0.37 -4.28 105.19 115.21 2giq n GLY 283 Ca 0.05 -2.49 -0.22 0.00 0.00 0.00 0.00 46.02 43.36 2giq n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2giq s VAL 284 N -4.97 1.80 0.29 1.61 -7.23 -1.13 -4.42 120.40 106.34 2giq s VAL 284 Ca 0.45 -2.15 -0.02 0.00 -1.81 0.00 0.00 61.98 58.45 2giq s VAL 284 Cb 0.41 -2.49 0.23 0.00 0.56 0.00 0.00 36.38 35.08 2giq s VAL 284 CO -0.11 -0.28 1.92 0.25 -0.31 0.00 0.00 175.10 176.58 2giq h LEU 285 N 2.22 0.93 -0.27 1.32 5.85 -1.80 -2.25 115.31 121.30 2giq h LEU 285 Ca -0.40 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2giq h LEU 285 Cb 1.24 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2giq h LEU 285 CO 0.68 0.73 0.00 0.35 -0.34 0.00 0.00 178.44 179.86 2giq n THR 286 N -4.37 0.04 -0.03 1.05 -2.24 -1.26 -4.22 114.28 103.25 2giq n THR 286 Ca 0.08 -0.08 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 2giq n THR 286 Cb 0.08 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.13 2giq n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2giq h THR 287 N 0.57 0.86 0.28 4.28 2.02 -1.66 0.26 112.91 119.52 2giq h THR 287 Ca 0.00 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 2giq h THR 287 Cb 0.12 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 2giq h THR 287 CO 0.00 0.01 -0.13 -1.28 0.37 0.00 0.00 175.52 174.48 2giq h SER 288 N 0.04 -0.32 -0.07 4.18 0.87 -1.73 -1.24 113.55 115.28 2giq h SER 288 Ca 0.08 -0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.47 2giq h SER 288 Cb 0.11 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 2giq h SER 288 CO -0.15 0.03 0.02 0.00 -0.53 0.00 0.00 176.83 176.20 2giq h GLY 290 N 0.05 0.10 0.98 0.00 0.00 -1.01 0.65 103.07 103.85 2giq h GLY 290 Ca 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2giq h GLY 290 CO -0.04 -0.07 0.28 3.43 0.00 0.00 0.00 176.54 180.14 2giq h ASN 291 N -0.02 0.66 -0.24 0.19 2.35 -0.96 -0.78 115.58 116.80 2giq h ASN 291 Ca 0.08 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2giq h ASN 291 Cb 0.14 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 2giq h ASN 291 CO -0.17 0.57 0.14 0.74 -1.65 0.00 0.00 177.43 177.06 2giq h THR 292 N 0.70 1.04 -0.45 2.81 2.02 -0.68 0.68 112.91 119.03 2giq h THR 292 Ca 0.18 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.22 2giq h THR 292 Cb 0.07 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 2giq h THR 292 CO -0.03 0.05 0.14 -0.07 0.37 0.00 0.00 175.52 175.99 2giq h LEU 293 N 0.30 0.65 -0.39 2.58 3.38 -0.71 0.05 115.31 121.17 2giq h LEU 293 Ca 0.09 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 2giq h LEU 293 Cb -0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2giq h LEU 293 CO -0.03 0.68 -0.27 0.74 0.09 0.00 0.00 178.44 179.65 2giq h THR 294 N 0.59 1.28 -0.26 0.22 2.02 -1.02 -0.44 112.91 115.29 2giq h THR 294 Ca 0.15 -1.43 -0.02 0.00 0.77 0.00 0.00 66.41 65.88 2giq h THR 294 Cb 0.26 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2giq h THR 294 CO -0.00 0.48 0.10 0.00 0.37 0.00 0.00 175.52 176.46 2giq h TYR 296 N 0.27 0.53 0.33 0.00 5.03 -0.87 -0.20 116.97 122.05 2giq h TYR 296 Ca 0.09 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.40 2giq h TYR 296 Cb 0.20 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 38.32 2giq h TYR 296 CO -0.00 0.26 -0.16 1.25 -1.32 0.00 0.00 178.16 178.19 2giq h LEU 297 N 0.55 -0.37 -0.42 2.82 5.85 -0.87 -0.04 115.31 122.83 2giq h LEU 297 Ca 0.24 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2giq h LEU 297 Cb 0.14 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2giq h LEU 297 CO -0.16 -0.17 0.24 0.11 -0.34 0.00 0.00 178.44 178.12 2giq h LYS 298 N -0.56 0.58 -0.44 1.25 1.57 -1.23 -1.97 116.57 115.78 2giq h LYS 298 Ca -0.04 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 2giq h LYS 298 Cb 0.41 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2giq h LYS 298 CO 0.07 0.45 0.01 0.00 -0.57 0.00 0.00 179.45 179.42 2giq h ALA 299 N 1.10 0.59 -0.51 3.86 0.00 -0.99 0.18 119.26 123.48 2giq h ALA 299 Ca 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2giq h ALA 299 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2giq h ALA 299 CO -0.03 0.36 0.30 0.77 0.00 0.00 0.00 179.25 180.65 2giq h SER 300 N 0.61 0.63 -0.74 0.00 0.02 -0.93 -0.40 113.55 112.74 2giq h SER 300 Ca 0.13 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 2giq h SER 300 Cb 0.47 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 2giq h SER 300 CO 0.02 0.52 0.30 0.00 -1.14 0.00 0.00 176.83 176.53 2giq h ALA 301 N 1.14 0.96 -0.27 3.77 0.00 -1.18 -2.77 119.26 120.90 2giq h ALA 301 Ca 0.18 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2giq h ALA 301 Cb 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2giq h ALA 301 CO -0.03 0.58 -0.28 0.00 0.00 0.00 0.00 179.25 179.52 2giq h ALA 302 N 1.15 1.02 -0.78 0.00 0.00 -0.55 -1.29 119.26 118.82 2giq h ALA 302 Ca 0.25 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.84 2giq h ALA 302 Cb 0.20 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2giq h ALA 302 CO -0.02 0.59 0.48 0.00 0.00 0.00 0.00 179.25 180.29 2giq h ARG 304 N 0.89 0.88 -0.51 0.00 3.08 -1.15 -1.28 114.38 116.29 2giq h ARG 304 Ca 0.33 -0.39 0.02 0.00 0.07 0.00 0.00 59.98 60.00 2giq h ARG 304 Cb 0.12 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 2giq h ARG 304 CO -0.15 1.04 0.32 0.00 -1.07 0.00 0.00 179.97 180.11 2giq h ALA 305 N 0.82 0.65 0.00 0.04 0.00 -0.95 -2.45 119.26 117.37 2giq h ALA 305 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2giq h ALA 305 Cb 0.78 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2giq h ALA 305 CO 0.06 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.36 2giq n ALA 306 N -2.26 2.42 -3.30 0.00 0.00 0.16 -4.91 120.51 112.62 2giq n ALA 306 Ca 0.03 -0.14 -0.24 0.00 0.00 0.00 0.00 53.44 53.09 2giq n ALA 306 Cb 0.05 -1.46 0.02 0.00 0.00 0.00 0.00 19.45 18.07 2giq n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2giq n LYS 307 N -1.25 -4.63 -1.93 0.00 5.02 -0.55 -4.91 118.16 109.91 2giq n LYS 307 Ca 0.14 0.70 -0.41 0.00 -2.02 0.00 0.00 58.31 56.72 2giq n LYS 307 Cb 0.21 -5.52 -0.01 0.00 -0.02 0.00 0.00 35.03 29.68 2giq n LYS 307 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2giq s LEU 308 N -6.73 4.37 -0.22 -0.35 1.02 -0.78 -4.97 118.68 111.00 2giq s LEU 308 Ca 0.41 2.86 -0.14 0.00 0.02 0.00 0.00 54.13 57.27 2giq s LEU 308 Cb -0.20 -3.65 -0.04 0.00 0.02 0.00 0.00 46.19 42.32 2giq s LEU 308 CO 0.50 -0.75 0.31 -1.10 0.02 0.00 0.00 176.35 175.34 2giq s GLN 309 N -1.45 4.11 -1.18 1.70 -1.52 -1.26 -4.45 119.66 115.60 2giq s GLN 309 Ca 0.54 0.02 -0.02 0.00 -1.95 0.00 0.00 55.36 53.95 2giq s GLN 309 Cb -0.44 -3.56 -0.02 0.00 -0.22 0.00 0.00 33.01 28.78 2giq s GLN 309 CO 0.54 -0.04 0.92 -3.47 -0.25 0.00 0.00 175.29 172.99 2giq n ASP 310 N 4.54 -3.08 -4.74 5.90 2.03 -1.26 -0.55 116.55 119.38 2giq n ASP 310 Ca -0.11 -0.70 -0.41 0.00 0.52 0.00 0.00 54.79 54.10 2giq n ASP 310 Cb 0.51 -4.87 -0.03 0.00 -0.72 0.00 0.00 41.12 36.01 2giq n ASP 310 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2giq s THR 312 N -0.13 1.59 0.11 0.00 2.01 0.19 -5.00 115.64 114.42 2giq s THR 312 Ca 0.54 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.88 2giq s THR 312 Cb -0.35 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 2giq s THR 312 CO 0.39 0.46 0.11 -0.04 -0.69 0.00 0.00 174.62 174.85 2giq s MET 313 N 0.99 2.92 -0.12 4.92 -1.94 -1.26 -1.31 119.30 123.50 2giq s MET 313 Ca -0.06 -0.75 -0.01 0.00 -1.71 0.00 0.00 55.69 53.16 2giq s MET 313 Cb -0.15 -2.71 0.04 0.00 2.01 0.00 0.00 34.83 34.02 2giq s MET 313 CO -0.02 0.53 -0.01 -1.17 -0.01 0.00 0.00 175.02 174.34 2giq s LEU 314 N -2.69 0.99 -0.11 -0.03 2.96 0.08 -4.24 118.68 115.64 2giq s LEU 314 Ca 0.30 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 2giq s LEU 314 Cb -0.11 -0.62 0.01 0.00 0.50 0.00 0.00 46.19 45.97 2giq s LEU 314 CO 0.23 -0.20 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.22 2giq s VAL 315 N 1.85 1.46 -0.30 1.68 1.01 0.24 -1.29 120.40 125.05 2giq s VAL 315 Ca 0.03 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 2giq s VAL 315 Cb -0.14 -1.34 0.09 0.00 0.00 0.00 0.00 36.38 34.99 2giq s VAL 315 CO -0.07 0.43 0.07 0.20 0.00 0.00 0.00 175.10 175.74 2giq s ASN 316 N 0.99 4.05 1.74 3.32 -0.87 -0.35 -0.58 114.94 123.23 2giq s ASN 316 Ca -0.07 -1.62 0.00 0.00 -1.57 0.00 0.00 52.86 49.61 2giq s ASN 316 Cb -0.15 -0.99 0.00 0.00 -0.02 0.00 0.00 41.25 40.09 2giq s ASN 316 CO -0.01 -0.39 0.00 0.61 -2.57 0.00 0.00 177.10 174.74 2giq n GLY 317 N 4.76 3.54 0.01 0.66 0.00 -1.26 -0.59 105.19 112.30 2giq n GLY 317 Ca -0.02 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.08 2giq n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2giq n ASP 318 N 4.82 0.03 -4.63 1.61 5.75 -1.26 -3.82 116.55 119.04 2giq n ASP 318 Ca 0.00 -1.13 -0.40 0.00 -0.01 0.00 0.00 54.79 53.25 2giq n ASP 318 Cb 0.00 -0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 2giq n ASP 318 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2giq s ASP 319 N -1.88 6.45 -0.08 -1.12 -1.08 0.24 -4.62 116.67 114.60 2giq s ASP 319 Ca 0.42 0.54 0.02 0.00 -0.52 0.00 0.00 52.55 53.01 2giq s ASP 319 Cb 0.19 -2.28 0.01 0.00 -1.46 0.00 0.00 42.92 39.39 2giq s ASP 319 CO 0.32 -0.25 -0.12 -0.22 0.52 0.00 0.00 175.17 175.42 2giq s LEU 320 N 2.13 1.62 -0.00 -1.34 2.96 -1.26 -1.21 118.68 121.58 2giq s LEU 320 Ca 0.21 -0.32 0.08 0.00 -0.22 0.00 0.00 54.13 53.88 2giq s LEU 320 Cb -0.16 -0.87 -0.02 0.00 0.50 0.00 0.00 46.19 45.64 2giq s LEU 320 CO 0.09 0.02 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.21 2giq s VAL 321 N 0.81 1.89 -0.06 1.68 1.01 -0.41 -1.86 120.40 123.45 2giq s VAL 321 Ca -0.12 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 60.81 2giq s VAL 321 Cb -0.15 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.65 2giq s VAL 321 CO 0.02 0.48 -0.15 -0.69 0.00 0.00 0.00 175.10 174.76 2giq s VAL 322 N -0.61 1.30 -0.11 2.92 1.01 -0.12 -0.74 120.40 124.05 2giq s VAL 322 Ca 0.09 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.50 2giq s VAL 322 Cb -0.09 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.14 2giq s VAL 322 CO -0.00 0.39 -0.22 -0.63 0.00 0.00 0.00 175.10 174.63 2giq s ILE 323 N 0.34 2.19 0.30 2.22 1.01 -0.43 -0.78 121.20 126.05 2giq s ILE 323 Ca -0.10 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.60 2giq s ILE 323 Cb -0.14 -1.85 -0.00 0.00 0.01 0.00 0.00 42.46 40.48 2giq s ILE 323 CO 0.03 0.55 0.36 0.00 0.00 0.00 0.00 174.94 175.88 2giq s GLU 325 N -2.87 4.51 0.65 0.00 0.41 0.28 -1.07 118.70 120.62 2giq s GLU 325 Ca 0.29 1.43 -0.16 0.00 -0.41 0.00 0.00 54.97 56.12 2giq s GLU 325 Cb 0.00 -3.48 -0.00 0.00 -1.78 0.00 0.00 34.13 28.87 2giq s GLU 325 CO 0.20 -0.14 1.13 0.45 -0.49 0.00 0.00 175.26 176.41 2giq s SER 326 N 1.04 5.07 -0.13 -0.19 0.15 0.10 -4.42 113.70 115.33 2giq s SER 326 Ca 0.51 2.08 0.18 0.00 0.70 0.00 0.00 55.95 59.43 2giq s SER 326 Cb -0.21 -2.56 0.29 0.00 -1.71 0.00 0.00 66.02 61.83 2giq s SER 326 CO 0.25 -1.66 1.15 0.00 1.20 0.00 0.00 173.24 174.18 2giq n ALA 327 N -2.29 2.30 0.00 5.45 0.00 -1.26 -4.94 120.51 119.77 2giq n ALA 327 Ca 0.11 -2.61 0.00 0.00 0.00 0.00 0.00 53.44 50.94 2giq n ALA 327 Cb 0.52 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.58 2giq n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2giq n GLY 328 N -1.40 1.52 0.24 0.00 0.00 -1.26 -4.46 105.19 99.83 2giq n GLY 328 Ca 0.16 -1.64 -0.01 0.00 0.00 0.00 0.00 46.02 44.52 2giq n GLY 328 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2giq h THR 329 N 0.00 0.89 -0.19 2.61 1.35 -1.99 0.18 112.91 115.76 2giq h THR 329 Ca 0.00 -0.19 -0.14 0.00 -0.55 0.00 0.00 66.41 65.54 2giq h THR 329 Cb 0.00 0.30 -0.01 0.00 -1.73 0.00 0.00 68.15 66.71 2giq h THR 329 CO 0.00 0.10 -0.46 1.56 -0.25 0.00 0.00 175.52 176.47 2giq h GLN 330 N 0.55 0.49 -0.10 4.72 1.08 -2.00 -1.70 115.11 118.15 2giq h GLN 330 Ca 0.29 -0.27 -0.20 0.00 -1.45 0.00 0.00 58.65 57.02 2giq h GLN 330 Cb 0.25 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2giq h GLN 330 CO -0.22 0.85 -0.76 1.49 -0.95 0.00 0.00 178.83 179.24 2giq h GLU 331 N 0.40 0.55 -0.73 1.46 4.57 -1.64 -2.56 114.58 116.62 2giq h GLU 331 Ca 0.03 -0.45 0.04 0.00 -1.18 0.00 0.00 59.36 57.79 2giq h GLU 331 Cb 0.95 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.59 2giq h GLU 331 CO 0.08 1.08 0.46 -0.44 -1.18 0.00 0.00 179.01 179.01 2giq h ASP 332 N 0.37 0.74 -0.35 1.04 3.32 -0.80 0.13 116.42 120.86 2giq h ASP 332 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2giq h ASP 332 Cb 1.35 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 2giq h ASP 332 CO 0.14 0.51 0.23 0.00 -1.72 0.00 0.00 179.24 178.40 2giq h ALA 333 N 1.32 0.45 -0.35 3.45 0.00 -1.19 -1.31 119.26 121.63 2giq h ALA 333 Ca 0.30 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.19 2giq h ALA 333 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2giq h ALA 333 CO -0.12 -0.09 0.22 0.00 0.00 0.00 0.00 179.25 179.26 2giq h ALA 334 N 1.13 0.44 -0.30 0.00 0.00 -1.08 -2.40 119.26 117.05 2giq h ALA 334 Ca 0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2giq h ALA 334 Cb -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2giq h ALA 334 CO -0.03 -0.12 0.04 0.66 0.00 0.00 0.00 179.25 179.80 2giq h SER 335 N 0.45 0.40 0.33 0.00 4.64 -0.46 -2.27 113.55 116.64 2giq h SER 335 Ca 0.13 -0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 61.25 2giq h SER 335 Cb -0.03 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 2giq h SER 335 CO -0.04 0.44 -0.59 -0.07 -0.87 0.00 0.00 176.83 175.70 2giq h LEU 336 N 0.43 0.30 -0.76 5.97 3.38 -0.94 -0.74 115.31 122.95 2giq h LEU 336 Ca 0.10 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2giq h LEU 336 Cb 0.22 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2giq h LEU 336 CO 0.00 0.82 0.32 0.03 0.09 0.00 0.00 178.44 179.70 2giq h ARG 337 N 0.20 1.12 -0.28 1.13 3.08 -0.93 -0.47 114.38 118.24 2giq h ARG 337 Ca -0.00 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 59.79 2giq h ARG 337 Cb 1.09 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 2giq h ARG 337 CO 0.09 0.91 -0.06 0.28 -1.07 0.00 0.00 179.97 180.12 2giq h VAL 338 N 1.09 1.28 -0.37 2.04 2.07 -1.23 -0.84 116.25 120.28 2giq h VAL 338 Ca 0.26 -1.07 0.08 0.00 0.82 0.00 0.00 66.70 66.79 2giq h VAL 338 Cb 0.19 1.41 -0.08 0.00 -1.52 0.00 0.00 31.29 31.28 2giq h VAL 338 CO -0.02 0.34 -0.22 0.15 0.02 0.00 0.00 177.57 177.84 2giq h PHE 339 N 0.29 -0.56 -0.90 1.57 3.57 -1.02 -0.79 116.94 119.10 2giq h PHE 339 Ca 0.07 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2giq h PHE 339 Cb 0.53 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.53 2giq h PHE 339 CO 0.05 -0.30 0.53 1.15 -2.23 0.00 0.00 178.31 177.51 2giq h THR 340 N -0.16 1.25 -0.74 4.41 2.02 -0.92 -0.33 112.91 118.45 2giq h THR 340 Ca 0.18 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2giq h THR 340 Cb 0.44 -0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.82 2giq h THR 340 CO -0.47 0.27 0.47 -0.33 0.37 0.00 0.00 175.52 175.83 2giq h GLU 341 N 1.24 0.99 -0.04 6.66 5.08 -0.70 -0.05 114.58 127.75 2giq h GLU 341 Ca 0.32 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2giq h GLU 341 Cb -0.03 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.00 2giq h GLU 341 CO -0.06 0.67 0.01 0.00 -1.00 0.00 0.00 179.01 178.63 2giq h ALA 342 N 1.26 0.06 -0.92 3.43 0.00 -0.55 -1.48 119.26 121.06 2giq h ALA 342 Ca 0.27 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.11 2giq h ALA 342 Cb -0.08 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 2giq h ALA 342 CO -0.06 -0.31 0.60 0.52 0.00 0.00 0.00 179.25 180.00 2giq h MET 343 N -0.16 1.00 -0.36 0.00 2.86 -0.89 -1.30 114.93 116.08 2giq h MET 343 Ca 0.01 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 2giq h MET 343 Cb 0.26 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2giq h MET 343 CO 0.00 0.66 0.06 1.15 1.06 0.00 0.00 176.91 179.84 2giq h THR 344 N 1.03 1.24 -0.10 2.22 2.02 -0.75 0.60 112.91 119.17 2giq h THR 344 Ca 0.40 -0.83 0.02 0.00 0.77 0.00 0.00 66.41 66.77 2giq h THR 344 Cb 0.22 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 2giq h THR 344 CO -0.16 0.28 0.07 0.03 0.37 0.00 0.00 175.52 176.11 2giq h ARG 345 N 0.43 0.04 -0.11 6.66 3.08 -0.64 -1.03 114.38 122.81 2giq h ARG 345 Ca 0.11 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2giq h ARG 345 Cb 0.35 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2giq h ARG 345 CO 0.01 0.03 0.00 0.66 -1.07 0.00 0.00 179.97 179.59 2giq n TYR 346 N -4.52 0.15 -2.76 3.04 4.01 -0.55 -0.59 117.16 115.95 2giq n TYR 346 Ca -0.01 -0.07 -0.10 0.00 -0.16 0.00 0.00 57.90 57.56 2giq n TYR 346 Cb 0.15 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.23 2giq n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2giq n SER 347 N -0.14 -2.87 -3.04 7.72 2.88 -0.39 -4.91 113.62 112.87 2giq n SER 347 Ca 0.13 -0.39 -0.16 0.00 -1.33 0.00 0.00 58.87 57.12 2giq n SER 347 Cb 0.19 -3.27 -0.00 0.00 -0.75 0.00 0.00 64.21 60.38 2giq n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2giq n ALA 348 N -2.76 1.12 -1.55 -1.46 0.00 0.13 -4.60 120.51 111.38 2giq n ALA 348 Ca -0.13 -2.76 -0.34 0.00 0.00 0.00 0.00 53.44 50.21 2giq n ALA 348 Cb 0.59 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 19.09 2giq n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2giq s PRO 349 N -1.28 2.85 0.36 0.00 0.04 -1.26 -4.06 135.00 131.65 2giq s PRO 349 Ca 0.34 1.48 -0.22 0.00 0.04 0.00 0.00 61.00 62.64 2giq s PRO 349 Cb 0.29 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.78 2giq s PRO 349 CO -0.09 -1.23 0.90 -1.25 0.04 0.00 0.00 177.00 175.36 2giq s PRO 350 N -3.91 4.32 0.00 0.56 0.04 -1.26 -0.92 135.00 133.83 2giq s PRO 350 Ca 0.69 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2giq s PRO 350 Cb -0.22 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.84 2giq s PRO 350 CO 0.39 0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.98 2giq n GLY 351 N -0.08 1.74 3.69 0.56 0.00 0.27 -4.40 105.19 106.97 2giq n GLY 351 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2giq n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2giq s ASP 352 N -1.00 6.77 0.46 1.61 1.01 -1.26 -4.96 116.67 119.30 2giq s ASP 352 Ca 0.00 2.26 -0.25 0.00 0.71 0.00 0.00 52.55 55.27 2giq s ASP 352 Cb 0.00 -2.57 -0.08 0.00 1.01 0.00 0.00 42.92 41.28 2giq s ASP 352 CO 0.00 -0.76 1.42 -2.65 0.21 0.00 0.00 175.17 173.39 2giq n PRO 353 N 5.17 2.18 -2.35 8.23 -0.02 -1.26 -4.43 135.00 142.53 2giq n PRO 353 Ca 0.14 0.78 -0.37 0.00 -2.02 0.00 0.00 63.50 62.02 2giq n PRO 353 Cb 0.42 -2.62 -0.02 0.00 -0.02 0.00 0.00 33.50 31.27 2giq n PRO 353 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2giq s PRO 354 N -2.49 3.95 -0.04 0.52 0.04 -1.26 -5.01 135.00 130.71 2giq s PRO 354 Ca 0.62 1.72 0.04 0.00 0.04 0.00 0.00 61.00 63.42 2giq s PRO 354 Cb -0.45 -2.52 -0.00 0.00 0.04 0.00 0.00 34.50 31.57 2giq s PRO 354 CO 0.57 -0.38 -0.16 -0.65 0.04 0.00 0.00 177.00 176.42 2giq s GLN 355 N -2.53 1.64 0.25 4.56 -0.21 -1.26 -4.97 119.66 117.13 2giq s GLN 355 Ca 0.60 -0.56 -0.30 0.00 0.02 0.00 0.00 55.36 55.13 2giq s GLN 355 Cb -0.27 -1.44 -0.09 0.00 1.00 0.00 0.00 33.01 32.21 2giq s GLN 355 CO 0.34 0.23 1.21 -1.25 -2.12 0.00 0.00 175.29 173.69 2giq s PRO 356 N 0.05 4.49 0.04 2.91 0.04 -1.26 -4.57 135.00 136.70 2giq s PRO 356 Ca -0.03 1.96 0.08 0.00 0.04 0.00 0.00 61.00 63.05 2giq s PRO 356 Cb -0.11 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 2giq s PRO 356 CO 0.02 -0.04 -0.24 -1.21 0.04 0.00 0.00 177.00 175.56 2giq s GLU 357 N -0.93 1.66 -0.09 4.56 0.41 0.09 -4.97 118.70 119.43 2giq s GLU 357 Ca 0.50 -1.03 0.12 0.00 -0.41 0.00 0.00 54.97 54.15 2giq s GLU 357 Cb -0.35 -1.80 0.19 0.00 -1.78 0.00 0.00 34.13 30.39 2giq s GLU 357 CO 0.42 0.47 1.09 0.66 -0.49 0.00 0.00 175.26 177.41 2giq n TYR 358 N 1.84 0.00 -3.71 1.61 4.01 -1.26 -1.74 117.16 117.91 2giq n TYR 358 Ca -0.17 -0.82 -0.22 0.00 -0.16 0.00 0.00 57.90 56.53 2giq n TYR 358 Cb 0.52 -0.12 -0.18 0.00 -0.31 0.00 0.00 39.34 39.26 2giq n TYR 358 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2giq s ASP 359 N -2.23 1.51 0.40 7.72 -1.08 -1.26 -5.02 116.67 116.72 2giq s ASP 359 Ca 0.21 -0.08 0.06 0.00 -0.52 0.00 0.00 52.55 52.22 2giq s ASP 359 Cb 0.18 -0.30 0.83 0.00 -1.46 0.00 0.00 42.92 42.17 2giq s ASP 359 CO 0.02 -0.24 2.05 0.25 0.52 0.00 0.00 175.17 177.78 2giq h LEU 360 N 8.38 0.51 -0.93 -1.34 5.85 -1.97 -1.92 115.31 123.89 2giq h LEU 360 Ca -0.16 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2giq h LEU 360 Cb 1.12 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2giq h LEU 360 CO 0.22 0.37 0.00 -0.33 -0.34 0.00 0.00 178.44 178.36 2giq h GLU 361 N 0.60 0.00 -0.01 1.25 5.08 -1.97 -2.64 114.58 116.89 2giq h GLU 361 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2giq h GLU 361 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2giq h GLU 361 CO -0.04 0.00 -0.26 1.28 -1.00 0.00 0.00 179.01 178.99 2giq n LEU 362 N -2.43 1.41 -4.67 1.33 4.77 -0.72 -4.56 117.00 112.13 2giq n LEU 362 Ca 0.02 -0.44 -0.41 0.00 -0.03 0.00 0.00 56.01 55.14 2giq n LEU 362 Cb 0.23 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 2giq n LEU 362 CO 0.21 0.26 0.55 -0.63 -1.33 0.00 0.00 177.39 176.45 2giq s ILE 363 N -2.40 4.92 -0.23 -0.08 1.01 -1.00 -5.04 121.20 118.38 2giq s ILE 363 Ca 0.25 1.55 -0.08 0.00 0.00 0.00 0.00 60.65 62.37 2giq s ILE 363 Cb 0.19 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 2giq s ILE 363 CO 0.50 0.06 0.07 -0.89 0.00 0.00 0.00 174.94 174.68 2giq s THR 364 N 1.98 4.51 -0.04 2.92 2.01 -1.26 -4.38 115.64 121.37 2giq s THR 364 Ca 0.37 -0.11 -0.12 0.00 0.31 0.00 0.00 61.69 62.13 2giq s THR 364 Cb -0.17 -3.09 0.02 0.00 0.01 0.00 0.00 72.50 69.28 2giq s THR 364 CO 0.13 0.37 0.27 -0.94 -0.69 0.00 0.00 174.62 173.76 2giq s SER 365 N 1.26 -0.19 -1.70 3.53 1.04 0.00 -4.72 113.70 112.92 2giq s SER 365 Ca 0.05 0.20 -0.16 0.00 0.48 0.00 0.00 55.95 56.52 2giq s SER 365 Cb -0.15 0.39 0.14 0.00 0.10 0.00 0.00 66.02 66.50 2giq s SER 365 CO 0.04 -0.32 0.62 0.00 0.98 0.00 0.00 173.24 174.56 2giq n SER 367 N -2.67 -5.55 -4.26 0.00 7.64 -1.26 -4.93 113.62 102.59 2giq n SER 367 Ca -0.00 0.22 -0.15 0.00 1.01 0.00 0.00 58.87 59.95 2giq n SER 367 Cb 0.53 -3.83 -0.10 0.00 -1.01 0.00 0.00 64.21 59.80 2giq n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2giq s SER 368 N -2.37 1.86 0.04 6.43 0.01 -0.09 -4.45 113.70 115.13 2giq s SER 368 Ca 0.00 -1.00 -0.01 0.00 1.31 0.00 0.00 55.95 56.25 2giq s SER 368 Cb 0.00 -0.02 -0.03 0.00 0.21 0.00 0.00 66.02 66.17 2giq s SER 368 CO 0.00 -0.31 -0.03 0.54 0.41 0.00 0.00 173.24 173.85 2giq s ASN 369 N -3.14 0.39 0.22 2.44 4.22 -0.01 -0.82 114.94 118.24 2giq s ASN 369 Ca 0.17 -0.81 -0.30 0.00 -2.14 0.00 0.00 52.86 49.78 2giq s ASN 369 Cb 0.02 0.16 -0.08 0.00 1.28 0.00 0.00 41.25 42.63 2giq s ASN 369 CO 0.01 -0.49 1.01 -0.69 -2.04 0.00 0.00 177.10 174.90 2giq s VAL 370 N -2.98 3.96 0.32 3.54 1.01 -1.26 -1.12 120.40 123.87 2giq s VAL 370 Ca -0.02 1.86 0.03 0.00 0.00 0.00 0.00 61.98 63.86 2giq s VAL 370 Cb 0.01 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 2giq s VAL 370 CO -0.07 0.40 0.32 -0.55 0.00 0.00 0.00 175.10 175.21 2giq s SER 371 N -0.75 1.29 -0.02 3.32 0.15 -0.53 -4.36 113.70 112.80 2giq s SER 371 Ca 0.44 -1.64 0.04 0.00 0.70 0.00 0.00 55.95 55.49 2giq s SER 371 Cb -0.28 0.57 -0.01 0.00 -1.71 0.00 0.00 66.02 64.60 2giq s SER 371 CO 0.34 -1.11 -0.13 0.54 1.20 0.00 0.00 173.24 174.08 2giq s VAL 372 N -3.41 1.07 0.00 4.45 0.11 -1.26 -1.52 120.40 119.85 2giq s VAL 372 Ca 0.37 -0.56 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 2giq s VAL 372 Cb 0.02 -0.91 0.00 0.00 -1.53 0.00 0.00 36.38 33.96 2giq s VAL 372 CO 0.24 0.31 0.00 0.00 -3.33 0.00 0.00 175.10 172.32 2giq n ALA 373 N 2.91 0.00 -2.47 1.54 0.00 -0.60 -3.00 120.51 118.88 2giq n ALA 373 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.03 2giq n ALA 373 Cb 0.55 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.84 2giq n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2giq s HIS 374 N -1.46 1.68 0.60 0.00 3.76 0.54 -1.29 115.29 119.12 2giq s HIS 374 Ca 0.00 -0.32 -0.07 0.00 -0.15 0.00 0.00 55.06 54.52 2giq s HIS 374 Cb 0.00 -1.07 0.13 0.00 1.11 0.00 0.00 32.58 32.75 2giq s HIS 374 CO 0.00 -0.02 0.82 -0.40 -0.85 0.00 0.00 174.74 174.29 2giq n ASP 375 N 2.54 0.41 0.01 1.40 5.68 -0.29 -0.74 116.55 125.55 2giq n ASP 375 Ca -0.15 -1.51 0.12 0.00 -0.50 0.00 0.00 54.79 52.75 2giq n ASP 375 Cb 0.54 -0.60 0.55 0.00 -1.14 0.00 0.00 41.12 40.47 2giq n ASP 375 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2giq h ALA 376 N -1.35 2.07 0.00 2.12 0.00 -1.91 -0.42 119.26 119.77 2giq h ALA 376 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2giq h ALA 376 Cb 0.82 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2giq h ALA 376 CO 0.22 -0.16 0.00 -1.13 0.00 0.00 0.00 179.25 178.18 2giq n SER 377 N -4.47 0.00 0.00 0.00 3.41 -1.26 -4.90 113.62 106.41 2giq n SER 377 Ca 0.07 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 2giq n SER 377 Cb 0.32 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 2giq n SER 377 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2giq n GLY 378 N 1.35 0.76 3.75 5.00 0.00 -0.17 -5.05 105.19 110.83 2giq n GLY 378 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2giq n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2giq s LYS 379 N -0.72 4.16 0.17 1.61 2.20 -1.26 -4.65 119.74 121.24 2giq s LYS 379 Ca 0.00 2.50 -0.31 0.00 -0.36 0.00 0.00 55.97 57.80 2giq s LYS 379 Cb 0.00 -3.05 -0.09 0.00 -1.51 0.00 0.00 37.83 33.18 2giq s LYS 379 CO 0.00 -0.58 1.45 1.03 -0.36 0.00 0.00 175.35 176.89 2giq s ARG 380 N -0.34 4.28 -0.00 4.03 0.52 -1.26 -1.14 118.95 125.03 2giq s ARG 380 Ca 0.63 2.21 0.00 0.00 -0.52 0.00 0.00 55.73 58.06 2giq s ARG 380 Cb -0.46 -3.18 0.00 0.00 0.52 0.00 0.00 34.95 31.83 2giq s ARG 380 CO 0.45 -0.47 -0.01 0.54 0.02 0.00 0.00 175.30 175.83 2giq s VAL 381 N 0.80 0.11 0.22 3.52 0.11 -0.41 -4.93 120.40 119.83 2giq s VAL 381 Ca 0.65 -0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 59.54 2giq s VAL 381 Cb -0.40 -0.12 -0.07 0.00 -1.53 0.00 0.00 36.38 34.26 2giq s VAL 381 CO 0.34 0.04 0.59 -0.31 -3.33 0.00 0.00 175.10 172.43 2giq s TYR 382 N 0.12 3.47 0.25 1.54 2.02 -1.26 -1.56 117.35 121.92 2giq s TYR 382 Ca -0.01 1.00 -0.17 0.00 -0.37 0.00 0.00 57.07 57.52 2giq s TYR 382 Cb -0.02 -2.35 0.01 0.00 -0.40 0.00 0.00 41.96 39.20 2giq s TYR 382 CO -0.00 0.28 0.58 1.52 -1.57 0.00 0.00 175.55 176.36 2giq s TYR 383 N -1.75 0.06 -0.17 2.71 1.13 -0.57 -4.98 117.35 113.78 2giq s TYR 383 Ca 0.46 -0.45 -0.07 0.00 -1.41 0.00 0.00 57.07 55.60 2giq s TYR 383 Cb -0.12 0.43 -0.04 0.00 -1.10 0.00 0.00 41.96 41.12 2giq s TYR 383 CO 0.20 -1.07 0.07 -1.17 -2.51 0.00 0.00 175.55 171.07 2giq s LEU 384 N -2.95 3.91 0.00 -3.49 2.96 -1.26 -1.46 118.68 116.39 2giq s LEU 384 Ca 0.15 0.15 0.06 0.00 -0.22 0.00 0.00 54.13 54.27 2giq s LEU 384 Cb -0.03 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 2giq s LEU 384 CO 0.06 0.22 0.22 1.07 -1.32 0.00 0.00 176.35 176.59 2giq n THR 385 N 3.24 0.00 -3.81 3.68 5.66 -0.27 -4.74 114.28 118.04 2giq n THR 385 Ca -0.17 -2.35 -0.08 0.00 -3.05 0.00 0.00 64.05 58.40 2giq n THR 385 Cb 0.53 1.03 -0.03 0.00 -1.55 0.00 0.00 70.33 70.30 2giq n THR 385 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2giq s ARG 386 N -3.41 1.63 0.12 1.09 1.70 -1.26 -0.83 118.95 117.99 2giq s ARG 386 Ca 0.30 -0.95 -0.31 0.00 -0.47 0.00 0.00 55.73 54.30 2giq s ARG 386 Cb 0.01 0.57 -0.10 0.00 -0.57 0.00 0.00 34.95 34.87 2giq s ARG 386 CO 0.22 -0.72 1.68 0.34 -1.08 0.00 0.00 175.30 175.73 2giq s ASP 387 N -2.91 6.53 0.00 -2.89 -1.08 -1.26 -4.89 116.67 110.17 2giq s ASP 387 Ca 0.11 2.62 0.15 0.00 -0.52 0.00 0.00 52.55 54.92 2giq s ASP 387 Cb -0.04 -2.57 0.80 0.00 -1.46 0.00 0.00 42.92 39.65 2giq s ASP 387 CO 0.03 -0.91 1.53 -0.81 0.52 0.00 0.00 175.17 175.54 2giq n PRO 388 N 5.06 1.18 0.26 4.34 -0.04 -1.26 -4.36 135.00 140.18 2giq n PRO 388 Ca 0.16 -0.27 -0.16 0.00 -0.04 0.00 0.00 63.50 63.18 2giq n PRO 388 Cb 0.39 -1.26 -0.08 0.00 -0.04 0.00 0.00 33.50 32.51 2giq n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2giq h THR 389 N 0.52 0.24 -0.16 0.52 2.02 -1.95 -0.60 112.91 113.50 2giq h THR 389 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2giq h THR 389 Cb 0.11 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 2giq h THR 389 CO 0.00 0.00 0.03 0.74 0.37 0.00 0.00 175.52 176.66 2giq h THR 390 N -0.81 1.21 -0.81 3.16 2.02 -1.97 -0.63 112.91 115.10 2giq h THR 390 Ca -0.04 -0.69 0.18 0.00 0.77 0.00 0.00 66.41 66.64 2giq h THR 390 Cb 0.71 1.37 -0.12 0.00 -1.74 0.00 0.00 68.15 68.37 2giq h THR 390 CO -0.03 0.21 0.26 -0.65 0.37 0.00 0.00 175.52 175.67 2giq h PRO 391 N 0.05 0.31 -0.23 6.66 0.11 -1.81 -0.91 132.00 136.18 2giq h PRO 391 Ca 0.05 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.99 2giq h PRO 391 Cb 0.29 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 2giq h PRO 391 CO 0.00 0.20 -0.46 -0.07 -0.21 0.00 0.00 178.00 177.46 2giq h LEU 392 N 0.32 0.65 -0.48 2.35 3.38 -0.71 0.08 115.31 120.89 2giq h LEU 392 Ca 0.47 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 2giq h LEU 392 Cb 0.85 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2giq h LEU 392 CO -0.53 1.01 0.16 0.00 0.09 0.00 0.00 178.44 179.17 2giq h ALA 393 N 1.01 0.63 -0.29 1.53 0.00 -0.69 -1.75 119.26 119.70 2giq h ALA 393 Ca 0.03 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 2giq h ALA 393 Cb 0.99 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2giq h ALA 393 CO 0.09 0.28 -0.42 0.00 0.00 0.00 0.00 179.25 179.21 2giq h ARG 394 N 0.65 0.72 -0.82 0.00 3.08 -1.06 -2.68 114.38 114.26 2giq h ARG 394 Ca 0.16 -0.38 0.03 0.00 0.07 0.00 0.00 59.98 59.85 2giq h ARG 394 Cb 0.26 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 2giq h ARG 394 CO -0.01 1.00 0.54 0.00 -1.07 0.00 0.00 179.97 180.44 2giq h ALA 395 N 0.94 1.48 -0.46 0.04 0.00 -0.85 -1.56 119.26 118.86 2giq h ALA 395 Ca 0.04 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2giq h ALA 395 Cb 0.96 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2giq h ALA 395 CO 0.09 0.45 -0.06 0.00 0.00 0.00 0.00 179.25 179.73 2giq h ALA 396 N 1.51 0.62 -0.33 0.00 0.00 -1.05 -0.67 119.26 119.34 2giq h ALA 396 Ca 0.32 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2giq h ALA 396 Cb -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2giq h ALA 396 CO -0.09 0.48 0.18 2.35 0.00 0.00 0.00 179.25 182.17 2giq h TRP 397 N 0.69 0.33 0.00 0.00 2.91 -1.18 -2.89 115.95 115.81 2giq h TRP 397 Ca 0.12 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.15 2giq h TRP 397 Cb 0.59 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 29.14 2giq h TRP 397 CO 0.04 0.18 0.00 0.93 -1.03 0.00 0.00 178.44 178.57 2giq h GLU 398 N 0.36 0.00 0.00 2.65 5.08 -1.05 -1.02 114.58 120.60 2giq h GLU 398 Ca 0.14 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 2giq h GLU 398 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2giq h GLU 398 CO -0.08 0.00 -0.34 1.15 -1.00 0.00 0.00 179.01 178.73 2giq h THR 399 N 0.00 1.24 0.00 1.13 2.02 -0.90 -3.33 112.91 113.06 2giq h THR 399 Ca 0.00 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.00 2giq h THR 399 Cb 0.51 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 2giq h THR 399 CO 0.00 0.34 -1.01 0.00 0.37 0.00 0.00 175.52 175.21 2giq n ALA 400 N -2.47 2.65 -3.66 6.16 0.00 -0.74 -4.87 120.51 117.59 2giq n ALA 400 Ca -0.02 -0.23 -0.14 0.00 0.00 0.00 0.00 53.44 53.05 2giq n ALA 400 Cb 0.38 -0.31 -0.15 0.00 0.00 0.00 0.00 19.45 19.37 2giq n ALA 400 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2giq s ARG 401 N -2.30 -0.01 0.12 0.00 1.81 -0.46 -4.93 118.95 113.17 2giq s ARG 401 Ca -0.01 0.20 -0.31 0.00 -1.72 0.00 0.00 55.73 53.89 2giq s ARG 401 Cb 0.06 -0.21 -0.08 0.00 -0.45 0.00 0.00 34.95 34.27 2giq s ARG 401 CO 0.37 -0.15 1.37 -1.01 -0.68 0.00 0.00 175.30 175.20 2giq s HIS 402 N 0.97 3.25 0.23 -0.53 3.76 -1.26 -4.25 115.29 117.46 2giq s HIS 402 Ca -0.08 1.00 0.11 0.00 -0.15 0.00 0.00 55.06 55.94 2giq s HIS 402 Cb -0.11 -3.66 -0.05 0.00 1.11 0.00 0.00 32.58 29.87 2giq s HIS 402 CO -0.03 -2.27 -0.20 0.95 -0.85 0.00 0.00 174.74 172.34 2giq s THR 403 N 0.97 2.23 0.38 1.30 -4.23 -1.26 -5.05 115.64 109.99 2giq s THR 403 Ca 0.63 -2.23 0.16 0.00 -1.18 0.00 0.00 61.69 59.07 2giq s THR 403 Cb -0.36 -2.15 0.15 0.00 1.34 0.00 0.00 72.50 71.47 2giq s THR 403 CO 0.31 -0.36 1.90 -0.65 -0.54 0.00 0.00 174.62 175.28 2giq h PRO 404 N 2.66 0.00 -4.81 3.99 0.11 -1.96 -3.41 132.00 128.59 2giq h PRO 404 Ca -0.41 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.10 2giq h PRO 404 Cb 1.23 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 32.00 2giq h PRO 404 CO 0.56 0.29 -0.84 0.08 -0.21 0.00 0.00 178.00 177.88 2giq s VAL 405 N -4.26 1.58 -0.84 3.15 1.01 -1.26 -4.67 120.40 115.11 2giq s VAL 405 Ca -0.03 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 2giq s VAL 405 Cb 0.14 -1.44 0.12 0.00 0.00 0.00 0.00 36.38 35.20 2giq s VAL 405 CO 0.70 0.46 1.05 0.20 0.00 0.00 0.00 175.10 177.50 2giq s ASN 406 N 0.98 6.49 0.42 3.32 0.01 -0.21 -4.90 114.94 121.04 2giq s ASN 406 Ca -0.06 -1.76 0.11 0.00 -0.71 0.00 0.00 52.86 50.43 2giq s ASN 406 Cb -0.15 -2.39 0.95 0.00 0.41 0.00 0.00 41.25 40.07 2giq s ASN 406 CO -0.02 -1.15 2.02 0.77 -1.51 0.00 0.00 177.10 177.21 2giq h SER 407 N 9.01 0.42 -0.14 -1.22 4.64 -1.93 -2.44 113.55 121.89 2giq h SER 407 Ca 0.02 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.27 2giq h SER 407 Cb 1.04 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 2giq h SER 407 CO 1.12 0.28 -0.12 4.11 -0.87 0.00 0.00 176.83 181.35 2giq h TRP 408 N 0.48 0.52 -0.11 4.77 5.08 -1.90 0.36 115.95 125.15 2giq h TRP 408 Ca 0.22 -0.08 -0.06 0.00 1.08 0.00 0.00 58.89 60.05 2giq h TRP 408 Cb 0.26 -0.14 -0.00 0.00 -3.00 0.00 0.00 29.16 26.28 2giq h TRP 408 CO -0.00 0.59 -0.16 1.25 -1.28 0.00 0.00 178.44 178.84 2giq h LEU 409 N 0.45 0.33 -0.60 0.11 5.85 -1.83 -0.39 115.31 119.23 2giq h LEU 409 Ca 0.09 -0.53 0.05 0.00 0.84 0.00 0.00 57.88 58.33 2giq h LEU 409 Cb 0.48 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 2giq h LEU 409 CO 0.03 0.79 0.31 1.23 -0.34 0.00 0.00 178.44 180.47 2giq h GLY 410 N -0.13 0.86 1.25 3.75 0.00 -1.33 -1.86 103.07 105.61 2giq h GLY 410 Ca 0.01 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 2giq h GLY 410 CO 0.04 0.13 -0.01 3.43 0.00 0.00 0.00 176.54 180.13 2giq h ASN 411 N 0.59 0.87 -0.59 0.19 2.35 -0.83 -0.64 115.58 117.54 2giq h ASN 411 Ca 0.27 -0.23 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 2giq h ASN 411 Cb 0.17 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 2giq h ASN 411 CO -0.18 0.94 0.01 0.40 -1.65 0.00 0.00 177.43 176.95 2giq h ILE 412 N 0.83 1.26 0.10 2.81 2.04 -0.83 0.66 117.51 124.39 2giq h ILE 412 Ca 0.15 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 2giq h ILE 412 Cb 0.51 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2giq h ILE 412 CO 0.03 0.41 -0.05 0.40 0.00 0.00 0.00 178.15 178.94 2giq h ILE 413 N 0.96 1.05 0.01 -0.67 2.04 -0.95 -1.15 117.51 118.80 2giq h ILE 413 Ca 0.17 -0.60 -0.20 0.00 1.00 0.00 0.00 64.86 65.23 2giq h ILE 413 Cb 0.54 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 2giq h ILE 413 CO 0.03 0.15 -0.97 0.24 0.00 0.00 0.00 178.15 177.60 2giq h MET 414 N -0.42 0.03 -0.32 2.37 2.86 -1.11 -3.28 114.93 115.07 2giq h MET 414 Ca -0.01 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.44 2giq h MET 414 Cb 0.34 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.94 2giq h MET 414 CO 0.02 0.97 -0.08 0.66 1.06 0.00 0.00 176.91 179.55 2giq n TYR 415 N -3.43 1.00 -0.34 -0.22 4.01 0.22 -4.81 117.16 113.58 2giq n TYR 415 Ca -0.01 -1.47 0.15 0.00 -0.16 0.00 0.00 57.90 56.42 2giq n TYR 415 Cb 0.90 -0.45 0.36 0.00 -0.31 0.00 0.00 39.34 39.84 2giq n TYR 415 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2giq h ALA 416 N 1.09 1.77 0.00 -0.72 0.00 -1.27 -1.13 119.26 119.00 2giq h ALA 416 Ca 0.17 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2giq h ALA 416 Cb 1.59 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2giq h ALA 416 CO 0.34 -0.16 0.00 -2.30 0.00 0.00 0.00 179.25 177.13 2giq n PRO 417 N -4.77 0.16 -2.16 0.00 -0.02 -1.26 -4.46 135.00 122.49 2giq n PRO 417 Ca 0.24 0.37 -0.33 0.00 -2.02 0.00 0.00 63.50 61.76 2giq n PRO 417 Cb 0.64 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 2giq n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2giq s THR 418 N -3.24 3.65 0.14 3.45 -4.23 -0.43 -4.90 115.64 110.09 2giq s THR 418 Ca 0.05 0.87 -0.18 0.00 -1.18 0.00 0.00 61.69 61.25 2giq s THR 418 Cb 0.10 -3.35 -0.01 0.00 1.34 0.00 0.00 72.50 70.57 2giq s THR 418 CO 0.38 -0.38 1.74 0.25 -0.54 0.00 0.00 174.62 176.07 2giq h LEU 419 N 0.76 0.02 -0.35 4.79 5.85 -1.89 -2.71 115.31 121.77 2giq h LEU 419 Ca -0.48 0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.11 2giq h LEU 419 Cb 1.23 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 2giq h LEU 419 CO 0.57 0.05 -0.50 4.11 -0.34 0.00 0.00 178.44 182.33 2giq h TRP 420 N 0.16 1.07 -0.43 1.25 5.08 -1.93 -0.75 115.95 120.41 2giq h TRP 420 Ca 0.12 -0.36 -0.10 0.00 1.08 0.00 0.00 58.89 59.63 2giq h TRP 420 Cb 0.12 -0.21 -0.02 0.00 -3.00 0.00 0.00 29.16 26.05 2giq h TRP 420 CO -0.16 1.18 -0.14 0.00 -1.28 0.00 0.00 178.44 178.05 2giq h ALA 421 N 0.75 0.95 -0.03 0.11 0.00 -1.80 -1.80 119.26 117.45 2giq h ALA 421 Ca 0.03 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 2giq h ALA 421 Cb 1.09 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2giq h ALA 421 CO 0.11 0.61 -0.25 0.00 0.00 0.00 0.00 179.25 179.72 2giq h ARG 422 N 0.71 0.22 0.05 0.00 3.08 -1.43 -1.19 114.38 115.81 2giq h ARG 422 Ca 0.11 -0.20 -0.24 0.00 0.07 0.00 0.00 59.98 59.73 2giq h ARG 422 Cb 0.63 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 2giq h ARG 422 CO 0.04 0.88 -1.11 0.52 -1.07 0.00 0.00 179.97 179.24 2giq h MET 423 N -0.38 0.11 0.00 0.04 2.86 -1.18 -3.35 114.93 113.03 2giq h MET 423 Ca -0.02 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 2giq h MET 423 Cb 0.95 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.68 2giq h MET 423 CO 0.05 1.08 -0.58 -0.89 1.06 0.00 0.00 176.91 177.63 2giq n ILE 424 N -3.42 1.11 0.02 -1.22 5.41 -0.69 -4.38 119.36 116.21 2giq n ILE 424 Ca -0.04 0.25 -0.12 0.00 1.00 0.00 0.00 62.75 63.84 2giq n ILE 424 Cb 0.97 -1.98 -0.06 0.00 -0.71 0.00 0.00 39.64 37.86 2giq n ILE 424 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2giq h LEU 425 N -0.58 0.05 0.02 1.39 3.38 -1.40 0.11 115.31 118.29 2giq h LEU 425 Ca 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2giq h LEU 425 Cb 0.58 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2giq h LEU 425 CO 0.00 0.05 -0.01 0.24 0.09 0.00 0.00 178.44 178.81 2giq h MET 426 N 0.04 -0.03 -0.11 1.13 2.86 -1.36 -1.18 114.93 116.27 2giq h MET 426 Ca 0.01 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 2giq h MET 426 Cb 0.01 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 2giq h MET 426 CO -0.00 0.03 -0.06 1.15 1.06 0.00 0.00 176.91 179.09 2giq h THR 427 N -0.08 0.81 0.02 2.22 2.02 -1.65 -1.01 112.91 115.25 2giq h THR 427 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2giq h THR 427 Cb 0.07 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2giq h THR 427 CO 0.00 0.00 -0.01 -0.74 0.37 0.00 0.00 175.52 175.14 2giq h HIS 428 N -0.05 -0.03 0.01 3.16 6.17 -0.84 -2.28 115.15 121.28 2giq h HIS 428 Ca 0.06 -0.00 -0.21 0.00 0.71 0.00 0.00 60.37 60.94 2giq h HIS 428 Cb 0.15 0.01 -0.01 0.00 2.52 0.00 0.00 27.41 30.08 2giq h HIS 428 CO -0.18 0.27 -0.92 0.74 0.71 0.00 0.00 177.93 178.55 2giq h PHE 429 N -0.33 0.35 -0.20 5.26 0.04 -1.14 -2.25 116.94 118.66 2giq h PHE 429 Ca -0.00 -0.20 -0.08 0.00 2.80 0.00 0.00 57.97 60.49 2giq h PHE 429 Cb 0.31 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 2giq h PHE 429 CO 0.03 1.03 -0.21 0.74 -0.60 0.00 0.00 178.31 179.30 2giq h PHE 430 N 0.12 0.39 -0.26 -0.55 -1.00 -1.24 -0.73 116.94 113.68 2giq h PHE 430 Ca -0.05 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.66 2giq h PHE 430 Cb 1.56 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 41.00 2giq h PHE 430 CO 0.04 0.55 0.17 1.03 -1.61 0.00 0.00 178.31 178.49 2giq h SER 431 N 0.33 0.30 -0.09 2.17 0.87 -1.07 -0.35 113.55 115.70 2giq h SER 431 Ca 0.06 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2giq h SER 431 Cb 0.55 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2giq h SER 431 CO 0.04 0.22 0.06 0.40 -0.53 0.00 0.00 176.83 177.01 2giq h ILE 432 N 0.35 1.06 -0.52 2.23 2.04 -1.05 -2.45 117.51 119.17 2giq h ILE 432 Ca 0.09 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 2giq h ILE 432 Cb -0.04 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2giq h ILE 432 CO -0.02 0.06 0.01 -0.07 0.00 0.00 0.00 178.15 178.13 2giq h LEU 433 N 0.08 0.83 -0.19 1.44 3.38 -1.02 -2.53 115.31 117.30 2giq h LEU 433 Ca 0.03 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.84 2giq h LEU 433 Cb 0.04 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 2giq h LEU 433 CO -0.01 0.89 -0.10 -0.07 0.09 0.00 0.00 178.44 179.25 2giq h LEU 434 N 0.81 -0.32 -1.39 1.67 3.38 -0.98 -0.34 115.31 118.13 2giq h LEU 434 Ca 0.16 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.24 2giq h LEU 434 Cb 0.47 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 2giq h LEU 434 CO 0.02 -0.13 0.44 0.00 0.09 0.00 0.00 178.44 178.87 2giq h ALA 435 N 1.09 1.64 -0.33 1.53 0.00 -1.02 -1.43 119.26 120.74 2giq h ALA 435 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2giq h ALA 435 Cb 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2giq h ALA 435 CO -0.24 0.28 0.00 1.04 0.00 0.00 0.00 179.25 180.33 2giq n GLN 436 N -4.46 2.22 -4.02 0.00 1.13 -1.06 -4.95 117.38 106.23 2giq n GLN 436 Ca 0.08 -1.84 -0.27 0.00 -1.94 0.00 0.00 57.00 53.03 2giq n GLN 436 Cb 0.14 -1.46 -0.07 0.00 0.11 0.00 0.00 30.24 28.95 2giq n GLN 436 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2giq n GLU 437 N 1.05 -0.90 -0.48 -1.09 1.02 -0.35 -4.84 120.64 115.05 2giq n GLU 437 Ca 0.18 0.06 0.08 0.00 -0.02 0.00 0.00 57.16 57.47 2giq n GLU 437 Cb 0.50 -2.89 0.28 0.00 -0.02 0.00 0.00 31.44 29.31 2giq n GLU 437 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2giq n GLN 438 N -4.03 3.38 -0.31 3.49 6.02 -0.28 -4.63 117.38 121.02 2giq n GLN 438 Ca -0.26 -2.71 0.15 0.00 -0.01 0.00 0.00 57.00 54.17 2giq n GLN 438 Cb 0.57 -1.77 0.33 0.00 1.02 0.00 0.00 30.24 30.39 2giq n GLN 438 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2giq h LEU 439 N 2.83 0.34 -1.09 1.08 4.07 -1.89 -2.01 115.31 118.63 2giq h LEU 439 Ca 0.00 0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.12 2giq h LEU 439 Cb 1.34 0.14 0.00 0.00 1.08 0.00 0.00 40.66 43.22 2giq h LEU 439 CO 0.20 -0.03 -0.10 -1.84 -1.08 0.00 0.00 178.44 175.59 2giq n GLU 440 N -5.05 1.60 -2.39 1.13 0.00 -1.26 -3.18 120.64 111.48 2giq n GLU 440 Ca 0.24 -1.09 -0.42 0.00 0.00 0.00 0.00 57.16 55.88 2giq n GLU 440 Cb 0.71 -1.48 -0.03 0.00 0.00 0.00 0.00 31.44 30.64 2giq n GLU 440 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2giq s LYS 441 N -2.16 4.31 0.32 3.44 2.20 -0.76 -4.91 119.74 122.19 2giq s LYS 441 Ca 0.31 1.75 -0.29 0.00 -0.36 0.00 0.00 55.97 57.38 2giq s LYS 441 Cb 0.20 -3.60 -0.10 0.00 -1.51 0.00 0.00 37.83 32.82 2giq s LYS 441 CO 0.39 -0.53 1.22 0.00 -0.36 0.00 0.00 175.35 176.07 2giq s ALA 442 N 2.49 3.43 0.09 3.13 0.00 -1.26 -4.35 121.76 125.31 2giq s ALA 442 Ca 0.58 1.10 0.07 0.00 0.00 0.00 0.00 51.96 53.72 2giq s ALA 442 Cb -0.26 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 2giq s ALA 442 CO 0.22 -0.45 -0.19 -0.51 0.00 0.00 0.00 175.76 174.82 2giq s LEU 443 N -1.73 2.29 -0.02 0.00 1.43 -0.15 -4.86 118.68 115.65 2giq s LEU 443 Ca 0.48 -0.67 -0.19 0.00 -1.03 0.00 0.00 54.13 52.72 2giq s LEU 443 Cb -0.36 -0.80 -0.05 0.00 0.03 0.00 0.00 46.19 45.00 2giq s LEU 443 CO 0.47 0.03 0.54 -1.81 0.23 0.00 0.00 176.35 175.81 2giq s ASP 444 N -1.86 6.91 0.22 2.29 1.01 -1.26 -0.78 116.67 123.20 2giq s ASP 444 Ca 0.04 1.08 -0.00 0.00 0.71 0.00 0.00 52.55 54.38 2giq s ASP 444 Cb -0.10 -2.33 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 2giq s ASP 444 CO 0.04 0.14 0.12 0.00 0.21 0.00 0.00 175.17 175.68 2giq s GLN 446 N -4.11 1.79 -0.10 0.00 -0.21 -1.26 -0.78 119.66 114.99 2giq s GLN 446 Ca 0.39 -0.39 0.01 0.00 0.02 0.00 0.00 55.36 55.39 2giq s GLN 446 Cb 0.07 -1.66 0.02 0.00 1.00 0.00 0.00 33.01 32.44 2giq s GLN 446 CO 0.13 -0.15 -0.13 0.42 -2.12 0.00 0.00 175.29 173.44 2giq s ILE 447 N 1.29 1.33 -1.58 1.08 1.01 -0.31 -4.74 121.20 119.26 2giq s ILE 447 Ca -0.02 -0.53 -0.13 0.00 0.00 0.00 0.00 60.65 59.97 2giq s ILE 447 Cb -0.14 -1.24 0.10 0.00 0.01 0.00 0.00 42.46 41.19 2giq s ILE 447 CO -0.04 0.41 0.79 -1.22 0.00 0.00 0.00 174.94 174.87 2giq n TYR 448 N 4.33 -1.92 0.00 3.97 4.01 -1.26 -1.90 117.16 124.38 2giq n TYR 448 Ca -0.18 0.83 0.00 0.00 -0.16 0.00 0.00 57.90 58.39 2giq n TYR 448 Cb 0.51 -3.49 0.00 0.00 -0.31 0.00 0.00 39.34 36.05 2giq n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2giq n GLY 449 N -1.60 3.00 3.83 2.72 0.00 -1.26 -1.06 105.19 110.81 2giq n GLY 449 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2giq n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2giq s ALA 450 N -1.18 3.41 -0.07 4.61 0.00 -0.80 -4.45 121.76 123.28 2giq s ALA 450 Ca 0.00 0.10 -0.15 0.00 0.00 0.00 0.00 51.96 51.91 2giq s ALA 450 Cb 0.00 -2.77 -0.05 0.00 0.00 0.00 0.00 23.12 20.30 2giq s ALA 450 CO 0.00 0.34 0.39 0.00 0.00 0.00 0.00 175.76 176.49 2giq s TYR 452 N -0.31 1.42 -0.28 0.00 1.51 0.04 0.60 117.35 120.33 2giq s TYR 452 Ca 0.22 -0.29 -0.10 0.00 -1.01 0.00 0.00 57.07 55.89 2giq s TYR 452 Cb -0.15 -0.89 -0.04 0.00 -0.11 0.00 0.00 41.96 40.77 2giq s TYR 452 CO 0.10 0.00 0.16 0.45 -1.11 0.00 0.00 175.55 175.15 2giq s SER 453 N -0.62 5.75 -0.03 2.29 0.15 -1.26 -1.11 113.70 118.87 2giq s SER 453 Ca 0.05 -0.14 0.02 0.00 0.70 0.00 0.00 55.95 56.58 2giq s SER 453 Cb -0.07 -2.06 0.01 0.00 -1.71 0.00 0.00 66.02 62.19 2giq s SER 453 CO 0.00 -0.07 -0.06 -0.63 1.20 0.00 0.00 173.24 173.68 2giq s ILE 454 N 1.71 0.61 -0.21 6.45 1.01 0.04 -4.87 121.20 125.94 2giq s ILE 454 Ca 0.07 -0.22 -0.25 0.00 0.00 0.00 0.00 60.65 60.25 2giq s ILE 454 Cb -0.16 -0.59 -0.01 0.00 0.01 0.00 0.00 42.46 41.71 2giq s ILE 454 CO 0.09 0.22 0.83 -1.61 0.00 0.00 0.00 174.94 174.46 2giq s GLU 455 N 0.53 4.24 0.46 2.79 2.02 -1.26 -0.98 118.70 126.50 2giq s GLU 455 Ca -0.07 0.98 0.26 0.00 0.02 0.00 0.00 54.97 56.15 2giq s GLU 455 Cb -0.11 -3.61 1.29 0.00 0.10 0.00 0.00 34.13 31.79 2giq s GLU 455 CO 0.00 -0.43 1.79 -1.35 0.02 0.00 0.00 175.26 175.30 2giq h PRO 456 N 7.51 0.22 0.00 0.39 0.11 -1.76 -0.24 132.00 138.23 2giq h PRO 456 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2giq h PRO 456 Cb 1.11 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2giq h PRO 456 CO 0.86 0.15 0.00 -0.07 -0.21 0.00 0.00 178.00 178.72 2giq h LEU 457 N 0.23 0.00 -0.67 2.35 3.38 -1.91 -2.14 115.31 116.55 2giq h LEU 457 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.54 2giq h LEU 457 Cb 1.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.52 2giq h LEU 457 CO -0.18 0.00 -0.03 0.47 0.09 0.00 0.00 178.44 178.79 2giq n ASP 458 N -2.63 1.07 -0.22 -0.43 8.00 -0.10 -4.51 116.55 117.74 2giq n ASP 458 Ca -0.00 -1.26 -0.04 0.00 0.71 0.00 0.00 54.79 54.19 2giq n ASP 458 Cb 0.16 0.01 0.06 0.00 -0.02 0.00 0.00 41.12 41.32 2giq n ASP 458 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2giq h LEU 459 N 1.62 0.63 -0.69 0.64 3.38 -1.51 -1.93 115.31 117.46 2giq h LEU 459 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 2giq h LEU 459 Cb 0.39 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 2giq h LEU 459 CO 0.00 0.44 0.24 -0.65 0.09 0.00 0.00 178.44 178.56 2giq h PRO 460 N 0.76 0.38 -0.37 1.13 0.11 -1.84 0.15 132.00 132.32 2giq h PRO 460 Ca 0.25 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.23 2giq h PRO 460 Cb 0.01 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 2giq h PRO 460 CO -0.10 0.25 -0.19 1.96 -0.21 0.00 0.00 178.00 179.72 2giq h GLN 461 N 0.39 0.78 -0.32 1.05 7.50 -1.78 -0.31 115.11 122.42 2giq h GLN 461 Ca 0.37 -0.34 -0.01 0.00 0.50 0.00 0.00 58.65 59.16 2giq h GLN 461 Cb 0.54 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.03 2giq h GLN 461 CO -0.39 0.97 0.16 0.82 -1.50 0.00 0.00 178.83 178.89 2giq h ILE 462 N 0.57 1.15 -0.45 2.54 2.04 -1.02 -1.54 117.51 120.80 2giq h ILE 462 Ca 0.08 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 2giq h ILE 462 Cb 0.74 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 2giq h ILE 462 CO 0.06 0.15 0.20 0.40 0.00 0.00 0.00 178.15 178.96 2giq h ILE 463 N 0.38 1.20 -0.41 -0.67 2.04 -0.56 -0.77 117.51 118.72 2giq h ILE 463 Ca 0.11 -0.58 0.06 0.00 1.00 0.00 0.00 64.86 65.44 2giq h ILE 463 Cb 0.09 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 2giq h ILE 463 CO -0.02 0.22 0.12 -0.08 0.00 0.00 0.00 178.15 178.39 2giq h GLU 464 N 0.59 0.26 -0.62 2.37 4.81 -0.93 0.10 114.58 121.16 2giq h GLU 464 Ca 0.15 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.28 2giq h GLU 464 Cb 0.16 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2giq h GLU 464 CO -0.02 0.17 0.03 -0.09 -0.73 0.00 0.00 179.01 178.37 2giq h ARG 465 N 0.26 1.07 0.19 1.92 9.65 -0.94 0.35 114.38 126.89 2giq h ARG 465 Ca 0.19 -0.32 -0.31 0.00 -1.10 0.00 0.00 59.98 58.44 2giq h ARG 465 Cb 0.21 -0.11 0.02 0.00 -1.39 0.00 0.00 29.97 28.70 2giq h ARG 465 CO -0.22 1.02 -1.39 -0.07 2.80 0.00 0.00 179.97 182.11 2giq h LEU 466 N 0.98 0.64 0.00 3.80 3.38 -0.86 -3.40 115.31 119.85 2giq h LEU 466 Ca 0.18 -0.70 -0.00 0.00 0.09 0.00 0.00 57.88 57.45 2giq h LEU 466 Cb 0.53 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2giq h LEU 466 CO 0.03 1.55 -1.11 1.41 0.09 0.00 0.00 178.44 180.41 2giq n HIS 467 N -3.62 0.00 0.00 1.13 8.25 0.34 -4.73 115.22 116.59 2giq n HIS 467 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2giq n HIS 467 Cb 1.07 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 32.12 2giq n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2giq n GLY 468 N 2.42 -0.76 0.32 -1.41 0.00 0.11 -4.51 105.19 101.36 2giq n GLY 468 Ca -0.01 -1.66 0.21 0.00 0.00 0.00 0.00 46.02 44.56 2giq n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2giq h LEU 469 N 0.00 0.00 -2.41 0.99 3.38 -1.89 -2.30 115.31 113.08 2giq h LEU 469 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2giq h LEU 469 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2giq h LEU 469 CO 0.00 0.01 -0.03 0.77 0.09 0.00 0.00 178.44 179.28 2giq h SER 470 N 0.00 0.00 -0.10 -0.43 4.64 -1.97 -1.63 113.55 114.05 2giq h SER 470 Ca -0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 2giq h SER 470 Cb 0.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2giq h SER 470 CO 0.00 0.03 0.13 0.00 -0.87 0.00 0.00 176.83 176.12 2giq h ALA 471 N 1.97 1.65 -0.19 5.18 0.00 -1.64 -0.35 119.26 125.88 2giq h ALA 471 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2giq h ALA 471 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2giq h ALA 471 CO 0.00 -0.18 0.00 1.19 0.00 0.00 0.00 179.25 180.26 2giq n PHE 472 N -3.75 0.24 -0.23 0.00 3.72 -0.61 -4.42 117.46 112.41 2giq n PHE 472 Ca -0.00 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 2giq n PHE 472 Cb 0.23 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 2giq n PHE 472 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2giq n SER 473 N 0.87 0.26 -4.76 4.37 7.64 -0.22 -4.51 113.62 117.27 2giq n SER 473 Ca 0.17 -0.63 -0.40 0.00 1.01 0.00 0.00 58.87 59.03 2giq n SER 473 Cb 0.47 0.27 0.02 0.00 -1.01 0.00 0.00 64.21 63.97 2giq n SER 473 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2giq s LEU 474 N -0.54 4.06 0.37 -3.43 1.43 -0.74 -3.97 118.68 115.86 2giq s LEU 474 Ca 0.00 2.91 -0.14 0.00 -1.03 0.00 0.00 54.13 55.87 2giq s LEU 474 Cb 0.00 -4.00 0.04 0.00 0.03 0.00 0.00 46.19 42.27 2giq s LEU 474 CO 0.00 -1.27 0.73 -1.38 0.23 0.00 0.00 176.35 174.66 2giq s HIS 475 N -1.22 0.25 -1.13 0.29 -3.43 0.08 -4.96 115.29 105.17 2giq s HIS 475 Ca 0.63 -0.84 -0.19 0.00 -0.80 0.00 0.00 55.06 53.86 2giq s HIS 475 Cb -0.43 0.68 -0.02 0.00 -1.43 0.00 0.00 32.58 31.38 2giq s HIS 475 CO 0.55 -1.48 0.81 0.43 -2.00 0.00 0.00 174.74 173.05 2giq n SER 476 N -1.34 -5.44 -4.71 7.38 7.64 -1.26 -0.34 113.62 115.56 2giq n SER 476 Ca -0.07 -0.98 -0.30 0.00 1.01 0.00 0.00 58.87 58.53 2giq n SER 476 Cb 0.60 -3.61 0.14 0.00 -1.01 0.00 0.00 64.21 60.33 2giq n SER 476 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2giq s TYR 477 N -3.46 2.22 0.58 1.43 1.51 -1.26 -3.92 117.35 114.44 2giq s TYR 477 Ca 0.47 1.39 -0.19 0.00 -1.01 0.00 0.00 57.07 57.73 2giq s TYR 477 Cb -0.15 -3.15 -0.04 0.00 -0.11 0.00 0.00 41.96 38.50 2giq s TYR 477 CO 0.85 -2.42 1.18 -1.54 -1.11 0.00 0.00 175.55 172.50 2giq s SER 478 N -3.25 5.38 0.38 2.29 1.04 -1.16 -4.86 113.70 113.51 2giq s SER 478 Ca 0.64 2.30 0.05 0.00 0.48 0.00 0.00 55.95 59.41 2giq s SER 478 Cb -0.19 -2.59 0.74 0.00 0.10 0.00 0.00 66.02 64.08 2giq s SER 478 CO 0.57 -1.46 2.03 -0.65 0.98 0.00 0.00 173.24 174.72 2giq h PRO 479 N 0.98 0.69 -0.66 4.02 0.11 -1.94 -1.53 132.00 133.66 2giq h PRO 479 Ca -0.50 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.56 2giq h PRO 479 Cb 1.28 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 2giq h PRO 479 CO 0.56 0.46 0.40 0.78 -0.21 0.00 0.00 178.00 179.99 2giq h GLY 480 N 0.71 0.96 0.87 -0.55 0.00 -1.99 -0.00 103.07 103.08 2giq h GLY 480 Ca 0.19 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 47.03 2giq h GLY 480 CO -0.04 0.39 -0.22 -2.09 0.00 0.00 0.00 176.54 174.58 2giq h GLU 481 N 0.90 0.56 -0.60 4.80 4.57 -1.87 -1.63 114.58 121.30 2giq h GLU 481 Ca 0.24 -0.29 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 2giq h GLU 481 Cb -0.03 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 2giq h GLU 481 CO -0.04 0.87 0.16 0.82 -1.18 0.00 0.00 179.01 179.64 2giq h ILE 482 N 0.25 1.25 -0.53 2.32 2.04 -1.19 -1.28 117.51 120.38 2giq h ILE 482 Ca 0.04 -0.89 -0.07 0.00 1.00 0.00 0.00 64.86 64.94 2giq h ILE 482 Cb 0.77 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 2giq h ILE 482 CO 0.05 0.33 0.05 0.78 0.00 0.00 0.00 178.15 179.37 2giq h ASN 483 N 0.87 0.88 -0.53 1.72 2.35 -0.97 -0.63 115.58 119.27 2giq h ASN 483 Ca 0.19 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 2giq h ASN 483 Cb 0.34 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 2giq h ASN 483 CO -0.00 0.94 0.28 -0.09 -1.65 0.00 0.00 177.43 176.91 2giq h ARG 484 N 0.79 0.75 0.38 0.81 2.43 -1.10 -0.66 114.38 117.77 2giq h ARG 484 Ca 0.16 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2giq h ARG 484 Cb 0.46 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2giq h ARG 484 CO 0.02 0.59 -0.18 0.28 -1.51 0.00 0.00 179.97 179.17 2giq h VAL 485 N 0.71 0.64 -0.72 0.20 2.07 -1.06 -1.98 116.25 116.11 2giq h VAL 485 Ca 0.19 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.66 2giq h VAL 485 Cb 0.07 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.48 2giq h VAL 485 CO -0.03 0.03 0.36 0.00 0.02 0.00 0.00 177.57 177.95 2giq h ALA 486 N 0.02 0.99 -0.24 1.67 0.00 -1.02 -1.42 119.26 119.27 2giq h ALA 486 Ca -0.05 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2giq h ALA 486 Cb 0.43 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2giq h ALA 486 CO 0.08 -0.04 -0.30 0.66 0.00 0.00 0.00 179.25 179.65 2giq h SER 487 N 0.61 0.49 -0.37 0.00 4.64 -1.05 -1.89 113.55 115.99 2giq h SER 487 Ca 0.35 -0.18 -0.11 0.00 -0.47 0.00 0.00 61.79 61.38 2giq h SER 487 Cb 0.37 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 2giq h SER 487 CO -0.27 0.77 -0.17 0.00 -0.87 0.00 0.00 176.83 176.29 2giq h LEU 489 N 0.74 0.45 -0.52 0.00 3.38 -0.91 -1.43 115.31 117.02 2giq h LEU 489 Ca 0.11 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2giq h LEU 489 Cb 0.69 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2giq h LEU 489 CO 0.05 0.48 0.33 0.03 0.09 0.00 0.00 178.44 179.42 2giq h ARG 490 N 0.40 0.65 -0.73 1.13 3.08 -1.28 0.18 114.38 117.80 2giq h ARG 490 Ca 0.11 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.15 2giq h ARG 490 Cb 0.16 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 2giq h ARG 490 CO -0.01 0.43 0.47 -0.22 -1.07 0.00 0.00 179.97 179.56 2giq h LYS 491 N 0.67 0.89 -0.00 0.04 3.64 -0.97 -2.96 116.57 117.88 2giq h LYS 491 Ca 0.20 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2giq h LYS 491 Cb -0.04 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.58 2giq h LYS 491 CO -0.06 0.59 -0.49 1.28 -2.27 0.00 0.00 179.45 178.50 2giq n LEU 492 N -4.63 0.97 -1.60 5.20 4.32 -0.56 -4.92 117.00 115.79 2giq n LEU 492 Ca 0.08 -0.27 -0.09 0.00 -0.02 0.00 0.00 56.01 55.71 2giq n LEU 492 Cb 0.07 -0.13 0.03 0.00 -1.62 0.00 0.00 43.42 41.77 2giq n LEU 492 CO 0.34 0.20 0.07 0.61 -1.22 0.00 0.00 177.39 177.39 2giq n GLY 493 N 1.43 0.35 3.81 -0.72 0.00 0.03 -1.91 105.19 108.18 2giq n GLY 493 Ca 0.08 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 2giq n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2giq s VAL 494 N -3.05 5.08 0.53 1.61 1.01 0.42 -1.30 120.40 124.70 2giq s VAL 494 Ca 0.20 0.82 -0.21 0.00 0.00 0.00 0.00 61.98 62.79 2giq s VAL 494 Cb -0.09 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.51 2giq s VAL 494 CO 0.25 0.53 1.05 -2.65 0.00 0.00 0.00 175.10 174.28 2giq n PRO 495 N 2.20 1.20 -1.16 2.72 -0.02 -1.26 -4.46 135.00 134.21 2giq n PRO 495 Ca -0.13 0.45 -0.30 0.00 -2.02 0.00 0.00 63.50 61.50 2giq n PRO 495 Cb 0.52 -2.20 0.14 0.00 -0.02 0.00 0.00 33.50 31.94 2giq n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2giq s PRO 496 N -2.53 1.20 0.49 0.52 0.04 -1.26 -4.80 135.00 128.66 2giq s PRO 496 Ca 0.71 0.86 0.19 0.00 0.04 0.00 0.00 61.00 62.79 2giq s PRO 496 Cb -0.46 -1.80 1.23 0.00 0.04 0.00 0.00 34.50 33.51 2giq s PRO 496 CO 0.51 -2.29 2.02 -0.07 0.04 0.00 0.00 177.00 177.21 2giq h LEU 497 N -1.59 0.14 -1.45 -3.56 3.38 -1.99 0.03 115.31 110.28 2giq h LEU 497 Ca -0.49 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 2giq h LEU 497 Cb 1.28 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 2giq h LEU 497 CO 0.54 0.09 0.09 0.08 0.09 0.00 0.00 178.44 179.33 2giq h ARG 498 N 0.16 0.45 -0.18 1.13 0.11 -2.00 -1.10 114.38 112.95 2giq h ARG 498 Ca 0.21 -0.06 -0.04 0.00 0.10 0.00 0.00 59.98 60.18 2giq h ARG 498 Cb 0.61 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.60 2giq h ARG 498 CO -0.03 0.41 -0.06 0.28 0.10 0.00 0.00 179.97 180.67 2giq h VAL 499 N 0.45 1.29 -0.72 0.08 2.07 -1.32 -2.79 116.25 115.31 2giq h VAL 499 Ca 0.11 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.59 2giq h VAL 499 Cb 0.16 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 2giq h VAL 499 CO -0.01 0.32 0.48 -0.50 0.02 0.00 0.00 177.57 177.88 2giq h TRP 500 N 0.06 0.87 -0.42 1.57 4.06 -1.32 -0.80 115.95 119.98 2giq h TRP 500 Ca 0.04 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.01 2giq h TRP 500 Cb 0.51 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.36 2giq h TRP 500 CO 0.06 0.53 0.26 -0.09 -3.56 0.00 0.00 178.44 175.64 2giq h ARG 501 N 0.93 0.56 -0.25 0.49 2.43 -1.16 0.51 114.38 117.89 2giq h ARG 501 Ca 0.27 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2giq h ARG 501 Cb -0.03 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 2giq h ARG 501 CO -0.07 0.40 0.16 1.25 -1.51 0.00 0.00 179.97 180.20 2giq h HIS 502 N 0.55 0.30 -0.91 2.20 2.76 -1.06 -2.52 115.15 116.47 2giq h HIS 502 Ca 0.15 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2giq h HIS 502 Cb -0.02 -0.10 -0.04 0.00 1.55 0.00 0.00 27.41 28.79 2giq h HIS 502 CO -0.04 0.19 0.58 0.00 -1.30 0.00 0.00 177.93 177.36 2giq h ARG 503 N 0.33 1.22 -0.48 5.26 3.08 -0.98 -2.98 114.38 119.82 2giq h ARG 503 Ca 0.09 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2giq h ARG 503 Cb -0.03 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.73 2giq h ARG 503 CO -0.02 0.84 0.10 0.00 -1.07 0.00 0.00 179.97 179.81 2giq h ALA 504 N 1.32 1.27 -0.81 0.04 0.00 -0.53 -0.62 119.26 119.92 2giq h ALA 504 Ca 0.33 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.09 2giq h ALA 504 Cb -0.09 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 2giq h ALA 504 CO -0.07 0.51 0.51 0.00 0.00 0.00 0.00 179.25 180.20 2giq h ARG 505 N 0.71 0.92 -0.08 0.00 3.08 -1.31 0.11 114.38 117.82 2giq h ARG 505 Ca 0.16 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 2giq h ARG 505 Cb 0.30 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 2giq h ARG 505 CO 0.00 0.61 0.01 1.03 -1.07 0.00 0.00 179.97 180.55 2giq h SER 506 N 0.95 0.13 -0.61 7.04 0.87 -1.38 -2.02 113.55 118.53 2giq h SER 506 Ca 0.34 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 2giq h SER 506 Cb 0.10 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 2giq h SER 506 CO -0.15 0.36 0.36 0.58 -0.53 0.00 0.00 176.83 177.45 2giq h VAL 507 N -0.11 1.18 -0.32 2.23 2.07 -0.81 -1.01 116.25 119.49 2giq h VAL 507 Ca 0.02 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.16 2giq h VAL 507 Cb 0.29 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 2giq h VAL 507 CO 0.00 0.19 0.08 -0.09 0.02 0.00 0.00 177.57 177.78 2giq h ARG 508 N 0.82 0.20 -0.84 1.57 2.43 -0.79 -0.43 114.38 117.34 2giq h ARG 508 Ca 0.22 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 2giq h ARG 508 Cb -0.00 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 2giq h ARG 508 CO -0.04 0.13 0.45 0.00 -1.51 0.00 0.00 179.97 179.00 2giq h ALA 509 N 1.22 1.08 -0.53 2.80 0.00 -0.97 -0.87 119.26 121.99 2giq h ALA 509 Ca 0.14 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2giq h ALA 509 Cb 0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2giq h ALA 509 CO -0.17 0.60 -0.08 0.00 0.00 0.00 0.00 179.25 179.60 2giq h ARG 510 N 1.18 0.97 -0.22 0.00 3.08 -0.86 -1.80 114.38 116.73 2giq h ARG 510 Ca 0.29 -0.33 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 2giq h ARG 510 Cb 0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2giq h ARG 510 CO -0.05 1.00 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.78 2giq h LEU 511 N 0.87 0.38 -1.28 3.04 3.38 -0.85 -2.98 115.31 117.87 2giq h LEU 511 Ca 0.14 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 57.87 2giq h LEU 511 Cb 0.62 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 2giq h LEU 511 CO 0.04 0.61 0.53 -0.07 0.09 0.00 0.00 178.44 179.63 2giq h LEU 512 N 0.14 0.76 -1.76 1.67 3.38 -1.07 -1.34 115.31 117.09 2giq h LEU 512 Ca 0.06 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2giq h LEU 512 Cb 0.42 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2giq h LEU 512 CO 0.01 0.48 -0.16 0.28 0.09 0.00 0.00 178.44 179.15 2giq h SER 513 N 0.86 0.00 0.97 -0.43 0.02 -1.19 -2.39 113.55 111.39 2giq h SER 513 Ca 0.35 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.27 2giq h SER 513 Cb 0.27 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 2giq h SER 513 CO -0.13 0.16 -0.16 1.56 -1.14 0.00 0.00 176.83 177.12 2giq h GLN 514 N 0.00 0.00 0.00 3.45 1.08 -1.10 -3.50 115.11 115.04 2giq h GLN 514 Ca -0.00 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.38 2giq h GLN 514 Cb 0.32 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.70 2giq h GLN 514 CO 0.02 0.16 -0.24 0.41 -0.95 0.00 0.00 178.83 178.23 2giq n GLY 515 N 0.13 -2.05 7.00 3.46 0.00 -0.90 -4.85 105.19 107.98 2giq n GLY 515 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 2giq n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2giq n GLY 516 N -2.46 2.43 0.30 -0.02 0.00 -1.26 -2.18 105.19 102.00 2giq n GLY 516 Ca 0.00 -0.44 0.05 0.00 0.00 0.00 0.00 46.02 45.64 2giq n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2giq h ARG 517 N 0.00 0.39 -0.53 1.61 3.08 -1.93 -2.10 114.38 114.91 2giq h ARG 517 Ca 0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2giq h ARG 517 Cb 0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 2giq h ARG 517 CO 0.00 0.26 0.29 0.00 -1.07 0.00 0.00 179.97 179.44 2giq h ALA 518 N 1.81 0.68 -0.79 0.04 0.00 -1.78 -1.92 119.26 117.28 2giq h ALA 518 Ca 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2giq h ALA 518 Cb -0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2giq h ALA 518 CO -0.03 0.20 0.38 0.00 0.00 0.00 0.00 179.25 179.80 2giq h ALA 519 N 1.12 1.03 -0.88 0.00 0.00 -0.89 -1.65 119.26 117.99 2giq h ALA 519 Ca 0.19 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2giq h ALA 519 Cb 0.05 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.47 2giq h ALA 519 CO -0.03 0.59 0.56 1.15 0.00 0.00 0.00 179.25 181.52 2giq h THR 520 N 1.13 1.09 -0.32 0.00 2.02 -1.17 0.18 112.91 115.83 2giq h THR 520 Ca 0.27 -0.36 0.03 0.00 0.77 0.00 0.00 66.41 67.12 2giq h THR 520 Cb 0.13 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.46 2giq h THR 520 CO -0.03 0.19 0.14 0.00 0.37 0.00 0.00 175.52 176.19 2giq h GLY 522 N 0.30 0.29 0.87 0.00 0.00 -0.41 -0.70 103.07 103.42 2giq h GLY 522 Ca 0.14 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 2giq h GLY 522 CO -0.11 -0.05 -0.05 1.70 0.00 0.00 0.00 176.54 178.03 2giq h LYS 523 N 0.10 -0.12 0.00 4.80 3.64 -0.39 -2.99 116.57 121.60 2giq h LYS 523 Ca 0.14 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 2giq h LYS 523 Cb 0.18 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2giq h LYS 523 CO -0.22 0.03 -0.45 1.88 -2.27 0.00 0.00 179.45 178.42 2giq h TYR 524 N -0.26 0.00 0.00 1.91 -1.99 -1.13 -3.17 116.97 112.33 2giq h TYR 524 Ca -0.01 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.66 2giq h TYR 524 Cb 0.21 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.94 2giq h TYR 524 CO -0.03 1.17 -0.29 -0.07 -0.00 0.00 0.00 178.16 178.94 2giq h LEU 525 N -1.00 0.00 -2.90 3.88 3.38 -1.27 -3.28 115.31 114.11 2giq h LEU 525 Ca -0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2giq h LEU 525 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 2giq h LEU 525 CO -0.07 0.29 -0.09 0.49 0.09 0.00 0.00 178.44 179.14 2giq n PHE 526 N -3.73 0.00 0.21 1.13 3.72 -1.13 -4.68 117.46 112.98 2giq n PHE 526 Ca -0.01 -0.94 0.07 0.00 -0.05 0.00 0.00 57.45 56.52 2giq n PHE 526 Cb 0.39 -0.15 0.58 0.00 -0.94 0.00 0.00 39.48 39.37 2giq n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 2giq h ASN 527 N 0.08 0.09 -0.01 4.37 -0.00 -1.61 -1.49 115.58 117.02 2giq h ASN 527 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2giq h ASN 527 Cb 1.05 -0.02 -0.00 0.00 -0.00 0.00 0.00 38.32 39.34 2giq h ASN 527 CO 0.00 0.09 0.02 4.11 -0.00 0.00 0.00 177.43 181.65 2giq h TRP 528 N 0.11 0.00 0.00 0.67 5.08 -1.83 -2.95 115.95 117.02 2giq h TRP 528 Ca 0.03 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.00 2giq h TRP 528 Cb 0.02 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.18 2giq h TRP 528 CO 0.00 0.00 -0.62 0.00 -1.28 0.00 0.00 178.44 176.54 2giq h ALA 529 N 1.96 0.68 -2.76 0.11 0.00 -1.63 -3.46 119.26 114.17 2giq h ALA 529 Ca 0.01 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.32 2giq h ALA 529 Cb 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2giq h ALA 529 CO -0.00 0.00 -0.36 0.14 0.00 0.00 0.00 179.25 179.03 2giq s VAL 530 N -3.30 5.23 0.06 0.00 -7.23 -1.12 -4.77 120.40 109.27 2giq s VAL 530 Ca 0.03 -0.01 0.10 0.00 -1.81 0.00 0.00 61.98 60.29 2giq s VAL 530 Cb 0.08 -3.62 -0.09 0.00 0.56 0.00 0.00 36.38 33.31 2giq s VAL 530 CO 0.74 0.13 1.39 0.07 -0.31 0.00 0.00 175.10 177.12 2giq h LYS 531 N 3.14 0.00 -3.64 4.82 2.10 -1.89 -3.38 116.57 117.72 2giq h LYS 531 Ca -0.47 0.00 -0.73 0.00 -2.00 0.00 0.00 60.65 57.45 2giq h LYS 531 Cb 1.17 0.00 -0.32 0.00 -0.90 0.00 0.00 32.23 32.18 2giq h LYS 531 CO 0.72 0.78 -0.17 -0.08 -2.00 0.00 0.00 179.45 178.70 2giq s THR 532 N -2.93 4.47 0.56 0.07 -1.32 -1.26 -5.08 115.64 110.16 2giq s THR 532 Ca 0.02 -2.88 -0.21 0.00 -1.21 0.00 0.00 61.69 57.41 2giq s THR 532 Cb 0.10 -3.83 -0.04 0.00 -1.51 0.00 0.00 72.50 67.21 2giq s THR 532 CO 0.78 -0.95 1.33 -0.54 -2.21 0.00 0.00 174.62 173.03 2giq s LYS 533 N -0.12 3.08 0.63 7.08 3.01 -1.26 -5.04 119.74 127.12 2giq s LYS 533 Ca 0.18 2.16 -0.07 0.00 -1.01 0.00 0.00 55.97 57.23 2giq s LYS 533 Cb -0.16 -2.18 0.02 0.00 -1.01 0.00 0.00 37.83 34.50 2giq s LYS 533 CO -0.06 -1.22 0.96 -0.51 0.51 0.00 0.00 175.35 175.03 2giq s LEU 534 N -3.66 3.12 0.12 3.17 1.02 -1.26 -5.03 118.68 116.16 2giq s LEU 534 Ca 0.73 0.78 -0.26 0.00 0.02 0.00 0.00 54.13 55.40 2giq s LEU 534 Cb -0.39 -3.58 -0.05 0.00 0.02 0.00 0.00 46.19 42.19 2giq s LEU 534 CO 0.45 -1.18 1.63 0.07 0.02 0.00 0.00 176.35 177.34 2giq h LYS 535 N -0.32 -0.40 -4.83 1.70 2.10 -1.98 -3.49 116.57 109.36 2giq h LYS 535 Ca -0.45 0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 2giq h LYS 535 Cb 1.26 0.09 -0.04 0.00 -0.90 0.00 0.00 32.23 32.64 2giq h LYS 535 CO 0.61 -0.26 -1.05 1.28 -2.00 0.00 0.00 179.45 178.03 2giq n LEU 536 N -5.38 -6.76 -4.62 7.07 4.32 -1.26 -5.10 117.00 105.28 2giq n LEU 536 Ca -0.05 1.52 -0.27 0.00 -0.02 0.00 0.00 56.01 57.19 2giq n LEU 536 Cb 0.30 -3.05 -0.10 0.00 -1.62 0.00 0.00 43.42 38.95 2giq n LEU 536 CO 0.21 -3.07 -0.30 0.42 -1.22 0.00 0.00 177.39 173.43 2giq s THR 537 N -1.16 2.19 0.32 -5.08 -4.23 -1.26 -5.09 115.64 101.33 2giq s THR 537 Ca -0.08 -2.01 -0.29 0.00 -1.18 0.00 0.00 61.69 58.13 2giq s THR 537 Cb 0.01 -2.88 -0.13 0.00 1.34 0.00 0.00 72.50 70.84 2giq s THR 537 CO 0.69 -0.08 1.30 -2.65 -0.54 0.00 0.00 174.62 173.34 2giq n PRO 538 N -0.96 2.07 -2.92 3.99 -0.02 -1.26 -4.94 135.00 130.96 2giq n PRO 538 Ca -0.04 0.73 -0.41 0.00 -2.02 0.00 0.00 63.50 61.75 2giq n PRO 538 Cb 0.65 -2.31 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 2giq n PRO 538 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2giq s ILE 539 N -0.91 4.88 0.33 4.25 1.01 -1.26 -4.96 121.20 124.55 2giq s ILE 539 Ca 0.58 1.53 0.04 0.00 0.00 0.00 0.00 60.65 62.80 2giq s ILE 539 Cb -0.59 -4.10 0.29 0.00 0.01 0.00 0.00 42.46 38.07 2giq s ILE 539 CO 0.60 -0.01 1.92 -0.65 0.00 0.00 0.00 174.94 176.80 2giq h PRO 540 N 7.53 0.86 0.00 2.79 0.11 -2.04 -1.57 132.00 139.68 2giq h PRO 540 Ca -0.27 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 2giq h PRO 540 Cb 1.11 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 2giq h PRO 540 CO 0.84 0.57 -0.13 0.00 -0.21 0.00 0.00 178.00 179.07 2giq h ALA 541 N 1.56 1.60 -0.82 -0.75 0.00 -2.01 -3.13 119.26 115.70 2giq h ALA 541 Ca 0.37 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2giq h ALA 541 Cb 0.29 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2giq h ALA 541 CO -0.14 0.16 0.45 0.00 0.00 0.00 0.00 179.25 179.73 2giq h ALA 542 N 1.87 1.25 0.00 0.00 0.00 -1.60 -1.93 119.26 118.85 2giq h ALA 542 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2giq h ALA 542 Cb 0.26 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2giq h ALA 542 CO 0.02 0.61 0.00 -1.13 0.00 0.00 0.00 179.25 178.75 2giq n SER 543 N -4.35 0.61 0.05 0.00 3.41 -1.18 -3.00 113.62 109.17 2giq n SER 543 Ca 0.09 0.69 0.11 0.00 -0.26 0.00 0.00 58.87 59.50 2giq n SER 543 Cb 0.10 -0.81 -0.03 0.00 -0.26 0.00 0.00 64.21 63.21 2giq n SER 543 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2giq n ARG 544 N -2.22 0.50 -2.00 4.33 5.12 -0.73 -4.97 116.66 116.70 2giq n ARG 544 Ca 0.01 -0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.53 2giq n ARG 544 Cb 0.16 -1.67 -0.01 0.00 -1.16 0.00 0.00 32.46 29.78 2giq n ARG 544 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2giq s LEU 545 N -4.63 4.30 -0.86 0.55 1.43 -1.16 -4.95 118.68 113.36 2giq s LEU 545 Ca -0.01 2.78 -0.17 0.00 -1.03 0.00 0.00 54.13 55.69 2giq s LEU 545 Cb 0.12 -3.77 0.15 0.00 0.03 0.00 0.00 46.19 42.73 2giq s LEU 545 CO 0.82 -0.77 0.98 -0.62 0.23 0.00 0.00 176.35 176.98 2giq s ASP 546 N -0.50 6.62 -0.27 2.29 -1.08 -1.26 -4.83 116.67 117.63 2giq s ASP 546 Ca 0.53 -2.15 0.12 0.00 -0.52 0.00 0.00 52.55 50.53 2giq s ASP 546 Cb -0.41 -2.33 0.77 0.00 -1.46 0.00 0.00 42.92 39.49 2giq s ASP 546 CO 0.54 -0.93 1.74 0.18 0.52 0.00 0.00 175.17 177.22 2giq n LEU 547 N 5.78 5.79 -4.76 -1.34 4.32 -1.26 -4.93 117.00 120.60 2giq n LEU 547 Ca 0.17 -2.97 -0.40 0.00 -0.02 0.00 0.00 56.01 52.79 2giq n LEU 547 Cb 0.48 -0.71 -0.03 0.00 -1.62 0.00 0.00 43.42 41.54 2giq n LEU 547 CO 0.46 0.69 0.86 -0.94 -1.22 0.00 0.00 177.39 177.24 2giq s SER 548 N -0.83 7.02 0.00 -1.43 1.04 -1.26 -2.59 113.70 115.64 2giq s SER 548 Ca 0.53 2.42 0.00 0.00 0.48 0.00 0.00 55.95 59.38 2giq s SER 548 Cb 0.41 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.90 2giq s SER 548 CO 0.15 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.64 2giq n GLY 549 N 0.98 2.78 3.72 7.32 0.00 -1.26 -5.03 105.19 113.70 2giq n GLY 549 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2giq n GLY 549 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2giq s TRP 550 N -2.27 3.65 -1.27 1.61 0.52 -1.07 -4.11 118.94 116.00 2giq s TRP 550 Ca 0.00 1.65 -0.01 0.00 0.02 0.00 0.00 56.10 57.76 2giq s TRP 550 Cb 0.00 -3.17 -0.00 0.00 -1.15 0.00 0.00 33.47 29.15 2giq s TRP 550 CO 0.00 -0.22 0.75 1.19 0.02 0.00 0.00 176.95 178.69 2giq n PHE 551 N 3.56 -1.97 -0.08 -1.98 3.72 -1.26 -4.94 117.46 114.51 2giq n PHE 551 Ca 0.05 0.84 -0.14 0.00 -0.05 0.00 0.00 57.45 58.16 2giq n PHE 551 Cb 0.49 -4.44 -0.05 0.00 -0.94 0.00 0.00 39.48 34.55 2giq n PHE 551 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2giq n VAL 552 N -4.20 1.35 -4.06 -4.37 0.31 -1.23 -4.27 118.33 101.86 2giq n VAL 552 Ca -0.28 -0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 63.95 2giq n VAL 552 Cb 0.67 -2.04 -0.08 0.00 -0.91 0.00 0.00 33.84 31.49 2giq n VAL 552 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2giq s ALA 553 N -2.59 0.39 0.09 3.52 0.00 -1.25 -3.82 121.76 118.09 2giq s ALA 553 Ca -0.26 -1.19 -0.10 0.00 0.00 0.00 0.00 51.96 50.42 2giq s ALA 553 Cb 0.07 1.02 -0.06 0.00 0.00 0.00 0.00 23.12 24.15 2giq s ALA 553 CO 0.36 -0.64 0.40 0.20 0.00 0.00 0.00 175.76 176.08 2giq s GLY 554 N -3.04 2.34 -0.00 0.00 0.00 -1.26 -4.93 107.32 100.42 2giq s GLY 554 Ca 0.25 -0.38 0.14 0.00 0.00 0.00 0.00 44.72 44.72 2giq s GLY 554 CO 0.05 -0.17 1.09 -1.72 0.00 0.00 0.00 173.10 172.35 2giq n TYR 555 N 0.85 0.00 -1.64 1.90 4.01 -0.22 -4.54 117.16 117.52 2giq n TYR 555 Ca -0.08 -0.28 -0.50 0.00 -0.16 0.00 0.00 57.90 56.89 2giq n TYR 555 Cb 0.52 -0.10 -0.05 0.00 -0.31 0.00 0.00 39.34 39.40 2giq n TYR 555 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2giq n SER 556 N 0.24 2.39 0.00 7.72 2.88 -1.25 0.05 113.62 125.65 2giq n SER 556 Ca 0.03 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 2giq n SER 556 Cb 0.93 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 2giq n SER 556 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2giq n GLY 557 N 3.10 1.98 0.46 0.46 0.00 -1.26 -4.04 105.19 105.89 2giq n GLY 557 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 2giq n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2giq n GLY 558 N -2.00 -0.05 3.38 -0.02 0.00 0.11 -2.86 105.19 103.75 2giq n GLY 558 Ca 0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 2giq n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2giq n ASP 559 N 0.10 -2.50 -4.42 1.61 2.03 -1.26 -4.57 116.55 107.54 2giq n ASP 559 Ca 0.18 -0.59 -0.33 0.00 0.52 0.00 0.00 54.79 54.57 2giq n ASP 559 Cb 0.36 -4.99 -0.14 0.00 -0.72 0.00 0.00 41.12 35.64 2giq n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2giq s ILE 560 N -3.35 3.24 -0.07 5.18 -1.09 -1.26 -4.34 121.20 119.52 2giq s ILE 560 Ca 0.06 -0.61 0.04 0.00 -2.23 0.00 0.00 60.65 57.91 2giq s ILE 560 Cb -0.03 -2.35 0.00 0.00 -1.58 0.00 0.00 42.46 38.50 2giq s ILE 560 CO 0.71 0.54 -0.19 -0.47 -1.23 0.00 0.00 174.94 174.29 2giq s TYR 561 N 0.09 2.06 0.00 3.97 5.04 0.98 -0.58 117.35 128.91 2giq s TYR 561 Ca -0.05 -0.74 0.00 0.00 -2.44 0.00 0.00 57.07 53.84 2giq s TYR 561 Cb -0.14 -1.40 0.00 0.00 0.35 0.00 0.00 41.96 40.76 2giq s TYR 561 CO 0.04 -0.30 0.00 0.72 -1.34 0.00 0.00 175.55 174.67