#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 4.77 0.29 -0.41 1.00 -1.26 -1.74 119.30 121.95 2giq s MET 2 Ca 0.00 1.53 -0.01 0.00 0.00 0.00 0.00 55.69 57.21 2giq s MET 2 Cb 0.00 -3.19 0.44 0.00 0.00 0.00 0.00 34.83 32.08 2giq s MET 2 CO 0.00 0.42 1.88 0.66 0.00 0.00 0.00 175.02 177.98 2giq h SER 3 N 3.94 0.81 -5.09 3.03 4.64 -1.47 -3.41 113.55 115.99 2giq h SER 3 Ca -0.46 -0.10 -0.12 0.00 -0.47 0.00 0.00 61.79 60.65 2giq h SER 3 Cb 1.20 -0.21 -0.17 0.00 -0.31 0.00 0.00 62.40 62.91 2giq h SER 3 CO 0.67 0.71 -0.47 -0.31 -0.87 0.00 0.00 176.83 176.56 2giq s TYR 4 N -5.43 0.16 0.11 4.77 2.02 -1.26 -1.46 117.35 116.25 2giq s TYR 4 Ca -0.10 -0.44 0.09 0.00 -0.37 0.00 0.00 57.07 56.24 2giq s TYR 4 Cb 0.16 -0.11 -0.04 0.00 -0.40 0.00 0.00 41.96 41.58 2giq s TYR 4 CO 0.79 -0.40 -0.21 0.95 -1.57 0.00 0.00 175.55 175.12 2giq s THR 5 N -2.69 1.78 0.06 -0.71 -4.23 -0.61 -4.84 115.64 104.41 2giq s THR 5 Ca -0.04 -1.62 0.05 0.00 -1.18 0.00 0.00 61.69 58.90 2giq s THR 5 Cb -0.01 -1.64 -0.03 0.00 1.34 0.00 0.00 72.50 72.17 2giq s THR 5 CO -0.05 -0.09 -0.15 0.26 -0.54 0.00 0.00 174.62 174.06 2giq s TRP 6 N -1.29 1.28 -0.13 3.99 0.52 -1.26 -1.25 118.94 120.79 2giq s TRP 6 Ca 0.09 -0.41 0.18 0.00 0.02 0.00 0.00 56.10 55.97 2giq s TRP 6 Cb -0.09 -0.73 -0.14 0.00 -1.15 0.00 0.00 33.47 31.35 2giq s TRP 6 CO 0.05 0.06 0.78 0.25 0.02 0.00 0.00 176.95 178.10 2giq n THR 7 N 1.55 1.09 0.00 2.01 -2.24 0.25 -4.89 114.28 112.04 2giq n THR 7 Ca -0.20 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 2giq n THR 7 Cb 0.54 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 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 1.39 1.80 3.76 3.38 0.00 -1.26 -5.07 105.19 109.19 2giq n GLY 8 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 2giq n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2giq s ALA 9 N -2.33 3.07 0.45 4.61 0.00 -1.26 -4.99 121.76 121.31 2giq s ALA 9 Ca 0.00 1.29 -0.12 0.00 0.00 0.00 0.00 51.96 53.12 2giq s ALA 9 Cb 0.00 -3.53 -0.07 0.00 0.00 0.00 0.00 23.12 19.53 2giq s ALA 9 CO 0.00 -1.08 0.84 -0.51 0.00 0.00 0.00 175.76 175.02 2giq s LEU 10 N -2.94 3.75 -0.24 0.00 1.43 -1.26 -4.79 118.68 114.63 2giq s LEU 10 Ca 0.64 1.27 -0.25 0.00 -1.03 0.00 0.00 54.13 54.75 2giq s LEU 10 Cb -0.39 -4.17 -0.00 0.00 0.03 0.00 0.00 46.19 41.66 2giq s LEU 10 CO 0.49 -0.47 0.86 -0.63 0.23 0.00 0.00 176.35 176.82 2giq s ILE 11 N -2.48 4.82 0.13 -0.59 1.01 -1.26 -4.81 121.20 118.01 2giq s ILE 11 Ca 0.53 1.64 0.06 0.00 0.00 0.00 0.00 60.65 62.89 2giq s ILE 11 Cb -0.10 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 2giq s ILE 11 CO 0.32 -0.08 -0.03 0.42 0.00 0.00 0.00 174.94 175.57 2giq s THR 12 N 2.86 3.71 0.72 2.92 -4.23 -1.26 -4.90 115.64 115.47 2giq s THR 12 Ca 0.36 -1.25 -0.10 0.00 -1.18 0.00 0.00 61.69 59.52 2giq s THR 12 Cb -0.15 -2.80 0.04 0.00 1.34 0.00 0.00 72.50 70.93 2giq s THR 12 CO 0.07 0.02 1.08 -2.16 -0.54 0.00 0.00 174.62 173.10 2giq s PRO 13 N -2.55 2.46 -0.08 3.99 0.04 -1.26 -4.38 135.00 133.22 2giq s PRO 13 Ca 0.25 0.16 0.20 0.00 0.04 0.00 0.00 61.00 61.66 2giq s PRO 13 Cb -0.11 -2.06 -0.29 0.00 0.04 0.00 0.00 34.50 32.09 2giq s PRO 13 CO 0.17 -1.21 0.37 0.00 0.04 0.00 0.00 177.00 176.37 2giq s ALA 15 N -3.13 0.26 0.30 0.00 0.00 -1.26 -5.13 121.76 112.80 2giq s ALA 15 Ca -0.08 -1.20 -0.29 0.00 0.00 0.00 0.00 51.96 50.39 2giq s ALA 15 Cb 0.11 1.12 -0.13 0.00 0.00 0.00 0.00 23.12 24.21 2giq s ALA 15 CO 0.87 -0.81 1.27 0.00 0.00 0.00 0.00 175.76 177.09 2giq n ALA 16 N -0.45 0.94 -2.72 0.00 0.00 -1.26 -4.99 120.51 112.03 2giq n ALA 16 Ca -0.01 0.38 -0.33 0.00 0.00 0.00 0.00 53.44 53.48 2giq n ALA 16 Cb 0.62 -2.21 -0.13 0.00 0.00 0.00 0.00 19.45 17.73 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 -1.40 2.95 -0.15 0.00 2.02 -1.26 -5.12 118.70 115.75 2giq s GLU 17 Ca 0.60 -0.62 -0.07 0.00 0.02 0.00 0.00 54.97 54.89 2giq s GLU 17 Cb -0.62 -2.58 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 2giq s GLU 17 CO 0.58 0.48 0.10 -1.21 0.02 0.00 0.00 175.26 175.24 2giq s GLU 18 N -0.34 3.68 -0.12 1.61 2.02 -1.26 -4.99 118.70 119.31 2giq s GLU 18 Ca 0.04 -0.24 0.13 0.00 0.02 0.00 0.00 54.97 54.92 2giq s GLU 18 Cb -0.13 -3.20 -0.18 0.00 0.10 0.00 0.00 34.13 30.72 2giq s GLU 18 CO 0.02 0.54 0.10 -1.13 0.02 0.00 0.00 175.26 174.81 2giq n SER 19 N 2.73 1.53 -4.77 -0.19 3.41 -1.26 -4.59 113.62 110.48 2giq n SER 19 Ca -0.18 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.03 2giq n SER 19 Cb 0.53 0.99 -0.06 0.00 -0.26 0.00 0.00 64.21 65.42 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 -2.46 4.58 -0.08 4.33 1.02 -1.26 -1.26 119.74 124.61 2giq s LYS 20 Ca -0.07 1.18 -0.31 0.00 0.02 0.00 0.00 55.97 56.79 2giq s LYS 20 Cb 0.05 -3.28 -0.09 0.00 -0.52 0.00 0.00 37.83 33.99 2giq s LYS 20 CO 0.59 0.51 2.02 -0.11 -0.92 0.00 0.00 175.35 177.43 2giq n LEU 21 N 1.84 3.66 -4.77 3.17 7.94 -1.26 -4.91 117.00 122.67 2giq n LEU 21 Ca -0.05 0.74 -0.38 0.00 -1.11 0.00 0.00 56.01 55.22 2giq n LEU 21 Cb 0.49 -1.47 -0.01 0.00 0.53 0.00 0.00 43.42 42.96 2giq n LEU 21 CO 0.47 -0.11 0.86 -2.84 -1.11 0.00 0.00 177.39 174.66 2giq s PRO 22 N 4.87 3.86 -0.08 1.96 0.02 -1.26 -5.03 135.00 139.34 2giq s PRO 22 Ca 0.94 1.88 0.04 0.00 0.02 0.00 0.00 61.00 63.89 2giq s PRO 22 Cb -0.51 -2.55 -0.00 0.00 0.02 0.00 0.00 34.50 31.46 2giq s PRO 22 CO 0.44 -0.50 -0.22 0.42 -0.33 0.00 0.00 177.00 176.81 2giq s ILE 23 N -1.44 1.86 0.00 2.83 -1.09 -1.26 -4.74 121.20 117.37 2giq s ILE 23 Ca 0.61 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 58.10 2giq s ILE 23 Cb -0.31 -1.61 0.00 0.00 -1.58 0.00 0.00 42.46 38.96 2giq s ILE 23 CO 0.39 0.52 0.00 -0.46 -1.23 0.00 0.00 174.94 174.16 2giq n ASN 24 N 3.37 1.24 0.30 3.58 6.94 -1.26 -5.01 115.26 124.42 2giq n ASN 24 Ca -0.19 -0.75 0.19 0.00 -0.02 0.00 0.00 54.58 53.81 2giq n ASN 24 Cb 0.53 0.00 0.85 0.00 -2.36 0.00 0.00 39.78 38.80 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 1.00 0.00 -2.53 0.00 -2.00 -2.78 119.26 113.96 2giq h ALA 25 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2giq h ALA 25 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2giq h ALA 25 CO 0.00 0.01 -1.04 1.28 0.00 0.00 0.00 179.25 179.50 2giq n LEU 26 N -3.10 0.61 -0.01 0.00 4.77 -1.26 -4.61 117.00 113.40 2giq n LEU 26 Ca -0.01 0.04 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 2giq n LEU 26 Cb 0.23 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 2giq n LEU 26 CO 0.25 0.01 0.91 0.28 -1.33 0.00 0.00 177.39 177.51 2giq h SER 27 N 0.00 0.14 0.67 -1.43 0.02 -1.83 -2.93 113.55 108.19 2giq h SER 27 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2giq h SER 27 Cb 0.77 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.28 2giq h SER 27 CO 0.00 0.12 0.00 0.78 -1.14 0.00 0.00 176.83 176.59 2giq h ASN 28 N 0.14 0.00 0.40 3.07 2.35 -1.79 -0.88 115.58 118.88 2giq h ASN 28 Ca 0.04 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 2giq h ASN 28 Cb 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2giq h ASN 28 CO -0.01 0.00 -0.33 0.77 -1.65 0.00 0.00 177.43 176.21 2giq h SER 29 N 0.00 0.00 0.03 5.81 4.64 -1.81 -3.32 113.55 118.89 2giq h SER 29 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 2giq h SER 29 Cb 0.34 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.38 2giq h SER 29 CO 0.00 0.33 -2.00 -0.11 -0.87 0.00 0.00 176.83 174.18 2giq n LEU 30 N -4.01 2.26 -3.68 5.97 7.94 -0.46 -4.64 117.00 120.39 2giq n LEU 30 Ca -0.02 0.25 -0.10 0.00 -1.11 0.00 0.00 56.01 55.03 2giq n LEU 30 Cb 0.39 -0.95 -0.11 0.00 0.53 0.00 0.00 43.42 43.28 2giq n LEU 30 CO 0.37 0.61 0.03 -0.22 -1.11 0.00 0.00 177.39 177.07 2giq s LEU 31 N -7.34 -0.28 -0.09 -1.96 0.20 -0.47 -4.15 118.68 104.59 2giq s LEU 31 Ca -0.31 0.89 0.17 0.00 0.69 0.00 0.00 54.13 55.57 2giq s LEU 31 Cb 0.09 1.28 -0.26 0.00 -0.43 0.00 0.00 46.19 46.88 2giq s LEU 31 CO 0.61 -0.21 0.25 0.54 -0.29 0.00 0.00 176.35 177.25 2giq n ARG 32 N 4.71 0.84 -2.25 1.98 1.74 -0.15 -4.12 116.66 119.41 2giq n ARG 32 Ca -0.17 -0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 56.39 2giq n ARG 32 Cb 0.53 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 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 -2.38 3.16 0.09 -1.55 8.25 -0.82 -4.79 115.22 117.18 2giq n HIS 33 Ca -0.15 -2.85 0.05 0.00 -0.26 0.00 0.00 57.72 54.51 2giq n HIS 33 Cb 0.75 -2.08 0.48 0.00 1.12 0.00 0.00 29.99 30.27 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 5.88 0.34 0.00 4.41 3.86 -1.85 -2.48 115.15 125.31 2giq h HIS 34 Ca 0.42 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.64 2giq h HIS 34 Cb 0.64 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.00 2giq h HIS 34 CO 1.29 0.23 0.00 0.09 0.86 0.00 0.00 177.93 180.40 2giq n ASN 35 N -4.48 0.25 -0.07 2.45 4.13 -1.26 -2.34 115.26 113.94 2giq n ASN 35 Ca 0.01 0.57 0.12 0.00 1.68 0.00 0.00 54.58 56.96 2giq n ASN 35 Cb 0.09 -0.62 0.23 0.00 -1.54 0.00 0.00 39.78 37.94 2giq n ASN 35 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 2giq n MET 36 N -1.78 0.23 -4.04 3.52 2.81 -0.93 -4.83 117.12 112.10 2giq n MET 36 Ca 0.03 -0.14 -0.35 0.00 -1.81 0.00 0.00 57.70 55.42 2giq n MET 36 Cb 0.17 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.10 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 -2.87 4.87 0.13 2.03 1.01 -0.99 -0.07 120.40 124.51 2giq s VAL 37 Ca 0.14 -0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 2giq s VAL 37 Cb 0.18 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2giq s VAL 37 CO 0.68 0.52 0.27 -0.72 0.00 0.00 0.00 175.10 175.84 2giq s TYR 38 N -0.13 0.18 -0.03 5.22 1.13 -0.70 -4.00 117.35 119.03 2giq s TYR 38 Ca 0.07 -0.57 0.04 0.00 -1.41 0.00 0.00 57.07 55.20 2giq s TYR 38 Cb -0.12 0.00 -0.03 0.00 -1.10 0.00 0.00 41.96 40.72 2giq s TYR 38 CO 0.01 -0.65 -0.14 0.00 -2.51 0.00 0.00 175.55 172.27 2giq s ALA 39 N -3.89 2.70 0.59 9.51 0.00 -0.39 -1.17 121.76 129.11 2giq s ALA 39 Ca 0.09 -1.01 -0.17 0.00 0.00 0.00 0.00 51.96 50.87 2giq s ALA 39 Cb 0.04 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 2giq s ALA 39 CO -0.07 0.57 1.09 0.95 0.00 0.00 0.00 175.76 178.30 2giq s THR 40 N -0.79 3.46 0.24 0.00 -4.23 0.23 -4.49 115.64 110.06 2giq s THR 40 Ca 0.13 0.77 -0.06 0.00 -1.18 0.00 0.00 61.69 61.35 2giq s THR 40 Cb -0.11 -3.28 -0.02 0.00 1.34 0.00 0.00 72.50 70.43 2giq s THR 40 CO 0.02 -0.33 0.32 0.42 -0.54 0.00 0.00 174.62 174.51 2giq s THR 41 N -2.18 0.00 -0.18 3.99 -4.23 -1.26 -4.08 115.64 107.70 2giq s THR 41 Ca 0.67 -1.70 0.22 0.00 -1.18 0.00 0.00 61.69 59.70 2giq s THR 41 Cb -0.19 -2.39 0.22 0.00 1.34 0.00 0.00 72.50 71.48 2giq s THR 41 CO 0.33 0.00 1.66 -1.54 -0.54 0.00 0.00 174.62 174.54 2giq n SER 42 N -0.48 0.56 0.30 3.99 3.41 -1.26 -2.16 113.62 117.98 2giq n SER 42 Ca 0.01 0.76 0.18 0.00 -0.26 0.00 0.00 58.87 59.55 2giq n SER 42 Cb 0.64 -0.83 0.92 0.00 -0.26 0.00 0.00 64.21 64.68 2giq n SER 42 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2giq h ARG 43 N 0.00 0.00 -0.37 4.33 3.08 -1.96 -1.92 114.38 117.54 2giq h ARG 43 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2giq h ARG 43 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2giq h ARG 43 CO 0.00 0.04 0.00 -1.13 -1.07 0.00 0.00 179.97 177.81 2giq n SER 44 N -3.34 3.26 0.14 7.04 3.41 -0.92 -4.59 113.62 118.61 2giq n SER 44 Ca -0.02 -1.93 0.05 0.00 -0.26 0.00 0.00 58.87 56.71 2giq n SER 44 Cb 0.17 -0.24 0.49 0.00 -0.26 0.00 0.00 64.21 64.38 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 3.82 1.75 -0.77 7.33 0.00 -1.49 -2.12 119.26 127.78 2giq h ALA 45 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2giq h ALA 45 Cb 0.89 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2giq h ALA 45 CO 0.00 0.20 0.33 0.78 0.00 0.00 0.00 179.25 180.55 2giq h GLY 46 N 0.41 1.22 0.96 0.00 0.00 -1.81 0.07 103.07 103.92 2giq h GLY 46 Ca 0.06 -0.64 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 2giq h GLY 46 CO -0.00 0.61 0.13 -2.00 0.00 0.00 0.00 176.54 175.28 2giq h LEU 47 N 1.10 0.69 -0.77 3.11 5.85 -1.73 -2.20 115.31 121.37 2giq h LEU 47 Ca 0.26 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.77 2giq h LEU 47 Cb 0.18 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2giq h LEU 47 CO -0.02 0.73 0.50 -0.09 -0.34 0.00 0.00 178.44 179.22 2giq h ARG 48 N 0.62 0.99 -0.80 1.25 9.65 -1.19 -2.24 114.38 122.67 2giq h ARG 48 Ca 0.15 -0.06 0.05 0.00 -1.10 0.00 0.00 59.98 59.02 2giq h ARG 48 Cb 0.29 -0.22 -0.06 0.00 -1.39 0.00 0.00 29.97 28.60 2giq h ARG 48 CO -0.00 0.65 0.49 1.96 2.80 0.00 0.00 179.97 185.88 2giq h GLN 49 N 1.02 0.90 -0.52 0.20 4.20 -0.66 -1.70 115.11 118.55 2giq h GLN 49 Ca 0.29 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.88 2giq h GLN 49 Cb -0.09 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.47 2giq h GLN 49 CO -0.07 0.59 0.06 0.87 -0.67 0.00 0.00 178.83 179.61 2giq h LYS 50 N 0.92 0.84 -0.41 1.46 1.57 -1.01 -2.63 116.57 117.32 2giq h LYS 50 Ca 0.34 -0.20 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 2giq h LYS 50 Cb 0.11 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2giq h LYS 50 CO -0.15 0.80 -0.24 0.87 -0.57 0.00 0.00 179.45 180.16 2giq h LYS 51 N 0.79 0.83 -0.02 3.15 1.57 -0.78 -3.28 116.57 118.83 2giq h LYS 51 Ca 0.16 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2giq h LYS 51 Cb 0.39 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2giq h LYS 51 CO 0.01 0.99 -0.07 1.33 -0.57 0.00 0.00 179.45 181.14 2giq n VAL 52 N -4.10 0.00 -3.57 0.50 0.24 -0.71 -4.82 118.33 105.88 2giq n VAL 52 Ca -0.00 -0.37 -0.41 0.00 -2.04 0.00 0.00 64.34 61.52 2giq n VAL 52 Cb 0.45 1.07 -0.11 0.00 -1.47 0.00 0.00 33.84 33.79 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 -2.08 4.79 0.21 3.34 2.01 -1.00 -4.67 115.64 118.24 2giq s THR 53 Ca 0.30 -0.72 -0.23 0.00 0.31 0.00 0.00 61.69 61.35 2giq s THR 53 Cb 0.20 -3.64 0.04 0.00 0.01 0.00 0.00 72.50 69.12 2giq s THR 53 CO 0.35 -0.21 0.77 0.72 -0.69 0.00 0.00 174.62 175.57 2giq s PHE 54 N 1.60 -0.23 0.11 4.92 -0.12 -1.26 -4.96 117.98 118.04 2giq s PHE 54 Ca 0.03 -0.13 -0.27 0.00 -0.05 0.00 0.00 56.93 56.51 2giq s PHE 54 Cb -0.19 0.66 -0.06 0.00 -0.63 0.00 0.00 43.02 42.80 2giq s PHE 54 CO 0.08 -1.04 0.84 0.34 -0.05 0.00 0.00 175.22 175.38 2giq s ASP 55 N -2.88 7.37 -0.16 1.98 2.15 -1.26 -1.24 116.67 122.63 2giq s ASP 55 Ca 0.10 1.63 -0.02 0.00 0.43 0.00 0.00 52.55 54.68 2giq s ASP 55 Cb -0.04 -2.52 -0.02 0.00 -0.30 0.00 0.00 42.92 40.04 2giq s ASP 55 CO 0.02 0.05 -0.07 -0.13 -0.17 0.00 0.00 175.17 174.87 2giq s ARG 56 N -0.38 3.52 -0.00 4.34 3.00 -0.71 -4.97 118.95 123.74 2giq s ARG 56 Ca 0.40 -0.60 0.06 0.00 0.00 0.00 0.00 55.73 55.60 2giq s ARG 56 Cb -0.22 -2.83 -0.03 0.00 0.00 0.00 0.00 34.95 31.87 2giq s ARG 56 CO 0.26 0.15 -0.19 -0.51 0.00 0.00 0.00 175.30 175.02 2giq s LEU 57 N 0.57 2.53 -0.03 2.53 1.02 -1.26 -4.61 118.68 119.43 2giq s LEU 57 Ca -0.05 -0.35 -0.01 0.00 0.02 0.00 0.00 54.13 53.74 2giq s LEU 57 Cb -0.15 -1.49 0.03 0.00 0.02 0.00 0.00 46.19 44.60 2giq s LEU 57 CO 0.03 0.30 0.03 -1.58 0.02 0.00 0.00 176.35 175.15 2giq s GLN 58 N -1.00 0.13 -0.22 1.70 0.74 -1.26 -4.14 119.66 115.60 2giq s GLN 58 Ca 0.12 0.20 0.02 0.00 0.05 0.00 0.00 55.36 55.76 2giq s GLN 58 Cb -0.10 -0.48 0.04 0.00 1.10 0.00 0.00 33.01 33.56 2giq s GLN 58 CO 0.02 -0.22 -0.14 0.08 -0.55 0.00 0.00 175.29 174.47 2giq s VAL 59 N 1.49 2.07 -0.18 1.34 1.01 -0.29 -5.03 120.40 120.81 2giq s VAL 59 Ca -0.03 -1.30 -0.04 0.00 0.00 0.00 0.00 61.98 60.61 2giq s VAL 59 Cb -0.13 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 2giq s VAL 59 CO -0.03 0.22 -0.03 -0.76 0.00 0.00 0.00 175.10 174.49 2giq s LEU 60 N 1.21 3.12 0.00 3.92 1.43 -1.26 -4.38 118.68 122.72 2giq s LEU 60 Ca -0.03 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 2giq s LEU 60 Cb -0.17 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.29 2giq s LEU 60 CO -0.09 0.09 0.07 -0.90 0.23 0.00 0.00 176.35 175.76 2giq n ASP 61 N 4.04 2.04 0.08 2.29 5.75 -1.26 -5.00 116.55 124.49 2giq n ASP 61 Ca -0.17 -1.72 -0.02 0.00 -0.01 0.00 0.00 54.79 52.87 2giq n ASP 61 Cb 0.52 0.05 0.23 0.00 -1.03 0.00 0.00 41.12 40.90 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 0.33 0.29 -0.82 -1.12 3.32 -1.99 -2.52 116.42 113.91 2giq h ASP 62 Ca -0.13 -0.11 0.03 0.00 0.02 0.00 0.00 57.03 56.84 2giq h ASP 62 Cb 0.45 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.87 2giq h ASP 62 CO 0.22 0.64 0.52 0.45 -1.72 0.00 0.00 179.24 179.35 2giq h HIS 63 N 0.24 0.98 0.01 4.55 3.86 -1.96 -0.25 115.15 122.58 2giq h HIS 63 Ca 0.03 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2giq h HIS 63 Cb 0.76 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.90 2giq h HIS 63 CO 0.02 0.56 -0.00 -0.92 0.86 0.00 0.00 177.93 178.44 2giq h TYR 64 N 1.02 -0.01 -0.14 2.45 3.20 -1.78 -2.45 116.97 119.26 2giq h TYR 64 Ca 0.33 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.11 2giq h TYR 64 Cb 0.01 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 2giq h TYR 64 CO -0.03 0.12 -0.32 0.00 -1.64 0.00 0.00 178.16 176.29 2giq h ARG 65 N -0.14 0.27 -0.18 1.82 3.08 -1.23 -1.53 114.38 116.47 2giq h ARG 65 Ca -0.00 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 2giq h ARG 65 Cb 0.14 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2giq h ARG 65 CO 0.00 0.57 0.03 -0.44 -1.07 0.00 0.00 179.97 179.06 2giq h ASP 66 N 0.23 0.29 -0.61 7.04 3.32 -1.01 -0.55 116.42 125.13 2giq h ASP 66 Ca 0.03 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 2giq h ASP 66 Cb 0.69 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 2giq h ASP 66 CO 0.05 0.47 0.28 0.58 -1.72 0.00 0.00 179.24 178.90 2giq h VAL 67 N 0.10 1.22 -0.54 -1.35 2.07 -1.29 -2.31 116.25 114.15 2giq h VAL 67 Ca 0.06 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.93 2giq h VAL 67 Cb 0.30 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2giq h VAL 67 CO 0.00 0.26 0.35 0.25 0.02 0.00 0.00 177.57 178.46 2giq h LEU 68 N 0.84 0.62 -1.08 2.57 5.85 -1.13 -0.34 115.31 122.65 2giq h LEU 68 Ca 0.21 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.95 2giq h LEU 68 Cb 0.15 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 2giq h LEU 68 CO -0.02 0.46 0.62 0.50 -0.34 0.00 0.00 178.44 179.65 2giq h LYS 69 N 0.73 1.14 -0.43 1.25 3.64 -0.84 -0.08 116.57 121.99 2giq h LYS 69 Ca 0.20 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 2giq h LYS 69 Cb -0.08 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.47 2giq h LYS 69 CO -0.04 0.76 -0.06 0.93 -2.27 0.00 0.00 179.45 178.76 2giq h GLU 70 N 1.18 0.80 -0.59 1.90 5.08 -0.79 -1.23 114.58 120.92 2giq h GLU 70 Ca 0.38 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2giq h GLU 70 Cb 0.04 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2giq h GLU 70 CO -0.12 0.90 0.30 0.52 -1.00 0.00 0.00 179.01 179.61 2giq h MET 71 N 0.63 0.84 -0.49 2.33 2.86 -0.57 -2.39 114.93 118.14 2giq h MET 71 Ca 0.11 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 2giq h MET 71 Cb 0.58 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 2giq h MET 71 CO 0.03 0.67 0.01 0.87 1.06 0.00 0.00 176.91 179.55 2giq h LYS 72 N 0.80 0.81 -0.77 1.72 1.57 -0.87 -0.92 116.57 118.91 2giq h LYS 72 Ca 0.20 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2giq h LYS 72 Cb 0.09 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 2giq h LYS 72 CO -0.03 0.81 0.49 0.00 -0.57 0.00 0.00 179.45 180.15 2giq h ALA 73 N 1.25 1.01 -0.42 3.86 0.00 -0.91 -1.77 119.26 122.29 2giq h ALA 73 Ca 0.15 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 2giq h ALA 73 Cb 0.45 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2giq h ALA 73 CO 0.02 0.30 -0.31 0.87 0.00 0.00 0.00 179.25 180.13 2giq h LYS 74 N 0.96 0.95 -0.15 0.00 1.57 -1.09 -3.12 116.57 115.68 2giq h LYS 74 Ca 0.31 -0.46 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2giq h LYS 74 Cb 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2giq h LYS 74 CO -0.11 1.12 0.10 0.00 -0.57 0.00 0.00 179.45 179.99 2giq h ALA 75 N 0.81 1.88 0.00 3.86 0.00 -0.89 -2.24 119.26 122.67 2giq h ALA 75 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2giq h ALA 75 Cb 0.90 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2giq h ALA 75 CO 0.08 0.11 0.00 0.43 0.00 0.00 0.00 179.25 179.87 2giq n SER 76 N -4.51 0.00 0.04 0.00 7.64 -0.69 -1.57 113.62 114.54 2giq n SER 76 Ca -0.01 0.41 0.12 0.00 1.01 0.00 0.00 58.87 60.40 2giq n SER 76 Cb 0.08 -0.45 0.17 0.00 -1.01 0.00 0.00 64.21 63.01 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 -1.45 0.22 -2.73 0.44 -2.24 -0.84 -4.74 114.28 102.95 2giq n THR 77 Ca 0.03 -0.19 -0.41 0.00 -2.27 0.00 0.00 64.05 61.21 2giq n THR 77 Cb 0.11 0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.32 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 -3.13 4.61 -0.17 2.28 1.01 -0.61 -4.95 120.40 119.45 2giq s VAL 78 Ca 0.07 2.06 -0.02 0.00 0.00 0.00 0.00 61.98 64.09 2giq s VAL 78 Cb 0.15 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 2giq s VAL 78 CO 0.73 0.28 -0.09 -0.75 0.00 0.00 0.00 175.10 175.27 2giq s LYS 79 N 0.28 3.40 0.01 2.72 2.20 -1.26 -0.01 119.74 127.07 2giq s LYS 79 Ca 0.48 -0.65 0.05 0.00 -0.36 0.00 0.00 55.97 55.50 2giq s LYS 79 Cb -0.23 -2.82 -0.02 0.00 -1.51 0.00 0.00 37.83 33.25 2giq s LYS 79 CO 0.29 0.02 -0.17 0.00 -0.36 0.00 0.00 175.35 175.13 2giq s ALA 80 N 0.88 1.42 0.12 3.13 0.00 -0.79 -4.95 121.76 121.57 2giq s ALA 80 Ca -0.02 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.20 2giq s ALA 80 Cb -0.15 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2giq s ALA 80 CO 0.00 0.33 0.00 -1.59 0.00 0.00 0.00 175.76 174.51 2giq s LYS 81 N -0.67 2.50 0.26 0.00 -2.85 -1.26 -4.50 119.74 113.22 2giq s LYS 81 Ca 0.06 -0.93 -0.30 0.00 -1.00 0.00 0.00 55.97 53.80 2giq s LYS 81 Cb -0.07 -2.48 -0.09 0.00 -2.06 0.00 0.00 37.83 33.13 2giq s LYS 81 CO 0.00 0.51 1.14 -1.17 0.10 0.00 0.00 175.35 175.93 2giq s LEU 82 N -2.55 4.51 0.38 2.77 2.96 -1.26 -4.48 118.68 121.01 2giq s LEU 82 Ca 0.26 2.29 -0.19 0.00 -0.22 0.00 0.00 54.13 56.28 2giq s LEU 82 Cb -0.11 -3.62 -0.10 0.00 0.50 0.00 0.00 46.19 42.86 2giq s LEU 82 CO 0.18 -0.24 0.86 -0.76 -1.32 0.00 0.00 176.35 175.08 2giq s LEU 83 N -1.15 4.02 0.81 -0.68 1.02 -0.60 -5.06 118.68 117.05 2giq s LEU 83 Ca 0.47 1.53 -0.11 0.00 0.02 0.00 0.00 54.13 56.04 2giq s LEU 83 Cb -0.33 -4.30 0.08 0.00 0.02 0.00 0.00 46.19 41.66 2giq s LEU 83 CO 0.41 -0.27 1.09 -0.94 0.02 0.00 0.00 176.35 176.66 2giq s SER 84 N -2.16 4.30 0.23 2.29 1.04 -1.26 -4.71 113.70 113.43 2giq s SER 84 Ca 0.58 1.41 -0.08 0.00 0.48 0.00 0.00 55.95 58.34 2giq s SER 84 Cb -0.10 -2.14 0.23 0.00 0.10 0.00 0.00 66.02 64.11 2giq s SER 84 CO 0.16 -2.10 1.89 0.58 0.98 0.00 0.00 173.24 174.74 2giq h VAL 85 N -1.18 1.18 -0.46 5.02 2.07 -1.98 -1.52 116.25 119.38 2giq h VAL 85 Ca -0.47 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 2giq h VAL 85 Cb 1.27 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2giq h VAL 85 CO 0.57 0.20 0.26 -0.08 0.02 0.00 0.00 177.57 178.55 2giq h GLU 86 N 1.12 0.63 -0.18 1.57 4.81 -1.98 0.07 114.58 120.62 2giq h GLU 86 Ca 0.33 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2giq h GLU 86 Cb -0.06 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 2giq h GLU 86 CO -0.09 0.48 0.11 0.93 -0.73 0.00 0.00 179.01 179.71 2giq h GLU 87 N 0.61 0.24 -0.67 1.92 5.08 -1.82 -1.58 114.58 118.35 2giq h GLU 87 Ca 0.16 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2giq h GLU 87 Cb 0.02 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 2giq h GLU 87 CO -0.03 0.18 0.38 0.00 -1.00 0.00 0.00 179.01 178.55 2giq h ALA 88 N 1.04 0.85 -0.85 3.43 0.00 -1.11 -2.78 119.26 119.85 2giq h ALA 88 Ca 0.06 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2giq h ALA 88 Cb 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 2giq h ALA 88 CO -0.01 0.35 0.55 0.00 0.00 0.00 0.00 179.25 180.14 2giq n LYS 90 N -4.53 0.07 0.00 0.00 4.76 -0.62 -1.85 118.16 116.00 2giq n LYS 90 Ca 0.10 0.25 0.14 0.00 -2.87 0.00 0.00 58.31 55.92 2giq n LYS 90 Cb 0.05 -1.62 0.56 0.00 -1.84 0.00 0.00 35.03 32.18 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 -1.75 0.78 -4.72 -0.35 4.77 -0.96 -4.88 117.00 109.88 2giq n LEU 91 Ca 0.04 -0.16 -0.40 0.00 -0.03 0.00 0.00 56.01 55.45 2giq n LEU 91 Cb 0.24 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 2giq n LEU 91 CO 0.19 0.14 0.49 -0.89 -1.33 0.00 0.00 177.39 175.99 2giq s THR 92 N -2.35 4.98 0.32 -5.08 2.01 -0.77 -0.41 115.64 114.34 2giq s THR 92 Ca 0.31 1.64 -0.29 0.00 0.31 0.00 0.00 61.69 63.66 2giq s THR 92 Cb 0.20 -4.13 -0.11 0.00 0.01 0.00 0.00 72.50 68.47 2giq s THR 92 CO 0.45 0.23 1.58 -2.65 -0.69 0.00 0.00 174.62 173.54 2giq n PRO 93 N 3.76 2.73 0.02 4.92 -0.02 -1.26 -4.78 135.00 140.37 2giq n PRO 93 Ca 0.01 0.97 0.21 0.00 -2.02 0.00 0.00 63.50 62.67 2giq n PRO 93 Cb 0.51 -2.74 0.72 0.00 -0.02 0.00 0.00 33.50 31.97 2giq n PRO 93 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2giq h PRO 94 N 4.30 0.00 -0.42 0.52 0.11 -1.95 -1.69 132.00 132.86 2giq h PRO 94 Ca -0.48 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 2giq h PRO 94 Cb 1.23 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.26 2giq h PRO 94 CO 0.75 0.00 0.06 0.72 -0.21 0.00 0.00 178.00 179.32 2giq n HIS 95 N -4.17 1.40 -2.11 0.65 8.25 -1.26 -4.19 115.22 113.79 2giq n HIS 95 Ca 0.10 -1.25 -0.37 0.00 -0.26 0.00 0.00 57.72 55.94 2giq n HIS 95 Cb 0.63 -0.48 0.01 0.00 1.12 0.00 0.00 29.99 31.26 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 -1.95 5.82 0.20 0.41 0.15 -0.64 -4.91 113.70 112.79 2giq s SER 96 Ca 0.46 2.43 -0.32 0.00 0.70 0.00 0.00 55.95 59.22 2giq s SER 96 Cb 0.39 -2.61 -0.13 0.00 -1.71 0.00 0.00 66.02 61.96 2giq s SER 96 CO 0.07 -1.17 1.51 0.00 1.20 0.00 0.00 173.24 174.84 2giq n ALA 97 N -0.78 1.35 -0.98 5.45 0.00 -1.26 -4.22 120.51 120.07 2giq n ALA 97 Ca 0.09 0.43 -0.31 0.00 0.00 0.00 0.00 53.44 53.64 2giq n ALA 97 Cb 0.48 -2.33 0.13 0.00 0.00 0.00 0.00 19.45 17.73 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 0.25 1.65 0.51 0.00 -2.85 -1.26 -4.56 119.74 113.47 2giq s LYS 98 Ca 0.73 1.37 -0.19 0.00 -1.00 0.00 0.00 55.97 56.89 2giq s LYS 98 Cb -0.65 -1.81 -0.07 0.00 -2.06 0.00 0.00 37.83 33.23 2giq s LYS 98 CO 0.44 -2.13 1.02 0.45 0.10 0.00 0.00 175.35 175.23 2giq s SER 99 N -3.01 6.31 0.00 0.03 0.15 -0.37 -4.63 113.70 112.18 2giq s SER 99 Ca 0.64 1.81 0.17 0.00 0.70 0.00 0.00 55.95 59.28 2giq s SER 99 Cb -0.20 -2.54 0.75 0.00 -1.71 0.00 0.00 66.02 62.32 2giq s SER 99 CO 0.57 -0.80 1.56 0.29 1.20 0.00 0.00 173.24 176.05 2giq n LYS 100 N -1.30 0.01 -0.84 5.44 5.02 -1.26 -3.73 118.16 121.50 2giq n LYS 100 Ca 0.08 0.20 -0.04 0.00 -2.02 0.00 0.00 58.31 56.53 2giq n LYS 100 Cb 0.53 -1.50 0.24 0.00 -0.02 0.00 0.00 35.03 34.28 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 -1.49 1.73 -0.75 2.13 3.72 -1.26 -4.94 117.46 116.60 2giq n PHE 101 Ca 0.04 -1.34 0.00 0.00 -0.05 0.00 0.00 57.45 56.10 2giq n PHE 101 Cb 0.20 -0.57 0.00 0.00 -0.94 0.00 0.00 39.48 38.17 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 -0.69 1.35 3.40 1.37 0.00 -1.24 -5.07 105.19 104.31 2giq n GLY 102 Ca 0.36 -0.34 -0.12 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 -0.47 0.32 1.61 -0.85 -1.26 -4.98 117.35 109.72 2giq s TYR 103 Ca 0.00 0.29 0.00 0.00 -0.52 0.00 0.00 57.07 56.84 2giq s TYR 103 Cb 0.00 0.47 -0.00 0.00 0.38 0.00 0.00 41.96 42.81 2giq s TYR 103 CO 0.00 -0.79 0.00 0.41 -1.52 0.00 0.00 175.55 173.66 2giq n GLY 104 N -0.21 3.79 0.30 5.49 0.00 -1.26 -1.24 105.19 112.06 2giq n GLY 104 Ca -0.17 -2.30 0.02 0.00 0.00 0.00 0.00 46.02 43.56 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 1.17 1.54 -0.00 4.61 0.00 -1.83 -1.47 119.26 123.28 2giq h ALA 105 Ca -0.27 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 2giq h ALA 105 Cb 0.81 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2giq h ALA 105 CO 0.44 0.38 -0.74 0.87 0.00 0.00 0.00 179.25 180.20 2giq h LYS 106 N 0.63 0.01 -0.58 0.00 1.57 -1.88 -0.13 116.57 116.18 2giq h LYS 106 Ca 0.16 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 2giq h LYS 106 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2giq h LYS 106 CO -0.02 0.74 0.02 -0.44 -0.57 0.00 0.00 179.45 179.18 2giq h ASP 107 N 0.00 0.99 0.34 0.86 3.32 -1.81 -1.37 116.42 118.76 2giq h ASP 107 Ca -0.01 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 2giq h ASP 107 Cb 1.31 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.59 2giq h ASP 107 CO 0.10 1.04 -0.16 0.58 -1.72 0.00 0.00 179.24 179.08 2giq h VAL 108 N 0.91 0.67 -0.06 -1.35 2.07 -1.05 -0.95 116.25 116.49 2giq h VAL 108 Ca 0.17 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 2giq h VAL 108 Cb 0.52 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2giq h VAL 108 CO 0.03 0.01 0.00 0.03 0.02 0.00 0.00 177.57 177.66 2giq h ARG 109 N -0.48 0.08 -0.01 1.57 3.08 -0.93 -1.04 114.38 116.64 2giq h ARG 109 Ca -0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2giq h ARG 109 Cb 0.37 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2giq h ARG 109 CO 0.08 0.09 -0.06 0.09 -1.07 0.00 0.00 179.97 179.10 2giq n ASN 110 N -4.49 1.14 -3.51 7.04 3.02 -0.52 -4.81 115.26 113.13 2giq n ASN 110 Ca -0.02 -1.24 -0.20 0.00 -0.03 0.00 0.00 54.58 53.09 2giq n ASN 110 Cb 0.12 0.02 0.08 0.00 -0.61 0.00 0.00 39.78 39.39 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 -0.22 -3.76 -4.76 3.41 4.77 -0.39 -4.96 117.00 111.08 2giq n LEU 111 Ca 0.18 -0.60 -0.37 0.00 -0.03 0.00 0.00 56.01 55.19 2giq n LEU 111 Cb 0.32 -3.08 0.01 0.00 -2.33 0.00 0.00 43.42 38.34 2giq n LEU 111 CO 0.19 0.49 0.87 -0.94 -1.33 0.00 0.00 177.39 176.67 2giq s SER 112 N -3.95 5.85 0.23 -1.43 1.04 -0.40 -4.80 113.70 110.23 2giq s SER 112 Ca 0.23 2.44 -0.07 0.00 0.48 0.00 0.00 55.95 59.03 2giq s SER 112 Cb -0.10 -2.61 0.30 0.00 0.10 0.00 0.00 66.02 63.71 2giq s SER 112 CO 0.73 -1.15 1.83 0.77 0.98 0.00 0.00 173.24 176.41 2giq h SER 113 N 1.80 0.71 -0.10 7.02 4.64 -1.93 0.59 113.55 126.29 2giq h SER 113 Ca -0.50 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 60.86 2giq h SER 113 Cb 1.27 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 2giq h SER 113 CO 0.59 0.45 0.01 0.50 -0.87 0.00 0.00 176.83 177.51 2giq h LYS 114 N 0.85 0.05 -0.05 4.77 3.64 -1.96 0.18 116.57 124.05 2giq h LYS 114 Ca 0.35 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2giq h LYS 114 Cb 0.20 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2giq h LYS 114 CO -0.18 0.03 0.01 0.00 -2.27 0.00 0.00 179.45 177.04 2giq h ALA 115 N 1.08 0.06 -0.61 5.00 0.00 -1.70 -1.72 119.26 121.38 2giq h ALA 115 Ca 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2giq h ALA 115 Cb 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2giq h ALA 115 CO -0.07 -0.31 0.27 0.28 0.00 0.00 0.00 179.25 179.42 2giq h VAL 116 N -0.15 1.22 -0.63 0.00 2.07 -0.80 -0.39 116.25 117.57 2giq h VAL 116 Ca 0.01 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 2giq h VAL 116 Cb 0.24 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2giq h VAL 116 CO 0.00 0.26 0.38 0.78 0.02 0.00 0.00 177.57 179.01 2giq h ASN 117 N 0.84 0.77 -0.50 0.57 2.35 -0.61 -1.32 115.58 117.67 2giq h ASN 117 Ca 0.21 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 2giq h ASN 117 Cb 0.16 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2giq h ASN 117 CO -0.02 0.61 0.15 -0.74 -1.65 0.00 0.00 177.43 175.78 2giq h HIS 118 N 0.86 0.82 -0.58 1.19 2.76 -1.00 -1.98 115.15 117.22 2giq h HIS 118 Ca 0.23 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2giq h HIS 118 Cb -0.02 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 28.68 2giq h HIS 118 CO -0.02 0.71 0.37 0.82 -1.30 0.00 0.00 177.93 178.52 2giq h ILE 119 N 0.69 1.16 -0.88 6.26 2.04 -0.87 -0.08 117.51 125.83 2giq h ILE 119 Ca 0.16 -0.32 0.08 0.00 1.00 0.00 0.00 64.86 65.78 2giq h ILE 119 Cb 0.28 0.33 -0.07 0.00 -0.74 0.00 0.00 36.82 36.62 2giq h ILE 119 CO -0.00 0.16 0.54 0.45 0.00 0.00 0.00 178.15 179.30 2giq h HIS 120 N 0.79 1.00 -0.54 1.37 3.86 -1.15 -0.49 115.15 120.00 2giq h HIS 120 Ca 0.21 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.35 2giq h HIS 120 Cb -0.06 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.07 2giq h HIS 120 CO -0.03 0.47 -0.06 0.66 0.86 0.00 0.00 177.93 179.83 2giq h SER 121 N 0.96 0.98 -0.38 2.45 4.64 -0.50 -1.06 113.55 120.64 2giq h SER 121 Ca 0.40 -0.33 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 2giq h SER 121 Cb 0.25 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 2giq h SER 121 CO -0.20 1.08 0.21 0.58 -0.87 0.00 0.00 176.83 177.64 2giq h VAL 122 N 0.86 1.14 -0.13 0.95 2.07 -0.68 -1.57 116.25 118.89 2giq h VAL 122 Ca 0.14 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.32 2giq h VAL 122 Cb 0.62 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2giq h VAL 122 CO 0.04 0.14 0.04 -0.25 0.02 0.00 0.00 177.57 177.57 2giq h TRP 123 N 0.49 0.08 -0.86 1.57 2.91 -0.90 -0.96 115.95 118.28 2giq h TRP 123 Ca 0.13 0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.19 2giq h TRP 123 Cb 0.04 -0.01 -0.05 0.00 -0.51 0.00 0.00 29.16 28.63 2giq h TRP 123 CO -0.03 0.04 0.56 -0.22 -1.03 0.00 0.00 178.44 177.76 2giq h LYS 124 N 0.11 1.04 -0.70 2.65 3.64 -1.07 -1.68 116.57 120.56 2giq h LYS 124 Ca 0.06 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2giq h LYS 124 Cb 0.03 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 2giq h LYS 124 CO -0.06 0.69 0.14 0.22 -2.27 0.00 0.00 179.45 178.17 2giq h ASP 125 N 1.07 1.08 -0.86 4.20 3.58 -0.75 -1.54 116.42 123.20 2giq h ASP 125 Ca 0.34 -0.24 0.01 0.00 0.42 0.00 0.00 57.03 57.55 2giq h ASP 125 Cb 0.02 -0.29 -0.04 0.00 1.72 0.00 0.00 39.33 40.74 2giq h ASP 125 CO -0.10 1.05 0.57 -0.07 -2.88 0.00 0.00 179.24 177.81 2giq h LEU 126 N 1.06 0.99 -0.51 2.28 3.38 -0.31 -0.49 115.31 121.72 2giq h LEU 126 Ca 0.21 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 58.00 2giq h LEU 126 Cb 0.41 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2giq h LEU 126 CO 0.01 0.72 -0.51 -0.07 0.09 0.00 0.00 178.44 178.68 2giq h LEU 127 N 1.17 0.69 0.00 1.67 3.38 -1.02 -3.31 115.31 117.89 2giq h LEU 127 Ca 0.32 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 2giq h LEU 127 Cb -0.13 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 2giq h LEU 127 CO -0.07 1.08 -1.09 -0.33 0.09 0.00 0.00 178.44 178.12 2giq h GLU 128 N 0.49 0.00 -4.08 1.13 4.39 -1.01 -3.45 114.58 112.04 2giq h GLU 128 Ca 0.02 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.22 2giq h GLU 128 Cb 1.06 0.00 -0.37 0.00 -0.10 0.00 0.00 28.75 29.34 2giq h GLU 128 CO 0.10 0.30 -0.79 0.34 -1.16 0.00 0.00 179.01 177.79 2giq s ASP 129 N -5.91 2.01 -0.16 1.42 -1.08 -0.22 -5.01 116.67 107.73 2giq s ASP 129 Ca -0.01 -0.24 0.17 0.00 -0.52 0.00 0.00 52.55 51.95 2giq s ASP 129 Cb 0.08 -0.73 0.36 0.00 -1.46 0.00 0.00 42.92 41.18 2giq s ASP 129 CO 0.79 -0.14 1.23 0.35 0.52 0.00 0.00 175.17 177.91 2giq n THR 130 N 4.99 2.04 0.00 1.71 -2.24 -1.26 -4.51 114.28 115.01 2giq n THR 130 Ca -0.11 -2.35 0.00 0.00 -2.27 0.00 0.00 64.05 59.32 2giq n THR 130 Cb 0.50 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2giq n THR 130 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2giq n VAL 131 N -1.21 0.00 -2.00 2.28 0.31 -1.26 -4.62 118.33 111.83 2giq n VAL 131 Ca 0.18 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.09 2giq n VAL 131 Cb 0.71 -0.96 -0.03 0.00 -0.91 0.00 0.00 33.84 32.66 2giq n VAL 131 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2giq s THR 132 N -1.92 3.56 0.32 2.52 2.01 -1.26 -4.67 115.64 116.19 2giq s THR 132 Ca 0.00 0.68 -0.29 0.00 0.31 0.00 0.00 61.69 62.40 2giq s THR 132 Cb 0.00 -3.44 -0.12 0.00 0.01 0.00 0.00 72.50 68.95 2giq s THR 132 CO 0.00 -0.06 1.34 -2.65 -0.69 0.00 0.00 174.62 172.56 2giq n PRO 133 N 7.10 2.17 -3.32 4.92 -0.02 -1.26 -4.71 135.00 139.87 2giq n PRO 133 Ca 0.17 0.76 -0.38 0.00 -2.02 0.00 0.00 63.50 62.03 2giq n PRO 133 Cb 0.43 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 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 -0.82 5.06 0.47 4.25 1.01 -0.09 -4.94 121.20 126.14 2giq s ILE 134 Ca 0.58 1.02 -0.23 0.00 0.00 0.00 0.00 60.65 62.02 2giq s ILE 134 Cb -0.58 -3.83 -0.07 0.00 0.01 0.00 0.00 42.46 38.00 2giq s ILE 134 CO 0.59 0.42 1.26 -0.62 0.00 0.00 0.00 174.94 176.59 2giq s ASP 135 N -0.04 5.91 0.10 3.58 2.15 -1.26 -4.35 116.67 122.77 2giq s ASP 135 Ca 0.27 2.55 0.04 0.00 0.43 0.00 0.00 52.55 55.84 2giq s ASP 135 Cb -0.16 -2.62 -0.04 0.00 -0.30 0.00 0.00 42.92 39.80 2giq s ASP 135 CO 0.13 -1.11 -0.11 0.42 -0.17 0.00 0.00 175.17 174.33 2giq s THR 136 N -1.39 1.02 -0.12 1.71 -4.23 -1.11 -4.36 115.64 107.15 2giq s THR 136 Ca 0.64 -1.66 -0.09 0.00 -1.18 0.00 0.00 61.69 59.40 2giq s THR 136 Cb -0.35 -1.40 -0.04 0.00 1.34 0.00 0.00 72.50 72.04 2giq s THR 136 CO 0.43 -0.53 0.20 -0.89 -0.54 0.00 0.00 174.62 173.28 2giq s THR 137 N -2.40 5.40 -0.13 3.99 2.01 -0.03 -0.87 115.64 123.61 2giq s THR 137 Ca 0.06 0.34 -0.01 0.00 0.31 0.00 0.00 61.69 62.39 2giq s THR 137 Cb -0.03 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 68.98 2giq s THR 137 CO 0.01 0.56 -0.11 -0.51 -0.69 0.00 0.00 174.62 173.88 2giq s ILE 138 N -0.65 3.24 0.12 1.82 2.07 -0.51 -1.65 121.20 125.65 2giq s ILE 138 Ca 0.15 -0.60 0.03 0.00 -1.41 0.00 0.00 60.65 58.83 2giq s ILE 138 Cb -0.13 -2.37 -0.04 0.00 0.13 0.00 0.00 42.46 40.05 2giq s ILE 138 CO 0.04 0.52 -0.09 -0.04 -1.91 0.00 0.00 174.94 173.47 2giq s MET 139 N 0.30 0.93 -0.15 3.50 -1.94 -0.28 -4.37 119.30 117.29 2giq s MET 139 Ca -0.09 -1.34 -0.17 0.00 -1.71 0.00 0.00 55.69 52.38 2giq s MET 139 Cb -0.15 -0.45 -0.04 0.00 2.01 0.00 0.00 34.83 36.20 2giq s MET 139 CO 0.05 0.04 0.44 0.00 -0.01 0.00 0.00 175.02 175.55 2giq s ALA 140 N -3.21 3.52 0.41 3.03 0.00 -1.26 -1.12 121.76 123.12 2giq s ALA 140 Ca 0.12 -0.32 -0.24 0.00 0.00 0.00 0.00 51.96 51.52 2giq s ALA 140 Cb 0.02 -2.63 -0.08 0.00 0.00 0.00 0.00 23.12 20.43 2giq s ALA 140 CO -0.01 -0.10 1.12 0.15 0.00 0.00 0.00 175.76 176.91 2giq s LYS 141 N 0.87 4.03 -0.50 0.00 1.02 0.57 -4.74 119.74 121.00 2giq s LYS 141 Ca 0.23 1.70 -0.11 0.00 0.02 0.00 0.00 55.97 57.81 2giq s LYS 141 Cb -0.15 -2.57 0.13 0.00 -0.52 0.00 0.00 37.83 34.72 2giq s LYS 141 CO 0.09 -0.30 0.39 -0.80 -0.92 0.00 0.00 175.35 173.81 2giq s ASN 142 N -1.35 5.83 0.16 2.83 0.02 -1.26 -4.28 114.94 116.89 2giq s ASN 142 Ca 0.59 -1.92 0.10 0.00 -1.02 0.00 0.00 52.86 50.61 2giq s ASN 142 Cb -0.27 -2.06 -0.04 0.00 0.02 0.00 0.00 41.25 38.90 2giq s ASN 142 CO 0.33 -0.73 -0.23 -1.61 0.02 0.00 0.00 177.10 174.89 2giq s GLU 143 N 1.37 1.36 -0.16 -0.60 2.02 -1.26 -4.87 118.70 116.56 2giq s GLU 143 Ca 0.06 -1.39 -0.08 0.00 0.02 0.00 0.00 54.97 53.58 2giq s GLU 143 Cb -0.27 -1.65 -0.04 0.00 0.10 0.00 0.00 34.13 32.27 2giq s GLU 143 CO -0.00 0.36 0.10 0.08 0.02 0.00 0.00 175.26 175.83 2giq s VAL 144 N -1.54 5.18 0.22 2.63 1.01 -1.26 -0.60 120.40 126.05 2giq s VAL 144 Ca 0.15 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.23 2giq s VAL 144 Cb -0.08 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2giq s VAL 144 CO 0.07 0.52 0.12 -0.36 0.00 0.00 0.00 175.10 175.45 2giq s PHE 145 N -0.21 1.30 -0.06 5.22 0.08 -0.32 -4.73 117.98 119.26 2giq s PHE 145 Ca 0.10 -1.31 -0.11 0.00 0.12 0.00 0.00 56.93 55.73 2giq s PHE 145 Cb -0.12 -0.68 -0.05 0.00 -0.57 0.00 0.00 43.02 41.60 2giq s PHE 145 CO 0.01 -0.54 0.27 0.00 -0.10 0.00 0.00 175.22 174.86 2giq n VAL 147 N 1.86 4.55 -3.55 0.00 0.24 0.90 -4.99 118.33 117.34 2giq n VAL 147 Ca -0.17 -0.50 -0.23 0.00 -2.04 0.00 0.00 64.34 61.40 2giq n VAL 147 Cb 0.54 -1.48 0.05 0.00 -1.47 0.00 0.00 33.84 31.48 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 -1.59 -2.77 -3.70 7.34 -0.06 -1.26 -5.06 117.38 110.29 2giq n GLN 148 Ca 0.14 0.64 -0.37 0.00 -2.00 0.00 0.00 57.00 55.41 2giq n GLN 148 Cb 0.47 -4.99 -0.07 0.00 -4.06 0.00 0.00 30.24 21.60 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 -5.50 3.84 0.22 3.69 0.52 -1.26 -5.23 118.95 115.23 2giq s ARG 154 Ca 0.32 0.02 -0.30 0.00 -0.52 0.00 0.00 55.73 55.25 2giq s ARG 154 Cb -0.08 -3.29 -0.08 0.00 0.52 0.00 0.00 34.95 32.02 2giq s ARG 154 CO 0.81 0.56 1.05 0.15 0.02 0.00 0.00 175.30 177.89 2giq s LYS 155 N -0.48 4.68 0.69 3.54 1.02 -1.26 -5.04 119.74 122.88 2giq s LYS 155 Ca 0.16 1.67 -0.13 0.00 0.02 0.00 0.00 55.97 57.69 2giq s LYS 155 Cb -0.13 -3.26 0.02 0.00 -0.52 0.00 0.00 37.83 33.94 2giq s LYS 155 CO 0.05 0.23 1.09 -1.25 -0.92 0.00 0.00 175.35 174.55 2giq s PRO 156 N -0.85 2.70 0.55 -1.68 0.04 -1.26 -4.83 135.00 129.67 2giq s PRO 156 Ca 0.46 1.23 -0.22 0.00 0.04 0.00 0.00 61.00 62.52 2giq s PRO 156 Cb -0.29 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 2giq s PRO 156 CO 0.36 -1.30 1.36 0.00 0.04 0.00 0.00 177.00 177.46 2giq s ALA 157 N -2.64 2.80 0.50 8.56 0.00 -1.26 -4.94 121.76 124.78 2giq s ALA 157 Ca 0.63 1.35 -0.12 0.00 0.00 0.00 0.00 51.96 53.82 2giq s ALA 157 Cb -0.18 -3.57 -0.06 0.00 0.00 0.00 0.00 23.12 19.31 2giq s ALA 157 CO 0.48 -1.41 0.90 1.03 0.00 0.00 0.00 175.76 176.76 2giq s ARG 158 N -2.93 3.77 -0.12 0.00 0.52 -1.26 -4.69 118.95 114.24 2giq s ARG 158 Ca 0.72 0.65 -0.06 0.00 -0.52 0.00 0.00 55.73 56.52 2giq s ARG 158 Cb -0.41 -2.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.78 2giq s ARG 158 CO 0.48 -0.25 0.10 -0.51 0.02 0.00 0.00 175.30 175.14 2giq s LEU 159 N -4.31 4.12 -0.09 2.53 1.02 -1.26 -0.32 118.68 120.37 2giq s LEU 159 Ca 0.54 0.33 0.02 0.00 0.02 0.00 0.00 54.13 55.04 2giq s LEU 159 Cb -0.10 -2.00 -0.02 0.00 0.02 0.00 0.00 46.19 44.09 2giq s LEU 159 CO 0.38 0.36 -0.14 -0.51 0.02 0.00 0.00 176.35 176.46 2giq s ILE 160 N -0.75 3.04 -0.11 -0.59 1.10 -0.28 -4.84 121.20 118.77 2giq s ILE 160 Ca 0.13 -0.70 0.00 0.00 -0.51 0.00 0.00 60.65 59.57 2giq s ILE 160 Cb -0.12 -2.23 0.02 0.00 0.15 0.00 0.00 42.46 40.28 2giq s ILE 160 CO 0.03 0.56 -0.11 -0.69 -2.11 0.00 0.00 174.94 172.62 2giq s VAL 161 N -0.19 1.24 -0.05 4.00 1.01 -1.26 -1.12 120.40 124.03 2giq s VAL 161 Ca 0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 2giq s VAL 161 Cb -0.13 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.07 2giq s VAL 161 CO 0.03 0.40 0.21 0.72 0.00 0.00 0.00 175.10 176.46 2giq s PHE 162 N 1.38 -0.15 0.88 5.22 -0.71 -0.66 -0.81 117.98 123.13 2giq s PHE 162 Ca 0.00 0.33 -0.12 0.00 -1.04 0.00 0.00 56.93 56.11 2giq s PHE 162 Cb -0.13 0.05 0.16 0.00 -1.21 0.00 0.00 43.02 41.88 2giq s PHE 162 CO -0.06 -0.21 1.22 -1.25 -1.34 0.00 0.00 175.22 173.58 2giq s PRO 163 N -0.53 1.10 0.67 1.99 0.04 -1.26 -0.85 135.00 136.16 2giq s PRO 163 Ca -0.06 -0.49 -0.16 0.00 0.04 0.00 0.00 61.00 60.33 2giq s PRO 163 Cb -0.04 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.53 2giq s PRO 163 CO 0.01 -2.05 1.16 0.34 0.04 0.00 0.00 177.00 176.50 2giq s ASP 164 N -4.80 4.79 0.28 6.66 2.15 -1.26 -4.75 116.67 119.74 2giq s ASP 164 Ca 0.70 2.20 0.01 0.00 0.43 0.00 0.00 52.55 55.89 2giq s ASP 164 Cb -0.05 -2.57 0.67 0.00 -0.30 0.00 0.00 42.92 40.66 2giq s ASP 164 CO 0.50 -1.85 1.65 0.25 -0.17 0.00 0.00 175.17 175.55 2giq h LEU 165 N 0.09 -0.00 -0.60 -1.34 5.85 -1.82 -1.05 115.31 116.44 2giq h LEU 165 Ca -0.48 0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.51 2giq h LEU 165 Cb 1.27 0.26 -0.06 0.00 0.37 0.00 0.00 40.66 42.50 2giq h LEU 165 CO 0.53 -0.14 0.26 1.23 -0.34 0.00 0.00 178.44 179.98 2giq h GLY 166 N 0.22 0.85 1.03 3.75 0.00 -1.95 -1.80 103.07 105.17 2giq h GLY 166 Ca 0.53 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.65 2giq h GLY 166 CO -0.63 0.04 0.20 -2.08 0.00 0.00 0.00 176.54 174.06 2giq h VAL 167 N 0.48 1.25 -0.93 4.60 2.07 -1.58 -2.64 116.25 119.50 2giq h VAL 167 Ca 0.29 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.96 2giq h VAL 167 Cb 0.30 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 2giq h VAL 167 CO -0.25 0.34 0.62 0.03 0.02 0.00 0.00 177.57 178.32 2giq h ARG 168 N 0.95 1.19 -0.55 1.57 3.08 -0.53 0.96 114.38 121.05 2giq h ARG 168 Ca 0.21 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.09 2giq h ARG 168 Cb 0.31 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2giq h ARG 168 CO -0.01 0.79 -0.04 0.28 -1.07 0.00 0.00 179.97 179.92 2giq h VAL 169 N 1.22 1.27 -0.44 2.04 2.07 -1.25 -2.73 116.25 118.42 2giq h VAL 169 Ca 0.35 -1.18 -0.07 0.00 0.82 0.00 0.00 66.70 66.62 2giq h VAL 169 Cb -0.08 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2giq h VAL 169 CO -0.09 0.42 -0.01 0.00 0.02 0.00 0.00 177.57 177.91 2giq h GLU 171 N 0.68 0.88 -0.21 0.00 5.08 -0.66 -1.73 114.58 118.61 2giq h GLU 171 Ca 0.13 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2giq h GLU 171 Cb 0.44 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2giq h GLU 171 CO 0.02 0.58 0.11 0.87 -1.00 0.00 0.00 179.01 179.59 2giq h LYS 172 N 0.91 0.31 -0.66 2.33 1.57 -1.14 0.29 116.57 120.17 2giq h LYS 172 Ca 0.33 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.15 2giq h LYS 172 Cb 0.10 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.28 2giq h LYS 172 CO -0.14 0.31 0.31 0.52 -0.57 0.00 0.00 179.45 179.88 2giq h MET 173 N 0.22 0.52 0.08 3.15 2.86 -1.03 -1.17 114.93 119.56 2giq h MET 173 Ca 0.07 -0.03 -0.27 0.00 -2.06 0.00 0.00 59.70 57.41 2giq h MET 173 Cb 0.10 -0.12 0.02 0.00 0.06 0.00 0.00 31.60 31.66 2giq h MET 173 CO -0.01 0.35 -1.14 0.00 1.06 0.00 0.00 176.91 177.17 2giq h ALA 174 N 1.41 0.14 0.00 6.32 0.00 -1.12 -1.60 119.26 124.41 2giq h ALA 174 Ca 0.33 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2giq h ALA 174 Cb 0.35 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2giq h ALA 174 CO -0.27 0.78 0.00 1.28 0.00 0.00 0.00 179.25 181.04 2giq n LEU 175 N -3.73 0.16 -0.06 0.00 4.77 0.07 -4.77 117.00 113.44 2giq n LEU 175 Ca -0.10 -0.37 -0.09 0.00 -0.03 0.00 0.00 56.01 55.42 2giq n LEU 175 Cb 0.94 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.01 2giq n LEU 175 CO 0.55 0.04 0.93 0.22 -1.33 0.00 0.00 177.39 177.80 2giq h TYR 176 N 0.00 0.20 -0.48 -1.77 3.20 -1.32 0.29 116.97 117.10 2giq h TYR 176 Ca 0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2giq h TYR 176 Cb 0.06 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 2giq h TYR 176 CO 0.00 0.10 0.26 0.22 -1.64 0.00 0.00 178.16 177.10 2giq h ASP 177 N 0.24 0.60 0.21 -2.11 3.58 -1.80 -1.88 116.42 115.26 2giq h ASP 177 Ca 0.11 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2giq h ASP 177 Cb 0.05 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 2giq h ASP 177 CO -0.09 0.53 -0.18 0.58 -2.88 0.00 0.00 179.24 177.20 2giq h VAL 178 N 0.63 0.61 0.00 2.25 2.07 -1.74 -1.98 116.25 118.10 2giq h VAL 178 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 2giq h VAL 178 Cb 0.07 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 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 0.78 0.08 2.57 0.24 0.05 -0.60 118.33 116.16 2giq n VAL 179 Ca -0.08 0.14 0.08 0.00 -2.04 0.00 0.00 64.34 62.43 2giq n VAL 179 Cb 0.22 -1.03 -0.02 0.00 -1.47 0.00 0.00 33.84 31.53 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 -1.10 -3.43 113.55 107.70 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 0.42 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2giq h SER 180 CO 0.00 0.20 -1.27 0.41 -1.14 0.00 0.00 176.83 175.02 2giq n THR 181 N -2.76 0.28 -0.15 -2.27 -1.04 -0.77 -4.70 114.28 102.86 2giq n THR 181 Ca -0.03 -0.10 -0.09 0.00 -2.04 0.00 0.00 64.05 61.79 2giq n THR 181 Cb 0.65 -0.80 -0.00 0.00 -1.82 0.00 0.00 70.33 68.36 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 -0.03 0.62 -0.41 -4.42 6.46 -1.06 -3.17 115.31 113.30 2giq h LEU 182 Ca -0.11 -0.19 0.08 0.00 -0.12 0.00 0.00 57.88 57.53 2giq h LEU 182 Cb 1.16 -0.16 -0.07 0.00 -0.73 0.00 0.00 40.66 40.86 2giq h LEU 182 CO -0.03 0.65 -0.02 -0.65 -0.62 0.00 0.00 178.44 177.78 2giq h PRO 183 N 0.56 0.09 -0.07 5.25 0.11 -1.83 -0.41 132.00 135.70 2giq h PRO 183 Ca 0.14 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.17 2giq h PRO 183 Cb 0.24 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 2giq h PRO 183 CO -0.01 0.06 -0.31 0.37 -0.21 0.00 0.00 178.00 177.90 2giq h GLN 184 N 0.09 0.13 -0.26 1.05 -0.00 -1.87 0.07 115.11 114.32 2giq h GLN 184 Ca 0.20 -0.04 -0.06 0.00 -0.00 0.00 0.00 58.65 58.75 2giq h GLN 184 Cb 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.76 2giq h GLN 184 CO -0.35 0.43 -0.08 0.28 0.00 0.00 0.00 178.83 179.10 2giq h VAL 185 N 0.11 1.29 -0.28 2.39 2.07 -1.35 0.30 116.25 120.78 2giq h VAL 185 Ca 0.02 -1.12 -0.16 0.00 0.82 0.00 0.00 66.70 66.26 2giq h VAL 185 Cb 0.61 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2giq h VAL 185 CO 0.04 0.35 -0.43 0.58 0.02 0.00 0.00 177.57 178.13 2giq h VAL 186 N 0.26 1.29 -0.00 2.57 2.07 -0.86 -3.36 116.25 118.21 2giq h VAL 186 Ca 0.06 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.96 2giq h VAL 186 Cb 0.57 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2giq h VAL 186 CO 0.03 0.52 -0.47 0.23 0.02 0.00 0.00 177.57 177.90 2giq n MET 187 N -4.13 2.48 0.00 1.57 2.81 -0.01 -4.92 117.12 114.92 2giq n MET 187 Ca -0.04 -0.28 0.00 0.00 -1.81 0.00 0.00 57.70 55.57 2giq n MET 187 Cb 0.56 -1.13 0.00 0.00 -0.71 0.00 0.00 33.22 31.94 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 1.19 3.20 0.17 3.03 0.00 0.11 -1.65 105.19 111.24 2giq n GLY 188 Ca 0.04 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.01 2giq n GLY 188 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2giq h SER 189 N 3.00 0.00 1.18 1.61 4.64 -1.96 -2.32 113.55 119.70 2giq h SER 189 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2giq h SER 189 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2giq h SER 189 CO 0.00 0.00 0.00 0.28 -0.87 0.00 0.00 176.83 176.24 2giq h SER 190 N 0.00 0.00 -3.10 4.97 0.02 -1.49 -3.44 113.55 110.51 2giq h SER 190 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 2giq h SER 190 Cb 0.19 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.69 2giq h SER 190 CO 0.00 0.00 1.05 -0.47 -1.14 0.00 0.00 176.83 176.27 2giq s TYR 191 N -3.36 2.42 0.28 3.45 5.04 -0.87 -0.93 117.35 123.38 2giq s TYR 191 Ca 0.05 0.72 0.07 0.00 -2.44 0.00 0.00 57.07 55.47 2giq s TYR 191 Cb 0.09 -4.08 0.39 0.00 0.35 0.00 0.00 41.96 38.71 2giq s TYR 191 CO 0.52 -2.11 1.65 0.78 -1.34 0.00 0.00 175.55 175.06 2giq h GLY 192 N 11.67 0.22 1.44 8.97 0.00 -0.96 -3.24 103.07 121.17 2giq h GLY 192 Ca -0.28 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.81 2giq h GLY 192 CO 1.05 0.21 0.00 0.69 0.00 0.00 0.00 176.54 178.49 2giq n PHE 193 N -3.96 0.00 1.43 5.60 3.72 -1.26 -2.44 117.46 120.55 2giq n PHE 193 Ca -0.02 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.53 2giq n PHE 193 Cb 0.53 -0.22 0.76 0.00 -0.94 0.00 0.00 39.48 39.62 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 -1.22 0.43 -4.45 -1.08 10.64 -1.22 -3.46 117.38 117.02 2giq n GLN 194 Ca 0.14 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.97 2giq n GLN 194 Cb 0.18 -1.50 -0.11 0.00 -0.86 0.00 0.00 30.24 27.94 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 -2.57 3.04 0.97 2.61 2.02 -1.02 -4.69 117.35 117.70 2giq s TYR 195 Ca 0.29 -0.10 -0.12 0.00 -0.37 0.00 0.00 57.07 56.77 2giq s TYR 195 Cb 0.20 -1.86 0.17 0.00 -0.40 0.00 0.00 41.96 40.07 2giq s TYR 195 CO 0.46 0.17 1.09 -1.54 -1.57 0.00 0.00 175.55 174.16 2giq s SER 196 N -0.21 2.76 0.24 2.29 1.04 -1.26 -4.75 113.70 113.81 2giq s SER 196 Ca 0.04 1.60 -0.05 0.00 0.48 0.00 0.00 55.95 58.02 2giq s SER 196 Cb -0.13 -2.26 0.44 0.00 0.10 0.00 0.00 66.02 64.17 2giq s SER 196 CO 0.02 -3.10 1.71 -0.65 0.98 0.00 0.00 173.24 172.20 2giq h PRO 197 N -1.87 0.33 -0.37 4.02 0.11 -1.89 0.42 132.00 132.75 2giq h PRO 197 Ca -0.51 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 2giq h PRO 197 Cb 1.29 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2giq h PRO 197 CO 0.51 0.22 -0.20 0.78 -0.21 0.00 0.00 178.00 179.11 2giq h GLY 198 N 0.34 0.77 1.15 -0.55 0.00 -1.93 -1.80 103.07 101.05 2giq h GLY 198 Ca 0.40 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 47.01 2giq h GLY 198 CO -0.45 0.57 -0.03 1.46 0.00 0.00 0.00 176.54 178.09 2giq h GLN 199 N 0.63 1.01 -0.64 4.80 4.20 -1.77 -1.89 115.11 121.44 2giq h GLN 199 Ca 0.09 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 2giq h GLN 199 Cb 0.68 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 2giq h GLN 199 CO 0.05 1.01 0.36 -0.09 -0.67 0.00 0.00 178.83 179.48 2giq h ARG 200 N 0.92 0.89 -0.44 1.46 2.43 -0.62 -0.93 114.38 118.08 2giq h ARG 200 Ca 0.16 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2giq h ARG 200 Cb 0.57 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 2giq h ARG 200 CO 0.03 0.66 0.27 0.28 -1.51 0.00 0.00 179.97 179.71 2giq h VAL 201 N 0.87 1.13 -0.27 0.20 2.07 -1.19 -1.31 116.25 117.75 2giq h VAL 201 Ca 0.23 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2giq h VAL 201 Cb 0.03 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2giq h VAL 201 CO -0.04 0.13 0.17 -0.08 0.02 0.00 0.00 177.57 177.78 2giq h GLU 202 N 0.59 0.36 -0.39 1.57 4.81 -0.99 0.18 114.58 120.71 2giq h GLU 202 Ca 0.16 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 2giq h GLU 202 Cb -0.02 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 2giq h GLU 202 CO -0.03 0.26 0.22 0.35 -0.73 0.00 0.00 179.01 179.08 2giq h PHE 203 N 0.36 0.42 -0.42 0.92 3.57 -1.04 0.92 116.94 121.67 2giq h PHE 203 Ca 0.10 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 2giq h PHE 203 Cb -0.02 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 2giq h PHE 203 CO -0.05 0.24 0.09 -0.07 -2.23 0.00 0.00 178.31 176.28 2giq h LEU 204 N 0.46 0.64 -0.13 0.59 3.38 -0.71 0.31 115.31 119.85 2giq h LEU 204 Ca 0.16 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2giq h LEU 204 Cb 0.02 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2giq h LEU 204 CO -0.08 0.72 0.02 0.58 0.09 0.00 0.00 178.44 179.77 2giq h VAL 205 N 0.54 1.23 -0.19 1.22 2.07 -0.52 -1.24 116.25 119.35 2giq h VAL 205 Ca 0.13 -0.72 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 2giq h VAL 205 Cb 0.34 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2giq h VAL 205 CO 0.00 0.21 -0.25 0.78 0.02 0.00 0.00 177.57 178.34 2giq h ASN 206 N -0.02 0.35 -0.17 0.57 2.35 -0.75 -0.58 115.58 117.34 2giq h ASN 206 Ca 0.04 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 2giq h ASN 206 Cb 0.31 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 2giq h ASN 206 CO 0.00 0.60 -0.06 0.74 -1.65 0.00 0.00 177.43 177.07 2giq h THR 207 N 0.32 1.30 -0.63 2.81 2.02 -0.89 -1.20 112.91 116.64 2giq h THR 207 Ca 0.05 -1.06 0.09 0.00 0.77 0.00 0.00 66.41 66.26 2giq h THR 207 Cb 0.61 1.66 -0.07 0.00 -1.74 0.00 0.00 68.15 68.61 2giq h THR 207 CO 0.04 0.31 0.26 -0.25 0.37 0.00 0.00 175.52 176.26 2giq h TRP 208 N 0.02 0.46 0.00 3.16 2.91 -0.99 -2.03 115.95 119.49 2giq h TRP 208 Ca 0.04 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.07 2giq h TRP 208 Cb 0.51 -0.11 -0.00 0.00 -0.51 0.00 0.00 29.16 29.05 2giq h TRP 208 CO 0.06 0.14 -0.10 0.87 -1.03 0.00 0.00 178.44 178.38 2giq h LYS 209 N 0.46 0.00 0.00 2.65 1.57 -1.01 -2.98 116.57 117.26 2giq h LYS 209 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2giq h LYS 209 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2giq h LYS 209 CO -0.29 0.10 0.00 0.66 -0.57 0.00 0.00 179.45 179.35 2giq h SER 210 N 0.00 0.00 -3.04 0.86 4.64 -0.44 -3.44 113.55 112.13 2giq h SER 210 Ca -0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 2giq h SER 210 Cb 0.69 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.73 2giq h SER 210 CO 0.01 0.00 -0.30 -0.54 -0.87 0.00 0.00 176.83 175.13 2giq s LYS 211 N -3.48 3.69 0.04 4.77 -0.14 -1.13 -5.02 119.74 118.47 2giq s LYS 211 Ca 0.02 0.08 -0.25 0.00 -1.36 0.00 0.00 55.97 54.46 2giq s LYS 211 Cb 0.09 -3.02 -0.17 0.00 -1.68 0.00 0.00 37.83 33.05 2giq s LYS 211 CO 0.43 0.59 1.52 0.87 -0.76 0.00 0.00 175.35 178.00 2giq h LYS 212 N 3.77 -0.04 -2.93 1.68 1.57 -1.88 -3.38 116.57 115.36 2giq h LYS 212 Ca -0.49 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.68 2giq h LYS 212 Cb 1.19 0.01 -0.40 0.00 0.08 0.00 0.00 32.23 33.11 2giq h LYS 212 CO 0.67 0.18 -0.74 -0.80 -0.57 0.00 0.00 179.45 178.18 2giq s ASN 213 N -5.37 3.54 0.39 0.86 0.01 -1.26 -5.08 114.94 108.04 2giq s ASN 213 Ca -0.14 -2.86 -0.25 0.00 -0.71 0.00 0.00 52.86 48.90 2giq s ASN 213 Cb 0.04 -1.05 -0.09 0.00 0.41 0.00 0.00 41.25 40.56 2giq s ASN 213 CO 0.66 -0.23 1.18 -2.16 -1.51 0.00 0.00 177.10 175.04 2giq s PRO 214 N 0.06 4.08 0.02 -0.60 0.04 -1.26 0.28 135.00 137.62 2giq s PRO 214 Ca 0.21 1.86 0.02 0.00 0.04 0.00 0.00 61.00 63.13 2giq s PRO 214 Cb -0.18 -2.71 -0.01 0.00 0.04 0.00 0.00 34.50 31.64 2giq s PRO 214 CO -0.05 -0.30 -0.08 1.41 0.04 0.00 0.00 177.00 178.03 2giq s MET 215 N -2.26 0.54 0.04 4.56 1.75 -0.51 -4.69 119.30 118.74 2giq s MET 215 Ca 0.56 -0.51 -0.04 0.00 -1.25 0.00 0.00 55.69 54.45 2giq s MET 215 Cb -0.31 -0.44 -0.02 0.00 2.84 0.00 0.00 34.83 36.90 2giq s MET 215 CO 0.39 0.10 0.06 0.20 -0.65 0.00 0.00 175.02 175.13 2giq s GLY 216 N -0.88 0.24 0.02 2.11 0.00 -0.54 -0.41 107.32 107.87 2giq s GLY 216 Ca -0.03 -0.72 -0.17 0.00 0.00 0.00 0.00 44.72 43.80 2giq s GLY 216 CO 0.00 -0.84 0.39 -0.11 0.00 0.00 0.00 173.10 172.53 2giq s PHE 217 N -2.89 -0.24 0.09 1.90 -0.71 -0.25 -0.36 117.98 115.51 2giq s PHE 217 Ca -0.03 0.26 -0.02 0.00 -1.04 0.00 0.00 56.93 56.10 2giq s PHE 217 Cb 0.00 0.18 -0.05 0.00 -1.21 0.00 0.00 43.02 41.95 2giq s PHE 217 CO -0.06 -0.52 0.27 -1.54 -1.34 0.00 0.00 175.22 172.03 2giq s SER 218 N -1.78 6.41 -0.15 1.98 1.04 -1.26 -1.35 113.70 118.58 2giq s SER 218 Ca -0.08 0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.74 2giq s SER 218 Cb -0.02 -2.01 0.02 0.00 0.10 0.00 0.00 66.02 64.12 2giq s SER 218 CO 0.00 0.13 -0.15 -0.47 0.98 0.00 0.00 173.24 173.74 2giq s TYR 219 N -1.55 2.21 -0.36 5.02 5.04 -0.74 -4.49 117.35 122.47 2giq s TYR 219 Ca 0.37 -1.24 -0.12 0.00 -2.44 0.00 0.00 57.07 53.64 2giq s TYR 219 Cb -0.13 -1.61 0.01 0.00 0.35 0.00 0.00 41.96 40.58 2giq s TYR 219 CO 0.26 -0.68 0.21 0.34 -1.34 0.00 0.00 175.55 174.35 2giq s ASP 220 N 1.47 5.79 0.01 4.32 2.15 -1.26 -3.95 116.67 125.19 2giq s ASP 220 Ca 0.05 -0.82 -0.24 0.00 0.43 0.00 0.00 52.55 51.96 2giq s ASP 220 Cb -0.13 -2.05 -0.05 0.00 -0.30 0.00 0.00 42.92 40.39 2giq s ASP 220 CO -0.11 -0.34 0.73 -0.89 -0.17 0.00 0.00 175.17 174.40 2giq s THR 221 N 1.60 4.83 -0.20 1.71 2.01 -1.26 0.24 115.64 124.58 2giq s THR 221 Ca 0.03 1.55 -0.29 0.00 0.31 0.00 0.00 61.69 63.29 2giq s THR 221 Cb -0.18 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.23 2giq s THR 221 CO 0.07 0.34 1.41 -0.60 -0.69 0.00 0.00 174.62 175.15 2giq s ARG 222 N 0.15 4.05 -1.01 4.92 3.52 -0.34 -3.96 118.95 126.27 2giq s ARG 222 Ca 0.38 1.63 -0.13 0.00 -0.13 0.00 0.00 55.73 57.47 2giq s ARG 222 Cb -0.20 -3.89 -0.01 0.00 -1.56 0.00 0.00 34.95 29.30 2giq s ARG 222 CO 0.21 -0.97 0.75 0.00 -0.81 0.00 0.00 175.30 174.49 2giq h PHE 224 N -1.19 0.10 -0.97 0.00 3.04 -1.97 -1.66 116.94 114.29 2giq h PHE 224 Ca -0.54 0.03 0.11 0.00 3.98 0.00 0.00 57.97 61.55 2giq h PHE 224 Cb 1.30 0.02 -0.08 0.00 2.56 0.00 0.00 35.95 39.76 2giq h PHE 224 CO 0.29 -0.02 0.62 -0.44 -2.02 0.00 0.00 178.31 176.74 2giq h ASP 225 N 0.19 0.88 1.22 0.41 3.32 -1.92 0.15 116.42 120.68 2giq h ASP 225 Ca 0.22 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2giq h ASP 225 Cb 0.29 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2giq h ASP 225 CO -0.31 0.48 0.00 -1.20 -1.72 0.00 0.00 179.24 176.50 2giq n SER 226 N -4.58 0.53 0.09 6.45 7.64 -0.64 -2.27 113.62 120.83 2giq n SER 226 Ca 0.18 0.56 0.12 0.00 1.01 0.00 0.00 58.87 60.74 2giq n SER 226 Cb 0.35 -0.70 0.26 0.00 -1.01 0.00 0.00 64.21 63.11 2giq n SER 226 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2giq h THR 227 N 0.00 0.00 -2.88 0.44 1.35 -0.75 -3.45 112.91 107.63 2giq h THR 227 Ca 0.00 -0.53 -0.55 0.00 -0.55 0.00 0.00 66.41 64.78 2giq h THR 227 Cb 0.61 1.30 -0.02 0.00 -1.73 0.00 0.00 68.15 68.31 2giq h THR 227 CO 0.00 0.00 0.89 -0.69 -0.25 0.00 0.00 175.52 175.47 2giq s VAL 228 N -3.15 3.99 0.50 6.82 1.01 -1.08 -4.81 120.40 123.68 2giq s VAL 228 Ca 0.08 1.26 0.04 0.00 0.00 0.00 0.00 61.98 63.36 2giq s VAL 228 Cb 0.12 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.72 2giq s VAL 228 CO 0.67 -0.07 0.70 0.42 0.00 0.00 0.00 175.10 176.82 2giq s THR 229 N 3.12 2.78 0.23 3.92 -4.23 -1.26 -4.03 115.64 116.17 2giq s THR 229 Ca 0.61 -0.80 -0.06 0.00 -1.18 0.00 0.00 61.69 60.26 2giq s THR 229 Cb -0.27 -2.98 0.19 0.00 1.34 0.00 0.00 72.50 70.78 2giq s THR 229 CO 0.22 0.00 1.79 -0.08 -0.54 0.00 0.00 174.62 176.01 2giq h GLU 230 N 0.29 0.65 -0.39 3.99 4.81 -1.88 -1.62 114.58 120.43 2giq h GLU 230 Ca -0.41 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 58.86 2giq h GLU 230 Cb 1.29 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 30.45 2giq h GLU 230 CO 0.49 0.43 -0.10 -0.97 -0.73 0.00 0.00 179.01 178.13 2giq h ASN 231 N 0.67 -0.37 -0.67 1.04 -1.24 -1.97 -0.77 115.58 112.27 2giq h ASN 231 Ca 0.37 0.12 0.01 0.00 0.71 0.00 0.00 56.30 57.50 2giq h ASN 231 Cb 0.36 0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.63 2giq h ASN 231 CO -0.26 -0.13 0.44 0.44 -1.29 0.00 0.00 177.43 176.63 2giq h ASP 232 N -0.01 0.77 0.16 1.15 3.32 -1.70 0.02 116.42 120.13 2giq h ASP 232 Ca 0.19 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.06 2giq h ASP 232 Cb 0.29 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2giq h ASP 232 CO -0.40 0.55 -0.61 0.40 -1.72 0.00 0.00 179.24 177.46 2giq h ILE 233 N 0.90 1.35 -0.29 0.35 2.04 -0.91 -0.72 117.51 120.24 2giq h ILE 233 Ca 0.25 -1.92 -0.14 0.00 1.00 0.00 0.00 64.86 64.04 2giq h ILE 233 Cb -0.10 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2giq h ILE 233 CO -0.06 0.59 -0.40 0.03 0.00 0.00 0.00 178.15 178.31 2giq h ARG 234 N 0.33 0.69 -0.33 2.37 3.08 -0.77 -2.06 114.38 117.68 2giq h ARG 234 Ca -0.01 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.67 2giq h ARG 234 Cb 1.15 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 2giq h ARG 234 CO 0.11 0.96 0.14 0.28 -1.07 0.00 0.00 179.97 180.39 2giq h VAL 235 N 0.56 1.18 -0.43 2.04 2.07 -0.77 -0.22 116.25 120.69 2giq h VAL 235 Ca 0.05 -0.54 0.09 0.00 0.82 0.00 0.00 66.70 67.12 2giq h VAL 235 Cb 0.93 0.91 -0.09 0.00 -1.52 0.00 0.00 31.29 31.53 2giq h VAL 235 CO 0.08 0.19 -0.14 -0.33 0.02 0.00 0.00 177.57 177.40 2giq h GLU 236 N 0.40 -0.04 -0.78 1.57 5.08 -1.07 -1.50 114.58 118.23 2giq h GLU 236 Ca 0.11 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 2giq h GLU 236 Cb 0.17 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 2giq h GLU 236 CO -0.01 -0.03 0.48 1.49 -1.00 0.00 0.00 179.01 179.94 2giq h GLU 237 N -0.04 0.87 -0.22 2.33 4.81 -0.96 -1.17 114.58 120.20 2giq h GLU 237 Ca 0.21 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 2giq h GLU 237 Cb 0.36 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2giq h GLU 237 CO -0.47 0.58 0.15 0.66 -0.73 0.00 0.00 179.01 179.20 2giq h SER 238 N 0.90 0.20 -0.13 1.04 4.64 -0.08 -0.44 113.55 119.68 2giq h SER 238 Ca 0.33 -0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.51 2giq h SER 238 Cb 0.11 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2giq h SER 238 CO -0.15 0.14 -0.43 0.40 -0.87 0.00 0.00 176.83 175.92 2giq h ILE 239 N 0.24 1.36 -0.89 0.95 2.04 -0.39 -2.89 117.51 117.93 2giq h ILE 239 Ca 0.09 -1.73 0.06 0.00 1.00 0.00 0.00 64.86 64.27 2giq h ILE 239 Cb 0.06 2.09 -0.06 0.00 -0.74 0.00 0.00 36.82 38.17 2giq h ILE 239 CO -0.02 0.52 0.56 1.88 0.00 0.00 0.00 178.15 181.10 2giq h TYR 240 N 0.14 1.05 0.00 1.37 0.05 -0.48 -2.05 116.97 117.05 2giq h TYR 240 Ca -0.02 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2giq h TYR 240 Cb 1.06 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 38.46 2giq h TYR 240 CO 0.11 0.55 0.00 1.04 -1.05 0.00 0.00 178.16 178.81 2giq n GLN 241 N -4.58 0.13 0.27 4.88 1.13 -0.25 -1.94 117.38 117.02 2giq n GLN 241 Ca 0.13 0.30 0.15 0.00 -1.94 0.00 0.00 57.00 55.63 2giq n GLN 241 Cb 0.16 -1.72 0.70 0.00 0.11 0.00 0.00 30.24 29.49 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 -2.90 6.18 0.14 0.00 2.15 0.99 -4.99 116.67 118.25 2giq s ASP 244 Ca 0.65 -0.51 0.10 0.00 0.43 0.00 0.00 52.55 53.22 2giq s ASP 244 Cb -0.21 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 39.84 2giq s ASP 244 CO 0.54 -1.73 -0.23 -0.76 -0.17 0.00 0.00 175.17 172.82 2giq s LEU 245 N 5.35 2.36 0.45 -1.34 1.43 -1.26 -1.89 118.68 123.77 2giq s LEU 245 Ca 0.33 -0.77 -0.25 0.00 -1.03 0.00 0.00 54.13 52.41 2giq s LEU 245 Cb -0.10 -1.03 -0.08 0.00 0.03 0.00 0.00 46.19 45.01 2giq s LEU 245 CO 0.15 0.09 1.33 0.00 0.23 0.00 0.00 176.35 178.15 2giq s ALA 246 N -1.38 3.15 0.33 4.21 0.00 -1.26 -4.85 121.76 121.96 2giq s ALA 246 Ca 0.13 1.28 0.10 0.00 0.00 0.00 0.00 51.96 53.47 2giq s ALA 246 Cb -0.09 -3.52 0.88 0.00 0.00 0.00 0.00 23.12 20.40 2giq s ALA 246 CO 0.06 -1.00 1.75 -1.35 0.00 0.00 0.00 175.76 175.23 2giq h PRO 247 N 2.32 0.58 -0.98 0.00 0.11 -2.00 0.28 132.00 132.31 2giq h PRO 247 Ca -0.50 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.58 2giq h PRO 247 Cb 1.26 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 2giq h PRO 247 CO 0.61 0.39 0.65 1.49 -0.21 0.00 0.00 178.00 180.93 2giq h GLU 248 N 0.60 1.29 -0.27 1.05 4.81 -2.00 -1.79 114.58 118.27 2giq h GLU 248 Ca 0.61 -0.08 -0.16 0.00 -0.13 0.00 0.00 59.36 59.61 2giq h GLU 248 Cb 1.17 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 2giq h GLU 248 CO -0.41 0.85 -0.46 0.00 -0.73 0.00 0.00 179.01 178.26 2giq h ALA 249 N 1.36 0.68 -0.67 2.92 0.00 -1.34 -1.97 119.26 120.25 2giq h ALA 249 Ca 0.36 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2giq h ALA 249 Cb -0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 2giq h ALA 249 CO -0.08 0.67 0.42 0.00 0.00 0.00 0.00 179.25 180.26 2giq h ARG 250 N 0.56 0.81 -0.22 0.00 3.08 -0.91 -1.37 114.38 116.32 2giq h ARG 250 Ca 0.03 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 2giq h ARG 250 Cb 1.01 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 2giq h ARG 250 CO 0.10 0.54 -0.03 0.37 -1.07 0.00 0.00 179.97 179.88 2giq h GLN 251 N 0.84 0.41 -0.80 0.04 5.75 -1.21 -1.16 115.11 118.97 2giq h GLN 251 Ca 0.26 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.62 2giq h GLN 251 Cb -0.01 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.47 2giq h GLN 251 CO -0.09 0.62 0.48 0.00 -2.65 0.00 0.00 178.83 177.19 2giq h ALA 252 N 0.77 1.34 -0.38 3.38 0.00 -1.19 -0.35 119.26 122.84 2giq h ALA 252 Ca 0.06 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2giq h ALA 252 Cb 0.45 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2giq h ALA 252 CO 0.02 0.57 -0.35 0.82 0.00 0.00 0.00 179.25 180.30 2giq h ILE 253 N 1.11 1.27 -0.14 0.00 2.04 -1.13 0.84 117.51 121.50 2giq h ILE 253 Ca 0.29 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.63 2giq h ILE 253 Cb -0.05 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2giq h ILE 253 CO -0.05 0.51 0.09 0.50 0.00 0.00 0.00 178.15 179.19 2giq h LYS 254 N 0.73 0.17 -0.16 2.37 3.64 -0.94 -1.33 116.57 121.05 2giq h LYS 254 Ca 0.06 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2giq h LYS 254 Cb 0.94 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 2giq h LYS 254 CO 0.09 0.12 0.08 1.03 -2.27 0.00 0.00 179.45 178.49 2giq h SER 255 N 0.18 0.22 -0.70 4.20 0.87 -0.92 -0.31 113.55 117.09 2giq h SER 255 Ca 0.05 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 2giq h SER 255 Cb -0.02 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 2giq h SER 255 CO -0.02 0.29 0.39 -0.07 -0.53 0.00 0.00 176.83 176.90 2giq h LEU 256 N 0.13 0.88 -0.11 2.23 3.38 -0.82 -0.11 115.31 120.89 2giq h LEU 256 Ca 0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2giq h LEU 256 Cb 0.13 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2giq h LEU 256 CO -0.01 0.71 0.01 0.74 0.09 0.00 0.00 178.44 179.98 2giq h THR 257 N 0.99 1.23 -0.40 0.22 2.02 -0.84 0.69 112.91 116.82 2giq h THR 257 Ca 0.25 -0.72 -0.11 0.00 0.77 0.00 0.00 66.41 66.61 2giq h THR 257 Cb 0.02 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 2giq h THR 257 CO -0.04 0.21 -0.18 -0.33 0.37 0.00 0.00 175.52 175.55 2giq h GLU 258 N -0.07 0.76 0.00 6.66 4.39 -0.76 -1.68 114.58 123.89 2giq h GLU 258 Ca 0.03 -0.28 -0.23 0.00 0.34 0.00 0.00 59.36 59.22 2giq h GLU 258 Cb 0.31 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 2giq h GLU 258 CO 0.00 0.89 -2.17 0.54 -1.16 0.00 0.00 179.01 177.12 2giq n ARG 259 N -4.13 0.67 0.03 2.33 1.74 -0.08 -4.69 116.66 112.54 2giq n ARG 259 Ca 0.01 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 2giq n ARG 259 Cb 0.40 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 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 -2.60 0.48 -0.15 0.55 7.94 0.05 -0.91 117.00 122.35 2giq n LEU 260 Ca -0.21 0.10 -0.12 0.00 -1.11 0.00 0.00 56.01 54.67 2giq n LEU 260 Cb 0.93 -0.12 -0.01 0.00 0.53 0.00 0.00 43.42 44.76 2giq n LEU 260 CO 0.44 -0.44 0.64 1.88 -1.11 0.00 0.00 177.39 178.81 2giq h TYR 261 N 0.00 1.14 -0.13 1.96 0.05 -0.97 -3.06 116.97 115.96 2giq h TYR 261 Ca 0.00 -0.29 -0.08 0.00 0.05 0.00 0.00 58.73 58.41 2giq h TYR 261 Cb 0.41 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 2giq h TYR 261 CO 0.00 1.12 -0.28 0.82 -1.05 0.00 0.00 178.16 178.76 2giq h ILE 262 N 0.83 1.25 0.00 -2.88 2.04 -1.55 -3.42 117.51 113.79 2giq h ILE 262 Ca 0.10 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.75 2giq h ILE 262 Cb 0.83 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 2giq h ILE 262 CO 0.07 0.37 0.00 0.61 0.00 0.00 0.00 178.15 179.20 2giq n GLY 263 N -0.48 -0.85 0.00 5.37 0.00 -1.16 -4.08 105.19 103.99 2giq n GLY 263 Ca -0.01 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.87 0.11 3.79 -0.02 0.00 -0.77 -4.19 105.19 103.23 2giq n GLY 264 Ca 0.00 -1.15 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 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 3.56 -0.18 1.61 0.04 -1.26 -1.28 135.00 135.50 2giq s PRO 265 Ca 0.00 1.48 -0.04 0.00 0.04 0.00 0.00 61.00 62.48 2giq s PRO 265 Cb 0.00 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2giq s PRO 265 CO 0.00 -0.65 -0.04 -0.51 0.04 0.00 0.00 177.00 175.84 2giq s LEU 266 N -3.68 3.11 -0.10 -3.56 1.43 0.27 -2.77 118.68 113.40 2giq s LEU 266 Ca 0.70 -0.22 0.04 0.00 -1.03 0.00 0.00 54.13 53.61 2giq s LEU 266 Cb -0.20 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.26 2giq s LEU 266 CO 0.24 0.11 -0.22 -0.89 0.23 0.00 0.00 176.35 175.81 2giq s THR 267 N 0.74 1.93 1.00 5.49 2.01 -0.04 -0.46 115.64 126.30 2giq s THR 267 Ca -0.02 -0.95 -0.16 0.00 0.31 0.00 0.00 61.69 60.87 2giq s THR 267 Cb -0.15 -1.68 0.21 0.00 0.01 0.00 0.00 72.50 70.89 2giq s THR 267 CO 0.02 0.53 1.27 0.54 -0.69 0.00 0.00 174.62 176.29 2giq s ASN 268 N 0.40 2.77 0.46 3.53 2.20 -0.25 -1.42 114.94 122.63 2giq s ASN 268 Ca -0.18 0.39 0.31 0.00 -0.94 0.00 0.00 52.86 52.44 2giq s ASN 268 Cb -0.18 -0.51 1.54 0.00 -2.00 0.00 0.00 41.25 40.10 2giq s ASN 268 CO 0.08 -2.96 1.95 0.77 -2.94 0.00 0.00 177.10 174.00 2giq h SER 269 N -1.79 0.00 -0.20 3.54 4.64 -1.76 -1.49 113.55 116.49 2giq h SER 269 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2giq h SER 269 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2giq h SER 269 CO 0.40 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.65 2giq n LYS 270 N -2.67 1.98 -0.72 4.77 5.02 -1.26 -4.95 118.16 120.33 2giq n LYS 270 Ca -0.01 -1.47 0.00 0.00 -2.02 0.00 0.00 58.31 54.82 2giq n LYS 270 Cb 0.15 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 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 1.25 0.72 3.82 0.72 0.00 -0.56 -5.05 105.19 106.09 2giq n GLY 271 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.28 4.18 -0.18 1.61 -0.21 -1.26 -4.82 119.66 118.70 2giq s GLN 272 Ca 0.00 0.75 -0.29 0.00 0.02 0.00 0.00 55.36 55.84 2giq s GLN 272 Cb 0.00 -2.95 -0.03 0.00 1.00 0.00 0.00 33.01 31.03 2giq s GLN 272 CO 0.00 0.46 1.55 1.21 -2.12 0.00 0.00 175.29 176.38 2giq s ASN 273 N -1.59 6.55 0.05 5.90 3.04 -1.26 -1.09 114.94 126.54 2giq s ASN 273 Ca 0.39 1.74 0.20 0.00 0.04 0.00 0.00 52.86 55.23 2giq s ASN 273 Cb -0.17 -2.53 -0.16 0.00 -1.54 0.00 0.00 41.25 36.85 2giq s ASN 273 CO 0.20 -1.09 0.71 0.00 -3.04 0.00 0.00 177.10 173.88 2giq n GLY 275 N 1.35 0.04 3.01 0.00 0.00 -1.21 -0.58 105.19 107.79 2giq n GLY 275 Ca -0.09 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.18 -0.11 1.61 5.04 -0.38 -0.56 117.35 118.77 2giq s TYR 276 Ca 0.00 0.45 -0.04 0.00 -2.44 0.00 0.00 57.07 55.03 2giq s TYR 276 Cb 0.00 0.03 -0.04 0.00 0.35 0.00 0.00 41.96 42.30 2giq s TYR 276 CO 0.00 -0.11 0.06 0.50 -1.34 0.00 0.00 175.55 174.66 2giq s ARG 277 N 0.38 3.27 -0.08 4.97 3.52 -0.40 -1.57 118.95 129.04 2giq s ARG 277 Ca -0.02 -0.29 0.18 0.00 -0.13 0.00 0.00 55.73 55.46 2giq s ARG 277 Cb -0.04 -2.99 0.38 0.00 -1.56 0.00 0.00 34.95 30.74 2giq s ARG 277 CO -0.02 0.68 1.17 0.54 -0.81 0.00 0.00 175.30 176.87 2giq n ARG 278 N 2.24 0.64 -2.51 5.12 1.74 -0.54 -1.85 116.66 121.51 2giq n ARG 278 Ca -0.19 -2.40 -0.05 0.00 -0.77 0.00 0.00 57.85 54.44 2giq n ARG 278 Cb 0.54 -0.71 -0.02 0.00 -1.02 0.00 0.00 32.46 31.25 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 -2.31 4.21 0.07 0.00 6.06 -0.96 -4.64 118.95 121.38 2giq s ARG 280 Ca 0.08 2.39 -0.30 0.00 -2.50 0.00 0.00 55.73 55.40 2giq s ARG 280 Cb 0.00 -3.12 -0.05 0.00 0.06 0.00 0.00 34.95 31.85 2giq s ARG 280 CO 0.05 -0.56 0.96 0.00 -2.50 0.00 0.00 175.30 173.25 2giq s ALA 281 N 0.66 3.22 -0.43 6.12 0.00 -1.26 -4.79 121.76 125.28 2giq s ALA 281 Ca 0.66 0.55 0.26 0.00 0.00 0.00 0.00 51.96 53.43 2giq s ALA 281 Cb -0.44 -3.28 0.79 0.00 0.00 0.00 0.00 23.12 20.18 2giq s ALA 281 CO 0.37 -0.08 1.75 0.66 0.00 0.00 0.00 175.76 178.46 2giq h SER 282 N 5.95 0.00 -1.22 0.00 4.64 -1.89 -3.36 113.55 117.68 2giq h SER 282 Ca -0.42 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.30 2giq h SER 282 Cb 1.21 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.90 2giq h SER 282 CO 0.73 0.00 -0.54 0.61 -0.87 0.00 0.00 176.83 176.76 2giq n GLY 283 N 0.78 6.12 3.43 -0.77 0.00 0.01 -4.27 105.19 110.48 2giq n GLY 283 Ca 0.03 -2.68 -0.21 0.00 0.00 0.00 0.00 46.02 43.16 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 -5.10 1.59 0.28 1.61 -7.23 -1.13 -4.39 120.40 106.03 2giq s VAL 284 Ca 0.50 -2.11 -0.02 0.00 -1.81 0.00 0.00 61.98 58.55 2giq s VAL 284 Cb 0.41 -2.48 0.18 0.00 0.56 0.00 0.00 36.38 35.05 2giq s VAL 284 CO -0.11 -0.28 1.85 0.25 -0.31 0.00 0.00 175.10 176.51 2giq h LEU 285 N 2.27 0.82 -0.43 1.32 5.85 -1.82 -2.81 115.31 120.51 2giq h LEU 285 Ca -0.40 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.20 2giq h LEU 285 Cb 1.23 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.05 2giq h LEU 285 CO 0.67 0.75 0.00 0.35 -0.34 0.00 0.00 178.44 179.87 2giq n THR 286 N -4.30 0.05 0.00 1.05 -2.24 -1.26 -4.26 114.28 103.32 2giq n THR 286 Ca 0.05 -0.12 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 2giq n THR 286 Cb 0.18 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.32 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 0.94 0.80 0.39 4.28 2.02 -1.75 0.11 112.91 119.70 2giq h THR 287 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2giq h THR 287 Cb 0.20 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 2giq h THR 287 CO 0.00 0.00 -0.19 -1.28 0.37 0.00 0.00 175.52 174.42 2giq h SER 288 N -0.07 -0.44 -0.46 4.18 0.87 -1.74 -0.76 113.55 115.13 2giq h SER 288 Ca 0.06 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2giq h SER 288 Cb 0.16 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 2giq h SER 288 CO -0.14 -0.17 0.29 0.00 -0.53 0.00 0.00 176.83 176.29 2giq h GLY 290 N 0.62 0.36 1.12 0.00 0.00 -0.80 0.96 103.07 105.32 2giq h GLY 290 Ca 0.17 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.25 2giq h GLY 290 CO -0.03 0.15 -0.00 3.43 0.00 0.00 0.00 176.54 180.08 2giq h ASN 291 N 0.32 1.03 -0.08 0.19 2.35 -0.96 -1.34 115.58 117.08 2giq h ASN 291 Ca 0.09 -0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2giq h ASN 291 Cb 0.01 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.10 2giq h ASN 291 CO -0.02 1.08 0.04 0.74 -1.65 0.00 0.00 177.43 177.63 2giq h THR 292 N 0.96 1.10 -0.48 2.81 2.02 -0.81 0.10 112.91 118.62 2giq h THR 292 Ca 0.17 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 2giq h THR 292 Cb 0.56 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 2giq h THR 292 CO 0.03 0.08 0.23 -0.07 0.37 0.00 0.00 175.52 176.17 2giq h LEU 293 N 0.03 0.62 -0.32 2.58 3.38 -0.70 -0.34 115.31 120.56 2giq h LEU 293 Ca 0.03 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 2giq h LEU 293 Cb 0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2giq h LEU 293 CO -0.00 0.57 -0.15 0.74 0.09 0.00 0.00 178.44 179.68 2giq h THR 294 N 0.63 1.29 -0.33 0.22 2.02 -1.14 0.39 112.91 115.99 2giq h THR 294 Ca 0.16 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 66.09 2giq h THR 294 Cb 0.11 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 2giq h THR 294 CO -0.02 0.41 0.21 0.00 0.37 0.00 0.00 175.52 176.49 2giq h TYR 296 N 0.44 0.94 0.22 0.00 5.03 -0.87 -0.29 116.97 122.44 2giq h TYR 296 Ca 0.12 -0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.38 2giq h TYR 296 Cb -0.02 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 37.97 2giq h TYR 296 CO -0.05 0.70 -0.10 1.25 -1.32 0.00 0.00 178.16 178.64 2giq h LEU 297 N 0.91 -0.25 -0.34 2.82 5.85 -0.75 0.12 115.31 123.67 2giq h LEU 297 Ca 0.23 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 2giq h LEU 297 Cb 0.10 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2giq h LEU 297 CO -0.03 -0.10 0.14 0.11 -0.34 0.00 0.00 178.44 178.22 2giq h LYS 298 N -0.38 0.50 -0.56 1.25 1.57 -1.12 -2.19 116.57 115.65 2giq h LYS 298 Ca -0.03 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 2giq h LYS 298 Cb 0.29 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2giq h LYS 298 CO 0.05 0.50 0.13 0.00 -0.57 0.00 0.00 179.45 179.55 2giq h ALA 299 N 0.98 0.74 -0.66 3.86 0.00 -1.03 -0.33 119.26 122.82 2giq h ALA 299 Ca 0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2giq h ALA 299 Cb 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2giq h ALA 299 CO -0.01 0.46 0.29 0.77 0.00 0.00 0.00 179.25 180.76 2giq h SER 300 N 0.81 0.89 -0.61 0.00 0.02 -0.66 0.39 113.55 114.39 2giq h SER 300 Ca 0.18 -0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 2giq h SER 300 Cb 0.36 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2giq h SER 300 CO 0.00 0.79 0.09 0.00 -1.14 0.00 0.00 176.83 176.58 2giq h ALA 301 N 1.13 0.81 -0.69 3.77 0.00 -1.26 -2.87 119.26 120.15 2giq h ALA 301 Ca 0.22 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2giq h ALA 301 Cb 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2giq h ALA 301 CO -0.02 0.58 0.17 0.00 0.00 0.00 0.00 179.25 179.97 2giq h ALA 302 N 1.02 0.99 -0.79 0.00 0.00 -0.70 -1.11 119.26 118.67 2giq h ALA 302 Ca 0.18 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.96 2giq h ALA 302 Cb 0.44 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 2giq h ALA 302 CO 0.01 0.65 0.42 0.00 0.00 0.00 0.00 179.25 180.34 2giq h ARG 304 N 0.67 0.50 -0.81 0.00 3.08 -1.20 -1.68 114.38 114.95 2giq h ARG 304 Ca 0.40 -0.21 0.15 0.00 0.07 0.00 0.00 59.98 60.39 2giq h ARG 304 Cb 0.45 -0.02 -0.10 0.00 0.08 0.00 0.00 29.97 30.38 2giq h ARG 304 CO -0.29 0.75 0.37 0.00 -1.07 0.00 0.00 179.97 179.73 2giq h ALA 305 N 0.74 1.18 -0.01 0.04 0.00 -0.89 -2.19 119.26 118.13 2giq h ALA 305 Ca 0.06 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2giq h ALA 305 Cb 0.58 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2giq h ALA 305 CO 0.03 -0.16 -0.05 0.00 0.00 0.00 0.00 179.25 179.07 2giq n ALA 306 N -2.47 2.70 -3.54 0.00 0.00 -0.23 -4.94 120.51 112.02 2giq n ALA 306 Ca 0.16 -0.35 -0.26 0.00 0.00 0.00 0.00 53.44 52.99 2giq n ALA 306 Cb 0.44 -1.28 0.04 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.42 -5.67 -2.12 0.00 5.02 -0.68 -4.80 118.16 109.48 2giq n LYS 307 Ca 0.18 0.71 -0.41 0.00 -2.02 0.00 0.00 58.31 56.77 2giq n LYS 307 Cb 0.28 -5.61 -0.03 0.00 -0.02 0.00 0.00 35.03 29.65 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 -7.04 4.41 -0.20 -0.35 1.02 -0.92 -4.97 118.68 110.63 2giq s LEU 308 Ca 0.52 2.54 -0.20 0.00 0.02 0.00 0.00 54.13 57.01 2giq s LEU 308 Cb -0.25 -3.62 -0.03 0.00 0.02 0.00 0.00 46.19 42.31 2giq s LEU 308 CO 0.65 -0.59 0.61 -1.10 0.02 0.00 0.00 176.35 175.93 2giq s GLN 309 N -0.44 4.20 -1.21 1.70 -1.52 -1.26 -4.39 119.66 116.75 2giq s GLN 309 Ca 0.57 0.57 -0.01 0.00 -1.95 0.00 0.00 55.36 54.54 2giq s GLN 309 Cb -0.39 -3.58 -0.01 0.00 -0.22 0.00 0.00 33.01 28.81 2giq s GLN 309 CO 0.42 -0.23 0.90 -3.47 -0.25 0.00 0.00 175.29 172.66 2giq n ASP 310 N 5.02 -2.49 -4.72 5.90 2.03 -1.26 -0.34 116.55 120.69 2giq n ASP 310 Ca -0.02 -0.70 -0.42 0.00 0.52 0.00 0.00 54.79 54.17 2giq n ASP 310 Cb 0.50 -4.79 -0.03 0.00 -0.72 0.00 0.00 41.12 36.07 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 0.71 1.94 0.17 0.00 2.01 0.43 -4.99 115.64 115.92 2giq s THR 312 Ca 0.59 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 61.74 2giq s THR 312 Cb -0.34 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 2giq s THR 312 CO 0.32 0.53 0.13 -0.04 -0.69 0.00 0.00 174.62 174.87 2giq s MET 313 N 0.84 2.87 -0.11 4.92 -1.94 -1.26 -0.99 119.30 123.62 2giq s MET 313 Ca -0.07 -0.89 -0.02 0.00 -1.71 0.00 0.00 55.69 53.00 2giq s MET 313 Cb -0.15 -2.62 0.04 0.00 2.01 0.00 0.00 34.83 34.10 2giq s MET 313 CO -0.02 0.48 -0.00 -1.17 -0.01 0.00 0.00 175.02 174.30 2giq s LEU 314 N -3.12 0.85 -0.09 -0.03 2.96 0.24 -4.26 118.68 115.23 2giq s LEU 314 Ca 0.31 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 2giq s LEU 314 Cb -0.10 -0.54 0.01 0.00 0.50 0.00 0.00 46.19 46.06 2giq s LEU 314 CO 0.23 -0.21 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.19 2giq s VAL 315 N 1.90 1.53 -0.36 1.68 1.01 -0.10 -1.29 120.40 124.77 2giq s VAL 315 Ca 0.03 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.33 2giq s VAL 315 Cb -0.14 -1.37 0.11 0.00 0.00 0.00 0.00 36.38 34.98 2giq s VAL 315 CO -0.06 0.44 0.14 0.20 0.00 0.00 0.00 175.10 175.82 2giq s ASN 316 N 0.75 3.98 1.98 3.32 -0.87 -0.62 -0.32 114.94 123.16 2giq s ASN 316 Ca -0.12 -2.02 0.00 0.00 -1.57 0.00 0.00 52.86 49.16 2giq s ASN 316 Cb -0.16 -1.00 0.00 0.00 -0.02 0.00 0.00 41.25 40.07 2giq s ASN 316 CO 0.02 -0.36 0.00 0.61 -2.57 0.00 0.00 177.10 174.80 2giq n GLY 317 N 4.36 4.08 0.25 0.66 0.00 -1.26 -1.02 105.19 112.25 2giq n GLY 317 Ca 0.02 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 7.34 0.76 -4.64 1.61 5.75 -1.26 -3.66 116.55 122.45 2giq n ASP 318 Ca 0.00 -1.43 -0.38 0.00 -0.01 0.00 0.00 54.79 52.98 2giq n ASP 318 Cb 0.00 -0.03 -0.09 0.00 -1.03 0.00 0.00 41.12 39.97 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 -1.75 6.19 -0.06 -1.12 -1.08 -0.19 -4.62 116.67 114.05 2giq s ASP 319 Ca 0.35 0.21 0.03 0.00 -0.52 0.00 0.00 52.55 52.63 2giq s ASP 319 Cb 0.18 -2.16 0.01 0.00 -1.46 0.00 0.00 42.92 39.49 2giq s ASP 319 CO 0.29 -0.04 -0.15 -0.22 0.52 0.00 0.00 175.17 175.57 2giq s LEU 320 N 1.44 1.77 -0.02 -1.34 2.96 -1.25 -1.58 118.68 120.66 2giq s LEU 320 Ca 0.11 -0.34 0.05 0.00 -0.22 0.00 0.00 54.13 53.74 2giq s LEU 320 Cb -0.15 -0.91 -0.01 0.00 0.50 0.00 0.00 46.19 45.62 2giq s LEU 320 CO 0.08 0.08 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.31 2giq s VAL 321 N 0.44 1.43 -0.06 1.68 1.01 -0.42 -1.79 120.40 122.70 2giq s VAL 321 Ca -0.12 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.12 2giq s VAL 321 Cb -0.15 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.04 2giq s VAL 321 CO 0.04 0.41 -0.14 -0.69 0.00 0.00 0.00 175.10 174.71 2giq s VAL 322 N -0.36 1.24 -0.08 2.92 1.01 -0.46 -0.59 120.40 124.09 2giq s VAL 322 Ca 0.05 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.49 2giq s VAL 322 Cb -0.08 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.21 2giq s VAL 322 CO -0.00 0.37 -0.17 -0.63 0.00 0.00 0.00 175.10 174.67 2giq s ILE 323 N 0.38 1.51 0.30 2.22 1.01 -0.16 -1.09 121.20 125.37 2giq s ILE 323 Ca -0.10 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 59.87 2giq s ILE 323 Cb -0.14 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 2giq s ILE 323 CO 0.03 0.44 0.35 0.00 0.00 0.00 0.00 174.94 175.76 2giq s GLU 325 N -2.92 4.39 0.22 0.00 0.41 0.54 -1.42 118.70 119.92 2giq s GLU 325 Ca 0.30 1.26 -0.30 0.00 -0.41 0.00 0.00 54.97 55.82 2giq s GLU 325 Cb 0.00 -3.54 -0.09 0.00 -1.78 0.00 0.00 34.13 28.72 2giq s GLU 325 CO 0.21 -0.29 1.37 0.45 -0.49 0.00 0.00 175.26 176.51 2giq s SER 326 N 1.09 6.79 -0.15 -0.19 0.15 0.14 -4.36 113.70 117.17 2giq s SER 326 Ca 0.45 2.52 0.17 0.00 0.70 0.00 0.00 55.95 59.78 2giq s SER 326 Cb -0.18 -2.61 0.71 0.00 -1.71 0.00 0.00 66.02 62.23 2giq s SER 326 CO 0.17 -0.61 1.63 0.00 1.20 0.00 0.00 173.24 175.63 2giq n ALA 327 N 2.56 3.28 0.00 5.45 0.00 -1.26 -4.86 120.51 125.67 2giq n ALA 327 Ca 0.07 -1.77 0.00 0.00 0.00 0.00 0.00 53.44 51.74 2giq n ALA 327 Cb 0.42 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 0.76 2.60 0.25 0.00 0.00 -1.26 -4.59 105.19 102.94 2giq n GLY 328 Ca 0.25 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.27 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 1.28 -0.29 2.61 1.35 -1.99 0.69 112.91 116.57 2giq h THR 329 Ca 0.00 -1.26 -0.10 0.00 -0.55 0.00 0.00 66.41 64.50 2giq h THR 329 Cb 0.00 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 67.63 2giq h THR 329 CO 0.00 0.43 -0.20 -0.61 -0.25 0.00 0.00 175.52 174.89 2giq h GLN 330 N 0.66 0.64 -0.80 4.72 5.75 -2.00 -2.11 115.11 121.96 2giq h GLN 330 Ca 0.10 -0.30 -0.04 0.00 -0.15 0.00 0.00 58.65 58.25 2giq h GLN 330 Cb 0.69 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.20 2giq h GLN 330 CO 0.05 0.90 0.33 0.93 -2.65 0.00 0.00 178.83 178.39 2giq h GLU 331 N 0.38 1.19 -0.17 1.69 3.07 -1.79 -2.13 114.58 116.82 2giq h GLU 331 Ca 0.06 -0.21 -0.00 0.00 -0.50 0.00 0.00 59.36 58.71 2giq h GLU 331 Cb 0.74 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 2giq h GLU 331 CO 0.05 0.95 0.10 -0.44 -1.40 0.00 0.00 179.01 178.28 2giq h ASP 332 N 1.16 0.20 -0.77 1.42 3.32 -0.72 -0.76 116.42 120.27 2giq h ASP 332 Ca 0.27 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 2giq h ASP 332 Cb 0.20 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 2giq h ASP 332 CO -0.02 0.19 0.34 0.00 -1.72 0.00 0.00 179.24 178.02 2giq h ALA 333 N 1.02 1.13 -0.15 3.45 0.00 -1.30 -1.82 119.26 121.60 2giq h ALA 333 Ca 0.06 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2giq h ALA 333 Cb 0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2giq h ALA 333 CO -0.01 0.64 0.08 0.00 0.00 0.00 0.00 179.25 179.96 2giq h ALA 334 N 1.25 0.18 -1.00 0.00 0.00 -1.13 -2.68 119.26 115.88 2giq h ALA 334 Ca 0.26 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.25 2giq h ALA 334 Cb 0.16 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 2giq h ALA 334 CO -0.03 -0.35 0.65 0.77 0.00 0.00 0.00 179.25 180.29 2giq h SER 335 N 0.17 1.01 -0.24 0.00 0.02 -0.89 -2.06 113.55 111.56 2giq h SER 335 Ca 0.06 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 2giq h SER 335 Cb -0.00 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 2giq h SER 335 CO -0.03 0.62 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.17 2giq h LEU 336 N 1.14 0.56 -0.32 5.07 3.38 -1.10 -0.21 115.31 123.82 2giq h LEU 336 Ca 0.45 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 2giq h LEU 336 Cb 0.24 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2giq h LEU 336 CO -0.19 0.66 0.16 -0.09 0.09 0.00 0.00 178.44 179.07 2giq h ARG 337 N 0.55 0.46 -0.61 1.13 2.43 -1.05 -1.38 114.38 115.91 2giq h ARG 337 Ca 0.11 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2giq h ARG 337 Cb 0.42 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 2giq h ARG 337 CO 0.02 0.42 0.25 0.28 -1.51 0.00 0.00 179.97 179.43 2giq h VAL 338 N 0.39 1.23 -0.37 0.20 2.07 -1.14 -0.96 116.25 117.67 2giq h VAL 338 Ca 0.11 -0.70 0.06 0.00 0.82 0.00 0.00 66.70 67.00 2giq h VAL 338 Cb 0.10 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.37 2giq h VAL 338 CO -0.02 0.27 0.03 0.15 0.02 0.00 0.00 177.57 178.03 2giq h PHE 339 N 0.84 0.04 -0.51 1.57 3.57 -0.89 -0.43 116.94 121.14 2giq h PHE 339 Ca 0.20 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.62 2giq h PHE 339 Cb 0.19 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 2giq h PHE 339 CO 0.01 -0.03 -0.11 1.15 -2.23 0.00 0.00 178.31 177.09 2giq h THR 340 N 0.14 1.27 -0.79 4.41 2.02 -0.95 -0.70 112.91 118.32 2giq h THR 340 Ca 0.18 -1.25 0.03 0.00 0.77 0.00 0.00 66.41 66.14 2giq h THR 340 Cb 0.23 0.99 -0.05 0.00 -1.74 0.00 0.00 68.15 67.59 2giq h THR 340 CO -0.27 0.44 0.50 -0.33 0.37 0.00 0.00 175.52 176.23 2giq h GLU 341 N 0.85 0.95 -0.17 6.66 5.08 -0.76 -0.47 114.58 126.72 2giq h GLU 341 Ca 0.13 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2giq h GLU 341 Cb 0.66 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2giq h GLU 341 CO 0.05 0.63 -0.08 0.00 -1.00 0.00 0.00 179.01 178.61 2giq h ALA 342 N 1.33 0.24 -0.91 3.43 0.00 -0.65 -1.87 119.26 120.83 2giq h ALA 342 Ca 0.31 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 55.03 2giq h ALA 342 Cb 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 2giq h ALA 342 CO -0.11 0.06 0.57 0.52 0.00 0.00 0.00 179.25 180.28 2giq h MET 343 N 0.05 0.96 -0.50 0.00 2.86 -1.00 -1.97 114.93 115.31 2giq h MET 343 Ca 0.04 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 2giq h MET 343 Cb 0.56 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 2giq h MET 343 CO 0.03 0.63 0.17 1.15 1.06 0.00 0.00 176.91 179.95 2giq h THR 344 N 0.99 1.23 -0.35 2.22 2.02 -0.93 0.67 112.91 118.75 2giq h THR 344 Ca 0.42 -0.75 0.04 0.00 0.77 0.00 0.00 66.41 66.89 2giq h THR 344 Cb 0.27 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 2giq h THR 344 CO -0.21 0.28 0.24 0.03 0.37 0.00 0.00 175.52 176.23 2giq h ARG 345 N 0.68 0.31 -0.10 6.66 3.08 -0.88 -2.02 114.38 122.11 2giq h ARG 345 Ca 0.16 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2giq h ARG 345 Cb 0.26 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2giq h ARG 345 CO -0.01 0.20 0.00 0.66 -1.07 0.00 0.00 179.97 179.75 2giq n TYR 346 N -4.48 0.13 -3.00 3.04 4.01 -0.78 -1.14 117.16 114.94 2giq n TYR 346 Ca 0.04 -0.06 -0.13 0.00 -0.16 0.00 0.00 57.90 57.59 2giq n TYR 346 Cb 0.19 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.28 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 -0.24 -3.74 -3.09 7.72 2.88 -0.76 -4.93 113.62 111.47 2giq n SER 347 Ca 0.11 -0.52 -0.17 0.00 -1.33 0.00 0.00 58.87 56.96 2giq n SER 347 Cb 0.15 -4.15 -0.01 0.00 -0.75 0.00 0.00 64.21 59.45 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 -3.17 1.43 -1.52 -1.46 0.00 0.16 -4.61 120.51 111.34 2giq n ALA 348 Ca -0.15 -2.97 -0.34 0.00 0.00 0.00 0.00 53.44 49.99 2giq n ALA 348 Cb 0.61 -0.97 0.05 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.58 2.73 0.41 0.00 0.04 -1.26 -4.01 135.00 131.33 2giq s PRO 349 Ca 0.36 1.52 -0.16 0.00 0.04 0.00 0.00 61.00 62.75 2giq s PRO 349 Cb 0.30 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.82 2giq s PRO 349 CO -0.09 -1.32 0.86 -1.25 0.04 0.00 0.00 177.00 175.24 2giq s PRO 350 N -3.92 4.03 0.00 0.56 0.04 -1.26 -1.20 135.00 133.25 2giq s PRO 350 Ca 0.70 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.58 2giq s PRO 350 Cb -0.23 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.02 2giq s PRO 350 CO 0.40 -0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.83 2giq n GLY 351 N -0.85 1.81 3.77 0.56 0.00 0.14 -4.36 105.19 106.26 2giq n GLY 351 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 7.34 0.35 1.61 1.01 -1.26 -4.96 116.67 119.76 2giq s ASP 352 Ca 0.00 1.99 -0.27 0.00 0.71 0.00 0.00 52.55 54.98 2giq s ASP 352 Cb 0.00 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.24 2giq s ASP 352 CO 0.00 -0.07 1.22 -2.84 0.21 0.00 0.00 175.17 173.68 2giq s PRO 353 N -1.72 4.26 0.45 8.23 0.02 -1.26 -4.52 135.00 140.46 2giq s PRO 353 Ca 0.47 1.99 -0.23 0.00 0.02 0.00 0.00 61.00 63.25 2giq s PRO 353 Cb -0.24 -2.92 -0.08 0.00 0.02 0.00 0.00 34.50 31.28 2giq s PRO 353 CO 0.31 -0.19 1.17 -1.25 -0.33 0.00 0.00 177.00 176.70 2giq s PRO 354 N -1.95 3.80 -0.08 5.54 0.04 -1.26 -5.03 135.00 136.05 2giq s PRO 354 Ca 0.52 1.78 0.04 0.00 0.04 0.00 0.00 61.00 63.38 2giq s PRO 354 Cb -0.35 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.75 2giq s PRO 354 CO 0.45 -0.52 -0.22 -0.65 0.04 0.00 0.00 177.00 176.11 2giq s GLN 355 N -2.64 2.62 0.27 4.56 -0.21 -1.26 -5.00 119.66 118.00 2giq s GLN 355 Ca 0.63 -0.78 -0.29 0.00 0.02 0.00 0.00 55.36 54.93 2giq s GLN 355 Cb -0.29 -2.05 -0.10 0.00 1.00 0.00 0.00 33.01 31.57 2giq s GLN 355 CO 0.35 0.19 1.26 -1.25 -2.12 0.00 0.00 175.29 173.72 2giq s PRO 356 N 0.29 4.44 -0.01 2.91 0.05 -1.26 -4.52 135.00 136.89 2giq s PRO 356 Ca -0.14 2.05 0.06 0.00 0.05 0.00 0.00 61.00 63.02 2giq s PRO 356 Cb -0.16 -3.15 -0.01 0.00 0.05 0.00 0.00 34.50 31.23 2giq s PRO 356 CO 0.07 -0.11 -0.19 -1.21 0.05 0.00 0.00 177.00 175.61 2giq s GLU 357 N -1.10 1.51 -0.08 4.56 0.41 0.51 -4.98 118.70 119.54 2giq s GLU 357 Ca 0.51 -0.67 0.12 0.00 -0.41 0.00 0.00 54.97 54.51 2giq s GLU 357 Cb -0.37 -1.47 0.28 0.00 -1.78 0.00 0.00 34.13 30.79 2giq s GLU 357 CO 0.45 0.40 1.20 0.66 -0.49 0.00 0.00 175.26 177.48 2giq n TYR 358 N 2.60 0.33 -3.82 1.61 4.01 -1.26 -1.47 117.16 119.17 2giq n TYR 358 Ca -0.15 -0.72 -0.25 0.00 -0.16 0.00 0.00 57.90 56.62 2giq n TYR 358 Cb 0.54 -0.14 -0.17 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 -1.73 1.94 0.46 7.72 -1.08 -1.26 -5.02 116.67 117.71 2giq s ASP 359 Ca 0.24 -0.24 0.14 0.00 -0.52 0.00 0.00 52.55 52.17 2giq s ASP 359 Cb 0.18 -0.62 1.09 0.00 -1.46 0.00 0.00 42.92 42.12 2giq s ASP 359 CO 0.07 -0.17 2.06 0.25 0.52 0.00 0.00 175.17 177.89 2giq h LEU 360 N 8.26 0.25 -1.20 -1.34 5.85 -1.97 -1.52 115.31 123.64 2giq h LEU 360 Ca -0.23 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2giq h LEU 360 Cb 1.13 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2giq h LEU 360 CO 0.32 0.17 0.00 -0.33 -0.34 0.00 0.00 178.44 178.26 2giq h GLU 361 N 0.29 0.00 -0.00 1.25 5.08 -1.97 -2.88 114.58 116.35 2giq h GLU 361 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2giq h GLU 361 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2giq h GLU 361 CO -0.03 0.00 -0.16 1.28 -1.00 0.00 0.00 179.01 179.10 2giq n LEU 362 N -2.92 0.54 -4.69 1.33 4.77 -0.57 -4.58 117.00 110.88 2giq n LEU 362 Ca 0.01 -0.01 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 2giq n LEU 362 Cb 0.31 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 2giq n LEU 362 CO 0.26 0.10 0.43 -0.63 -1.33 0.00 0.00 177.39 176.23 2giq s ILE 363 N -2.56 5.00 -0.18 -0.08 1.01 -1.09 -5.05 121.20 118.25 2giq s ILE 363 Ca 0.25 1.39 -0.06 0.00 0.00 0.00 0.00 60.65 62.23 2giq s ILE 363 Cb 0.20 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 2giq s ILE 363 CO 0.51 0.15 0.02 -0.89 0.00 0.00 0.00 174.94 174.73 2giq s THR 364 N 1.50 4.33 -0.10 2.92 2.01 -1.26 -4.42 115.64 120.62 2giq s THR 364 Ca 0.34 -0.19 -0.17 0.00 0.31 0.00 0.00 61.69 61.98 2giq s THR 364 Cb -0.17 -2.95 0.04 0.00 0.01 0.00 0.00 72.50 69.44 2giq s THR 364 CO 0.14 0.45 0.42 -0.94 -0.69 0.00 0.00 174.62 174.00 2giq s SER 365 N 0.60 -0.39 -1.58 3.53 1.04 -0.33 -4.72 113.70 111.85 2giq s SER 365 Ca 0.01 0.58 -0.15 0.00 0.48 0.00 0.00 55.95 56.87 2giq s SER 365 Cb -0.14 0.64 0.10 0.00 0.10 0.00 0.00 66.02 66.73 2giq s SER 365 CO 0.02 -0.32 0.90 0.00 0.98 0.00 0.00 173.24 174.82 2giq n SER 367 N -2.79 -5.64 -4.22 0.00 7.64 -1.26 -4.93 113.62 102.43 2giq n SER 367 Ca 0.03 0.32 -0.13 0.00 1.01 0.00 0.00 58.87 60.10 2giq n SER 367 Cb 0.52 -4.26 -0.10 0.00 -1.01 0.00 0.00 64.21 59.36 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 -2.49 1.35 0.04 6.43 0.01 -0.42 -4.48 113.70 114.14 2giq s SER 368 Ca 0.00 -1.07 -0.02 0.00 1.31 0.00 0.00 55.95 56.18 2giq s SER 368 Cb 0.00 0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.27 2giq s SER 368 CO 0.00 -0.47 -0.00 0.54 0.41 0.00 0.00 173.24 173.72 2giq s ASN 369 N -3.13 0.35 0.27 2.44 4.22 0.02 -1.19 114.94 117.93 2giq s ASN 369 Ca 0.17 -0.76 -0.29 0.00 -2.14 0.00 0.00 52.86 49.84 2giq s ASN 369 Cb 0.05 0.18 -0.09 0.00 1.28 0.00 0.00 41.25 42.66 2giq s ASN 369 CO -0.00 -0.49 1.11 -0.69 -2.04 0.00 0.00 177.10 174.99 2giq s VAL 370 N -2.93 3.48 0.26 3.54 1.01 -1.26 -1.49 120.40 123.01 2giq s VAL 370 Ca -0.02 1.46 0.02 0.00 0.00 0.00 0.00 61.98 63.44 2giq s VAL 370 Cb 0.01 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2giq s VAL 370 CO -0.06 0.34 0.22 -0.55 0.00 0.00 0.00 175.10 175.04 2giq s SER 371 N -0.75 0.80 -0.03 3.32 0.15 -0.52 -4.36 113.70 112.31 2giq s SER 371 Ca 0.45 -1.53 0.05 0.00 0.70 0.00 0.00 55.95 55.63 2giq s SER 371 Cb -0.32 0.47 -0.01 0.00 -1.71 0.00 0.00 66.02 64.45 2giq s SER 371 CO 0.41 -0.96 -0.19 0.54 1.20 0.00 0.00 173.24 174.23 2giq s VAL 372 N -3.81 1.57 0.05 4.45 0.11 -1.26 -1.64 120.40 119.88 2giq s VAL 372 Ca 0.39 -0.82 0.01 0.00 -2.93 0.00 0.00 61.98 58.63 2giq s VAL 372 Cb 0.04 -1.33 -0.00 0.00 -1.53 0.00 0.00 36.38 33.57 2giq s VAL 372 CO 0.19 0.45 0.02 0.00 -3.33 0.00 0.00 175.10 172.42 2giq n ALA 373 N 2.90 0.08 -2.38 1.54 0.00 -0.60 -3.12 120.51 118.93 2giq n ALA 373 Ca -0.17 -0.28 -0.29 0.00 0.00 0.00 0.00 53.44 52.71 2giq n ALA 373 Cb 0.53 0.19 -0.16 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.79 2.06 0.69 0.00 3.76 0.43 -0.75 115.29 119.70 2giq s HIS 374 Ca 0.03 -0.39 -0.10 0.00 -0.15 0.00 0.00 55.06 54.45 2giq s HIS 374 Cb 0.00 -1.32 0.15 0.00 1.11 0.00 0.00 32.58 32.53 2giq s HIS 374 CO 0.02 -0.02 0.94 -0.40 -0.85 0.00 0.00 174.74 174.43 2giq n ASP 375 N 2.45 0.30 0.28 1.40 5.68 -0.18 -0.42 116.55 126.05 2giq n ASP 375 Ca -0.16 -1.48 0.15 0.00 -0.50 0.00 0.00 54.79 52.81 2giq n ASP 375 Cb 0.52 -0.70 0.81 0.00 -1.14 0.00 0.00 41.12 40.61 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 -1.55 1.21 -0.00 2.12 0.00 -1.91 -0.59 119.26 118.55 2giq h ALA 376 Ca -0.31 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2giq h ALA 376 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2giq h ALA 376 CO 0.24 0.10 -0.10 -1.13 0.00 0.00 0.00 179.25 178.36 2giq n SER 377 N -3.48 0.39 0.00 0.00 3.41 -1.26 -4.91 113.62 107.76 2giq n SER 377 Ca -0.02 -0.50 0.00 0.00 -0.26 0.00 0.00 58.87 58.09 2giq n SER 377 Cb 0.21 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 1.28 0.77 3.77 5.00 0.00 -0.23 -5.05 105.19 110.74 2giq n GLY 378 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.64 4.36 0.11 1.61 2.20 -1.26 -4.69 119.74 121.44 2giq s LYS 379 Ca 0.00 2.21 -0.31 0.00 -0.36 0.00 0.00 55.97 57.51 2giq s LYS 379 Cb 0.00 -3.07 -0.08 0.00 -1.51 0.00 0.00 37.83 33.17 2giq s LYS 379 CO 0.00 -0.18 1.37 1.03 -0.36 0.00 0.00 175.35 177.21 2giq s ARG 380 N -1.79 4.33 -0.03 4.03 0.52 -1.26 -1.01 118.95 123.74 2giq s ARG 380 Ca 0.49 2.05 0.02 0.00 -0.52 0.00 0.00 55.73 57.77 2giq s ARG 380 Cb -0.40 -3.25 0.01 0.00 0.52 0.00 0.00 34.95 31.83 2giq s ARG 380 CO 0.53 -0.41 -0.08 0.54 0.02 0.00 0.00 175.30 175.90 2giq s VAL 381 N 1.04 0.73 0.24 3.52 0.11 0.07 -4.93 120.40 121.17 2giq s VAL 381 Ca 0.64 -0.30 -0.17 0.00 -2.93 0.00 0.00 61.98 59.21 2giq s VAL 381 Cb -0.36 -0.67 -0.08 0.00 -1.53 0.00 0.00 36.38 33.74 2giq s VAL 381 CO 0.31 0.24 0.69 -0.31 -3.33 0.00 0.00 175.10 172.69 2giq s TYR 382 N 0.39 3.56 0.20 1.54 2.02 -1.26 -1.56 117.35 122.23 2giq s TYR 382 Ca -0.06 1.25 -0.15 0.00 -0.37 0.00 0.00 57.07 57.74 2giq s TYR 382 Cb -0.10 -2.53 0.01 0.00 -0.40 0.00 0.00 41.96 38.94 2giq s TYR 382 CO 0.01 0.29 0.47 1.52 -1.57 0.00 0.00 175.55 176.26 2giq s TYR 383 N -1.65 0.07 -0.16 2.71 1.13 -0.65 -4.97 117.35 113.82 2giq s TYR 383 Ca 0.45 -0.42 -0.08 0.00 -1.41 0.00 0.00 57.07 55.61 2giq s TYR 383 Cb -0.14 0.27 -0.04 0.00 -1.10 0.00 0.00 41.96 40.94 2giq s TYR 383 CO 0.20 -0.89 0.10 -1.17 -2.51 0.00 0.00 175.55 171.27 2giq s LEU 384 N -2.92 4.08 0.36 -3.49 2.96 -1.26 -1.43 118.68 116.98 2giq s LEU 384 Ca 0.13 0.24 0.06 0.00 -0.22 0.00 0.00 54.13 54.33 2giq s LEU 384 Cb -0.00 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 2giq s LEU 384 CO -0.00 0.26 0.21 0.28 -1.32 0.00 0.00 176.35 175.78 2giq s THR 385 N -0.11 0.24 0.24 3.68 -1.32 -0.56 -4.73 115.64 113.09 2giq s THR 385 Ca 0.09 -2.00 -0.16 0.00 -1.21 0.00 0.00 61.69 58.41 2giq s THR 385 Cb -0.12 -2.42 0.01 0.00 -1.51 0.00 0.00 72.50 68.46 2giq s THR 385 CO 0.01 0.00 0.53 0.00 -2.21 0.00 0.00 174.62 172.95 2giq s ARG 386 N -3.57 1.54 0.12 7.08 1.70 -1.26 -0.80 118.95 123.76 2giq s ARG 386 Ca 0.33 -1.09 -0.31 0.00 -0.47 0.00 0.00 55.73 54.19 2giq s ARG 386 Cb 0.02 0.51 -0.10 0.00 -0.57 0.00 0.00 34.95 34.81 2giq s ARG 386 CO 0.22 -0.66 1.80 0.34 -1.08 0.00 0.00 175.30 175.92 2giq s ASP 387 N -2.96 6.45 0.00 -2.89 -1.08 -1.26 -4.91 116.67 110.02 2giq s ASP 387 Ca 0.16 2.72 0.07 0.00 -0.52 0.00 0.00 52.55 54.98 2giq s ASP 387 Cb -0.02 -2.57 0.29 0.00 -1.46 0.00 0.00 42.92 39.17 2giq s ASP 387 CO 0.05 -0.98 1.20 -0.81 0.52 0.00 0.00 175.17 175.15 2giq n PRO 388 N 5.63 1.24 0.29 4.34 -0.04 -1.26 -4.41 135.00 140.79 2giq n PRO 388 Ca 0.17 -0.37 -0.16 0.00 -0.04 0.00 0.00 63.50 63.10 2giq n PRO 388 Cb 0.38 -1.13 -0.08 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.63 0.46 -0.23 0.52 2.02 -1.94 -0.87 112.91 113.50 2giq h THR 389 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2giq h THR 389 Cb 0.14 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2giq h THR 389 CO 0.00 0.00 -0.01 0.74 0.37 0.00 0.00 175.52 176.62 2giq h THR 390 N -0.71 1.26 -0.83 3.16 2.02 -1.96 -0.53 112.91 115.32 2giq h THR 390 Ca -0.06 -0.92 0.17 0.00 0.77 0.00 0.00 66.41 66.36 2giq h THR 390 Cb 0.56 1.42 -0.11 0.00 -1.74 0.00 0.00 68.15 68.28 2giq h THR 390 CO 0.09 0.29 0.37 -0.65 0.37 0.00 0.00 175.52 175.98 2giq h PRO 391 N 0.17 0.46 -0.12 6.66 0.11 -1.81 -0.31 132.00 137.16 2giq h PRO 391 Ca 0.06 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 65.92 2giq h PRO 391 Cb 0.43 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.44 2giq h PRO 391 CO 0.01 0.30 -0.82 -0.07 -0.21 0.00 0.00 178.00 177.22 2giq h LEU 392 N 0.47 0.89 -0.40 2.35 3.38 -0.86 0.12 115.31 121.27 2giq h LEU 392 Ca 0.48 -0.61 0.04 0.00 0.09 0.00 0.00 57.88 57.88 2giq h LEU 392 Cb 0.79 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 2giq h LEU 392 CO -0.44 1.40 0.17 0.00 0.09 0.00 0.00 178.44 179.66 2giq h ALA 393 N 0.57 0.49 -0.65 1.53 0.00 -0.82 -0.51 119.26 119.88 2giq h ALA 393 Ca -0.06 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2giq h ALA 393 Cb 1.45 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 2giq h ALA 393 CO 0.17 -0.21 0.06 0.00 0.00 0.00 0.00 179.25 179.27 2giq h ARG 394 N 0.35 1.10 -0.84 0.00 3.08 -0.96 -2.52 114.38 114.59 2giq h ARG 394 Ca 0.18 -0.32 0.01 0.00 0.07 0.00 0.00 59.98 59.92 2giq h ARG 394 Cb 0.13 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 2giq h ARG 394 CO -0.16 1.03 0.56 0.00 -1.07 0.00 0.00 179.97 180.34 2giq h ALA 395 N 1.02 1.41 -0.49 0.04 0.00 -0.71 -0.83 119.26 119.71 2giq h ALA 395 Ca 0.19 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2giq h ALA 395 Cb 0.50 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2giq h ALA 395 CO 0.02 0.55 0.31 0.00 0.00 0.00 0.00 179.25 180.13 2giq h ALA 396 N 1.48 0.62 -0.28 0.00 0.00 -0.75 -0.43 119.26 119.90 2giq h ALA 396 Ca 0.31 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2giq h ALA 396 Cb -0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2giq h ALA 396 CO -0.07 0.03 0.15 2.35 0.00 0.00 0.00 179.25 181.71 2giq h TRP 397 N 0.62 0.38 0.00 0.00 2.91 -1.00 -2.83 115.95 116.04 2giq h TRP 397 Ca 0.19 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.20 2giq h TRP 397 Cb -0.03 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 28.50 2giq h TRP 397 CO -0.05 0.32 0.00 0.93 -1.03 0.00 0.00 178.44 178.61 2giq h GLU 398 N 0.33 0.00 -0.18 2.65 5.08 -0.88 -0.90 114.58 120.69 2giq h GLU 398 Ca 0.10 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2giq h GLU 398 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2giq h GLU 398 CO -0.02 0.00 -0.08 1.15 -1.00 0.00 0.00 179.01 179.07 2giq h THR 399 N 0.00 1.16 0.00 1.13 2.02 -0.81 -3.30 112.91 113.11 2giq h THR 399 Ca 0.00 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.50 2giq h THR 399 Cb 0.40 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 2giq h THR 399 CO 0.00 0.22 -1.00 0.00 0.37 0.00 0.00 175.52 175.11 2giq n ALA 400 N -2.49 2.79 -3.12 6.16 0.00 -0.75 -4.89 120.51 118.21 2giq n ALA 400 Ca -0.00 -0.26 -0.18 0.00 0.00 0.00 0.00 53.44 53.00 2giq n ALA 400 Cb 0.24 -0.35 -0.15 0.00 0.00 0.00 0.00 19.45 19.19 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 -2.34 0.62 0.06 0.00 1.81 -0.42 -4.90 118.95 113.78 2giq s ARG 401 Ca -0.00 -0.17 -0.30 0.00 -1.72 0.00 0.00 55.73 53.54 2giq s ARG 401 Cb 0.07 -0.62 -0.05 0.00 -0.45 0.00 0.00 34.95 33.90 2giq s ARG 401 CO 0.41 0.04 1.09 -1.01 -0.68 0.00 0.00 175.30 175.16 2giq s HIS 402 N 0.30 3.57 0.23 -0.53 3.76 -1.26 -4.30 115.29 117.05 2giq s HIS 402 Ca -0.04 1.52 0.09 0.00 -0.15 0.00 0.00 55.06 56.48 2giq s HIS 402 Cb -0.08 -3.27 -0.05 0.00 1.11 0.00 0.00 32.58 30.30 2giq s HIS 402 CO -0.00 -0.63 -0.16 0.95 -0.85 0.00 0.00 174.74 174.05 2giq s THR 403 N 0.74 1.92 0.22 1.30 -4.23 -1.26 -5.05 115.64 109.28 2giq s THR 403 Ca 0.54 -2.26 0.20 0.00 -1.18 0.00 0.00 61.69 59.00 2giq s THR 403 Cb -0.26 -2.13 0.17 0.00 1.34 0.00 0.00 72.50 71.63 2giq s THR 403 CO 0.30 -0.54 1.81 1.55 -0.54 0.00 0.00 174.62 177.20 2giq h PRO 404 N 2.47 0.00 -4.94 3.99 0.13 -1.96 -3.41 132.00 128.28 2giq h PRO 404 Ca -0.39 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.12 2giq h PRO 404 Cb 1.23 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.02 2giq h PRO 404 CO 0.62 0.31 -0.85 0.08 -0.23 0.00 0.00 178.00 177.92 2giq s VAL 405 N -3.76 1.74 -0.74 1.56 1.01 -1.26 -4.66 120.40 114.30 2giq s VAL 405 Ca -0.01 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 61.00 2giq s VAL 405 Cb 0.11 -1.56 0.12 0.00 0.00 0.00 0.00 36.38 35.05 2giq s VAL 405 CO 0.66 0.49 0.89 0.20 0.00 0.00 0.00 175.10 177.35 2giq s ASN 406 N 0.91 6.39 0.36 3.32 0.01 -0.46 -4.90 114.94 120.57 2giq s ASN 406 Ca -0.07 -1.69 0.04 0.00 -0.71 0.00 0.00 52.86 50.43 2giq s ASN 406 Cb -0.15 -2.34 0.69 0.00 0.41 0.00 0.00 41.25 39.86 2giq s ASN 406 CO -0.02 -1.10 1.98 0.77 -1.51 0.00 0.00 177.10 177.23 2giq h SER 407 N 8.98 0.58 -0.71 -1.22 4.64 -1.93 -2.41 113.55 121.48 2giq h SER 407 Ca -0.11 -0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.19 2giq h SER 407 Cb 1.06 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.96 2giq h SER 407 CO 1.08 0.48 0.47 4.11 -0.87 0.00 0.00 176.83 182.10 2giq h TRP 408 N 0.66 0.88 -0.03 4.77 5.08 -1.90 0.24 115.95 125.65 2giq h TRP 408 Ca 0.17 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 60.14 2giq h TRP 408 Cb 0.04 -0.30 0.00 0.00 -3.00 0.00 0.00 29.16 25.90 2giq h TRP 408 CO 0.00 0.54 -0.06 1.25 -1.28 0.00 0.00 178.44 178.90 2giq h LEU 409 N 0.94 0.10 -0.69 0.11 5.85 -1.83 -1.05 115.31 118.74 2giq h LEU 409 Ca 0.27 -0.56 0.11 0.00 0.84 0.00 0.00 57.88 58.54 2giq h LEU 409 Cb -0.06 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 40.86 2giq h LEU 409 CO -0.06 0.65 0.28 1.23 -0.34 0.00 0.00 178.44 180.19 2giq h GLY 410 N -0.43 1.01 1.33 3.75 0.00 -1.31 -1.76 103.07 105.66 2giq h GLY 410 Ca 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 2giq h GLY 410 CO 0.01 -0.04 -0.20 3.43 0.00 0.00 0.00 176.54 179.75 2giq h ASN 411 N 0.46 0.78 -0.54 0.19 2.35 -0.87 -0.40 115.58 117.55 2giq h ASN 411 Ca 0.36 -0.27 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 2giq h ASN 411 Cb 0.48 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 2giq h ASN 411 CO -0.34 0.97 0.17 0.40 -1.65 0.00 0.00 177.43 176.98 2giq h ILE 412 N 0.68 1.23 0.18 2.81 2.04 -0.88 0.46 117.51 124.03 2giq h ILE 412 Ca 0.10 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 2giq h ILE 412 Cb 0.70 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2giq h ILE 412 CO 0.05 0.29 -0.09 0.40 0.00 0.00 0.00 178.15 178.80 2giq h ILE 413 N 0.75 0.89 0.00 -0.67 2.04 -1.10 -0.47 117.51 118.95 2giq h ILE 413 Ca 0.18 -0.34 -0.20 0.00 1.00 0.00 0.00 64.86 65.50 2giq h ILE 413 Cb 0.27 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2giq h ILE 413 CO -0.01 0.08 -0.87 0.24 0.00 0.00 0.00 178.15 177.59 2giq h MET 414 N -0.41 0.21 -0.41 2.37 2.86 -1.06 -3.30 114.93 115.19 2giq h MET 414 Ca -0.03 -0.23 -0.23 0.00 -2.06 0.00 0.00 59.70 57.16 2giq h MET 414 Cb 0.32 0.06 -0.14 0.00 0.06 0.00 0.00 31.60 31.90 2giq h MET 414 CO 0.04 0.96 -0.10 0.66 1.06 0.00 0.00 176.91 179.53 2giq n TYR 415 N -3.67 1.31 -0.33 -0.22 4.01 0.15 -4.82 117.16 113.59 2giq n TYR 415 Ca -0.04 -1.72 0.16 0.00 -0.16 0.00 0.00 57.90 56.14 2giq n TYR 415 Cb 0.80 -0.53 0.36 0.00 -0.31 0.00 0.00 39.34 39.66 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 1.12 1.64 0.00 -0.72 0.00 -1.16 -1.34 119.26 118.81 2giq h ALA 416 Ca 0.25 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2giq h ALA 416 Cb 1.63 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2giq h ALA 416 CO 0.47 -0.33 0.00 -2.30 0.00 0.00 0.00 179.25 177.09 2giq n PRO 417 N -4.97 0.02 -2.49 0.00 -0.02 -1.26 -4.52 135.00 121.76 2giq n PRO 417 Ca 0.25 0.24 -0.33 0.00 -2.02 0.00 0.00 63.50 61.65 2giq n PRO 417 Cb 0.73 -1.54 -0.04 0.00 -0.02 0.00 0.00 33.50 32.63 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 -3.03 4.39 0.16 3.45 -4.23 -0.51 -4.92 115.64 110.95 2giq s THR 418 Ca 0.07 1.25 -0.15 0.00 -1.18 0.00 0.00 61.69 61.69 2giq s THR 418 Cb 0.10 -3.64 0.04 0.00 1.34 0.00 0.00 72.50 70.34 2giq s THR 418 CO 0.31 -0.55 1.76 0.25 -0.54 0.00 0.00 174.62 175.86 2giq h LEU 419 N 1.18 0.22 -0.21 4.79 5.85 -1.90 -2.56 115.31 122.70 2giq h LEU 419 Ca -0.48 0.03 -0.22 0.00 0.84 0.00 0.00 57.88 58.06 2giq h LEU 419 Cb 1.19 -0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.22 2giq h LEU 419 CO 0.61 0.17 -0.81 4.11 -0.34 0.00 0.00 178.44 182.18 2giq h TRP 420 N 0.36 0.91 -0.38 1.25 5.08 -1.93 -1.38 115.95 119.85 2giq h TRP 420 Ca 0.18 -0.42 -0.10 0.00 1.08 0.00 0.00 58.89 59.63 2giq h TRP 420 Cb 0.13 -0.13 -0.02 0.00 -3.00 0.00 0.00 29.16 26.14 2giq h TRP 420 CO -0.12 1.23 -0.16 0.00 -1.28 0.00 0.00 178.44 178.11 2giq h ALA 421 N 0.65 0.99 0.00 0.11 0.00 -1.79 -1.77 119.26 117.46 2giq h ALA 421 Ca -0.06 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 2giq h ALA 421 Cb 1.42 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2giq h ALA 421 CO 0.16 0.60 -0.15 0.00 0.00 0.00 0.00 179.25 179.85 2giq h ARG 422 N 0.64 0.10 0.05 0.00 3.08 -1.45 -0.77 114.38 116.03 2giq h ARG 422 Ca 0.10 -0.11 -0.25 0.00 0.07 0.00 0.00 59.98 59.79 2giq h ARG 422 Cb 0.63 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.72 2giq h ARG 422 CO 0.04 0.89 -1.07 0.52 -1.07 0.00 0.00 179.97 179.28 2giq h MET 423 N -0.64 0.42 0.00 0.04 2.86 -1.30 -3.34 114.93 112.97 2giq h MET 423 Ca -0.02 -0.52 -0.03 0.00 -2.06 0.00 0.00 59.70 57.07 2giq h MET 423 Cb 0.94 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 2giq h MET 423 CO 0.03 1.18 -0.88 -0.89 1.06 0.00 0.00 176.91 177.41 2giq n ILE 424 N -3.70 1.41 -0.11 -1.22 5.41 -0.68 -4.26 119.36 116.21 2giq n ILE 424 Ca -0.08 0.16 -0.10 0.00 1.00 0.00 0.00 62.75 63.73 2giq n ILE 424 Cb 0.91 -2.12 -0.02 0.00 -0.71 0.00 0.00 39.64 37.69 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 -0.75 0.50 -0.15 1.39 3.38 -1.33 0.13 115.31 118.47 2giq h LEU 425 Ca -0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2giq h LEU 425 Cb 0.82 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2giq h LEU 425 CO -0.03 0.60 0.04 0.24 0.09 0.00 0.00 178.44 179.37 2giq h MET 426 N 0.37 0.24 -0.02 1.13 2.86 -1.27 -1.30 114.93 116.94 2giq h MET 426 Ca 0.10 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 2giq h MET 426 Cb 0.29 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 2giq h MET 426 CO 0.00 0.39 -0.03 1.15 1.06 0.00 0.00 176.91 179.48 2giq h THR 427 N 0.05 0.91 0.17 2.22 2.02 -1.65 -1.18 112.91 115.44 2giq h THR 427 Ca 0.05 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 2giq h THR 427 Cb 0.26 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 2giq h THR 427 CO 0.00 0.00 -0.08 -0.74 0.37 0.00 0.00 175.52 175.07 2giq h HIS 428 N -0.05 -0.21 -0.07 3.16 6.17 -0.91 -2.65 115.15 120.59 2giq h HIS 428 Ca 0.02 -0.00 -0.18 0.00 0.71 0.00 0.00 60.37 60.92 2giq h HIS 428 Cb 0.08 0.07 -0.01 0.00 2.52 0.00 0.00 27.41 30.07 2giq h HIS 428 CO -0.11 0.07 -0.72 0.74 0.71 0.00 0.00 177.93 178.62 2giq h PHE 429 N -0.49 0.50 -0.29 5.26 0.04 -1.22 -2.15 116.94 118.59 2giq h PHE 429 Ca -0.02 -0.22 -0.05 0.00 2.80 0.00 0.00 57.97 60.47 2giq h PHE 429 Cb 0.38 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 2giq h PHE 429 CO 0.01 0.96 -0.06 0.74 -0.60 0.00 0.00 178.31 179.37 2giq h PHE 430 N 0.25 0.47 -0.22 -0.55 -1.00 -1.27 -0.52 116.94 114.11 2giq h PHE 430 Ca -0.03 -0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.68 2giq h PHE 430 Cb 1.29 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.70 2giq h PHE 430 CO 0.04 0.51 0.04 1.03 -1.61 0.00 0.00 178.31 178.33 2giq h SER 431 N 0.43 0.34 -0.13 2.17 0.87 -1.22 0.43 113.55 116.45 2giq h SER 431 Ca 0.09 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2giq h SER 431 Cb 0.38 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 2giq h SER 431 CO 0.02 0.50 0.08 0.40 -0.53 0.00 0.00 176.83 177.30 2giq h ILE 432 N 0.17 1.04 -0.46 2.23 2.04 -1.07 -2.48 117.51 118.97 2giq h ILE 432 Ca 0.07 -0.08 -0.09 0.00 1.00 0.00 0.00 64.86 65.76 2giq h ILE 432 Cb 0.30 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 2giq h ILE 432 CO 0.00 0.04 -0.07 -0.07 0.00 0.00 0.00 178.15 178.05 2giq h LEU 433 N 0.16 0.86 -0.39 1.44 3.38 -1.03 -2.84 115.31 116.89 2giq h LEU 433 Ca 0.05 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 57.75 2giq h LEU 433 Cb -0.01 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.42 2giq h LEU 433 CO -0.01 1.00 -0.36 -0.07 0.09 0.00 0.00 178.44 179.09 2giq h LEU 434 N 0.70 -1.18 -1.90 1.67 3.38 -0.88 0.55 115.31 117.64 2giq h LEU 434 Ca 0.12 0.20 0.10 0.00 0.09 0.00 0.00 57.88 58.39 2giq h LEU 434 Cb 0.60 0.54 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2giq h LEU 434 CO 0.04 -0.34 0.30 0.00 0.09 0.00 0.00 178.44 178.53 2giq h ALA 435 N 0.64 2.26 -0.28 1.53 0.00 -1.28 -0.50 119.26 121.63 2giq h ALA 435 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2giq h ALA 435 Cb 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2giq h ALA 435 CO -0.54 -0.37 0.00 1.04 0.00 0.00 0.00 179.25 179.38 2giq n GLN 436 N -4.44 2.46 -4.02 0.00 1.13 -0.78 -4.99 117.38 106.74 2giq n GLN 436 Ca 0.07 -2.19 -0.27 0.00 -1.94 0.00 0.00 57.00 52.67 2giq n GLN 436 Cb 0.43 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.24 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 1.46 -2.94 -0.19 -1.09 1.02 0.08 -4.90 120.64 114.09 2giq n GLU 437 Ca 0.18 0.36 0.07 0.00 -0.02 0.00 0.00 57.16 57.75 2giq n GLU 437 Cb 0.61 -4.42 0.15 0.00 -0.02 0.00 0.00 31.44 27.77 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 -4.43 2.31 -0.18 3.49 6.02 -0.57 -4.70 117.38 119.32 2giq n GLN 438 Ca -0.30 -2.39 0.12 0.00 -0.01 0.00 0.00 57.00 54.42 2giq n GLN 438 Cb 0.68 -1.48 0.44 0.00 1.02 0.00 0.00 30.24 30.89 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 0.83 0.51 -0.66 1.08 4.07 -1.91 -1.86 115.31 117.37 2giq h LEU 439 Ca 0.00 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2giq h LEU 439 Cb 1.01 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.66 2giq h LEU 439 CO 0.07 0.29 -0.32 -1.84 -1.08 0.00 0.00 178.44 175.55 2giq n GLU 440 N -4.50 0.97 -2.41 1.13 0.00 -1.26 -2.64 120.64 111.94 2giq n GLU 440 Ca 0.13 -0.66 -0.42 0.00 0.00 0.00 0.00 57.16 56.21 2giq n GLU 440 Cb 0.42 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.35 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 -2.48 4.34 0.35 3.44 2.20 -0.70 -4.90 119.74 121.99 2giq s LYS 441 Ca 0.23 1.74 -0.27 0.00 -0.36 0.00 0.00 55.97 57.31 2giq s LYS 441 Cb 0.19 -3.55 -0.09 0.00 -1.51 0.00 0.00 37.83 32.87 2giq s LYS 441 CO 0.53 -0.46 1.14 0.00 -0.36 0.00 0.00 175.35 176.20 2giq s ALA 442 N 2.19 3.26 0.07 3.13 0.00 -1.26 -4.39 121.76 124.76 2giq s ALA 442 Ca 0.58 0.93 0.06 0.00 0.00 0.00 0.00 51.96 53.53 2giq s ALA 442 Cb -0.26 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 2giq s ALA 442 CO 0.23 -0.37 -0.16 -0.51 0.00 0.00 0.00 175.76 174.95 2giq s LEU 443 N -2.10 2.26 0.02 0.00 1.43 -0.18 -4.85 118.68 115.25 2giq s LEU 443 Ca 0.52 -0.60 -0.21 0.00 -1.03 0.00 0.00 54.13 52.81 2giq s LEU 443 Cb -0.31 -0.64 -0.06 0.00 0.03 0.00 0.00 46.19 45.22 2giq s LEU 443 CO 0.39 -0.01 0.61 -1.81 0.23 0.00 0.00 176.35 175.75 2giq s ASP 444 N -1.66 7.01 0.27 2.29 1.01 -1.26 -0.27 116.67 124.07 2giq s ASP 444 Ca 0.01 1.21 0.02 0.00 0.71 0.00 0.00 52.55 54.50 2giq s ASP 444 Cb -0.10 -2.37 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 2giq s ASP 444 CO 0.03 0.13 0.14 0.00 0.21 0.00 0.00 175.17 175.68 2giq s GLN 446 N -3.93 1.80 -0.07 0.00 -0.21 -1.26 -0.81 119.66 115.18 2giq s GLN 446 Ca 0.37 -0.42 0.02 0.00 0.02 0.00 0.00 55.36 55.35 2giq s GLN 446 Cb 0.06 -1.57 0.02 0.00 1.00 0.00 0.00 33.01 32.52 2giq s GLN 446 CO 0.16 -0.06 -0.10 0.42 -2.12 0.00 0.00 175.29 173.59 2giq s ILE 447 N 0.97 1.01 -1.50 1.08 1.01 -0.53 -4.75 121.20 118.50 2giq s ILE 447 Ca -0.08 -0.38 -0.15 0.00 0.00 0.00 0.00 60.65 60.04 2giq s ILE 447 Cb -0.15 -0.95 0.12 0.00 0.01 0.00 0.00 42.46 41.49 2giq s ILE 447 CO -0.00 0.33 0.68 -1.22 0.00 0.00 0.00 174.94 174.73 2giq n TYR 448 N 4.06 -1.81 0.00 3.97 4.01 -1.26 -1.86 117.16 124.27 2giq n TYR 448 Ca -0.21 0.67 0.00 0.00 -0.16 0.00 0.00 57.90 58.19 2giq n TYR 448 Cb 0.51 -2.96 0.00 0.00 -0.31 0.00 0.00 39.34 36.58 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 -1.31 2.94 3.87 2.72 0.00 -1.26 -0.66 105.19 111.49 2giq n GLY 449 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.90 3.60 -0.17 4.61 0.00 -0.78 -4.48 121.76 122.64 2giq s ALA 450 Ca 0.00 -0.27 -0.13 0.00 0.00 0.00 0.00 51.96 51.56 2giq s ALA 450 Cb 0.00 -2.42 -0.05 0.00 0.00 0.00 0.00 23.12 20.65 2giq s ALA 450 CO 0.00 0.51 0.25 0.00 0.00 0.00 0.00 175.76 176.52 2giq s TYR 452 N 0.40 2.05 -0.30 0.00 1.51 0.01 -0.15 117.35 120.86 2giq s TYR 452 Ca 0.14 -0.39 -0.12 0.00 -1.01 0.00 0.00 57.07 55.70 2giq s TYR 452 Cb -0.12 -1.30 -0.04 0.00 -0.11 0.00 0.00 41.96 40.39 2giq s TYR 452 CO 0.02 -0.01 0.21 0.45 -1.11 0.00 0.00 175.55 175.12 2giq s SER 453 N -0.65 6.04 -0.03 2.29 0.15 -1.26 -0.77 113.70 119.46 2giq s SER 453 Ca 0.09 -0.16 0.01 0.00 0.70 0.00 0.00 55.95 56.59 2giq s SER 453 Cb -0.09 -2.13 0.01 0.00 -1.71 0.00 0.00 66.02 62.11 2giq s SER 453 CO -0.00 -0.12 -0.04 -0.63 1.20 0.00 0.00 173.24 173.65 2giq s ILE 454 N 1.75 0.43 -0.20 6.45 1.01 0.63 -4.86 121.20 126.41 2giq s ILE 454 Ca 0.07 -0.12 -0.26 0.00 0.00 0.00 0.00 60.65 60.34 2giq s ILE 454 Cb -0.17 -0.44 -0.01 0.00 0.01 0.00 0.00 42.46 41.86 2giq s ILE 454 CO 0.11 0.18 0.88 -1.61 0.00 0.00 0.00 174.94 174.49 2giq s GLU 455 N 0.59 4.27 0.41 2.79 2.02 -1.26 -1.01 118.70 126.50 2giq s GLU 455 Ca -0.07 1.08 0.20 0.00 0.02 0.00 0.00 54.97 56.20 2giq s GLU 455 Cb -0.10 -3.60 1.14 0.00 0.10 0.00 0.00 34.13 31.67 2giq s GLU 455 CO -0.00 -0.43 1.76 -1.35 0.02 0.00 0.00 175.26 175.26 2giq h PRO 456 N 7.43 0.34 0.00 0.39 0.11 -1.76 0.43 132.00 138.95 2giq h PRO 456 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2giq h PRO 456 Cb 1.11 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2giq h PRO 456 CO 0.87 0.23 0.00 -0.07 -0.21 0.00 0.00 178.00 178.82 2giq h LEU 457 N 0.36 0.00 -1.09 2.35 3.38 -1.87 -1.46 115.31 116.98 2giq h LEU 457 Ca 0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.58 2giq h LEU 457 Cb 1.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.36 2giq h LEU 457 CO -0.30 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.70 2giq n ASP 458 N -2.50 1.65 -0.26 -0.43 8.00 0.14 -4.50 116.55 118.64 2giq n ASP 458 Ca -0.00 -1.65 -0.01 0.00 0.71 0.00 0.00 54.79 53.83 2giq n ASP 458 Cb 0.14 -0.07 0.11 0.00 -0.02 0.00 0.00 41.12 41.27 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 2.30 0.70 -0.39 0.64 3.38 -1.38 -1.72 115.31 118.84 2giq h LEU 459 Ca 0.00 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.05 2giq h LEU 459 Cb 0.50 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 2giq h LEU 459 CO 0.00 0.46 0.03 -0.65 0.09 0.00 0.00 178.44 178.38 2giq h PRO 460 N 0.84 0.14 -0.59 1.13 0.11 -1.83 0.18 132.00 131.99 2giq h PRO 460 Ca 0.32 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.31 2giq h PRO 460 Cb 0.12 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 2giq h PRO 460 CO -0.15 0.09 -0.05 1.96 -0.21 0.00 0.00 178.00 179.64 2giq h GLN 461 N 0.15 1.07 -0.41 1.05 7.50 -1.81 -1.04 115.11 121.61 2giq h GLN 461 Ca 0.19 -0.37 -0.03 0.00 0.50 0.00 0.00 58.65 58.94 2giq h GLN 461 Cb 0.25 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 27.68 2giq h GLN 461 CO -0.29 1.07 0.13 0.82 -1.50 0.00 0.00 178.83 179.06 2giq h ILE 462 N 0.96 1.21 -0.40 2.54 2.04 -0.89 -1.95 117.51 121.03 2giq h ILE 462 Ca 0.16 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 2giq h ILE 462 Cb 0.62 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 2giq h ILE 462 CO 0.04 0.25 0.12 0.40 0.00 0.00 0.00 178.15 178.95 2giq h ILE 463 N 0.52 1.22 -0.68 -0.67 2.04 -0.47 -1.56 117.51 117.92 2giq h ILE 463 Ca 0.13 -0.73 0.04 0.00 1.00 0.00 0.00 64.86 65.30 2giq h ILE 463 Cb 0.25 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 2giq h ILE 463 CO -0.01 0.26 0.40 -0.08 0.00 0.00 0.00 178.15 178.72 2giq h GLU 464 N 0.50 0.75 -0.46 2.37 4.81 -1.12 0.15 114.58 121.58 2giq h GLU 464 Ca 0.13 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.20 2giq h GLU 464 Cb 0.28 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2giq h GLU 464 CO -0.00 0.50 -0.16 -0.09 -0.73 0.00 0.00 179.01 178.52 2giq h ARG 465 N 0.77 0.88 0.18 1.92 9.65 -1.10 0.16 114.38 126.84 2giq h ARG 465 Ca 0.28 -0.33 -0.25 0.00 -1.10 0.00 0.00 59.98 58.58 2giq h ARG 465 Cb 0.09 -0.05 0.02 0.00 -1.39 0.00 0.00 29.97 28.64 2giq h ARG 465 CO -0.14 0.98 -1.15 -0.07 2.80 0.00 0.00 179.97 182.39 2giq h LEU 466 N 0.78 0.60 0.00 3.80 3.38 -0.96 -3.41 115.31 119.49 2giq h LEU 466 Ca 0.12 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.15 2giq h LEU 466 Cb 0.69 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2giq h LEU 466 CO 0.05 1.54 -1.15 1.41 0.09 0.00 0.00 178.44 180.38 2giq n HIS 467 N -3.94 0.00 0.00 1.13 8.25 0.50 -4.66 115.22 116.50 2giq n HIS 467 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 2giq n HIS 467 Cb 0.94 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.91 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 1.93 -1.07 0.25 -1.41 0.00 0.54 -4.48 105.19 100.94 2giq n GLY 468 Ca -0.01 -1.63 0.17 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.15 0.99 3.38 -1.89 -2.83 115.31 112.82 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 0.00 -0.06 0.77 0.09 0.00 0.00 178.44 179.24 2giq h SER 470 N 0.00 0.00 -0.00 -0.43 4.64 -1.96 -2.05 113.55 113.74 2giq h SER 470 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2giq h SER 470 Cb 0.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2giq h SER 470 CO 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 2giq h ALA 471 N 1.94 1.28 -0.10 5.18 0.00 -1.72 -1.49 119.26 124.36 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 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2giq h ALA 471 CO 0.01 -0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.45 2giq n PHE 472 N -3.49 0.10 -0.00 0.00 3.72 -0.77 -4.44 117.46 112.57 2giq n PHE 472 Ca -0.03 -0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2giq n PHE 472 Cb 0.08 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.78 0.00 -4.74 4.37 7.64 -0.63 -4.51 113.62 116.53 2giq n SER 473 Ca 0.17 -0.28 -0.40 0.00 1.01 0.00 0.00 58.87 59.37 2giq n SER 473 Cb 0.47 0.56 0.02 0.00 -1.01 0.00 0.00 64.21 64.26 2giq n SER 473 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2giq n LEU 474 N -0.56 4.92 -3.84 -3.43 4.77 -0.79 -4.08 117.00 113.99 2giq n LEU 474 Ca 0.00 1.08 -0.09 0.00 -0.03 0.00 0.00 56.01 56.97 2giq n LEU 474 Cb 0.00 -1.57 0.02 0.00 -2.33 0.00 0.00 43.42 39.54 2giq n LEU 474 CO 0.00 -0.38 0.49 -1.38 -1.33 0.00 0.00 177.39 174.79 2giq s HIS 475 N -1.22 0.20 -0.96 -1.77 -3.43 0.43 -4.97 115.29 103.58 2giq s HIS 475 Ca 0.63 -0.82 -0.10 0.00 -0.80 0.00 0.00 55.06 53.97 2giq s HIS 475 Cb -0.46 0.75 -0.01 0.00 -1.43 0.00 0.00 32.58 31.43 2giq s HIS 475 CO 0.56 -1.52 0.74 0.43 -2.00 0.00 0.00 174.74 172.95 2giq n SER 476 N -1.37 -5.97 -4.78 7.38 7.64 -1.26 -0.42 113.62 114.84 2giq n SER 476 Ca -0.07 -0.74 -0.30 0.00 1.01 0.00 0.00 58.87 58.76 2giq n SER 476 Cb 0.60 -3.62 0.09 0.00 -1.01 0.00 0.00 64.21 60.27 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 -3.23 2.72 0.47 1.43 1.51 -1.26 -3.74 117.35 115.24 2giq s TYR 477 Ca 0.25 1.32 -0.22 0.00 -1.01 0.00 0.00 57.07 57.41 2giq s TYR 477 Cb -0.08 -3.06 -0.07 0.00 -0.11 0.00 0.00 41.96 38.63 2giq s TYR 477 CO 0.83 -1.81 1.12 -1.54 -1.11 0.00 0.00 175.55 173.04 2giq s SER 478 N -3.66 6.20 0.29 2.29 1.04 -1.18 -4.85 113.70 113.83 2giq s SER 478 Ca 0.61 2.17 0.03 0.00 0.48 0.00 0.00 55.95 59.24 2giq s SER 478 Cb -0.16 -2.59 0.65 0.00 0.10 0.00 0.00 66.02 64.02 2giq s SER 478 CO 0.55 -0.89 1.79 -0.65 0.98 0.00 0.00 173.24 175.03 2giq h PRO 479 N 1.85 0.80 -0.36 4.02 0.11 -1.94 -0.83 132.00 135.65 2giq h PRO 479 Ca -0.49 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.61 2giq h PRO 479 Cb 1.24 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 2giq h PRO 479 CO 0.60 0.53 0.14 0.78 -0.21 0.00 0.00 178.00 179.84 2giq h GLY 480 N 0.82 0.47 0.89 -0.55 0.00 -1.99 0.68 103.07 103.40 2giq h GLY 480 Ca 0.54 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.72 2giq h GLY 480 CO -0.34 0.05 -0.04 -2.09 0.00 0.00 0.00 176.54 174.11 2giq h GLU 481 N 0.30 0.56 -0.38 4.80 4.57 -1.78 -1.34 114.58 121.31 2giq h GLU 481 Ca 0.16 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2giq h GLU 481 Cb 0.12 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 2giq h GLU 481 CO -0.15 0.74 0.21 0.82 -1.18 0.00 0.00 179.01 179.44 2giq h ILE 482 N 0.34 1.15 -0.49 2.32 2.04 -1.07 -1.71 117.51 120.10 2giq h ILE 482 Ca 0.08 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 2giq h ILE 482 Cb 0.51 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2giq h ILE 482 CO 0.02 0.15 0.11 0.78 0.00 0.00 0.00 178.15 179.22 2giq h ASN 483 N 0.48 0.69 -0.19 1.72 2.35 -0.79 -0.48 115.58 119.35 2giq h ASN 483 Ca 0.13 -0.12 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 2giq h ASN 483 Cb 0.06 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 2giq h ASN 483 CO -0.02 0.68 -0.09 -0.09 -1.65 0.00 0.00 177.43 176.27 2giq h ARG 484 N 0.71 0.40 0.02 0.81 2.43 -1.03 -1.62 114.38 116.10 2giq h ARG 484 Ca 0.16 -0.17 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2giq h ARG 484 Cb 0.28 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2giq h ARG 484 CO -0.00 0.69 -0.11 0.28 -1.51 0.00 0.00 179.97 179.32 2giq h VAL 485 N 0.10 0.73 -0.90 0.20 2.07 -1.09 -1.67 116.25 115.68 2giq h VAL 485 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2giq h VAL 485 Cb 0.57 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 2giq h VAL 485 CO 0.03 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.19 2giq h ALA 486 N 0.76 1.15 -0.29 1.67 0.00 -1.03 -1.64 119.26 119.89 2giq h ALA 486 Ca 0.04 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 2giq h ALA 486 Cb 0.23 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2giq h ALA 486 CO -0.10 0.58 -0.31 0.66 0.00 0.00 0.00 179.25 180.08 2giq h SER 487 N 1.24 0.63 -0.66 0.00 4.64 -1.13 -2.20 113.55 116.06 2giq h SER 487 Ca 0.33 -0.25 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 2giq h SER 487 Cb -0.09 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 61.79 2giq h SER 487 CO -0.07 0.90 0.29 0.00 -0.87 0.00 0.00 176.83 177.09 2giq h LEU 489 N 0.98 0.63 -0.75 0.00 3.38 -1.07 -1.49 115.31 116.98 2giq h LEU 489 Ca 0.23 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2giq h LEU 489 Cb 0.16 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2giq h LEU 489 CO -0.02 0.66 0.39 0.03 0.09 0.00 0.00 178.44 179.58 2giq h ARG 490 N 0.56 1.07 -0.39 1.13 3.08 -1.09 0.14 114.38 118.89 2giq h ARG 490 Ca 0.14 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 60.06 2giq h ARG 490 Cb 0.25 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 2giq h ARG 490 CO -0.01 0.82 0.23 -0.22 -1.07 0.00 0.00 179.97 179.72 2giq h LYS 491 N 1.05 0.45 -0.00 0.04 3.64 -0.84 -2.91 116.57 118.00 2giq h LYS 491 Ca 0.26 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2giq h LYS 491 Cb 0.08 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2giq h LYS 491 CO -0.04 0.30 -0.30 1.28 -2.27 0.00 0.00 179.45 178.42 2giq n LEU 492 N -4.87 0.77 -2.20 5.20 4.32 -0.58 -4.90 117.00 114.75 2giq n LEU 492 Ca 0.01 -0.13 -0.12 0.00 -0.02 0.00 0.00 56.01 55.75 2giq n LEU 492 Cb 0.06 -0.18 0.04 0.00 -1.62 0.00 0.00 43.42 41.72 2giq n LEU 492 CO 0.33 0.15 0.12 0.61 -1.22 0.00 0.00 177.39 177.38 2giq n GLY 493 N 1.39 0.12 3.84 -0.72 0.00 0.18 -1.95 105.19 108.05 2giq n GLY 493 Ca 0.10 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.18 5.01 0.53 1.61 1.01 0.25 -0.98 120.40 124.64 2giq s VAL 494 Ca 0.27 0.83 -0.21 0.00 0.00 0.00 0.00 61.98 62.86 2giq s VAL 494 Cb -0.12 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.47 2giq s VAL 494 CO 0.39 0.54 1.03 -2.65 0.00 0.00 0.00 175.10 174.42 2giq n PRO 495 N 1.69 1.20 -1.07 2.72 -0.02 -1.26 -4.51 135.00 133.74 2giq n PRO 495 Ca -0.13 0.44 -0.30 0.00 -2.02 0.00 0.00 63.50 61.50 2giq n PRO 495 Cb 0.52 -2.18 0.15 0.00 -0.02 0.00 0.00 33.50 31.97 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 -2.49 1.09 0.49 0.52 0.04 -1.26 -4.81 135.00 128.59 2giq s PRO 496 Ca 0.70 0.96 0.18 0.00 0.04 0.00 0.00 61.00 62.88 2giq s PRO 496 Cb -0.46 -1.78 1.20 0.00 0.04 0.00 0.00 34.50 33.50 2giq s PRO 496 CO 0.51 -2.39 2.03 -0.07 0.04 0.00 0.00 177.00 177.12 2giq h LEU 497 N -1.67 0.16 -1.27 -3.56 3.38 -1.98 -1.32 115.31 109.05 2giq h LEU 497 Ca -0.49 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 2giq h LEU 497 Cb 1.28 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 2giq h LEU 497 CO 0.52 0.10 0.09 0.08 0.09 0.00 0.00 178.44 179.32 2giq h ARG 498 N 0.18 0.59 -0.46 1.13 0.11 -2.00 -0.63 114.38 113.29 2giq h ARG 498 Ca 0.19 -0.10 -0.08 0.00 0.10 0.00 0.00 59.98 60.09 2giq h ARG 498 Cb 0.53 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 31.49 2giq h ARG 498 CO -0.03 0.55 -0.01 0.28 0.10 0.00 0.00 179.97 180.85 2giq h VAL 499 N 0.57 1.26 -0.59 0.08 2.07 -1.58 -2.72 116.25 115.35 2giq h VAL 499 Ca 0.13 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.52 2giq h VAL 499 Cb 0.23 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2giq h VAL 499 CO -0.00 0.37 0.17 -0.50 0.02 0.00 0.00 177.57 177.63 2giq h TRP 500 N 0.67 0.92 -0.35 1.57 4.06 -1.25 -0.90 115.95 120.67 2giq h TRP 500 Ca 0.13 -0.08 -0.01 0.00 2.06 0.00 0.00 58.89 60.99 2giq h TRP 500 Cb 0.52 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 28.40 2giq h TRP 500 CO 0.04 0.75 0.20 -0.09 -3.56 0.00 0.00 178.44 175.78 2giq h ARG 501 N 0.86 0.48 -0.48 0.49 2.43 -1.02 0.65 114.38 117.80 2giq h ARG 501 Ca 0.19 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.37 2giq h ARG 501 Cb 0.27 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 2giq h ARG 501 CO -0.01 0.39 0.19 1.25 -1.51 0.00 0.00 179.97 180.29 2giq h HIS 502 N 0.45 0.34 -0.52 2.20 2.76 -1.14 -2.50 115.15 116.74 2giq h HIS 502 Ca 0.12 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.23 2giq h HIS 502 Cb 0.04 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 28.90 2giq h HIS 502 CO -0.03 0.13 -0.03 0.00 -1.30 0.00 0.00 177.93 176.70 2giq h ARG 503 N 0.38 0.90 -0.35 5.26 3.08 -0.80 -3.05 114.38 119.79 2giq h ARG 503 Ca 0.23 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 2giq h ARG 503 Cb 0.21 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 2giq h ARG 503 CO -0.21 0.91 0.00 0.00 -1.07 0.00 0.00 179.97 179.60 2giq h ALA 504 N 1.13 1.35 -0.75 0.04 0.00 -0.49 0.23 119.26 120.77 2giq h ALA 504 Ca 0.15 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2giq h ALA 504 Cb 0.54 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2giq h ALA 504 CO 0.03 0.45 0.49 0.00 0.00 0.00 0.00 179.25 180.22 2giq h ARG 505 N 0.52 0.99 0.10 0.00 3.08 -1.35 0.18 114.38 117.90 2giq h ARG 505 Ca 0.11 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2giq h ARG 505 Cb 0.34 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2giq h ARG 505 CO 0.01 0.66 -0.05 1.03 -1.07 0.00 0.00 179.97 180.55 2giq h SER 506 N 1.02 -0.12 -0.88 7.04 0.87 -1.33 -1.95 113.55 118.20 2giq h SER 506 Ca 0.27 -0.16 0.03 0.00 -1.23 0.00 0.00 61.79 60.70 2giq h SER 506 Cb -0.11 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 61.83 2giq h SER 506 CO -0.06 0.09 0.57 0.58 -0.53 0.00 0.00 176.83 177.49 2giq h VAL 507 N -0.33 1.16 -0.35 2.23 2.07 -0.78 -0.39 116.25 119.86 2giq h VAL 507 Ca -0.01 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2giq h VAL 507 Cb 0.27 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 2giq h VAL 507 CO 0.02 0.21 0.23 -0.09 0.02 0.00 0.00 177.57 177.96 2giq h ARG 508 N 1.12 0.46 -0.43 1.57 2.43 -0.60 -0.89 114.38 118.04 2giq h ARG 508 Ca 0.34 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.40 2giq h ARG 508 Cb -0.03 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 2giq h ARG 508 CO -0.11 0.30 -0.07 0.00 -1.51 0.00 0.00 179.97 178.59 2giq h ALA 509 N 1.13 1.07 -0.59 2.80 0.00 -0.79 -1.32 119.26 121.56 2giq h ALA 509 Ca 0.13 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2giq h ALA 509 Cb -0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2giq h ALA 509 CO -0.03 0.58 -0.02 0.00 0.00 0.00 0.00 179.25 179.78 2giq h ARG 510 N 0.69 1.05 -0.31 0.00 3.08 -0.70 -2.17 114.38 116.01 2giq h ARG 510 Ca 0.12 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.79 2giq h ARG 510 Cb 0.52 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2giq h ARG 510 CO 0.03 1.03 0.01 -0.07 -1.07 0.00 0.00 179.97 179.91 2giq h LEU 511 N 0.95 0.52 -1.37 3.04 3.38 -0.96 -2.97 115.31 117.91 2giq h LEU 511 Ca 0.17 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.90 2giq h LEU 511 Cb 0.58 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 2giq h LEU 511 CO 0.03 0.69 0.48 -0.07 0.09 0.00 0.00 178.44 179.67 2giq h LEU 512 N 0.34 0.68 -1.65 1.67 3.38 -1.20 -1.55 115.31 116.98 2giq h LEU 512 Ca 0.09 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2giq h LEU 512 Cb 0.42 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2giq h LEU 512 CO 0.01 0.44 -0.17 0.77 0.09 0.00 0.00 178.44 179.58 2giq h SER 513 N 0.77 0.01 1.04 -0.43 4.64 -1.24 -2.89 113.55 115.45 2giq h SER 513 Ca 0.31 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.59 2giq h SER 513 Cb 0.25 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2giq h SER 513 CO -0.10 0.18 -0.22 1.56 -0.87 0.00 0.00 176.83 177.37 2giq h GLN 514 N 0.01 0.00 -1.49 4.77 1.08 -1.14 -3.50 115.11 114.84 2giq h GLN 514 Ca -0.00 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.37 2giq h GLN 514 Cb 0.31 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.68 2giq h GLN 514 CO 0.02 0.22 -0.34 0.41 -0.95 0.00 0.00 178.83 178.19 2giq n GLY 515 N 0.29 -1.98 7.00 3.46 0.00 -1.09 -4.86 105.19 108.00 2giq n GLY 515 Ca 0.01 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.98 1.46 0.32 -0.02 0.00 -1.26 -2.61 105.19 100.11 2giq n GLY 516 Ca -0.01 -0.66 0.04 0.00 0.00 0.00 0.00 46.02 45.39 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 0.66 -0.43 1.61 3.08 -1.94 -2.19 114.38 115.17 2giq h ARG 517 Ca 0.00 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.06 2giq h ARG 517 Cb 0.00 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.86 2giq h ARG 517 CO 0.00 0.44 0.18 0.00 -1.07 0.00 0.00 179.97 179.52 2giq h ALA 518 N 1.68 0.53 -0.48 0.04 0.00 -1.83 -0.96 119.26 118.24 2giq h ALA 518 Ca 0.20 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2giq h ALA 518 Cb -0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2giq h ALA 518 CO -0.05 -0.19 0.07 0.00 0.00 0.00 0.00 179.25 179.08 2giq h ALA 519 N 1.26 1.21 -0.64 0.00 0.00 -1.15 -1.39 119.26 118.54 2giq h ALA 519 Ca 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2giq h ALA 519 Cb 0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2giq h ALA 519 CO -0.17 0.53 0.35 1.15 0.00 0.00 0.00 179.25 181.11 2giq h THR 520 N 0.73 1.20 -0.46 0.00 2.02 -0.98 0.63 112.91 116.05 2giq h THR 520 Ca 0.15 -0.52 0.04 0.00 0.77 0.00 0.00 66.41 66.86 2giq h THR 520 Cb 0.35 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 2giq h THR 520 CO 0.01 0.22 0.21 0.00 0.37 0.00 0.00 175.52 176.33 2giq h GLY 522 N 0.42 -0.03 0.98 0.00 0.00 -0.74 -0.08 103.07 103.63 2giq h GLY 522 Ca 0.21 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 2giq h GLY 522 CO -0.17 -0.04 -0.07 1.70 0.00 0.00 0.00 176.54 177.96 2giq h LYS 523 N -0.06 -0.18 0.05 4.80 3.64 -0.67 -2.81 116.57 121.33 2giq h LYS 523 Ca 0.02 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.27 2giq h LYS 523 Cb 0.08 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2giq h LYS 523 CO -0.04 -0.10 -0.69 1.88 -2.27 0.00 0.00 179.45 178.22 2giq h TYR 524 N -0.22 0.21 0.00 1.91 -1.99 -1.02 -3.14 116.97 112.71 2giq h TYR 524 Ca -0.02 -0.15 -0.08 0.00 2.00 0.00 0.00 58.73 60.48 2giq h TYR 524 Cb 0.17 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.88 2giq h TYR 524 CO -0.06 1.27 -0.37 -0.07 -0.00 0.00 0.00 178.16 178.93 2giq h LEU 525 N -0.73 0.00 -2.90 3.88 3.38 -1.14 -3.32 115.31 114.49 2giq h LEU 525 Ca -0.16 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2giq h LEU 525 Cb 1.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 2giq h LEU 525 CO 0.00 0.37 -0.15 0.49 0.09 0.00 0.00 178.44 179.25 2giq n PHE 526 N -3.66 0.00 0.18 1.13 3.72 -1.06 -4.65 117.46 113.11 2giq n PHE 526 Ca -0.01 -0.97 0.07 0.00 -0.05 0.00 0.00 57.45 56.49 2giq n PHE 526 Cb 0.47 -0.16 0.57 0.00 -0.94 0.00 0.00 39.48 39.43 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 0.17 0.14 0.05 4.37 -0.00 -1.64 -2.01 115.58 116.66 2giq h ASN 527 Ca -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.29 2giq h ASN 527 Cb 1.06 -0.04 -0.00 0.00 -0.00 0.00 0.00 38.32 39.34 2giq h ASN 527 CO 0.00 0.11 -0.01 4.11 -0.00 0.00 0.00 177.43 181.64 2giq h TRP 528 N 0.17 0.00 0.00 0.67 5.08 -1.83 -2.97 115.95 117.07 2giq h TRP 528 Ca 0.04 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.01 2giq h TRP 528 Cb -0.01 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.15 2giq h TRP 528 CO 0.00 0.01 -0.42 0.00 -1.28 0.00 0.00 178.44 176.75 2giq n ALA 529 N -2.25 3.05 -2.90 0.11 0.00 -0.76 -4.86 120.51 112.90 2giq n ALA 529 Ca -0.03 -0.25 -0.28 0.00 0.00 0.00 0.00 53.44 52.88 2giq n ALA 529 Cb 0.09 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.29 2giq n ALA 529 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2giq s VAL 530 N -3.06 5.16 0.03 0.00 -7.23 -1.12 -4.76 120.40 109.42 2giq s VAL 530 Ca 0.10 -0.67 -0.16 0.00 -1.81 0.00 0.00 61.98 59.44 2giq s VAL 530 Cb 0.16 -3.61 -0.29 0.00 0.56 0.00 0.00 36.38 33.20 2giq s VAL 530 CO 0.67 -0.02 1.07 0.07 -0.31 0.00 0.00 175.10 176.58 2giq h LYS 531 N 2.52 0.56 -4.10 4.82 2.10 -1.89 -3.39 116.57 117.18 2giq h LYS 531 Ca -0.47 -0.76 -0.76 0.00 -2.00 0.00 0.00 60.65 56.66 2giq h LYS 531 Cb 1.18 0.25 -0.24 0.00 -0.90 0.00 0.00 32.23 32.53 2giq h LYS 531 CO 0.70 1.34 -0.23 -0.08 -2.00 0.00 0.00 179.45 179.18 2giq s THR 532 N -2.92 5.20 0.51 0.07 -1.32 -1.26 -5.06 115.64 110.86 2giq s THR 532 Ca -0.10 -1.48 -0.21 0.00 -1.21 0.00 0.00 61.69 58.69 2giq s THR 532 Cb 0.05 -4.32 -0.07 0.00 -1.51 0.00 0.00 72.50 66.65 2giq s THR 532 CO 0.91 -0.85 1.12 -0.54 -2.21 0.00 0.00 174.62 173.04 2giq s LYS 533 N 1.60 3.55 0.47 7.08 3.01 -1.26 -5.06 119.74 129.13 2giq s LYS 533 Ca 0.03 1.60 -0.03 0.00 -1.01 0.00 0.00 55.97 56.56 2giq s LYS 533 Cb -0.30 -2.13 -0.02 0.00 -1.01 0.00 0.00 37.83 34.37 2giq s LYS 533 CO 0.03 -0.69 0.75 -0.51 0.51 0.00 0.00 175.35 175.44 2giq s LEU 534 N -3.53 3.62 0.12 3.17 1.02 -1.26 -5.04 118.68 116.78 2giq s LEU 534 Ca 0.69 0.69 -0.23 0.00 0.02 0.00 0.00 54.13 55.30 2giq s LEU 534 Cb -0.24 -3.59 -0.05 0.00 0.02 0.00 0.00 46.19 42.33 2giq s LEU 534 CO 0.27 -0.65 1.68 0.07 0.02 0.00 0.00 176.35 177.75 2giq h LYS 535 N 0.27 -0.18 -4.78 1.70 5.09 -1.99 -3.49 116.57 113.18 2giq h LYS 535 Ca -0.47 0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.29 2giq h LYS 535 Cb 1.23 0.04 -0.06 0.00 0.10 0.00 0.00 32.23 33.53 2giq h LYS 535 CO 0.61 -0.12 -1.15 1.28 -2.09 0.00 0.00 179.45 177.97 2giq n LEU 536 N -5.27 -6.37 -4.88 7.07 4.32 -1.26 -5.08 117.00 105.53 2giq n LEU 536 Ca -0.04 1.66 -0.21 0.00 -0.02 0.00 0.00 56.01 57.41 2giq n LEU 536 Cb 0.19 -3.02 -0.03 0.00 -1.62 0.00 0.00 43.42 38.94 2giq n LEU 536 CO 0.25 -3.20 -0.05 0.42 -1.22 0.00 0.00 177.39 173.59 2giq s THR 537 N -0.97 3.57 0.30 -5.08 -4.23 -1.26 -5.06 115.64 102.90 2giq s THR 537 Ca -0.14 -1.30 -0.30 0.00 -1.18 0.00 0.00 61.69 58.78 2giq s THR 537 Cb 0.01 -3.21 -0.12 0.00 1.34 0.00 0.00 72.50 70.52 2giq s THR 537 CO 0.69 -0.16 1.44 -2.65 -0.54 0.00 0.00 174.62 173.40 2giq n PRO 538 N -1.44 2.33 -2.80 3.99 -0.02 -1.26 -4.93 135.00 130.87 2giq n PRO 538 Ca -0.01 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 61.87 2giq n PRO 538 Cb 0.60 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 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 -0.44 4.79 0.30 4.25 1.01 -1.26 -4.95 121.20 124.90 2giq s ILE 539 Ca 0.62 1.77 0.04 0.00 0.00 0.00 0.00 60.65 63.08 2giq s ILE 539 Cb -0.56 -4.20 0.30 0.00 0.01 0.00 0.00 42.46 38.00 2giq s ILE 539 CO 0.54 -0.08 1.82 -0.65 0.00 0.00 0.00 174.94 176.58 2giq h PRO 540 N 7.48 0.84 -0.02 2.79 0.11 -2.02 -0.04 132.00 141.14 2giq h PRO 540 Ca -0.24 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 2giq h PRO 540 Cb 1.10 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 2giq h PRO 540 CO 0.90 0.56 -0.07 0.00 -0.21 0.00 0.00 178.00 179.17 2giq h ALA 541 N 1.58 1.84 -0.67 -0.75 0.00 -2.00 -2.94 119.26 116.32 2giq h ALA 541 Ca 0.51 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 2giq h ALA 541 Cb 0.66 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2giq h ALA 541 CO -0.29 0.12 0.24 0.00 0.00 0.00 0.00 179.25 179.32 2giq h ALA 542 N 1.90 1.15 0.00 0.00 0.00 -1.29 -1.21 119.26 119.81 2giq h ALA 542 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2giq h ALA 542 Cb 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2giq h ALA 542 CO 0.01 0.60 0.00 -1.13 0.00 0.00 0.00 179.25 178.73 2giq n SER 543 N -4.28 0.00 -0.03 0.00 3.41 -1.11 -3.19 113.62 108.42 2giq n SER 543 Ca 0.06 0.49 0.06 0.00 -0.26 0.00 0.00 58.87 59.22 2giq n SER 543 Cb 0.20 -0.50 -0.16 0.00 -0.26 0.00 0.00 64.21 63.49 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 -1.50 0.67 -1.74 4.33 5.12 -0.48 -5.01 116.66 118.06 2giq n ARG 544 Ca 0.03 -0.15 -0.42 0.00 -1.93 0.00 0.00 57.85 55.38 2giq n ARG 544 Cb 0.15 -1.51 -0.02 0.00 -1.16 0.00 0.00 32.46 29.92 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 -4.71 4.36 -0.92 0.55 1.43 -1.05 -4.92 118.68 113.42 2giq s LEU 545 Ca -0.08 2.92 -0.22 0.00 -1.03 0.00 0.00 54.13 55.72 2giq s LEU 545 Cb 0.12 -3.62 0.08 0.00 0.03 0.00 0.00 46.19 42.80 2giq s LEU 545 CO 0.87 -0.96 1.26 -0.62 0.23 0.00 0.00 176.35 177.13 2giq s ASP 546 N 0.88 6.47 -0.41 2.29 -1.08 -1.26 -4.79 116.67 118.76 2giq s ASP 546 Ca 0.70 -1.49 0.05 0.00 -0.52 0.00 0.00 52.55 51.29 2giq s ASP 546 Cb -0.49 -2.49 0.64 0.00 -1.46 0.00 0.00 42.92 39.12 2giq s ASP 546 CO 0.39 -1.39 1.82 0.18 0.52 0.00 0.00 175.17 176.70 2giq n LEU 547 N 8.00 6.19 -4.76 -1.34 4.32 -1.26 -4.96 117.00 123.19 2giq n LEU 547 Ca 0.22 -3.62 -0.40 0.00 -0.02 0.00 0.00 56.01 52.19 2giq n LEU 547 Cb 0.49 -0.79 -0.03 0.00 -1.62 0.00 0.00 43.42 41.47 2giq n LEU 547 CO 0.61 1.08 0.87 -0.94 -1.22 0.00 0.00 177.39 177.79 2giq s SER 548 N -1.54 6.97 0.00 -1.43 1.04 -1.26 -2.73 113.70 114.75 2giq s SER 548 Ca 0.54 2.44 0.00 0.00 0.48 0.00 0.00 55.95 59.41 2giq s SER 548 Cb 0.46 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.95 2giq s SER 548 CO 0.09 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.55 2giq n GLY 549 N 0.95 2.97 3.70 7.32 0.00 -1.26 -5.04 105.19 113.83 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 -2.33 3.46 -1.18 1.61 0.52 -1.11 -4.06 118.94 115.85 2giq s TRP 550 Ca 0.00 1.48 -0.03 0.00 0.02 0.00 0.00 56.10 57.57 2giq s TRP 550 Cb 0.00 -3.27 -0.02 0.00 -1.15 0.00 0.00 33.47 29.03 2giq s TRP 550 CO 0.00 -0.61 0.88 1.19 0.02 0.00 0.00 176.95 178.43 2giq n PHE 551 N 4.56 -2.17 -0.07 -1.98 3.72 -1.26 -4.94 117.46 115.33 2giq n PHE 551 Ca 0.09 0.85 -0.14 0.00 -0.05 0.00 0.00 57.45 58.20 2giq n PHE 551 Cb 0.48 -4.52 -0.05 0.00 -0.94 0.00 0.00 39.48 34.46 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 -3.93 1.16 -3.97 -4.37 0.31 -1.22 -4.34 118.33 101.97 2giq n VAL 552 Ca -0.22 -0.05 -0.10 0.00 -0.01 0.00 0.00 64.34 63.97 2giq n VAL 552 Cb 0.65 -1.89 -0.07 0.00 -0.91 0.00 0.00 33.84 31.63 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 -2.44 0.02 0.05 3.52 0.00 -1.25 -3.77 121.76 117.90 2giq s ALA 553 Ca -0.22 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 50.71 2giq s ALA 553 Cb 0.07 0.88 -0.06 0.00 0.00 0.00 0.00 23.12 24.01 2giq s ALA 553 CO 0.30 -0.65 0.42 0.20 0.00 0.00 0.00 175.76 176.03 2giq s GLY 554 N -2.97 2.41 -0.01 0.00 0.00 -1.26 -4.94 107.32 100.55 2giq s GLY 554 Ca 0.18 -0.28 0.25 0.00 0.00 0.00 0.00 44.72 44.87 2giq s GLY 554 CO 0.01 0.01 1.17 -1.72 0.00 0.00 0.00 173.10 172.56 2giq n TYR 555 N 1.28 0.02 -1.67 1.90 4.01 0.17 -4.52 117.16 118.35 2giq n TYR 555 Ca -0.10 -0.57 -0.51 0.00 -0.16 0.00 0.00 57.90 56.56 2giq n TYR 555 Cb 0.52 -0.16 -0.05 0.00 -0.31 0.00 0.00 39.34 39.34 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 0.41 2.79 0.00 7.72 2.88 -1.25 -0.22 113.62 125.95 2giq n SER 556 Ca 0.07 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 2giq n SER 556 Cb 1.12 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 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 3.83 0.76 0.49 0.46 0.00 -1.26 -4.14 105.19 105.33 2giq n GLY 557 Ca 0.22 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.07 0.06 3.33 -0.02 0.00 0.69 -2.84 105.19 104.34 2giq n GLY 558 Ca 0.00 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.43 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 0.19 -2.44 -4.47 1.61 2.03 -1.26 -4.62 116.55 107.59 2giq n ASP 559 Ca 0.18 -0.58 -0.33 0.00 0.52 0.00 0.00 54.79 54.58 2giq n ASP 559 Cb 0.34 -4.89 -0.13 0.00 -0.72 0.00 0.00 41.12 35.71 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 -3.34 3.28 -0.07 5.18 -1.09 -1.26 -4.37 121.20 119.53 2giq s ILE 560 Ca 0.05 -0.61 0.03 0.00 -2.23 0.00 0.00 60.65 57.89 2giq s ILE 560 Cb -0.02 -2.34 0.00 0.00 -1.58 0.00 0.00 42.46 38.52 2giq s ILE 560 CO 0.69 0.56 -0.18 -0.47 -1.23 0.00 0.00 174.94 174.31 2giq s TYR 561 N -0.28 1.96 0.00 3.97 5.04 0.45 -0.36 117.35 128.14 2giq s TYR 561 Ca 0.03 -0.73 0.00 0.00 -2.44 0.00 0.00 57.07 53.93 2giq s TYR 561 Cb -0.13 -1.35 0.00 0.00 0.35 0.00 0.00 41.96 40.83 2giq s TYR 561 CO 0.03 -0.30 0.00 0.72 -1.34 0.00 0.00 175.55 174.65