#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qx3 s PRO 25 N 0.00 4.34 -0.07 1.61 0.04 -1.26 -5.04 135.00 134.62 2qx3 s PRO 25 Ca 0.00 2.20 0.04 0.00 0.04 0.00 0.00 61.00 63.28 2qx3 s PRO 25 Cb 0.00 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.41 2qx3 s PRO 25 CO 0.00 -0.27 -0.19 0.08 0.04 0.00 0.00 177.00 176.66 2qx3 s VAL 26 N -0.44 2.62 0.00 -0.36 1.01 -1.26 -4.46 120.40 117.51 2qx3 s VAL 26 Ca 0.54 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.66 2qx3 s VAL 26 Cb -0.39 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 33.97 2qx3 s VAL 26 CO 0.46 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.73 2qx3 n GLY 27 N 2.82 -0.17 0.29 4.51 0.00 -1.26 -4.62 105.19 106.76 2qx3 n GLY 27 Ca -0.17 -2.00 0.16 0.00 0.00 0.00 0.00 46.02 44.01 2qx3 n GLY 27 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2qx3 h TYR 28 N 0.00 0.00 -0.49 1.61 0.05 -1.88 -1.48 116.97 114.78 2qx3 h TYR 28 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2qx3 h TYR 28 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2qx3 h TYR 28 CO 0.00 0.05 0.00 0.41 -1.05 0.00 0.00 178.16 177.57 2qx3 n GLY 29 N -0.94 2.58 0.32 3.88 0.00 -1.25 -3.86 105.19 105.92 2qx3 n GLY 29 Ca -0.02 -0.74 0.16 0.00 0.00 0.00 0.00 46.02 45.42 2qx3 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qx3 h ALA 30 N 3.71 1.67 -0.00 4.61 0.00 -1.48 -1.66 119.26 126.10 2qx3 h ALA 30 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qx3 h ALA 30 Cb 1.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2qx3 h ALA 30 CO 0.34 -0.15 -0.04 0.00 0.00 0.00 0.00 179.25 179.41 2qx3 n ALA 31 N -2.32 2.60 -2.11 0.00 0.00 -1.26 -4.70 120.51 112.71 2qx3 n ALA 31 Ca -0.01 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 2qx3 n ALA 31 Cb 0.20 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.18 2qx3 n ALA 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qx3 s THR 32 N -2.47 3.45 -0.03 0.00 2.01 -0.63 -4.88 115.64 113.09 2qx3 s THR 32 Ca 0.31 0.86 0.00 0.00 0.31 0.00 0.00 61.69 63.17 2qx3 s THR 32 Cb 0.20 -3.55 -0.00 0.00 0.01 0.00 0.00 72.50 69.16 2qx3 s THR 32 CO 0.46 -0.00 0.10 0.35 -0.69 0.00 0.00 174.62 174.84 2qx3 n THR 33 N 4.68 0.00 -0.85 -0.82 -2.24 -1.26 -4.77 114.28 109.02 2qx3 n THR 33 Ca 0.14 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2qx3 n THR 33 Cb 0.42 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 2qx3 n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qx3 n GLY 34 N 0.84 3.14 0.00 3.38 0.00 -1.25 -1.04 105.19 110.26 2qx3 n GLY 34 Ca 0.00 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.02 2qx3 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qx3 n GLY 35 N 0.00 -0.93 7.00 -0.02 0.00 -1.23 -3.74 105.19 106.27 2qx3 n GLY 35 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2qx3 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qx3 n GLY 36 N 0.76 2.90 1.65 -0.02 0.00 -0.21 -3.26 105.19 107.01 2qx3 n GLY 36 Ca 0.18 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.97 2qx3 n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qx3 n ASN 37 N 1.47 4.83 -4.75 1.61 3.02 -1.26 -4.96 115.26 115.22 2qx3 n ASN 37 Ca 0.00 -2.78 -0.34 0.00 -0.03 0.00 0.00 54.58 51.44 2qx3 n ASN 37 Cb 0.00 -0.66 0.06 0.00 -0.61 0.00 0.00 39.78 38.57 2qx3 n ASN 37 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2qx3 s LYS 38 N -2.45 2.57 0.01 3.52 1.02 -1.20 -4.92 119.74 118.30 2qx3 s LYS 38 Ca 0.45 1.54 -0.30 0.00 0.02 0.00 0.00 55.97 57.68 2qx3 s LYS 38 Cb 0.34 -1.91 -0.08 0.00 -0.52 0.00 0.00 37.83 35.66 2qx3 s LYS 38 CO 0.13 -1.45 1.97 0.08 -0.92 0.00 0.00 175.35 175.15 2qx3 s VAL 39 N -2.17 3.05 0.53 3.17 1.01 -1.26 -4.81 120.40 119.93 2qx3 s VAL 39 Ca 0.70 0.06 -0.21 0.00 0.00 0.00 0.00 61.98 62.53 2qx3 s VAL 39 Cb -0.24 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 2qx3 s VAL 39 CO 0.42 -0.01 1.21 -2.84 0.00 0.00 0.00 175.10 173.89 2qx3 s PRO 40 N 4.57 3.33 0.04 2.72 0.02 -1.26 -4.64 135.00 139.79 2qx3 s PRO 40 Ca 0.88 1.87 0.09 0.00 0.02 0.00 0.00 61.00 63.86 2qx3 s PRO 40 Cb -0.41 -2.18 -0.03 0.00 0.02 0.00 0.00 34.50 31.90 2qx3 s PRO 40 CO 0.40 -0.93 -0.25 0.14 -0.33 0.00 0.00 177.00 176.03 2qx3 s VAL 41 N -1.54 2.03 0.15 3.83 -7.23 -0.62 -4.98 120.40 112.04 2qx3 s VAL 41 Ca 0.71 -1.33 -0.30 0.00 -1.81 0.00 0.00 61.98 59.25 2qx3 s VAL 41 Cb -0.31 -1.74 -0.07 0.00 0.56 0.00 0.00 36.38 34.83 2qx3 s VAL 41 CO 0.36 0.35 0.96 0.20 -0.31 0.00 0.00 175.10 176.66 2qx3 s ASN 42 N -1.17 7.52 -0.14 4.85 0.01 -1.26 -0.94 114.94 123.81 2qx3 s ASN 42 Ca 0.11 1.85 0.00 0.00 -0.71 0.00 0.00 52.86 54.11 2qx3 s ASN 42 Cb -0.10 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 38.99 2qx3 s ASN 42 CO 0.02 -0.02 -0.13 0.68 -1.51 0.00 0.00 177.10 176.14 2qx3 s VAL 43 N -0.31 1.45 -0.54 1.60 -7.23 -0.35 -4.90 120.40 110.13 2qx3 s VAL 43 Ca 0.46 -0.56 0.23 0.00 -1.81 0.00 0.00 61.98 60.30 2qx3 s VAL 43 Cb -0.24 -1.37 -0.01 0.00 0.56 0.00 0.00 36.38 35.31 2qx3 s VAL 43 CO 0.31 0.44 1.17 0.00 -0.31 0.00 0.00 175.10 176.70 2qx3 n ALA 44 N 4.74 2.97 -2.18 1.32 0.00 -1.26 -1.53 120.51 124.57 2qx3 n ALA 44 Ca -0.16 -0.29 -0.11 0.00 0.00 0.00 0.00 53.44 52.88 2qx3 n ALA 44 Cb 0.50 -1.10 -0.10 0.00 0.00 0.00 0.00 19.45 18.75 2qx3 n ALA 44 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2qx3 s THR 45 N -3.22 0.31 0.19 0.00 -4.23 -1.26 -2.97 115.64 104.47 2qx3 s THR 45 Ca 0.04 -1.93 -0.18 0.00 -1.18 0.00 0.00 61.69 58.44 2qx3 s THR 45 Cb 0.13 -2.03 0.17 0.00 1.34 0.00 0.00 72.50 72.11 2qx3 s THR 45 CO 0.76 -0.51 1.60 0.15 -0.54 0.00 0.00 174.62 176.08 2qx3 h PHE 46 N 2.83 -0.66 -0.39 3.99 3.57 -2.00 -1.48 116.94 122.80 2qx3 h PHE 46 Ca -0.36 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.20 2qx3 h PHE 46 Cb 1.20 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 40.30 2qx3 h PHE 46 CO 0.48 -0.34 0.20 1.49 -2.23 0.00 0.00 178.31 177.91 2qx3 h GLU 47 N -0.11 0.55 -0.87 1.11 4.81 -1.99 -2.18 114.58 115.90 2qx3 h GLU 47 Ca 0.26 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2qx3 h GLU 47 Cb 0.52 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 2qx3 h GLU 47 CO -0.65 0.47 0.54 0.00 -0.73 0.00 0.00 179.01 178.64 2qx3 h ALA 48 N 1.05 1.10 0.01 2.92 0.00 -1.91 -0.58 119.26 121.86 2qx3 h ALA 48 Ca 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2qx3 h ALA 48 Cb 0.09 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2qx3 h ALA 48 CO -0.02 0.54 -0.00 1.98 0.00 0.00 0.00 179.25 181.75 2qx3 h MET 49 N 1.18 -0.01 -0.36 0.00 1.85 -1.08 -1.72 114.93 114.78 2qx3 h MET 49 Ca 0.31 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.40 2qx3 h MET 49 Cb -0.08 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 31.93 2qx3 h MET 49 CO -0.06 0.17 0.19 0.37 -0.40 0.00 0.00 176.91 177.18 2qx3 h GLN 50 N -0.19 0.51 -0.86 0.39 5.75 -1.29 -1.65 115.11 117.78 2qx3 h GLN 50 Ca -0.00 -0.06 0.06 0.00 -0.15 0.00 0.00 58.65 58.50 2qx3 h GLN 50 Cb 0.18 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.58 2qx3 h GLN 50 CO 0.00 0.43 0.56 1.03 -2.65 0.00 0.00 178.83 178.21 2qx3 h SER 51 N 0.46 0.85 -0.27 -0.69 0.87 -1.07 0.39 113.55 114.09 2qx3 h SER 51 Ca 0.13 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.61 2qx3 h SER 51 Cb 0.08 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 2qx3 h SER 51 CO -0.02 0.55 -0.13 0.00 -0.53 0.00 0.00 176.83 176.69 2qx3 h ALA 52 N 1.53 0.38 -0.58 6.23 0.00 -1.01 -1.52 119.26 124.29 2qx3 h ALA 52 Ca 0.37 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2qx3 h ALA 52 Cb 0.20 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2qx3 h ALA 52 CO -0.13 0.26 0.33 0.82 0.00 0.00 0.00 179.25 180.53 2qx3 h ILE 53 N 0.31 1.00 -0.70 0.00 2.04 -0.74 -2.11 117.51 117.30 2qx3 h ILE 53 Ca 0.06 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 2qx3 h ILE 53 Cb 0.65 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2qx3 h ILE 53 CO 0.04 0.11 0.37 0.44 0.00 0.00 0.00 178.15 179.12 2qx3 h ASP 54 N 0.63 0.87 1.40 1.72 3.32 -0.09 -2.88 116.42 121.39 2qx3 h ASP 54 Ca 0.25 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 2qx3 h ASP 54 Cb 0.11 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2qx3 h ASP 54 CO -0.14 0.71 -0.34 0.28 -1.72 0.00 0.00 179.24 178.03 2qx3 h SER 55 N 0.98 0.00 -3.62 6.45 0.02 -1.07 -3.45 113.55 112.85 2qx3 h SER 55 Ca 0.25 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.67 2qx3 h SER 55 Cb 0.04 0.00 0.08 0.00 0.14 0.00 0.00 62.40 62.66 2qx3 h SER 55 CO -0.04 0.34 0.78 -0.47 -1.14 0.00 0.00 176.83 176.30 2qx3 s TYR 56 N -3.20 2.82 0.16 3.45 5.04 -0.81 -4.92 117.35 119.89 2qx3 s TYR 56 Ca 0.03 1.07 0.30 0.00 -2.44 0.00 0.00 57.07 56.04 2qx3 s TYR 56 Cb 0.08 -3.92 1.27 0.00 0.35 0.00 0.00 41.96 39.74 2qx3 s TYR 56 CO 0.70 -2.87 1.96 0.66 -1.34 0.00 0.00 175.55 174.65 2qx3 h SER 57 N 4.08 0.00 0.00 4.32 4.64 -1.88 -3.47 113.55 121.24 2qx3 h SER 57 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2qx3 h SER 57 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2qx3 h SER 57 CO 0.72 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 177.37 2qx3 n GLY 58 N -0.03 0.94 3.35 -0.77 0.00 -1.26 -5.03 105.19 102.39 2qx3 n GLY 58 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2qx3 n GLY 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qx3 s SER 59 N -1.82 -0.10 0.00 1.61 1.04 -1.26 -0.19 113.70 112.98 2qx3 s SER 59 Ca 0.00 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2qx3 s SER 59 Cb 0.00 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2qx3 s SER 59 CO 0.00 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.94 2qx3 n GLY 60 N -0.22 2.85 0.00 7.32 0.00 -1.26 -4.91 105.19 108.97 2qx3 n GLY 60 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2qx3 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qx3 n GLY 61 N -0.31 3.89 2.81 -0.02 0.00 -1.25 -4.98 105.19 105.33 2qx3 n GLY 61 Ca 0.00 -0.93 -0.19 0.00 0.00 0.00 0.00 46.02 44.91 2qx3 n GLY 61 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qx3 s LEU 62 N 0.00 1.02 -0.20 0.99 2.96 -0.10 -4.99 118.68 118.36 2qx3 s LEU 62 Ca 0.00 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 2qx3 s LEU 62 Cb 0.00 -0.29 0.04 0.00 0.50 0.00 0.00 46.19 46.45 2qx3 s LEU 62 CO 0.00 -0.12 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.13 2qx3 s VAL 63 N 1.24 1.58 -0.23 1.68 1.01 -1.26 -0.82 120.40 123.60 2qx3 s VAL 63 Ca -0.07 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 60.89 2qx3 s VAL 63 Cb -0.13 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.57 2qx3 s VAL 63 CO -0.02 0.13 -0.07 -0.76 0.00 0.00 0.00 175.10 174.38 2qx3 s LEU 64 N 1.42 2.93 -0.43 3.92 1.43 -0.00 -1.59 118.68 126.35 2qx3 s LEU 64 Ca -0.02 -0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 52.28 2qx3 s LEU 64 Cb -0.16 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.41 2qx3 s LEU 64 CO -0.08 -0.07 0.43 0.21 0.23 0.00 0.00 176.35 177.08 2qx3 s ASN 65 N 1.39 6.18 -0.24 2.29 2.47 -0.11 -1.24 114.94 125.68 2qx3 s ASN 65 Ca 0.03 -0.79 -0.28 0.00 0.42 0.00 0.00 52.86 52.25 2qx3 s ASN 65 Cb -0.15 -2.22 0.01 0.00 -1.45 0.00 0.00 41.25 37.44 2qx3 s ASN 65 CO -0.05 -0.60 0.99 -0.47 -3.72 0.00 0.00 177.10 173.25 2qx3 s TYR 66 N 2.07 3.33 -1.02 0.43 5.04 0.65 -1.21 117.35 126.64 2qx3 s TYR 66 Ca 0.11 1.38 0.08 0.00 -2.44 0.00 0.00 57.07 56.20 2qx3 s TYR 66 Cb -0.18 -3.23 0.08 0.00 0.35 0.00 0.00 41.96 38.99 2qx3 s TYR 66 CO 0.12 -0.47 0.81 0.25 -1.34 0.00 0.00 175.55 174.93 2qx3 n THR 67 N 5.32 0.10 -2.00 4.34 -2.24 -0.58 -0.80 114.28 118.42 2qx3 n THR 67 Ca 0.10 -0.55 -0.36 0.00 -2.27 0.00 0.00 64.05 60.97 2qx3 n THR 67 Cb 0.46 1.11 0.03 0.00 -2.10 0.00 0.00 70.33 69.83 2qx3 n THR 67 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2qx3 s GLY 68 N -0.73 2.76 -0.56 3.38 0.00 -1.16 -4.87 107.32 106.14 2qx3 s GLY 68 Ca 0.11 1.04 0.05 0.00 0.00 0.00 0.00 44.72 45.91 2qx3 s GLY 68 CO 0.11 1.44 0.45 0.28 0.00 0.00 0.00 173.10 175.38 2qx3 n LYS 69 N -1.52 1.12 -1.76 2.90 5.02 -1.25 -1.61 118.16 121.04 2qx3 n LYS 69 Ca 0.13 -3.87 -0.42 0.00 -2.02 0.00 0.00 58.31 52.14 2qx3 n LYS 69 Cb 0.49 -1.95 -0.02 0.00 -0.02 0.00 0.00 35.03 33.53 2qx3 n LYS 69 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2qx3 s PHE 70 N -0.89 2.76 -0.56 2.13 2.19 -0.68 -4.87 117.98 118.06 2qx3 s PHE 70 Ca 0.30 0.73 -0.19 0.00 0.33 0.00 0.00 56.93 58.10 2qx3 s PHE 70 Cb 0.02 -4.09 0.08 0.00 -1.31 0.00 0.00 43.02 37.73 2qx3 s PHE 70 CO -0.17 -3.70 0.69 0.34 1.83 0.00 0.00 175.22 174.21 2qx3 s ASP 71 N 0.57 6.20 0.54 6.13 2.15 -1.26 -4.78 116.67 126.22 2qx3 s ASP 71 Ca 0.65 -1.19 0.30 0.00 0.43 0.00 0.00 52.55 52.73 2qx3 s ASP 71 Cb -0.48 -2.31 1.53 0.00 -0.30 0.00 0.00 42.92 41.36 2qx3 s ASP 71 CO 0.47 -1.05 2.09 -0.26 -0.17 0.00 0.00 175.17 176.25 2qx3 h PHE 72 N 9.14 0.00 -0.02 -5.34 0.04 -1.97 -1.81 116.94 116.97 2qx3 h PHE 72 Ca -0.29 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.49 2qx3 h PHE 72 Cb 1.09 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.24 2qx3 h PHE 72 CO 0.81 0.10 0.06 0.78 -0.60 0.00 0.00 178.31 179.46 2qx3 h GLY 73 N 0.89 0.00 2.00 -1.45 0.00 -2.03 -1.24 103.07 101.25 2qx3 h GLY 73 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qx3 h GLY 73 CO 0.01 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 175.64 2qx3 h THR 74 N 0.00 0.00 -2.34 4.70 1.35 -1.75 -3.37 112.91 111.50 2qx3 h THR 74 Ca 0.01 -0.51 -0.64 0.00 -0.55 0.00 0.00 66.41 64.72 2qx3 h THR 74 Cb 0.14 1.51 -0.14 0.00 -1.73 0.00 0.00 68.15 67.92 2qx3 h THR 74 CO -0.00 0.00 0.81 -0.63 -0.25 0.00 0.00 175.52 175.45 2qx3 s ILE 75 N -3.65 4.37 0.13 6.82 1.01 -0.47 -4.85 121.20 124.55 2qx3 s ILE 75 Ca 0.01 -0.79 0.07 0.00 0.00 0.00 0.00 60.65 59.95 2qx3 s ILE 75 Cb 0.09 -4.79 -0.19 0.00 0.01 0.00 0.00 42.46 37.58 2qx3 s ILE 75 CO 0.54 -1.57 1.30 0.11 0.00 0.00 0.00 174.94 175.33 2qx3 h LYS 76 N 9.37 0.00 -3.88 2.79 6.56 -1.85 -3.43 116.57 126.15 2qx3 h LYS 76 Ca -0.06 0.00 -0.52 0.00 -1.06 0.00 0.00 60.65 59.01 2qx3 h LYS 76 Cb 1.04 0.00 -0.39 0.00 -0.57 0.00 0.00 32.23 32.32 2qx3 h LYS 76 CO 1.20 0.97 -0.78 0.34 -2.06 0.00 0.00 179.45 179.12 2qx3 s ASP 77 N -6.72 2.62 0.42 0.86 2.15 -1.26 -5.02 116.67 109.72 2qx3 s ASP 77 Ca 0.01 -0.60 0.14 0.00 0.43 0.00 0.00 52.55 52.52 2qx3 s ASP 77 Cb 0.10 -0.72 1.00 0.00 -0.30 0.00 0.00 42.92 43.00 2qx3 s ASP 77 CO 0.82 -0.23 1.93 0.58 -0.17 0.00 0.00 175.17 178.10 2qx3 h VAL 78 N 6.42 0.84 -0.02 1.11 2.07 -2.02 -2.08 116.25 122.57 2qx3 h VAL 78 Ca -0.21 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.15 2qx3 h VAL 78 Cb 1.12 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2qx3 h VAL 78 CO 0.35 0.09 0.00 0.00 0.02 0.00 0.00 177.57 178.03 2qx3 h ALA 80 N 3.81 0.96 -0.16 0.00 0.00 -1.80 -3.38 119.26 118.69 2qx3 h ALA 80 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 2qx3 h ALA 80 Cb 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qx3 h ALA 80 CO 0.00 0.15 -0.41 1.96 0.00 0.00 0.00 179.25 180.95 2qx3 h GLN 81 N 0.00 0.56 -0.14 0.00 1.08 -1.63 -3.31 115.11 111.67 2qx3 h GLN 81 Ca -0.00 -0.39 -0.02 0.00 -1.45 0.00 0.00 58.65 56.79 2qx3 h GLN 81 Cb 0.87 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 2qx3 h GLN 81 CO 0.02 1.01 0.00 0.11 -0.95 0.00 0.00 178.83 179.02 2qx3 h TRP 82 N 0.20 0.20 0.00 2.96 5.08 -1.75 -1.76 115.95 120.88 2qx3 h TRP 82 Ca -0.01 -0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.96 2qx3 h TRP 82 Cb 1.03 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 27.12 2qx3 h TRP 82 CO 0.10 0.21 -0.07 1.63 -1.28 0.00 0.00 178.44 179.03 2qx3 n LYS 83 N -4.42 0.12 -3.22 0.12 5.02 -1.24 -3.22 118.16 111.30 2qx3 n LYS 83 Ca -0.01 0.09 -0.31 0.00 -2.02 0.00 0.00 58.31 56.06 2qx3 n LYS 83 Cb 0.15 -1.63 -0.05 0.00 -0.02 0.00 0.00 35.03 33.49 2qx3 n LYS 83 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qx3 s LEU 84 N -3.65 4.05 0.51 -0.35 1.43 -0.79 -4.97 118.68 114.92 2qx3 s LEU 84 Ca 0.12 0.99 -0.20 0.00 -1.03 0.00 0.00 54.13 54.01 2qx3 s LEU 84 Cb 0.16 -3.80 -0.07 0.00 0.03 0.00 0.00 46.19 42.51 2qx3 s LEU 84 CO 0.58 -0.20 1.12 -2.16 0.23 0.00 0.00 176.35 175.92 2qx3 s PRO 85 N -3.23 3.53 0.51 1.29 0.04 -1.26 -1.85 135.00 134.03 2qx3 s PRO 85 Ca 0.49 1.60 -0.22 0.00 0.04 0.00 0.00 61.00 62.90 2qx3 s PRO 85 Cb -0.11 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.27 2qx3 s PRO 85 CO 0.24 -0.70 1.25 0.00 0.04 0.00 0.00 177.00 177.83 2qx3 s ALA 86 N -1.76 2.85 -0.36 8.56 0.00 -1.26 -4.39 121.76 125.40 2qx3 s ALA 86 Ca 0.70 1.10 -0.02 0.00 0.00 0.00 0.00 51.96 53.74 2qx3 s ALA 86 Cb -0.23 -3.47 0.08 0.00 0.00 0.00 0.00 23.12 19.50 2qx3 s ALA 86 CO 0.27 -1.01 0.11 0.15 0.00 0.00 0.00 175.76 175.28 2qx3 s LYS 87 N -2.87 2.18 -0.07 0.00 1.02 -1.26 -5.00 119.74 113.73 2qx3 s LYS 87 Ca 0.69 -1.57 -0.00 0.00 0.02 0.00 0.00 55.97 55.10 2qx3 s LYS 87 Cb -0.33 -3.41 0.02 0.00 -0.52 0.00 0.00 37.83 33.59 2qx3 s LYS 87 CO 0.40 -0.87 -0.03 0.99 -0.92 0.00 0.00 175.35 174.91 2qx3 s THR 88 N 1.19 0.58 0.22 2.17 2.01 -1.26 -1.31 115.64 119.24 2qx3 s THR 88 Ca 0.03 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 2qx3 s THR 88 Cb -0.21 -0.66 -0.09 0.00 0.01 0.00 0.00 72.50 71.55 2qx3 s THR 88 CO -0.03 0.27 1.09 -0.69 -0.69 0.00 0.00 174.62 174.57 2qx3 s VAL 89 N 1.56 3.73 -0.12 3.82 1.01 0.10 -4.92 120.40 125.58 2qx3 s VAL 89 Ca -0.01 1.60 0.02 0.00 0.00 0.00 0.00 61.98 63.60 2qx3 s VAL 89 Cb -0.13 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.24 2qx3 s VAL 89 CO -0.04 0.33 -0.17 -1.10 0.00 0.00 0.00 175.10 174.13 2qx3 s GLN 90 N -0.87 2.37 -0.54 2.72 -0.21 -1.26 -0.40 119.66 121.46 2qx3 s GLN 90 Ca 0.47 -0.62 -0.17 0.00 0.02 0.00 0.00 55.36 55.06 2qx3 s GLN 90 Cb -0.30 -2.00 0.10 0.00 1.00 0.00 0.00 33.01 31.81 2qx3 s GLN 90 CO 0.37 -0.06 0.57 0.42 -2.12 0.00 0.00 175.29 174.48 2qx3 s ILE 91 N 0.97 5.03 -0.20 1.08 1.01 0.80 -4.92 121.20 124.98 2qx3 s ILE 91 Ca -0.06 -1.12 -0.01 0.00 0.00 0.00 0.00 60.65 59.46 2qx3 s ILE 91 Cb -0.15 -4.36 0.01 0.00 0.01 0.00 0.00 42.46 37.97 2qx3 s ILE 91 CO -0.02 -0.91 -0.14 -0.75 0.00 0.00 0.00 174.94 173.12 2qx3 s LYS 92 N 2.13 3.14 -1.69 2.79 2.20 -1.26 -0.89 119.74 126.17 2qx3 s LYS 92 Ca 0.08 -0.75 -0.17 0.00 -0.36 0.00 0.00 55.97 54.77 2qx3 s LYS 92 Cb -0.26 -2.74 0.15 0.00 -1.51 0.00 0.00 37.83 33.47 2qx3 s LYS 92 CO 0.06 -0.20 0.74 0.09 -0.36 0.00 0.00 175.35 175.68 2qx3 n ASN 93 N 4.68 -2.96 -4.09 1.43 4.13 -0.61 -4.96 115.26 112.89 2qx3 n ASN 93 Ca -0.20 -1.02 -0.17 0.00 1.68 0.00 0.00 54.58 54.87 2qx3 n ASN 93 Cb 0.50 -2.73 -0.13 0.00 -1.54 0.00 0.00 39.78 35.89 2qx3 n ASN 93 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2qx3 s LYS 94 N -6.92 0.70 0.34 3.52 1.02 -1.25 -4.85 119.74 112.30 2qx3 s LYS 94 Ca 0.67 -0.67 0.06 0.00 0.02 0.00 0.00 55.97 56.05 2qx3 s LYS 94 Cb -0.37 -0.63 -0.07 0.00 -0.52 0.00 0.00 37.83 36.24 2qx3 s LYS 94 CO 0.93 0.15 0.01 -1.12 -0.92 0.00 0.00 175.35 174.40 2qx3 s SER 95 N -1.13 2.96 -1.04 2.83 0.01 0.74 -3.75 113.70 114.31 2qx3 s SER 95 Ca -0.02 -1.32 -0.06 0.00 1.31 0.00 0.00 55.95 55.86 2qx3 s SER 95 Cb -0.08 -0.21 -0.07 0.00 0.21 0.00 0.00 66.02 65.88 2qx3 s SER 95 CO 0.01 -0.48 0.91 0.47 0.41 0.00 0.00 173.24 174.57 2qx3 n ASP 96 N -0.74 -6.52 -4.08 2.44 8.00 -0.46 -4.18 116.55 111.00 2qx3 n ASP 96 Ca -0.04 -0.70 -0.26 0.00 0.71 0.00 0.00 54.79 54.50 2qx3 n ASP 96 Cb 0.66 -5.18 -0.16 0.00 -0.02 0.00 0.00 41.12 36.42 2qx3 n ASP 96 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qx3 s VAL 97 N -3.39 1.32 -0.20 2.53 1.01 -0.78 -0.93 120.40 119.95 2qx3 s VAL 97 Ca 0.45 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 2qx3 s VAL 97 Cb -0.06 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 2qx3 s VAL 97 CO 0.73 0.39 -0.07 -0.89 0.00 0.00 0.00 175.10 175.26 2qx3 s THR 98 N 0.44 3.18 -0.31 3.92 2.01 -0.00 -0.41 115.64 124.46 2qx3 s THR 98 Ca -0.12 -0.57 -0.07 0.00 0.31 0.00 0.00 61.69 61.25 2qx3 s THR 98 Cb -0.15 -2.42 0.02 0.00 0.01 0.00 0.00 72.50 69.96 2qx3 s THR 98 CO 0.04 0.45 0.09 -0.63 -0.69 0.00 0.00 174.62 173.88 2qx3 s ILE 99 N 1.31 3.89 -0.09 1.82 1.01 0.15 -0.82 121.20 128.47 2qx3 s ILE 99 Ca 0.04 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.85 2qx3 s ILE 99 Cb -0.14 -3.08 0.01 0.00 0.01 0.00 0.00 42.46 39.26 2qx3 s ILE 99 CO -0.03 -0.02 -0.16 -0.75 0.00 0.00 0.00 174.94 173.98 2qx3 s LYS 100 N 1.46 2.19 0.22 2.79 2.20 -0.37 -1.13 119.74 127.10 2qx3 s LYS 100 Ca 0.01 -0.57 -0.30 0.00 -0.36 0.00 0.00 55.97 54.75 2qx3 s LYS 100 Cb -0.18 -1.78 -0.08 0.00 -1.51 0.00 0.00 37.83 34.27 2qx3 s LYS 100 CO 0.03 0.03 1.08 0.20 -0.36 0.00 0.00 175.35 176.32 2qx3 s GLY 101 N 0.71 2.97 0.74 5.54 0.00 -0.13 -0.26 107.32 116.90 2qx3 s GLY 101 Ca -0.13 0.81 -0.12 0.00 0.00 0.00 0.00 44.72 45.29 2qx3 s GLY 101 CO 0.03 1.54 1.10 0.00 0.00 0.00 0.00 173.10 175.77 2qx3 s ALA 102 N -0.68 2.30 0.20 3.20 0.00 0.02 -4.74 121.76 122.06 2qx3 s ALA 102 Ca 0.46 0.37 -0.33 0.00 0.00 0.00 0.00 51.96 52.47 2qx3 s ALA 102 Cb -0.30 -3.29 -0.13 0.00 0.00 0.00 0.00 23.12 19.40 2qx3 s ALA 102 CO 0.37 -1.65 1.56 -1.71 0.00 0.00 0.00 175.76 174.33 2qx3 n ASN 103 N -3.20 3.21 0.00 0.00 5.15 -1.26 -1.24 115.26 117.92 2qx3 n ASN 103 Ca 0.10 1.10 0.00 0.00 -0.60 0.00 0.00 54.58 55.18 2qx3 n ASN 103 Cb 0.53 -1.46 0.00 0.00 -0.53 0.00 0.00 39.78 38.31 2qx3 n ASN 103 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2qx3 n GLY 104 N 3.08 1.83 3.78 8.20 0.00 -1.26 -5.03 105.19 115.80 2qx3 n GLY 104 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2qx3 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qx3 s SER 105 N -3.33 5.37 -0.10 1.61 1.04 -0.37 -4.83 113.70 113.08 2qx3 s SER 105 Ca 0.00 1.96 -0.16 0.00 0.48 0.00 0.00 55.95 58.23 2qx3 s SER 105 Cb 0.00 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.61 2qx3 s SER 105 CO 0.00 -1.45 0.40 0.00 0.98 0.00 0.00 173.24 173.16 2qx3 s ALA 106 N -2.32 -1.00 -0.03 5.32 0.00 -0.64 -4.28 121.76 118.81 2qx3 s ALA 106 Ca 0.66 0.88 0.05 0.00 0.00 0.00 0.00 51.96 53.56 2qx3 s ALA 106 Cb -0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 2qx3 s ALA 106 CO 0.39 -0.23 -0.19 0.00 0.00 0.00 0.00 175.76 175.73 2qx3 s ALA 107 N -0.43 1.62 -0.56 0.00 0.00 0.18 -1.69 121.76 120.88 2qx3 s ALA 107 Ca -0.06 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.13 2qx3 s ALA 107 Cb -0.03 -0.48 0.46 0.00 0.00 0.00 0.00 23.12 23.07 2qx3 s ALA 107 CO 0.03 0.34 1.81 -1.71 0.00 0.00 0.00 175.76 176.23 2qx3 n ASN 108 N 2.89 6.80 -4.01 0.00 5.15 -1.26 -2.34 115.26 122.49 2qx3 n ASN 108 Ca -0.17 -3.78 -0.08 0.00 -0.60 0.00 0.00 54.58 49.96 2qx3 n ASN 108 Cb 0.53 -0.81 -0.10 0.00 -0.53 0.00 0.00 39.78 38.88 2qx3 n ASN 108 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 2qx3 s PHE 109 N -3.75 0.38 0.43 1.20 -0.12 -1.26 -4.73 117.98 110.13 2qx3 s PHE 109 Ca 0.61 -0.82 0.04 0.00 -0.05 0.00 0.00 56.93 56.70 2qx3 s PHE 109 Cb 0.48 -0.27 0.04 0.00 -0.63 0.00 0.00 43.02 42.64 2qx3 s PHE 109 CO 0.01 -0.37 0.32 0.41 -0.05 0.00 0.00 175.22 175.54 2qx3 n GLY 110 N 0.43 2.80 2.93 1.99 0.00 -0.43 -4.85 105.19 108.07 2qx3 n GLY 110 Ca -0.17 -2.27 -0.16 0.00 0.00 0.00 0.00 46.02 43.42 2qx3 n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qx3 s ILE 111 N -2.14 0.38 -0.05 -0.61 1.01 -0.09 0.02 121.20 119.71 2qx3 s ILE 111 Ca 0.25 -0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.79 2qx3 s ILE 111 Cb -0.02 -0.35 -0.01 0.00 0.01 0.00 0.00 42.46 42.09 2qx3 s ILE 111 CO 0.16 0.13 -0.22 -0.13 0.00 0.00 0.00 174.94 174.88 2qx3 s ARG 112 N 0.16 2.26 -0.26 2.79 0.52 0.46 -0.89 118.95 123.99 2qx3 s ARG 112 Ca -0.01 -0.78 -0.03 0.00 -0.52 0.00 0.00 55.73 54.38 2qx3 s ARG 112 Cb -0.05 -1.92 0.02 0.00 0.52 0.00 0.00 34.95 33.52 2qx3 s ARG 112 CO -0.00 0.31 -0.02 0.08 0.02 0.00 0.00 175.30 175.69 2qx3 s VAL 113 N -0.05 3.19 -0.03 3.52 1.01 0.62 -0.14 120.40 128.52 2qx3 s VAL 113 Ca -0.05 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.02 2qx3 s VAL 113 Cb -0.13 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 2qx3 s VAL 113 CO 0.03 0.15 -0.14 0.54 0.00 0.00 0.00 175.10 175.68 2qx3 s VAL 114 N 1.37 1.18 0.00 2.92 0.11 -0.07 -0.92 120.40 125.00 2qx3 s VAL 114 Ca 0.01 -0.60 0.00 0.00 -2.93 0.00 0.00 61.98 58.45 2qx3 s VAL 114 Cb -0.17 -1.01 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 2qx3 s VAL 114 CO -0.02 0.34 0.00 0.61 -3.33 0.00 0.00 175.10 172.70 2qx3 n GLY 115 N 2.99 0.07 2.79 6.54 0.00 -0.46 -1.57 105.19 115.55 2qx3 n GLY 115 Ca -0.17 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 2qx3 n GLY 115 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qx3 n ASN 116 N 2.32 4.20 -4.01 1.61 5.15 -1.26 -1.97 115.26 121.31 2qx3 n ASN 116 Ca 0.00 -2.58 -0.28 0.00 -0.60 0.00 0.00 54.58 51.12 2qx3 n ASN 116 Cb 0.00 -1.25 -0.17 0.00 -0.53 0.00 0.00 39.78 37.83 2qx3 n ASN 116 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qx3 s ALA 117 N 3.87 1.55 0.07 5.20 0.00 -1.26 -3.83 121.76 127.36 2qx3 s ALA 117 Ca 0.51 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.84 2qx3 s ALA 117 Cb 0.13 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 2qx3 s ALA 117 CO 0.01 -0.17 -0.08 -1.01 0.00 0.00 0.00 175.76 174.52 2qx3 s HIS 118 N 1.17 0.81 -0.53 0.00 3.76 -1.25 -2.93 115.29 116.33 2qx3 s HIS 118 Ca -0.04 -0.68 -0.01 0.00 -0.15 0.00 0.00 55.06 54.19 2qx3 s HIS 118 Cb -0.14 -0.47 0.00 0.00 1.11 0.00 0.00 32.58 33.08 2qx3 s HIS 118 CO -0.04 -0.10 0.51 -1.71 -0.85 0.00 0.00 174.74 172.55 2qx3 n ASN 119 N 0.76 -6.23 -4.01 1.40 5.15 -0.59 -1.36 115.26 110.39 2qx3 n ASN 119 Ca -0.18 -0.03 -0.22 0.00 -0.60 0.00 0.00 54.58 53.55 2qx3 n ASN 119 Cb 0.57 -4.15 -0.16 0.00 -0.53 0.00 0.00 39.78 35.52 2qx3 n ASN 119 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2qx3 s VAL 120 N -2.96 0.95 -0.12 3.44 1.01 -0.75 -1.87 120.40 120.09 2qx3 s VAL 120 Ca 0.01 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 2qx3 s VAL 120 Cb -0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 2qx3 s VAL 120 CO 0.55 0.30 -0.11 -0.63 0.00 0.00 0.00 175.10 175.21 2qx3 s ILE 121 N 0.44 3.28 -0.17 2.22 1.01 0.45 -0.93 121.20 127.50 2qx3 s ILE 121 Ca -0.08 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 59.98 2qx3 s ILE 121 Cb -0.12 -2.38 0.03 0.00 0.01 0.00 0.00 42.46 39.99 2qx3 s ILE 121 CO 0.02 0.53 -0.15 -0.63 0.00 0.00 0.00 174.94 174.71 2qx3 s ILE 122 N 0.16 1.75 -0.12 2.92 1.01 -0.38 0.32 121.20 126.86 2qx3 s ILE 122 Ca -0.06 -0.82 -0.10 0.00 0.00 0.00 0.00 60.65 59.67 2qx3 s ILE 122 Cb -0.15 -1.66 0.03 0.00 0.01 0.00 0.00 42.46 40.69 2qx3 s ILE 122 CO 0.04 0.42 0.31 -1.58 0.00 0.00 0.00 174.94 174.12 2qx3 s GLN 123 N 1.40 0.35 -1.91 2.79 0.74 -0.29 -1.08 119.66 121.67 2qx3 s GLN 123 Ca 0.03 0.44 0.00 0.00 0.05 0.00 0.00 55.36 55.88 2qx3 s GLN 123 Cb -0.14 0.16 0.00 0.00 1.10 0.00 0.00 33.01 34.13 2qx3 s GLN 123 CO -0.11 -0.05 0.00 -1.71 -0.55 0.00 0.00 175.29 172.87 2qx3 n ASN 124 N 3.00 -5.55 -4.78 6.67 5.15 -0.65 -0.95 115.26 118.15 2qx3 n ASN 124 Ca -0.14 0.23 -0.39 0.00 -0.60 0.00 0.00 54.58 53.68 2qx3 n ASN 124 Cb 0.58 -4.76 -0.06 0.00 -0.53 0.00 0.00 39.78 35.01 2qx3 n ASN 124 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2qx3 s MET 125 N -4.44 4.43 -0.34 1.20 -1.94 -1.26 -3.60 119.30 113.35 2qx3 s MET 125 Ca 0.00 0.98 -0.07 0.00 -1.71 0.00 0.00 55.69 54.89 2qx3 s MET 125 Cb 0.00 -3.29 0.04 0.00 2.01 0.00 0.00 34.83 33.59 2qx3 s MET 125 CO 0.00 0.51 0.11 0.99 -0.01 0.00 0.00 175.02 176.62 2qx3 s THR 126 N -0.80 3.85 -0.22 2.05 2.01 -1.26 -0.85 115.64 120.43 2qx3 s THR 126 Ca 0.34 -1.06 0.02 0.00 0.31 0.00 0.00 61.69 61.29 2qx3 s THR 126 Cb -0.21 -3.16 0.04 0.00 0.01 0.00 0.00 72.50 69.19 2qx3 s THR 126 CO 0.23 -0.15 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.25 2qx3 s ILE 127 N 1.42 1.87 0.03 1.82 1.01 -0.12 0.50 121.20 127.74 2qx3 s ILE 127 Ca -0.01 -1.19 0.01 0.00 0.00 0.00 0.00 60.65 59.46 2qx3 s ILE 127 Cb -0.19 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.34 2qx3 s ILE 127 CO 0.03 0.17 -0.05 -0.83 0.00 0.00 0.00 174.94 174.25 2qx3 s GLY 128 N 1.29 0.38 -1.23 6.18 0.00 -0.99 -2.12 107.32 110.83 2qx3 s GLY 128 Ca -0.03 -0.71 -0.06 0.00 0.00 0.00 0.00 44.72 43.93 2qx3 s GLY 128 CO -0.08 -0.77 0.76 1.04 0.00 0.00 0.00 173.10 174.05 2qx3 n LEU 129 N 1.45 -3.46 -4.77 0.66 4.77 -0.71 -4.57 117.00 110.36 2qx3 n LEU 129 Ca -0.23 -0.84 -0.39 0.00 -0.03 0.00 0.00 56.01 54.52 2qx3 n LEU 129 Cb 0.55 -2.70 -0.05 0.00 -2.33 0.00 0.00 43.42 38.89 2qx3 n LEU 129 CO 0.21 0.37 0.73 -0.76 -1.33 0.00 0.00 177.39 176.61 2qx3 s LEU 130 N -6.42 4.43 0.58 2.23 1.43 -1.26 -5.00 118.68 114.66 2qx3 s LEU 130 Ca 0.18 2.09 -0.18 0.00 -1.03 0.00 0.00 54.13 55.19 2qx3 s LEU 130 Cb -0.05 -3.82 -0.04 0.00 0.03 0.00 0.00 46.19 42.31 2qx3 s LEU 130 CO 0.81 -0.17 1.10 -1.10 0.23 0.00 0.00 176.35 177.22 2qx3 s GLN 131 N -1.76 3.24 0.00 1.70 -0.21 -1.26 -4.55 119.66 116.82 2qx3 s GLN 131 Ca 0.48 1.44 0.00 0.00 0.02 0.00 0.00 55.36 57.30 2qx3 s GLN 131 Cb -0.26 -2.00 0.00 0.00 1.00 0.00 0.00 33.01 31.74 2qx3 s GLN 131 CO 0.34 -0.91 0.00 0.41 -2.12 0.00 0.00 175.29 173.01 2qx3 n GLY 132 N -0.29 1.25 7.00 3.09 0.00 -0.73 -4.10 105.19 111.40 2qx3 n GLY 132 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2qx3 n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qx3 n GLY 133 N 0.00 3.31 0.31 -0.02 0.00 -1.20 -1.04 105.19 106.55 2qx3 n GLY 133 Ca 0.00 0.26 0.17 0.00 0.00 0.00 0.00 46.02 46.45 2qx3 n GLY 133 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qx3 h GLU 134 N 0.00 0.00 -0.35 1.61 4.81 -1.74 -1.04 114.58 117.87 2qx3 h GLU 134 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2qx3 h GLU 134 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2qx3 h GLU 134 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.03 2qx3 n ASP 135 N -3.66 2.66 -3.75 1.04 8.00 -0.21 -4.71 116.55 115.92 2qx3 n ASP 135 Ca -0.03 -1.90 -0.42 0.00 0.71 0.00 0.00 54.79 53.16 2qx3 n ASP 135 Cb 0.10 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 2qx3 n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qx3 n ALA 136 N 0.96 5.62 -2.31 2.24 0.00 -0.41 -4.75 120.51 121.86 2qx3 n ALA 136 Ca 0.18 -4.02 -0.41 0.00 0.00 0.00 0.00 53.44 49.18 2qx3 n ALA 136 Cb 0.47 -3.32 -0.04 0.00 0.00 0.00 0.00 19.45 16.56 2qx3 n ALA 136 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2qx3 s ASP 137 N 2.26 7.39 -0.11 0.00 1.47 -1.26 -3.92 116.67 122.50 2qx3 s ASP 137 Ca 0.46 1.85 -0.06 0.00 1.18 0.00 0.00 52.55 55.98 2qx3 s ASP 137 Cb 0.13 -2.59 -0.02 0.00 -0.34 0.00 0.00 42.92 40.10 2qx3 s ASP 137 CO -0.06 -0.17 -0.11 0.28 0.68 0.00 0.00 175.17 175.80 2qx3 h SER 138 N 5.80 0.00 -3.15 2.11 0.02 -1.68 -3.36 113.55 113.29 2qx3 h SER 138 Ca -0.43 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.04 2qx3 h SER 138 Cb 1.21 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.35 2qx3 h SER 138 CO 0.73 0.58 -0.76 -0.63 -1.14 0.00 0.00 176.83 175.62 2qx3 s ILE 139 N -1.90 0.17 -0.10 3.27 1.01 -0.71 -0.91 121.20 122.04 2qx3 s ILE 139 Ca -0.09 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.27 2qx3 s ILE 139 Cb 0.01 -0.74 0.02 0.00 0.01 0.00 0.00 42.46 41.76 2qx3 s ILE 139 CO 0.14 -0.22 -0.09 -0.55 0.00 0.00 0.00 174.94 174.21 2qx3 s SER 140 N 2.02 2.00 -0.22 3.58 0.15 -0.07 -0.46 113.70 120.71 2qx3 s SER 140 Ca 0.01 -0.30 -0.01 0.00 0.70 0.00 0.00 55.95 56.35 2qx3 s SER 140 Cb -0.16 -0.83 0.02 0.00 -1.71 0.00 0.00 66.02 63.34 2qx3 s SER 140 CO -0.08 -0.06 -0.10 -0.76 1.20 0.00 0.00 173.24 173.43 2qx3 s LEU 141 N 1.32 2.79 -0.09 3.45 1.43 0.24 -0.28 118.68 127.55 2qx3 s LEU 141 Ca -0.02 -0.69 -0.00 0.00 -1.03 0.00 0.00 54.13 52.38 2qx3 s LEU 141 Cb -0.14 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.48 2qx3 s LEU 141 CO -0.04 -0.06 -0.06 -1.61 0.23 0.00 0.00 176.35 174.81 2qx3 s GLU 142 N 1.35 1.27 0.45 1.70 2.02 -0.09 -1.90 118.70 123.50 2qx3 s GLU 142 Ca 0.03 -0.18 -0.13 0.00 0.02 0.00 0.00 54.97 54.71 2qx3 s GLU 142 Cb -0.15 -1.34 -0.07 0.00 0.10 0.00 0.00 34.13 32.67 2qx3 s GLU 142 CO -0.07 -0.21 0.86 0.20 0.02 0.00 0.00 175.26 176.07 2qx3 s GLY 143 N 1.52 1.99 0.00 -1.39 0.00 -0.81 -1.36 107.32 107.27 2qx3 s GLY 143 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.68 2qx3 s GLY 143 CO -0.05 0.19 0.00 1.16 0.00 0.00 0.00 173.10 174.40 2qx3 n ASN 144 N -1.44 0.00 0.19 1.64 0.23 -0.38 -4.78 115.26 110.72 2qx3 n ASN 144 Ca 0.04 -0.76 0.14 0.00 -0.53 0.00 0.00 54.58 53.47 2qx3 n ASN 144 Cb 0.54 0.00 0.63 0.00 -2.08 0.00 0.00 39.78 38.87 2qx3 n ASN 144 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2qx3 h SER 145 N 0.00 0.00 1.30 0.53 4.64 -1.99 -2.27 113.55 115.76 2qx3 h SER 145 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qx3 h SER 145 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qx3 h SER 145 CO 0.00 0.00 -0.55 0.77 -0.87 0.00 0.00 176.83 176.18 2qx3 h SER 146 N 0.00 0.00 -2.09 4.97 4.64 -1.96 -3.50 113.55 115.60 2qx3 h SER 146 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2qx3 h SER 146 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2qx3 h SER 146 CO 0.00 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 2qx3 n GLY 147 N 1.20 0.49 3.03 -0.77 0.00 -0.85 -4.30 105.19 103.99 2qx3 n GLY 147 Ca 0.02 -1.62 -0.25 0.00 0.00 0.00 0.00 46.02 44.18 2qx3 n GLY 147 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qx3 s GLU 148 N -1.56 1.74 0.46 1.61 8.01 -1.23 -1.25 118.70 126.48 2qx3 s GLU 148 Ca 0.00 -0.43 -0.23 0.00 0.01 0.00 0.00 54.97 54.31 2qx3 s GLU 148 Cb 0.00 -1.43 -0.09 0.00 -4.31 0.00 0.00 34.13 28.30 2qx3 s GLU 148 CO 0.00 0.04 1.11 -2.30 0.01 0.00 0.00 175.26 174.12 2qx3 n PRO 149 N 3.76 1.47 -3.81 0.39 -0.02 -0.83 -4.62 135.00 131.34 2qx3 n PRO 149 Ca -0.22 0.53 -0.10 0.00 -2.02 0.00 0.00 63.50 61.69 2qx3 n PRO 149 Cb 0.52 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 2qx3 n PRO 149 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2qx3 s SER 150 N -0.78 -0.08 -0.90 2.55 1.04 -1.15 -1.99 113.70 112.39 2qx3 s SER 150 Ca 0.65 -0.61 -0.05 0.00 0.48 0.00 0.00 55.95 56.43 2qx3 s SER 150 Cb -0.50 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.06 2qx3 s SER 150 CO 0.55 -0.89 0.76 0.29 0.98 0.00 0.00 173.24 174.92 2qx3 n LYS 151 N -0.22 -1.56 -4.97 4.02 5.02 -0.43 -1.54 118.16 118.48 2qx3 n LYS 151 Ca -0.11 1.07 -0.32 0.00 -2.02 0.00 0.00 58.31 56.92 2qx3 n LYS 151 Cb 0.63 -5.06 -0.14 0.00 -0.02 0.00 0.00 35.03 30.43 2qx3 n LYS 151 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2qx3 s ILE 152 N -3.18 2.76 -0.23 -0.18 -1.09 -0.97 -1.80 121.20 116.51 2qx3 s ILE 152 Ca 0.20 -0.81 0.02 0.00 -2.23 0.00 0.00 60.65 57.83 2qx3 s ILE 152 Cb -0.04 -2.08 0.05 0.00 -1.58 0.00 0.00 42.46 38.80 2qx3 s ILE 152 CO 0.79 0.57 -0.11 0.86 -1.23 0.00 0.00 174.94 175.81 2qx3 s TRP 153 N -0.29 2.90 -0.39 3.97 -0.00 -0.10 -1.43 118.94 123.59 2qx3 s TRP 153 Ca 0.02 -2.00 -0.07 0.00 -0.00 0.00 0.00 56.10 54.04 2qx3 s TRP 153 Cb -0.13 -1.82 0.07 0.00 -0.00 0.00 0.00 33.47 31.59 2qx3 s TRP 153 CO 0.03 -0.83 0.19 0.08 -0.00 0.00 0.00 176.95 176.42 2qx3 s VAL 154 N 1.23 3.90 -0.02 5.86 1.01 -0.35 -1.25 120.40 130.78 2qx3 s VAL 154 Ca -0.05 -1.39 0.01 0.00 0.00 0.00 0.00 61.98 60.55 2qx3 s VAL 154 Cb -0.18 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.85 2qx3 s VAL 154 CO -0.07 -0.40 -0.03 -0.62 0.00 0.00 0.00 175.10 173.98 2qx3 s ASP 155 N 1.80 0.56 -1.49 3.32 2.15 -0.24 -1.11 116.67 121.67 2qx3 s ASP 155 Ca 0.02 -0.07 -0.11 0.00 0.43 0.00 0.00 52.55 52.82 2qx3 s ASP 155 Cb -0.22 -0.19 0.07 0.00 -0.30 0.00 0.00 42.92 42.29 2qx3 s ASP 155 CO 0.01 -0.01 0.91 1.41 -0.17 0.00 0.00 175.17 177.32 2qx3 n HIS 156 N 3.54 -2.20 -4.01 -5.34 8.25 -0.54 -2.23 115.22 112.68 2qx3 n HIS 156 Ca -0.20 0.89 -0.28 0.00 -0.26 0.00 0.00 57.72 57.87 2qx3 n HIS 156 Cb 0.54 -4.04 -0.05 0.00 1.12 0.00 0.00 29.99 27.57 2qx3 n HIS 156 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2qx3 s ASN 157 N -3.55 5.86 -0.16 0.41 0.01 -1.26 -1.63 114.94 114.63 2qx3 s ASN 157 Ca 0.52 0.05 -0.01 0.00 -0.71 0.00 0.00 52.86 52.71 2qx3 s ASN 157 Cb -0.26 -1.66 -0.01 0.00 0.41 0.00 0.00 41.25 39.74 2qx3 s ASN 157 CO 0.83 0.12 -0.13 -0.89 -1.51 0.00 0.00 177.10 175.52 2qx3 s THR 158 N -1.59 2.87 -0.08 1.60 2.01 -0.03 -0.70 115.64 119.72 2qx3 s THR 158 Ca 0.32 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.63 2qx3 s THR 158 Cb -0.11 -2.23 0.02 0.00 0.01 0.00 0.00 72.50 70.19 2qx3 s THR 158 CO 0.25 0.50 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.91 2qx3 s VAL 159 N 0.80 0.98 0.06 3.82 1.01 0.20 -0.95 120.40 126.32 2qx3 s VAL 159 Ca -0.05 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.52 2qx3 s VAL 159 Cb -0.15 -0.95 -0.00 0.00 0.00 0.00 0.00 36.38 35.27 2qx3 s VAL 159 CO 0.01 0.34 0.17 0.72 0.00 0.00 0.00 175.10 176.33 2qx3 s PHE 160 N 1.17 0.14 0.00 5.22 -0.71 -0.90 -1.66 117.98 121.23 2qx3 s PHE 160 Ca -0.06 -0.48 0.00 0.00 -1.04 0.00 0.00 56.93 55.36 2qx3 s PHE 160 Cb -0.14 -0.07 0.00 0.00 -1.21 0.00 0.00 43.02 41.59 2qx3 s PHE 160 CO -0.02 -0.47 0.00 0.00 -1.34 0.00 0.00 175.22 173.39 2qx3 n ALA 161 N 0.33 0.00 -3.21 1.99 0.00 -0.88 -1.74 120.51 117.00 2qx3 n ALA 161 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.14 2qx3 n ALA 161 Cb 0.61 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.96 2qx3 n ALA 161 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qx3 s SER 162 N 1.23 -0.17 0.00 0.00 0.15 -0.29 -4.79 113.70 109.83 2qx3 s SER 162 Ca 0.00 0.11 0.29 0.00 0.70 0.00 0.00 55.95 57.05 2qx3 s SER 162 Cb 0.00 0.34 1.20 0.00 -1.71 0.00 0.00 66.02 65.84 2qx3 s SER 162 CO 0.00 -0.39 1.85 0.18 1.20 0.00 0.00 173.24 176.08 2qx3 n LEU 163 N 1.54 0.40 -4.74 3.45 4.32 -1.26 -4.48 117.00 116.23 2qx3 n LEU 163 Ca -0.21 0.07 -0.42 0.00 -0.02 0.00 0.00 56.01 55.44 2qx3 n LEU 163 Cb 0.56 -0.22 -0.02 0.00 -1.62 0.00 0.00 43.42 42.12 2qx3 n LEU 163 CO 0.21 0.08 1.26 0.41 -1.22 0.00 0.00 177.39 178.12 2qx3 n THR 164 N -1.07 0.88 -3.42 -5.08 -1.04 -1.26 -4.96 114.28 98.33 2qx3 n THR 164 Ca 0.13 -0.22 -0.44 0.00 -2.04 0.00 0.00 64.05 61.48 2qx3 n THR 164 Cb 0.28 -1.96 -0.07 0.00 -1.82 0.00 0.00 70.33 66.76 2qx3 n THR 164 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2qx3 s LYS 165 N -0.28 2.86 0.28 -2.82 1.02 -1.26 -4.81 119.74 114.73 2qx3 s LYS 165 Ca 0.66 -1.50 -0.29 0.00 0.02 0.00 0.00 55.97 54.85 2qx3 s LYS 165 Cb -0.50 -4.09 -0.10 0.00 -0.52 0.00 0.00 37.83 32.62 2qx3 s LYS 165 CO 0.46 -1.11 1.12 0.00 -0.92 0.00 0.00 175.35 174.91 2qx3 n SER 167 N 1.26 2.15 0.00 0.00 2.88 -1.26 -1.54 113.62 117.11 2qx3 n SER 167 Ca -0.01 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 2qx3 n SER 167 Cb 0.44 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 2qx3 n SER 167 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qx3 n GLY 168 N 3.63 1.81 0.03 0.46 0.00 -1.26 -4.89 105.19 104.97 2qx3 n GLY 168 Ca 0.24 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.40 2qx3 n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qx3 n ALA 169 N 0.24 2.64 -0.61 4.61 0.00 -0.59 -5.02 120.51 121.79 2qx3 n ALA 169 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2qx3 n ALA 169 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.05 2qx3 n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qx3 n GLY 170 N 1.37 1.62 2.13 0.00 0.00 -1.26 -2.76 105.19 106.29 2qx3 n GLY 170 Ca 0.11 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 2qx3 n GLY 170 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qx3 n ASP 171 N 1.35 3.72 -2.76 1.61 2.03 -1.26 -4.63 116.55 116.62 2qx3 n ASP 171 Ca 0.00 -3.60 -0.19 0.00 0.52 0.00 0.00 54.79 51.53 2qx3 n ASP 171 Cb 0.00 -0.82 -0.00 0.00 -0.72 0.00 0.00 41.12 39.58 2qx3 n ASP 171 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qx3 n ALA 172 N -1.08 3.80 0.16 -1.67 0.00 -1.11 -4.79 120.51 115.81 2qx3 n ALA 172 Ca 0.57 -3.76 0.04 0.00 0.00 0.00 0.00 53.44 50.28 2qx3 n ALA 172 Cb 1.61 -0.79 0.43 0.00 0.00 0.00 0.00 19.45 20.70 2qx3 n ALA 172 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2qx3 h SER 173 N 2.88 0.13 -4.00 0.00 0.02 -1.82 -3.18 113.55 107.58 2qx3 h SER 173 Ca 0.09 -0.03 -0.31 0.00 -0.84 0.00 0.00 61.79 60.70 2qx3 h SER 173 Cb 0.96 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.39 2qx3 h SER 173 CO 0.65 0.30 -0.25 0.49 -1.14 0.00 0.00 176.83 176.88 2qx3 n PHE 174 N -4.29 -1.03 0.00 3.45 3.72 -1.26 -4.08 117.46 113.97 2qx3 n PHE 174 Ca -0.01 -2.19 0.00 0.00 -0.05 0.00 0.00 57.45 55.20 2qx3 n PHE 174 Cb 0.26 0.38 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 2qx3 n PHE 174 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2qx3 n ASP 175 N -1.78 0.00 -4.84 4.37 2.03 -1.11 -4.35 116.55 110.87 2qx3 n ASP 175 Ca 0.03 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.02 2qx3 n ASP 175 Cb 0.51 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.85 2qx3 n ASP 175 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2qx3 s GLY 176 N 0.00 2.30 -0.01 0.27 0.00 -1.26 -4.41 107.32 104.21 2qx3 s GLY 176 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 44.72 44.89 2qx3 s GLY 176 CO 0.00 0.41 -0.01 -1.33 0.00 0.00 0.00 173.10 172.17 2qx3 h GLY 177 N 1.93 0.00 -7.01 0.20 0.00 -1.03 -2.91 103.07 94.26 2qx3 h GLY 177 Ca -0.48 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.26 2qx3 h GLY 177 CO 0.63 0.00 -0.76 -0.42 0.00 0.00 0.00 176.54 175.99 2qx3 s ILE 178 N -1.05 0.86 0.07 2.60 1.01 -0.20 -1.74 121.20 122.75 2qx3 s ILE 178 Ca -0.01 -1.71 0.07 0.00 0.00 0.00 0.00 60.65 59.01 2qx3 s ILE 178 Cb 0.00 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 2qx3 s ILE 178 CO 0.01 -0.78 -0.15 -1.81 0.00 0.00 0.00 174.94 172.21 2qx3 s ASP 179 N 1.24 4.06 0.03 3.58 1.01 0.39 -3.59 116.67 123.39 2qx3 s ASP 179 Ca 0.13 -0.42 -0.01 0.00 0.71 0.00 0.00 52.55 52.96 2qx3 s ASP 179 Cb -0.20 -0.70 -0.02 0.00 1.01 0.00 0.00 42.92 43.00 2qx3 s ASP 179 CO -0.16 0.22 -0.01 0.00 0.21 0.00 0.00 175.17 175.44 2qx3 s MET 180 N -1.79 0.44 0.16 8.23 0.23 0.87 -0.59 119.30 126.86 2qx3 s MET 180 Ca 0.17 -0.80 -0.19 0.00 -1.03 0.00 0.00 55.69 53.85 2qx3 s MET 180 Cb -0.11 0.16 0.04 0.00 -1.53 0.00 0.00 34.83 33.40 2qx3 s MET 180 CO 0.09 -0.08 0.51 -1.59 -2.03 0.00 0.00 175.02 171.91 2qx3 s LYS 181 N -2.33 1.25 -1.21 3.16 -2.85 -0.80 -1.00 119.74 115.96 2qx3 s LYS 181 Ca -0.08 -0.70 -0.05 0.00 -1.00 0.00 0.00 55.97 54.15 2qx3 s LYS 181 Cb -0.03 0.52 0.01 0.00 -2.06 0.00 0.00 37.83 36.27 2qx3 s LYS 181 CO -0.04 -0.52 1.04 1.63 0.10 0.00 0.00 175.35 177.56 2qx3 n LYS 182 N -0.31 -6.96 -0.74 1.78 5.02 -1.26 -1.93 118.16 113.75 2qx3 n LYS 182 Ca -0.14 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 2qx3 n LYS 182 Cb 0.64 -5.69 0.00 0.00 -0.02 0.00 0.00 35.03 29.96 2qx3 n LYS 182 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qx3 n GLY 183 N -1.56 0.57 3.71 0.72 0.00 -1.23 -4.02 105.19 103.37 2qx3 n GLY 183 Ca -0.12 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 2qx3 n GLY 183 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qx3 n VAL 184 N -2.74 0.65 -4.01 1.61 0.31 -1.24 -4.67 118.33 108.24 2qx3 n VAL 184 Ca 0.00 -0.16 -0.08 0.00 -0.01 0.00 0.00 64.34 64.09 2qx3 n VAL 184 Cb 0.00 -1.80 -0.09 0.00 -0.91 0.00 0.00 33.84 31.04 2qx3 n VAL 184 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 2qx3 s HIS 185 N 0.35 0.37 -0.76 3.52 -3.43 -0.84 -4.14 115.29 110.36 2qx3 s HIS 185 Ca 0.69 -0.83 -0.00 0.00 -0.80 0.00 0.00 55.06 54.12 2qx3 s HIS 185 Cb -0.56 -0.27 -0.00 0.00 -1.43 0.00 0.00 32.58 30.32 2qx3 s HIS 185 CO 0.44 -0.39 0.71 0.72 -2.00 0.00 0.00 174.74 174.22 2qx3 n HIS 186 N 0.33 -2.94 -4.59 0.38 8.25 -0.37 -2.77 115.22 113.51 2qx3 n HIS 186 Ca -0.16 1.12 -0.23 0.00 -0.26 0.00 0.00 57.72 58.18 2qx3 n HIS 186 Cb 0.60 -4.08 -0.16 0.00 1.12 0.00 0.00 29.99 27.48 2qx3 n HIS 186 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2qx3 s VAL 187 N -3.02 1.09 -0.20 1.59 1.01 -0.80 -1.31 120.40 118.76 2qx3 s VAL 187 Ca 0.02 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 2qx3 s VAL 187 Cb -0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 2qx3 s VAL 187 CO 0.75 0.33 0.00 -0.89 0.00 0.00 0.00 175.10 175.29 2qx3 s THR 188 N 0.21 3.99 -0.36 3.92 2.01 -0.52 -0.80 115.64 124.10 2qx3 s THR 188 Ca -0.05 -0.30 -0.03 0.00 0.31 0.00 0.00 61.69 61.61 2qx3 s THR 188 Cb -0.11 -2.80 0.07 0.00 0.01 0.00 0.00 72.50 69.67 2qx3 s THR 188 CO 0.02 0.43 0.11 -0.69 -0.69 0.00 0.00 174.62 173.80 2qx3 s VAL 189 N 0.96 3.32 0.01 3.82 1.01 0.16 -1.21 120.40 128.47 2qx3 s VAL 189 Ca 0.01 -1.60 -0.00 0.00 0.00 0.00 0.00 61.98 60.39 2qx3 s VAL 189 Cb -0.14 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 2qx3 s VAL 189 CO 0.02 -0.37 -0.01 -0.94 0.00 0.00 0.00 175.10 173.80 2qx3 s SER 190 N 1.55 0.13 -1.37 3.32 1.04 -0.27 -1.31 113.70 116.79 2qx3 s SER 190 Ca 0.01 -0.27 -0.01 0.00 0.48 0.00 0.00 55.95 56.16 2qx3 s SER 190 Cb -0.21 0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.98 2qx3 s SER 190 CO -0.01 -0.18 0.06 -1.22 0.98 0.00 0.00 173.24 172.87 2qx3 n TYR 191 N 2.23 -1.32 -3.39 5.02 4.01 -0.84 -1.47 117.16 121.40 2qx3 n TYR 191 Ca -0.19 0.06 -0.31 0.00 -0.16 0.00 0.00 57.90 57.30 2qx3 n TYR 191 Cb 0.57 -3.32 -0.04 0.00 -0.31 0.00 0.00 39.34 36.23 2qx3 n TYR 191 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2qx3 s ASN 192 N -2.11 6.55 -0.22 7.72 0.01 -1.26 0.20 114.94 125.83 2qx3 s ASN 192 Ca 0.04 0.83 0.02 0.00 -0.71 0.00 0.00 52.86 53.03 2qx3 s ASN 192 Cb -0.02 -2.19 0.04 0.00 0.41 0.00 0.00 41.25 39.49 2qx3 s ASN 192 CO 0.05 -0.11 -0.15 -0.47 -1.51 0.00 0.00 177.10 174.90 2qx3 s TYR 193 N -1.91 3.03 -0.18 2.20 5.04 0.12 0.30 117.35 125.95 2qx3 s TYR 193 Ca 0.46 -1.98 0.01 0.00 -2.44 0.00 0.00 57.07 53.12 2qx3 s TYR 193 Cb -0.11 -1.93 0.04 0.00 0.35 0.00 0.00 41.96 40.31 2qx3 s TYR 193 CO 0.25 -0.84 -0.10 0.08 -1.34 0.00 0.00 175.55 173.59 2qx3 s VAL 194 N 1.20 1.56 -0.01 3.14 1.01 -0.31 -0.63 120.40 126.36 2qx3 s VAL 194 Ca -0.02 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 2qx3 s VAL 194 Cb -0.17 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.61 2qx3 s VAL 194 CO -0.09 0.23 0.12 -0.72 0.00 0.00 0.00 175.10 174.64 2qx3 s TYR 195 N 1.45 0.02 -1.18 5.22 -0.85 -0.67 -2.59 117.35 118.75 2qx3 s TYR 195 Ca 0.00 -0.07 -0.03 0.00 -0.52 0.00 0.00 57.07 56.46 2qx3 s TYR 195 Cb -0.15 -0.04 0.00 0.00 0.38 0.00 0.00 41.96 42.15 2qx3 s TYR 195 CO -0.09 -0.23 1.00 0.09 -1.52 0.00 0.00 175.55 174.80 2qx3 n ASN 196 N 1.78 -3.54 -3.88 -0.18 3.02 -0.26 -3.50 115.26 108.70 2qx3 n ASN 196 Ca -0.21 -0.55 -0.21 0.00 -0.03 0.00 0.00 54.58 53.58 2qx3 n ASN 196 Cb 0.56 -4.80 -0.17 0.00 -0.61 0.00 0.00 39.78 34.77 2qx3 n ASN 196 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2qx3 s TYR 197 N -3.32 0.83 -0.01 3.10 5.04 -1.16 -1.13 117.35 120.69 2qx3 s TYR 197 Ca 0.20 -0.26 -0.23 0.00 -2.44 0.00 0.00 57.07 54.34 2qx3 s TYR 197 Cb -0.09 -0.75 -0.19 0.00 0.35 0.00 0.00 41.96 41.28 2qx3 s TYR 197 CO 0.68 -0.24 1.20 0.37 -1.34 0.00 0.00 175.55 176.22 2qx3 h GLN 198 N 7.42 0.19 -4.11 4.97 4.15 -1.88 -2.68 115.11 123.16 2qx3 h GLN 198 Ca -0.34 -0.13 -0.64 0.00 0.77 0.00 0.00 58.65 58.31 2qx3 h GLN 198 Cb 1.15 0.02 -0.40 0.00 0.21 0.00 0.00 27.48 28.46 2qx3 h GLN 198 CO 0.43 0.74 -0.72 0.15 -1.93 0.00 0.00 178.83 177.51 2qx3 s LYS 199 N -3.83 1.35 -0.02 1.69 1.02 -1.26 -1.53 119.74 117.17 2qx3 s LYS 199 Ca -0.15 -1.80 -0.21 0.00 0.02 0.00 0.00 55.97 53.83 2qx3 s LYS 199 Cb 0.03 -2.87 -0.12 0.00 -0.52 0.00 0.00 37.83 34.35 2qx3 s LYS 199 CO 0.73 -0.99 0.87 0.28 -0.92 0.00 0.00 175.35 175.31 2qx3 h VAL 200 N 6.32 0.12 -2.17 3.17 2.07 -1.22 -2.70 116.25 121.84 2qx3 h VAL 200 Ca -0.07 -0.53 -0.21 0.00 0.82 0.00 0.00 66.70 66.71 2qx3 h VAL 200 Cb 0.99 0.19 -0.32 0.00 -1.52 0.00 0.00 31.29 30.63 2qx3 h VAL 200 CO 0.53 0.03 -0.53 0.00 0.02 0.00 0.00 177.57 177.61 2qx3 s ALA 201 N -4.36 -0.77 -0.01 1.67 0.00 0.92 -1.04 121.76 118.17 2qx3 s ALA 201 Ca -0.11 0.68 -0.13 0.00 0.00 0.00 0.00 51.96 52.39 2qx3 s ALA 201 Cb 0.01 -1.52 -0.05 0.00 0.00 0.00 0.00 23.12 21.56 2qx3 s ALA 201 CO 0.35 -1.21 0.37 -1.17 0.00 0.00 0.00 175.76 174.09 2qx3 s LEU 202 N 2.46 4.46 -0.36 0.00 2.96 -1.24 -1.48 118.68 125.49 2qx3 s LEU 202 Ca 0.10 0.89 0.01 0.00 -0.22 0.00 0.00 54.13 54.91 2qx3 s LEU 202 Cb -0.15 -2.52 0.14 0.00 0.50 0.00 0.00 46.19 44.16 2qx3 s LEU 202 CO -0.14 0.33 0.23 0.21 -1.32 0.00 0.00 176.35 175.66 2qx3 s ASN 203 N -1.09 2.73 0.00 3.68 3.84 0.34 -0.09 114.94 124.34 2qx3 s ASN 203 Ca 0.23 -2.33 0.00 0.00 0.21 0.00 0.00 52.86 50.97 2qx3 s ASN 203 Cb -0.16 -0.41 0.00 0.00 -0.55 0.00 0.00 41.25 40.13 2qx3 s ASN 203 CO 0.12 -0.29 0.00 0.61 -2.79 0.00 0.00 177.10 174.75 2qx3 n GLY 204 N 3.85 1.45 0.16 1.21 0.00 -0.17 -0.49 105.19 111.20 2qx3 n GLY 204 Ca 0.15 -1.16 0.12 0.00 0.00 0.00 0.00 46.02 45.12 2qx3 n GLY 204 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2qx3 h TYR 205 N 0.00 0.00 -2.80 1.61 -0.00 -1.91 -3.42 116.97 110.44 2qx3 h TYR 205 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.73 58.81 2qx3 h TYR 205 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 36.73 36.66 2qx3 h TYR 205 CO 0.00 0.00 0.30 -1.54 -0.00 0.00 0.00 178.16 176.92 2qx3 s SER 206 N -5.73 -0.30 0.62 0.10 1.04 -1.26 -5.01 113.70 103.16 2qx3 s SER 206 Ca 0.03 -0.43 0.39 0.00 0.48 0.00 0.00 55.95 56.42 2qx3 s SER 206 Cb 0.08 0.63 2.04 0.00 0.10 0.00 0.00 66.02 68.86 2qx3 s SER 206 CO 0.74 -1.14 2.24 0.44 0.98 0.00 0.00 173.24 176.50 2qx3 h ASP 207 N 2.00 0.00 -0.05 7.02 3.32 -1.98 -0.31 116.42 126.42 2qx3 h ASP 207 Ca -0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.82 2qx3 h ASP 207 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2qx3 h ASP 207 CO 0.26 0.01 0.00 -1.54 -1.72 0.00 0.00 179.24 176.26 2qx3 n SER 208 N -3.20 1.61 -4.06 6.45 3.41 -1.26 -4.67 113.62 111.91 2qx3 n SER 208 Ca -0.02 -1.57 -0.40 0.00 -0.26 0.00 0.00 58.87 56.62 2qx3 n SER 208 Cb 0.15 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 2qx3 n SER 208 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2qx3 n ASP 209 N 0.27 3.49 0.18 4.04 2.03 -0.13 -4.74 116.55 121.70 2qx3 n ASP 209 Ca 0.18 -2.78 0.05 0.00 0.52 0.00 0.00 54.79 52.77 2qx3 n ASP 209 Cb 0.36 -1.52 0.32 0.00 -0.72 0.00 0.00 41.12 39.56 2qx3 n ASP 209 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2qx3 h THR 210 N 4.95 0.93 0.00 5.18 1.35 -1.86 -2.87 112.91 120.59 2qx3 h THR 210 Ca 0.42 -1.57 -0.00 0.00 -0.55 0.00 0.00 66.41 64.71 2qx3 h THR 210 Cb 0.76 1.94 -0.00 0.00 -1.73 0.00 0.00 68.15 69.13 2qx3 h THR 210 CO 1.68 0.39 -0.01 0.11 -0.25 0.00 0.00 175.52 177.43 2qx3 h LYS 211 N 0.00 0.00 0.00 4.72 1.57 -1.90 -2.76 116.57 118.20 2qx3 h LYS 211 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qx3 h LYS 211 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 2qx3 h LYS 211 CO 0.05 0.01 0.00 -1.71 -0.57 0.00 0.00 179.45 177.23 2qx3 n ASN 212 N -3.96 0.00 0.27 0.86 5.15 -1.08 -1.99 115.26 114.51 2qx3 n ASN 212 Ca -0.03 0.01 0.13 0.00 -0.60 0.00 0.00 54.58 54.10 2qx3 n ASN 212 Cb 0.10 -0.21 0.78 0.00 -0.53 0.00 0.00 39.78 39.92 2qx3 n ASN 212 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 2qx3 h SER 213 N 0.00 0.00 0.92 1.20 4.64 -1.71 -2.17 113.55 116.43 2qx3 h SER 213 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qx3 h SER 213 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2qx3 h SER 213 CO 0.00 0.08 0.00 0.00 -0.87 0.00 0.00 176.83 176.04 2qx3 n ALA 214 N -2.30 2.14 -1.80 5.18 0.00 -0.84 -3.92 120.51 118.96 2qx3 n ALA 214 Ca -0.02 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 2qx3 n ALA 214 Cb 0.19 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 2qx3 n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qx3 s ALA 215 N -3.02 3.80 -0.25 0.00 0.00 -0.82 -4.69 121.76 116.78 2qx3 s ALA 215 Ca 0.12 1.51 -0.03 0.00 0.00 0.00 0.00 51.96 53.56 2qx3 s ALA 215 Cb 0.16 -3.65 0.08 0.00 0.00 0.00 0.00 23.12 19.71 2qx3 s ALA 215 CO 0.47 -0.90 0.09 1.03 0.00 0.00 0.00 175.76 176.45 2qx3 s ARG 216 N 0.36 0.39 -0.05 0.00 1.81 -1.25 -1.28 118.95 118.94 2qx3 s ARG 216 Ca 0.68 -0.52 0.02 0.00 -1.72 0.00 0.00 55.73 54.19 2qx3 s ARG 216 Cb -0.47 -1.72 0.01 0.00 -0.45 0.00 0.00 34.95 32.32 2qx3 s ARG 216 CO 0.39 -0.84 -0.11 0.99 -0.68 0.00 0.00 175.30 175.05 2qx3 s THR 217 N 1.94 0.97 -0.25 0.02 2.01 -0.95 -1.24 115.64 118.14 2qx3 s THR 217 Ca 0.05 -0.42 -0.07 0.00 0.31 0.00 0.00 61.69 61.57 2qx3 s THR 217 Cb -0.17 -0.88 -0.02 0.00 0.01 0.00 0.00 72.50 71.44 2qx3 s THR 217 CO -0.21 0.31 0.06 -0.89 -0.69 0.00 0.00 174.62 173.20 2qx3 s THR 218 N 0.48 4.20 -0.31 -0.82 2.01 0.02 -1.03 115.64 120.19 2qx3 s THR 218 Ca -0.09 -0.26 -0.07 0.00 0.31 0.00 0.00 61.69 61.58 2qx3 s THR 218 Cb -0.13 -2.99 0.02 0.00 0.01 0.00 0.00 72.50 69.41 2qx3 s THR 218 CO 0.02 0.31 0.09 -0.31 -0.69 0.00 0.00 174.62 174.05 2qx3 s TYR 219 N 1.59 3.17 -0.01 4.92 1.51 0.20 0.40 117.35 129.14 2qx3 s TYR 219 Ca 0.06 -1.05 -0.05 0.00 -1.01 0.00 0.00 57.07 55.03 2qx3 s TYR 219 Cb -0.15 -2.27 0.00 0.00 -0.11 0.00 0.00 41.96 39.43 2qx3 s TYR 219 CO 0.03 -0.60 0.09 -3.38 -1.11 0.00 0.00 175.55 170.58 2qx3 s HIS 220 N 1.49 0.02 -1.96 2.71 -3.43 -0.43 -1.49 115.29 112.20 2qx3 s HIS 220 Ca 0.02 -0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.23 2qx3 s HIS 220 Cb -0.18 -0.04 0.00 0.00 -1.43 0.00 0.00 32.58 30.93 2qx3 s HIS 220 CO 0.03 -0.18 0.00 0.72 -2.00 0.00 0.00 174.74 173.31 2qx3 n HIS 221 N 2.07 -0.62 -3.19 0.38 8.25 -0.92 -1.98 115.22 119.21 2qx3 n HIS 221 Ca -0.19 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 56.93 2qx3 n HIS 221 Cb 0.57 -3.81 -0.06 0.00 1.12 0.00 0.00 29.99 27.81 2qx3 n HIS 221 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2qx3 s ASN 222 N -2.33 6.82 -0.25 0.41 0.01 -1.26 -2.93 114.94 115.42 2qx3 s ASN 222 Ca 0.00 1.24 -0.07 0.00 -0.71 0.00 0.00 52.86 53.32 2qx3 s ASN 222 Cb 0.00 -2.35 -0.03 0.00 0.41 0.00 0.00 41.25 39.28 2qx3 s ASN 222 CO 0.00 -0.10 0.07 -0.60 -1.51 0.00 0.00 177.10 174.96 2qx3 s ARG 223 N -2.62 3.63 -0.26 -0.60 3.52 0.15 -1.22 118.95 121.54 2qx3 s ARG 223 Ca 0.49 -0.49 0.02 0.00 -0.13 0.00 0.00 55.73 55.62 2qx3 s ARG 223 Cb -0.12 -3.32 0.06 0.00 -1.56 0.00 0.00 34.95 30.00 2qx3 s ARG 223 CO 0.19 -0.20 -0.10 -0.06 -0.81 0.00 0.00 175.30 174.32 2qx3 s PHE 224 N 1.61 3.26 -0.04 5.12 0.08 0.20 -1.16 117.98 127.05 2qx3 s PHE 224 Ca 0.06 -2.27 -0.01 0.00 0.12 0.00 0.00 56.93 54.83 2qx3 s PHE 224 Cb -0.15 -1.95 0.03 0.00 -0.57 0.00 0.00 43.02 40.38 2qx3 s PHE 224 CO 0.03 -0.87 0.07 -2.00 -0.10 0.00 0.00 175.22 172.36 2qx3 s GLU 225 N 1.12 0.02 -1.07 0.44 2.12 -1.07 -1.54 118.70 118.72 2qx3 s GLU 225 Ca -0.08 0.24 -0.12 0.00 0.36 0.00 0.00 54.97 55.37 2qx3 s GLU 225 Cb -0.20 -0.20 -0.04 0.00 0.26 0.00 0.00 34.13 33.95 2qx3 s GLU 225 CO -0.05 -0.15 0.85 -1.71 -0.54 0.00 0.00 175.26 173.66 2qx3 n ASN 226 N 4.09 -6.11 -4.23 -1.70 5.15 -0.93 -2.98 115.26 108.54 2qx3 n ASN 226 Ca -0.26 -0.82 -0.14 0.00 -0.60 0.00 0.00 54.58 52.76 2qx3 n ASN 226 Cb 0.52 -4.37 -0.10 0.00 -0.53 0.00 0.00 39.78 35.30 2qx3 n ASN 226 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2qx3 s VAL 227 N -3.40 1.09 -0.27 3.44 -7.23 -0.96 -1.10 120.40 111.98 2qx3 s VAL 227 Ca 0.44 -2.01 -0.12 0.00 -1.81 0.00 0.00 61.98 58.48 2qx3 s VAL 227 Cb -0.11 -1.79 -0.13 0.00 0.56 0.00 0.00 36.38 34.92 2qx3 s VAL 227 CO 0.80 -0.74 -0.31 -0.62 -0.31 0.00 0.00 175.10 173.92 2qx3 n GLU 228 N -0.11 0.60 -3.83 4.82 1.02 -1.01 -1.68 120.64 120.46 2qx3 n GLU 228 Ca -0.11 0.26 -0.08 0.00 -0.02 0.00 0.00 57.16 57.21 2qx3 n GLU 228 Cb 0.60 -1.51 0.01 0.00 -0.02 0.00 0.00 31.44 30.52 2qx3 n GLU 228 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2qx3 s SER 229 N -7.33 -0.09 -0.43 1.62 1.04 -0.58 -0.79 113.70 107.13 2qx3 s SER 229 Ca -0.38 -0.93 -0.00 0.00 0.48 0.00 0.00 55.95 55.13 2qx3 s SER 229 Cb 0.14 0.79 0.00 0.00 0.10 0.00 0.00 66.02 67.04 2qx3 s SER 229 CO 0.51 -1.53 0.41 0.54 0.98 0.00 0.00 173.24 174.16 2qx3 n ARG 230 N -0.51 -0.77 -3.05 4.02 1.74 -1.25 -1.72 116.66 115.11 2qx3 n ARG 230 Ca -0.07 1.09 -0.15 0.00 -0.77 0.00 0.00 57.85 57.94 2qx3 n ARG 230 Cb 0.60 -4.00 -0.00 0.00 -1.02 0.00 0.00 32.46 28.03 2qx3 n ARG 230 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2qx3 n VAL 231 N -1.45 -0.03 -2.93 1.55 0.31 -0.80 -0.06 118.33 114.91 2qx3 n VAL 231 Ca 0.00 -3.87 -0.19 0.00 -0.01 0.00 0.00 64.34 60.28 2qx3 n VAL 231 Cb 0.50 0.15 0.02 0.00 -0.91 0.00 0.00 33.84 33.59 2qx3 n VAL 231 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2qx3 s PRO 232 N -1.98 2.78 -0.54 5.55 0.04 -1.26 -2.27 135.00 137.32 2qx3 s PRO 232 Ca 0.35 -1.04 -0.27 0.00 0.04 0.00 0.00 61.00 60.09 2qx3 s PRO 232 Cb 0.35 -2.67 0.03 0.00 0.04 0.00 0.00 34.50 32.25 2qx3 s PRO 232 CO -0.06 -0.38 1.09 -1.17 0.04 0.00 0.00 177.00 176.52 2qx3 s LEU 233 N -4.48 3.70 -0.21 -3.56 0.20 -0.55 -0.42 118.68 113.37 2qx3 s LEU 233 Ca 0.54 0.07 -0.06 0.00 0.69 0.00 0.00 54.13 55.38 2qx3 s LEU 233 Cb -0.10 -3.16 -0.03 0.00 -0.43 0.00 0.00 46.19 42.47 2qx3 s LEU 233 CO 0.35 -1.33 0.02 -1.58 -0.29 0.00 0.00 176.35 173.51 2qx3 s GLN 234 N 4.49 3.65 -0.20 1.98 0.74 0.54 -0.51 119.66 130.34 2qx3 s GLN 234 Ca 0.40 -0.50 -0.02 0.00 0.05 0.00 0.00 55.36 55.29 2qx3 s GLN 234 Cb -0.09 -3.13 -0.00 0.00 1.10 0.00 0.00 33.01 30.89 2qx3 s GLN 234 CO 0.25 -0.01 -0.09 1.03 -0.55 0.00 0.00 175.29 175.92 2qx3 s ARG 235 N 1.07 3.26 0.72 1.67 0.52 0.35 0.12 118.95 126.67 2qx3 s ARG 235 Ca 0.03 -0.69 0.00 0.00 -0.52 0.00 0.00 55.73 54.55 2qx3 s ARG 235 Cb -0.14 -2.86 0.00 0.00 0.52 0.00 0.00 34.95 32.47 2qx3 s ARG 235 CO 0.02 -0.18 0.00 0.54 0.02 0.00 0.00 175.30 175.70 2qx3 n ARG 236 N 4.67 -1.91 -0.24 3.54 1.74 -0.70 -4.59 116.66 119.17 2qx3 n ARG 236 Ca -0.19 1.26 0.03 0.00 -0.77 0.00 0.00 57.85 58.18 2qx3 n ARG 236 Cb 0.51 -2.33 -0.01 0.00 -1.02 0.00 0.00 32.46 29.61 2qx3 n ARG 236 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qx3 n GLY 237 N -2.86 -1.79 3.23 -0.13 0.00 -1.17 -4.48 105.19 97.98 2qx3 n GLY 237 Ca 0.01 -1.29 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 2qx3 n GLY 237 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qx3 s LEU 238 N 0.00 2.02 0.09 0.99 1.43 -0.40 -2.04 118.68 120.77 2qx3 s LEU 238 Ca 0.00 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.71 2qx3 s LEU 238 Cb 0.00 -1.20 -0.03 0.00 0.03 0.00 0.00 46.19 44.99 2qx3 s LEU 238 CO 0.00 0.23 -0.11 -0.94 0.23 0.00 0.00 176.35 175.77 2qx3 s SER 239 N -0.25 1.50 -0.23 2.29 1.04 -0.64 -2.25 113.70 115.16 2qx3 s SER 239 Ca 0.01 -0.78 0.02 0.00 0.48 0.00 0.00 55.95 55.67 2qx3 s SER 239 Cb -0.11 -0.00 0.05 0.00 0.10 0.00 0.00 66.02 66.05 2qx3 s SER 239 CO 0.02 -0.23 -0.11 -2.28 0.98 0.00 0.00 173.24 171.62 2qx3 s HIS 240 N -2.25 2.80 -0.35 5.02 2.46 -0.20 -0.40 115.29 122.37 2qx3 s HIS 240 Ca 0.04 -1.93 0.01 0.00 0.47 0.00 0.00 55.06 53.65 2qx3 s HIS 240 Cb -0.04 -1.78 0.09 0.00 -0.13 0.00 0.00 32.58 30.72 2qx3 s HIS 240 CO 0.01 -0.81 0.09 0.42 -2.47 0.00 0.00 174.74 171.97 2qx3 s ILE 241 N 1.26 2.72 0.02 0.89 1.01 0.14 -0.63 121.20 126.61 2qx3 s ILE 241 Ca -0.04 -2.07 0.00 0.00 0.00 0.00 0.00 60.65 58.54 2qx3 s ILE 241 Cb -0.18 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.41 2qx3 s ILE 241 CO -0.07 -0.53 -0.03 -0.72 0.00 0.00 0.00 174.94 173.60 2qx3 s TYR 242 N 1.05 0.22 -1.75 3.97 -0.85 -0.56 -0.48 117.35 118.95 2qx3 s TYR 242 Ca 0.06 -0.43 0.00 0.00 -0.52 0.00 0.00 57.07 56.18 2qx3 s TYR 242 Cb -0.21 -0.16 0.00 0.00 0.38 0.00 0.00 41.96 41.98 2qx3 s TYR 242 CO -0.06 -0.15 0.00 0.09 -1.52 0.00 0.00 175.55 173.91 2qx3 n ASN 243 N 1.87 -5.69 -4.89 -0.18 3.02 -0.86 -2.79 115.26 105.75 2qx3 n ASN 243 Ca -0.22 0.05 -0.33 0.00 -0.03 0.00 0.00 54.58 54.05 2qx3 n ASN 243 Cb 0.56 -4.77 -0.05 0.00 -0.61 0.00 0.00 39.78 34.91 2qx3 n ASN 243 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2qx3 s ASN 244 N -2.11 6.55 -0.23 6.41 0.01 -1.26 -2.17 114.94 122.14 2qx3 s ASN 244 Ca 0.00 0.68 -0.06 0.00 -0.71 0.00 0.00 52.86 52.77 2qx3 s ASN 244 Cb 0.00 -2.13 -0.02 0.00 0.41 0.00 0.00 41.25 39.51 2qx3 s ASN 244 CO 0.00 0.09 0.01 -0.47 -1.51 0.00 0.00 177.10 175.22 2qx3 s TYR 245 N -1.57 3.03 -0.17 2.20 5.04 -0.36 -0.73 117.35 124.79 2qx3 s TYR 245 Ca 0.38 -0.64 -0.02 0.00 -2.44 0.00 0.00 57.07 54.35 2qx3 s TYR 245 Cb -0.13 -2.17 -0.01 0.00 0.35 0.00 0.00 41.96 40.01 2qx3 s TYR 245 CO 0.22 -0.42 -0.09 -0.06 -1.34 0.00 0.00 175.55 173.85 2qx3 s PHE 246 N 1.49 2.88 -0.11 4.97 0.08 -0.59 -0.63 117.98 126.07 2qx3 s PHE 246 Ca 0.06 -0.76 -0.06 0.00 0.12 0.00 0.00 56.93 56.29 2qx3 s PHE 246 Cb -0.15 -1.95 0.05 0.00 -0.57 0.00 0.00 43.02 40.40 2qx3 s PHE 246 CO 0.01 -0.34 0.27 1.21 -0.10 0.00 0.00 175.22 176.27 2qx3 s ASN 247 N 0.78 -0.30 -1.11 1.36 2.47 -0.59 -1.46 114.94 116.09 2qx3 s ASN 247 Ca -0.04 0.58 -0.09 0.00 0.42 0.00 0.00 52.86 53.73 2qx3 s ASN 247 Cb -0.15 0.48 -0.04 0.00 -1.45 0.00 0.00 41.25 40.09 2qx3 s ASN 247 CO 0.01 -0.16 0.87 0.59 -3.72 0.00 0.00 177.10 174.70 2qx3 n ASN 248 N 4.05 -5.46 -4.25 -4.21 5.03 0.45 -2.19 115.26 108.67 2qx3 n ASN 248 Ca -0.23 -0.80 -0.39 0.00 0.87 0.00 0.00 54.58 54.03 2qx3 n ASN 248 Cb 0.54 -4.62 -0.11 0.00 -1.02 0.00 0.00 39.78 34.58 2qx3 n ASN 248 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2qx3 s VAL 249 N -3.43 4.01 -0.21 2.41 1.01 -0.49 -2.24 120.40 121.47 2qx3 s VAL 249 Ca 0.39 -1.41 0.22 0.00 0.00 0.00 0.00 61.98 61.17 2qx3 s VAL 249 Cb -0.08 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 2qx3 s VAL 249 CO 0.78 -0.45 0.97 0.35 0.00 0.00 0.00 175.10 176.75 2qx3 n THR 250 N 4.86 0.65 -0.03 3.92 -2.24 -0.67 -0.92 114.28 119.84 2qx3 n THR 250 Ca -0.10 -0.56 -0.06 0.00 -2.27 0.00 0.00 64.05 61.05 2qx3 n THR 250 Cb 0.43 -0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 68.28 2qx3 n THR 250 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2qx3 n THR 251 N -2.67 1.20 -3.45 4.28 -1.04 0.03 -4.66 114.28 107.96 2qx3 n THR 251 Ca -0.02 0.17 -0.14 0.00 -2.04 0.00 0.00 64.05 62.03 2qx3 n THR 251 Cb 0.59 -1.87 -0.03 0.00 -1.82 0.00 0.00 70.33 67.19 2qx3 n THR 251 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2qx3 s SER 252 N -6.01 -0.60 0.00 8.00 1.04 -0.58 -4.35 113.70 111.20 2qx3 s SER 252 Ca -0.14 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.50 2qx3 s SER 252 Cb 0.03 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.73 2qx3 s SER 252 CO 0.20 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.17 2qx3 n GLY 253 N 0.00 0.51 3.65 7.32 0.00 -0.33 -3.93 105.19 112.42 2qx3 n GLY 253 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 2qx3 n GLY 253 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qx3 s ILE 254 N 2.39 3.80 -0.36 -0.61 1.01 0.30 -1.90 121.20 125.83 2qx3 s ILE 254 Ca 0.00 0.95 0.03 0.00 0.00 0.00 0.00 60.65 61.63 2qx3 s ILE 254 Cb 0.00 -3.70 0.11 0.00 0.01 0.00 0.00 42.46 38.88 2qx3 s ILE 254 CO 0.00 -0.18 0.09 0.21 0.00 0.00 0.00 174.94 175.07 2qx3 s ASN 255 N 3.33 4.53 -0.22 3.58 3.84 0.44 -0.66 114.94 129.78 2qx3 s ASN 255 Ca 0.68 -2.20 -0.12 0.00 0.21 0.00 0.00 52.86 51.43 2qx3 s ASN 255 Cb -0.27 -1.47 -0.05 0.00 -0.55 0.00 0.00 41.25 38.91 2qx3 s ASN 255 CO 0.26 -0.36 0.23 -0.69 -2.79 0.00 0.00 177.10 173.75 2qx3 s VAL 256 N 0.85 5.31 0.14 -5.21 1.01 -0.51 -0.34 120.40 121.65 2qx3 s VAL 256 Ca 0.12 0.35 -0.00 0.00 0.00 0.00 0.00 61.98 62.45 2qx3 s VAL 256 Cb -0.20 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2qx3 s VAL 256 CO -0.10 0.33 0.03 -0.13 0.00 0.00 0.00 175.10 175.22 2qx3 s ARG 257 N 1.06 0.95 -1.37 2.72 0.52 0.12 -1.78 118.95 121.17 2qx3 s ARG 257 Ca 0.11 -1.44 -0.06 0.00 -0.52 0.00 0.00 55.73 53.81 2qx3 s ARG 257 Cb -0.14 0.06 0.03 0.00 0.52 0.00 0.00 34.95 35.42 2qx3 s ARG 257 CO 0.05 -0.19 0.98 -1.33 0.02 0.00 0.00 175.30 174.82 2qx3 n MET 258 N -0.12 -6.30 -0.90 3.54 2.81 -0.19 -1.72 117.12 114.24 2qx3 n MET 258 Ca -0.07 0.72 0.00 0.00 -1.81 0.00 0.00 57.70 56.54 2qx3 n MET 258 Cb 0.63 -5.60 0.00 0.00 -0.71 0.00 0.00 33.22 27.54 2qx3 n MET 258 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qx3 n GLY 259 N -1.65 0.55 3.73 3.03 0.00 0.19 -3.58 105.19 107.47 2qx3 n GLY 259 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 2qx3 n GLY 259 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qx3 s GLY 260 N -2.00 2.67 -0.06 -0.02 0.00 -0.82 -4.75 107.32 102.34 2qx3 s GLY 260 Ca 0.00 1.06 0.03 0.00 0.00 0.00 0.00 44.72 45.82 2qx3 s GLY 260 CO 0.00 1.47 -0.17 -0.42 0.00 0.00 0.00 173.10 173.98 2qx3 s ILE 261 N -1.63 1.47 -0.13 0.90 1.01 -0.87 -0.21 121.20 121.75 2qx3 s ILE 261 Ca 0.79 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.75 2qx3 s ILE 261 Cb -0.33 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 2qx3 s ILE 261 CO 0.40 0.43 -0.18 0.00 0.00 0.00 0.00 174.94 175.59 2qx3 s ALA 262 N 0.34 2.42 -0.44 9.38 0.00 -0.54 -1.62 121.76 131.30 2qx3 s ALA 262 Ca -0.11 -0.97 -0.24 0.00 0.00 0.00 0.00 51.96 50.64 2qx3 s ALA 262 Cb -0.15 -1.08 0.02 0.00 0.00 0.00 0.00 23.12 21.92 2qx3 s ALA 262 CO 0.04 0.17 0.86 0.21 0.00 0.00 0.00 175.76 177.04 2qx3 s LYS 263 N 0.50 3.51 -0.37 0.00 2.20 0.46 -0.81 119.74 125.23 2qx3 s LYS 263 Ca -0.12 0.08 -0.08 0.00 -0.36 0.00 0.00 55.97 55.49 2qx3 s LYS 263 Cb -0.16 -3.92 0.05 0.00 -1.51 0.00 0.00 37.83 32.29 2qx3 s LYS 263 CO 0.05 -1.14 0.18 0.42 -0.36 0.00 0.00 175.35 174.50 2qx3 s ILE 264 N 3.50 4.09 -0.06 5.43 1.01 -0.26 0.24 121.20 135.15 2qx3 s ILE 264 Ca 0.34 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.83 2qx3 s ILE 264 Cb -0.11 -3.37 0.02 0.00 0.01 0.00 0.00 42.46 39.01 2qx3 s ILE 264 CO 0.24 -0.30 -0.04 -0.70 0.00 0.00 0.00 174.94 174.14 2qx3 s GLU 265 N 1.44 0.89 -1.55 2.79 2.12 0.37 -1.34 118.70 123.42 2qx3 s GLU 265 Ca 0.01 -0.09 -0.12 0.00 0.36 0.00 0.00 54.97 55.13 2qx3 s GLU 265 Cb -0.20 -0.97 0.09 0.00 0.26 0.00 0.00 34.13 33.30 2qx3 s GLU 265 CO 0.03 -0.14 0.80 0.43 -0.54 0.00 0.00 175.26 175.84 2qx3 n SER 266 N 4.38 -3.24 -4.93 -1.70 7.64 -0.18 -2.02 113.62 113.56 2qx3 n SER 266 Ca -0.19 -0.90 -0.25 0.00 1.01 0.00 0.00 58.87 58.53 2qx3 n SER 266 Cb 0.51 -3.37 0.03 0.00 -1.01 0.00 0.00 64.21 60.36 2qx3 n SER 266 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2qx3 s ASN 267 N -3.57 5.53 -0.27 6.43 0.01 -1.26 -2.36 114.94 119.45 2qx3 s ASN 267 Ca 0.53 0.52 0.03 0.00 -0.71 0.00 0.00 52.86 53.23 2qx3 s ASN 267 Cb -0.28 -1.53 0.07 0.00 0.41 0.00 0.00 41.25 39.92 2qx3 s ASN 267 CO 0.87 -1.05 -0.09 -0.47 -1.51 0.00 0.00 177.10 174.86 2qx3 s TYR 268 N -2.90 3.33 -0.18 2.20 5.04 0.09 -0.53 117.35 124.39 2qx3 s TYR 268 Ca 0.54 -2.41 -0.06 0.00 -2.44 0.00 0.00 57.07 52.69 2qx3 s TYR 268 Cb -0.10 -2.06 -0.04 0.00 0.35 0.00 0.00 41.96 40.11 2qx3 s TYR 268 CO 0.43 -0.89 0.03 -0.06 -1.34 0.00 0.00 175.55 173.72 2qx3 s PHE 269 N 1.08 3.17 0.05 4.97 0.40 -0.21 -1.55 117.98 125.89 2qx3 s PHE 269 Ca -0.06 -0.08 -0.11 0.00 -0.60 0.00 0.00 56.93 56.08 2qx3 s PHE 269 Cb -0.20 -2.06 0.01 0.00 0.51 0.00 0.00 43.02 41.28 2qx3 s PHE 269 CO -0.05 0.05 0.24 -1.83 0.70 0.00 0.00 175.22 174.32 2qx3 s GLU 270 N 0.48 0.76 -1.28 0.44 -1.05 -0.53 -0.03 118.70 117.49 2qx3 s GLU 270 Ca 0.01 -0.64 -0.20 0.00 -0.15 0.00 0.00 54.97 53.99 2qx3 s GLU 270 Cb -0.13 0.32 0.02 0.00 -0.44 0.00 0.00 34.13 33.90 2qx3 s GLU 270 CO 0.01 -0.24 0.55 0.09 0.95 0.00 0.00 175.26 176.63 2qx3 n ASN 271 N 0.52 -2.95 -3.79 0.83 5.03 -0.27 -3.30 115.26 111.32 2qx3 n ASN 271 Ca -0.18 -1.19 -0.17 0.00 0.87 0.00 0.00 54.58 53.92 2qx3 n ASN 271 Cb 0.60 -2.28 -0.16 0.00 -1.02 0.00 0.00 39.78 36.91 2qx3 n ASN 271 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 2qx3 s ILE 272 N -3.73 0.08 0.06 2.41 2.07 -0.83 -0.41 121.20 120.85 2qx3 s ILE 272 Ca 0.33 0.16 -0.20 0.00 -1.41 0.00 0.00 60.65 59.54 2qx3 s ILE 272 Cb -0.16 -0.20 -0.06 0.00 0.13 0.00 0.00 42.46 42.16 2qx3 s ILE 272 CO 0.94 0.13 0.58 -0.75 -1.91 0.00 0.00 174.94 173.93 2qx3 s LYS 273 N 1.18 4.23 -1.31 3.50 2.20 -0.10 -1.99 119.74 127.45 2qx3 s LYS 273 Ca -0.08 0.75 -0.09 0.00 -0.36 0.00 0.00 55.97 56.19 2qx3 s LYS 273 Cb -0.13 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 2qx3 s LYS 273 CO -0.02 0.59 0.54 0.09 -0.36 0.00 0.00 175.35 176.19 2qx3 n ASN 274 N 1.89 -2.12 -0.15 1.43 5.03 0.35 -3.53 115.26 118.17 2qx3 n ASN 274 Ca -0.10 -1.05 0.05 0.00 0.87 0.00 0.00 54.58 54.36 2qx3 n ASN 274 Cb 0.51 -2.99 0.35 0.00 -1.02 0.00 0.00 39.78 36.64 2qx3 n ASN 274 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 2qx3 h PRO 275 N -1.92 0.73 -3.72 3.52 0.13 -1.80 -0.85 132.00 128.08 2qx3 h PRO 275 Ca -0.65 -0.04 -0.47 0.00 -0.87 0.00 0.00 66.00 63.97 2qx3 h PRO 275 Cb 1.37 -0.16 -0.38 0.00 0.13 0.00 0.00 31.00 31.96 2qx3 h PRO 275 CO 0.57 0.48 -0.77 0.08 -0.23 0.00 0.00 178.00 178.13 2qx3 s VAL 276 N -5.66 0.49 0.12 1.56 1.01 -1.26 -0.54 120.40 116.12 2qx3 s VAL 276 Ca -0.10 -0.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.67 2qx3 s VAL 276 Cb 0.19 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.87 2qx3 s VAL 276 CO 0.77 0.16 0.32 0.28 0.00 0.00 0.00 175.10 176.62 2qx3 s THR 277 N 1.91 0.09 -0.14 3.92 -1.32 0.16 -1.53 115.64 118.75 2qx3 s THR 277 Ca 0.04 -0.90 -0.00 0.00 -1.21 0.00 0.00 61.69 59.61 2qx3 s THR 277 Cb -0.13 -1.34 0.03 0.00 -1.51 0.00 0.00 72.50 69.55 2qx3 s THR 277 CO -0.06 -0.42 -0.08 -0.55 -2.21 0.00 0.00 174.62 171.30 2qx3 s SER 278 N -2.85 2.50 0.00 8.08 0.15 -0.03 -1.42 113.70 120.14 2qx3 s SER 278 Ca 0.06 -0.46 -0.22 0.00 0.70 0.00 0.00 55.95 56.03 2qx3 s SER 278 Cb 0.03 -0.93 0.05 0.00 -1.71 0.00 0.00 66.02 63.46 2qx3 s SER 278 CO -0.10 -0.13 0.49 0.00 1.20 0.00 0.00 173.24 174.70 2qx3 s ARG 279 N 1.64 0.92 0.00 5.44 1.70 -1.26 -0.86 118.95 126.53 2qx3 s ARG 279 Ca 0.03 -0.11 0.00 0.00 -0.47 0.00 0.00 55.73 55.18 2qx3 s ARG 279 Cb -0.14 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.66 2qx3 s ARG 279 CO -0.08 -0.30 0.00 -0.25 -1.08 0.00 0.00 175.30 173.59 2qx3 n ASP 280 N 0.80 0.00 -4.95 -2.89 8.00 -1.26 -4.96 116.55 111.28 2qx3 n ASP 280 Ca -0.19 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.11 2qx3 n ASP 280 Cb 0.58 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.67 2qx3 n ASP 280 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2qx3 s SER 281 N -3.12 5.64 0.35 -2.24 0.01 -1.26 -5.02 113.70 108.05 2qx3 s SER 281 Ca 0.00 -0.37 0.15 0.00 1.31 0.00 0.00 55.95 57.04 2qx3 s SER 281 Cb 0.00 -0.97 0.64 0.00 0.21 0.00 0.00 66.02 65.91 2qx3 s SER 281 CO 0.00 -0.51 1.75 0.77 0.41 0.00 0.00 173.24 175.65 2qx3 h SER 282 N 0.93 0.00 -4.33 2.44 4.64 -1.95 -3.44 113.55 111.84 2qx3 h SER 282 Ca -0.44 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.28 2qx3 h SER 282 Cb 1.26 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.08 2qx3 h SER 282 CO 0.53 0.43 -0.85 -1.61 -0.87 0.00 0.00 176.83 174.46 2qx3 s GLU 283 N -3.82 1.54 0.65 4.77 2.02 -1.26 -4.92 118.70 117.67 2qx3 s GLU 283 Ca -0.01 -0.90 -0.11 0.00 0.02 0.00 0.00 54.97 53.96 2qx3 s GLU 283 Cb 0.13 -1.61 -0.02 0.00 0.10 0.00 0.00 34.13 32.73 2qx3 s GLU 283 CO 0.71 0.42 1.04 0.96 0.02 0.00 0.00 175.26 178.42 2qx3 s ILE 284 N -0.70 4.43 0.55 -1.63 -4.36 -1.26 -1.02 121.20 117.20 2qx3 s ILE 284 Ca 0.08 0.79 0.03 0.00 -0.26 0.00 0.00 60.65 61.29 2qx3 s ILE 284 Cb -0.09 -3.69 0.03 0.00 1.25 0.00 0.00 42.46 39.97 2qx3 s ILE 284 CO 0.01 -1.03 0.27 -0.83 0.24 0.00 0.00 174.94 173.60 2qx3 s GLY 285 N -4.04 2.65 0.12 6.27 0.00 -0.73 -0.63 107.32 110.95 2qx3 s GLY 285 Ca 0.56 -0.76 0.03 0.00 0.00 0.00 0.00 44.72 44.55 2qx3 s GLY 285 CO 0.54 -2.05 -0.08 -0.19 0.00 0.00 0.00 173.10 171.32 2qx3 s TYR 286 N -2.84 1.06 -0.01 1.90 2.02 0.71 -4.78 117.35 115.41 2qx3 s TYR 286 Ca 0.21 -0.85 0.01 0.00 -0.37 0.00 0.00 57.07 56.07 2qx3 s TYR 286 Cb -0.02 -0.57 0.00 0.00 -0.40 0.00 0.00 41.96 40.97 2qx3 s TYR 286 CO 0.13 -0.05 -0.03 1.67 -1.57 0.00 0.00 175.55 175.70 2qx3 s TRP 287 N -3.50 0.35 -0.34 2.71 -2.14 -1.26 -1.46 118.94 113.29 2qx3 s TRP 287 Ca 0.14 -0.06 -0.08 0.00 2.66 0.00 0.00 56.10 58.76 2qx3 s TRP 287 Cb 0.04 -0.27 0.03 0.00 -3.10 0.00 0.00 33.47 30.18 2qx3 s TRP 287 CO -0.02 -0.03 0.13 0.34 -2.66 0.00 0.00 176.95 174.70 2qx3 s ASP 288 N 0.12 5.41 -0.13 -2.66 -1.08 0.01 -0.64 116.67 117.70 2qx3 s ASP 288 Ca -0.01 -1.05 -0.08 0.00 -0.52 0.00 0.00 52.55 50.89 2qx3 s ASP 288 Cb -0.04 -1.91 -0.04 0.00 -1.46 0.00 0.00 42.92 39.47 2qx3 s ASP 288 CO -0.00 -0.33 0.16 -0.76 0.52 0.00 0.00 175.17 174.76 2qx3 s LEU 289 N 1.45 4.35 -0.12 -1.34 1.43 -1.26 -1.10 118.68 122.09 2qx3 s LEU 289 Ca -0.00 0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 53.50 2qx3 s LEU 289 Cb -0.19 -2.11 0.06 0.00 0.03 0.00 0.00 46.19 43.97 2qx3 s LEU 289 CO 0.04 0.35 0.25 -0.63 0.23 0.00 0.00 176.35 176.59 2qx3 s ILE 290 N -0.69 -0.36 -1.50 -0.59 -1.09 -0.45 -4.80 121.20 111.73 2qx3 s ILE 290 Ca 0.14 0.27 -0.12 0.00 -2.23 0.00 0.00 60.65 58.71 2qx3 s ILE 290 Cb -0.12 -0.42 0.08 0.00 -1.58 0.00 0.00 42.46 40.42 2qx3 s ILE 290 CO 0.03 0.11 0.88 0.59 -1.23 0.00 0.00 174.94 175.32 2qx3 n ASN 291 N 5.22 -4.81 -4.74 3.58 3.02 -1.26 -1.01 115.26 115.26 2qx3 n ASN 291 Ca -0.08 -0.67 -0.41 0.00 -0.03 0.00 0.00 54.58 53.39 2qx3 n ASN 291 Cb 0.50 -3.86 -0.05 0.00 -0.61 0.00 0.00 39.78 35.77 2qx3 n ASN 291 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2qx3 s ASN 292 N -3.15 7.43 -0.38 6.41 -0.87 -1.26 -3.06 114.94 120.06 2qx3 s ASN 292 Ca 0.60 1.97 -0.26 0.00 -1.57 0.00 0.00 52.86 53.59 2qx3 s ASN 292 Cb -0.30 -2.60 0.02 0.00 -0.02 0.00 0.00 41.25 38.35 2qx3 s ASN 292 CO 0.73 -0.08 0.95 -0.47 -2.57 0.00 0.00 177.10 175.67 2qx3 s TYR 293 N -0.42 3.06 -0.47 2.20 5.04 0.31 -4.93 117.35 122.14 2qx3 s TYR 293 Ca 0.46 0.78 -0.13 0.00 -2.44 0.00 0.00 57.07 55.73 2qx3 s TYR 293 Cb -0.27 -3.73 0.08 0.00 0.35 0.00 0.00 41.96 38.40 2qx3 s TYR 293 CO 0.33 -0.87 0.37 0.08 -1.34 0.00 0.00 175.55 174.12 2qx3 s VAL 294 N 3.57 4.90 0.00 3.14 1.01 -1.26 -1.05 120.40 130.71 2qx3 s VAL 294 Ca 0.39 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2qx3 s VAL 294 Cb -0.11 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.28 2qx3 s VAL 294 CO 0.20 -0.60 0.00 0.61 0.00 0.00 0.00 175.10 175.31 2qx3 n GLY 295 N 5.11 0.31 3.90 4.51 0.00 0.96 -4.99 105.19 114.99 2qx3 n GLY 295 Ca -0.12 -1.74 -0.28 0.00 0.00 0.00 0.00 46.02 43.89 2qx3 n GLY 295 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qx3 s SER 296 N -1.00 6.05 0.00 1.61 1.04 -1.26 -4.42 113.70 115.72 2qx3 s SER 296 Ca 0.00 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.39 2qx3 s SER 296 Cb 0.00 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.99 2qx3 s SER 296 CO 0.00 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.05 2qx3 n GLY 297 N -2.45 0.46 3.69 7.32 0.00 -1.26 -1.11 105.19 111.83 2qx3 n GLY 297 Ca 0.03 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 2qx3 n GLY 297 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qx3 s ILE 298 N -2.00 4.87 0.17 -0.61 -1.09 -1.26 -1.96 121.20 119.32 2qx3 s ILE 298 Ca 0.00 1.82 0.05 0.00 -2.23 0.00 0.00 60.65 60.29 2qx3 s ILE 298 Cb 0.00 -4.22 -0.05 0.00 -1.58 0.00 0.00 42.46 36.62 2qx3 s ILE 298 CO 0.00 0.08 -0.09 0.42 -1.23 0.00 0.00 174.94 174.11 2qx3 s THR 299 N 1.69 1.23 0.07 2.92 -4.23 -0.84 -4.98 115.64 111.50 2qx3 s THR 299 Ca 0.44 -2.08 0.03 0.00 -1.18 0.00 0.00 61.69 58.90 2qx3 s THR 299 Cb -0.18 -1.95 -0.03 0.00 1.34 0.00 0.00 72.50 71.68 2qx3 s THR 299 CO 0.18 -0.66 -0.09 0.26 -0.54 0.00 0.00 174.62 173.76 2qx3 s TRP 300 N -3.29 0.91 0.20 3.99 0.52 -1.26 -0.49 118.94 119.51 2qx3 s TRP 300 Ca 0.19 -0.60 -0.06 0.00 0.02 0.00 0.00 56.10 55.66 2qx3 s TRP 300 Cb 0.03 -0.52 -0.02 0.00 -1.15 0.00 0.00 33.47 31.80 2qx3 s TRP 300 CO 0.03 -0.04 0.25 0.20 0.02 0.00 0.00 176.95 177.40 2qx3 s GLY 301 N -2.08 0.97 -0.19 0.98 0.00 -1.26 -4.93 107.32 100.80 2qx3 s GLY 301 Ca -0.01 -1.30 -0.07 0.00 0.00 0.00 0.00 44.72 43.34 2qx3 s GLY 301 CO -0.00 -1.08 0.07 -1.59 0.00 0.00 0.00 173.10 170.49 2qx3 s THR 302 N -4.07 4.74 0.42 0.90 2.01 -1.26 -5.00 115.64 113.38 2qx3 s THR 302 Ca 0.29 -0.05 -0.24 0.00 0.31 0.00 0.00 61.69 62.01 2qx3 s THR 302 Cb 0.04 -3.15 -0.08 0.00 0.01 0.00 0.00 72.50 69.32 2qx3 s THR 302 CO 0.08 0.44 1.09 -2.16 -0.69 0.00 0.00 174.62 173.38 2qx3 s PRO 303 N 0.57 4.03 0.67 4.92 0.04 -1.26 -5.02 135.00 138.94 2qx3 s PRO 303 Ca 0.03 1.60 -0.14 0.00 0.04 0.00 0.00 61.00 62.53 2qx3 s PRO 303 Cb -0.13 -2.49 0.01 0.00 0.04 0.00 0.00 34.50 31.92 2qx3 s PRO 303 CO 0.01 -0.28 1.10 -0.51 0.04 0.00 0.00 177.00 177.36 2qx3 s ASP 304 N -1.49 5.10 0.00 6.66 1.01 -1.26 -4.94 116.67 121.74 2qx3 s ASP 304 Ca 0.60 1.93 0.00 0.00 0.71 0.00 0.00 52.55 55.79 2qx3 s ASP 304 Cb -0.24 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.15 2qx3 s ASP 304 CO 0.30 -1.64 0.00 0.61 0.21 0.00 0.00 175.17 174.65 2qx3 n GLY 305 N -0.76 -0.88 0.54 0.21 0.00 -1.26 -4.78 105.19 98.26 2qx3 n GLY 305 Ca 0.10 -2.22 0.05 0.00 0.00 0.00 0.00 46.02 43.95 2qx3 n GLY 305 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qx3 n SER 306 N 0.00 2.78 -4.82 1.61 3.41 -1.26 -5.01 113.62 110.33 2qx3 n SER 306 Ca 0.00 -1.99 -0.33 0.00 -0.26 0.00 0.00 58.87 56.28 2qx3 n SER 306 Cb 0.00 -0.20 -0.07 0.00 -0.26 0.00 0.00 64.21 63.69 2qx3 n SER 306 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2qx3 s LYS 307 N -1.00 4.25 0.76 4.33 1.02 -1.26 -5.05 119.74 122.79 2qx3 s LYS 307 Ca 0.20 1.11 -0.11 0.00 0.02 0.00 0.00 55.97 57.19 2qx3 s LYS 307 Cb 0.10 -2.27 0.05 0.00 -0.52 0.00 0.00 37.83 35.19 2qx3 s LYS 307 CO 0.13 0.02 1.09 -2.14 -0.92 0.00 0.00 175.35 173.53 2qx3 s PRO 308 N -3.03 2.34 0.30 -1.68 0.02 -1.26 -4.97 135.00 126.73 2qx3 s PRO 308 Ca 0.60 1.15 -0.02 0.00 0.02 0.00 0.00 61.00 62.75 2qx3 s PRO 308 Cb -0.10 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 2qx3 s PRO 308 CO 0.15 -1.58 0.38 1.52 -0.33 0.00 0.00 177.00 177.14 2qx3 s TYR 309 N -2.90 1.12 -0.08 6.54 1.13 -1.26 -4.50 117.35 117.39 2qx3 s TYR 309 Ca 0.61 -1.30 -0.08 0.00 -1.41 0.00 0.00 57.07 54.89 2qx3 s TYR 309 Cb -0.17 -0.24 0.02 0.00 -1.10 0.00 0.00 41.96 40.47 2qx3 s TYR 309 CO 0.56 -0.99 0.22 0.00 -2.51 0.00 0.00 175.55 172.82 2qx3 s ALA 310 N -3.44 -0.54 -0.09 9.51 0.00 -0.04 -4.97 121.76 122.20 2qx3 s ALA 310 Ca 0.33 0.59 0.02 0.00 0.00 0.00 0.00 51.96 52.89 2qx3 s ALA 310 Cb 0.01 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.81 2qx3 s ALA 310 CO 0.19 -0.11 -0.13 -0.80 0.00 0.00 0.00 175.76 174.91 2qx3 s ASN 311 N 0.05 2.19 -1.08 0.00 0.01 -1.26 -0.85 114.94 114.01 2qx3 s ASN 311 Ca -0.01 -0.37 -0.08 0.00 -0.71 0.00 0.00 52.86 51.69 2qx3 s ASN 311 Cb -0.02 -0.97 -0.13 0.00 0.41 0.00 0.00 41.25 40.55 2qx3 s ASN 311 CO 0.00 0.00 2.95 0.00 -1.51 0.00 0.00 177.10 178.54 2qx3 n ALA 312 N 4.18 6.70 0.19 0.60 0.00 -0.58 -4.64 120.51 126.94 2qx3 n ALA 312 Ca -0.19 -2.79 0.04 0.00 0.00 0.00 0.00 53.44 50.50 2qx3 n ALA 312 Cb 0.51 -3.03 0.43 0.00 0.00 0.00 0.00 19.45 17.36 2qx3 n ALA 312 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2qx3 h THR 313 N 2.81 1.18 -0.26 0.00 1.35 -1.96 -2.02 112.91 114.01 2qx3 h THR 313 Ca 0.63 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 2qx3 h THR 313 Cb 0.57 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 2qx3 h THR 313 CO 1.32 0.25 0.00 0.59 -0.25 0.00 0.00 175.52 177.42 2qx3 n ASN 314 N -4.25 3.09 -3.05 5.36 4.13 -1.26 -4.99 115.26 114.29 2qx3 n ASN 314 Ca -0.02 -1.91 -0.21 0.00 1.68 0.00 0.00 54.58 54.12 2qx3 n ASN 314 Cb 0.30 -0.16 0.05 0.00 -1.54 0.00 0.00 39.78 38.42 2qx3 n ASN 314 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 2qx3 n TRP 315 N 1.23 -2.21 -3.90 3.10 7.02 -0.76 -5.00 117.44 116.93 2qx3 n TRP 315 Ca 0.16 0.69 -0.36 0.00 -1.02 0.00 0.00 57.50 56.97 2qx3 n TRP 315 Cb 0.53 -4.47 -0.07 0.00 -2.42 0.00 0.00 31.31 24.88 2qx3 n TRP 315 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 2qx3 s ILE 316 N -3.21 5.27 0.45 -0.99 1.01 -1.26 -4.90 121.20 117.57 2qx3 s ILE 316 Ca 0.40 0.13 -0.25 0.00 0.00 0.00 0.00 60.65 60.93 2qx3 s ILE 316 Cb -0.18 -3.33 -0.08 0.00 0.01 0.00 0.00 42.46 38.88 2qx3 s ILE 316 CO 0.49 0.54 1.36 -0.44 0.00 0.00 0.00 174.94 176.90 2qx3 s SER 317 N -0.39 5.94 -0.01 3.58 0.01 -1.26 -4.88 113.70 116.69 2qx3 s SER 317 Ca 0.11 2.78 0.12 0.00 1.31 0.00 0.00 55.95 60.27 2qx3 s SER 317 Cb -0.12 -2.64 -0.17 0.00 0.21 0.00 0.00 66.02 63.30 2qx3 s SER 317 CO 0.01 -1.12 0.32 0.35 0.41 0.00 0.00 173.24 173.22 2qx3 n THR 318 N -0.22 0.00 -3.66 1.44 -2.24 0.19 -4.99 114.28 104.80 2qx3 n THR 318 Ca 0.05 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.47 2qx3 n THR 318 Cb 0.43 0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 69.02 2qx3 n THR 318 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2qx3 s LYS 319 N -2.62 0.66 0.25 -0.78 2.20 -1.01 -4.86 119.74 113.59 2qx3 s LYS 319 Ca -0.02 0.99 -0.30 0.00 -0.36 0.00 0.00 55.97 56.28 2qx3 s LYS 319 Cb 0.08 0.21 -0.09 0.00 -1.51 0.00 0.00 37.83 36.51 2qx3 s LYS 319 CO 0.49 -0.12 1.23 0.08 -0.36 0.00 0.00 175.35 176.67 2qx3 s VAL 320 N 1.01 3.22 -0.08 4.02 1.01 -1.26 -2.68 120.40 125.63 2qx3 s VAL 320 Ca -0.05 1.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.75 2qx3 s VAL 320 Cb -0.05 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 2qx3 s VAL 320 CO -0.09 0.22 2.04 0.12 0.00 0.00 0.00 175.10 177.38 2qx3 s PHE 321 N -0.57 1.30 -0.81 5.22 5.36 -1.26 -4.87 117.98 122.36 2qx3 s PHE 321 Ca 0.51 0.00 0.25 0.00 -0.96 0.00 0.00 56.93 56.73 2qx3 s PHE 321 Cb -0.35 -4.10 0.95 0.00 -0.34 0.00 0.00 43.02 39.17 2qx3 s PHE 321 CO 0.42 -4.80 1.77 -0.35 -1.46 0.00 0.00 175.22 170.81 2qx3 n PRO 322 N 8.02 0.13 -4.15 10.12 -0.04 -1.26 -4.87 135.00 142.95 2qx3 n PRO 322 Ca 0.24 0.19 -0.11 0.00 -0.04 0.00 0.00 63.50 63.77 2qx3 n PRO 322 Cb 0.43 -1.68 -0.09 0.00 -0.04 0.00 0.00 33.50 32.12 2qx3 n PRO 322 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2qx3 s GLU 323 N -3.09 1.24 0.17 0.54 -1.05 -1.26 -5.12 118.70 110.12 2qx3 s GLU 323 Ca 0.10 -1.53 -0.31 0.00 -0.15 0.00 0.00 54.97 53.08 2qx3 s GLU 323 Cb 0.14 0.31 -0.10 0.00 -0.44 0.00 0.00 34.13 34.04 2qx3 s GLU 323 CO 0.50 -0.43 1.51 0.45 0.95 0.00 0.00 175.26 178.25 2qx3 s SER 324 N -3.12 6.64 0.50 0.83 0.15 -1.26 -4.89 113.70 112.55 2qx3 s SER 324 Ca 0.34 2.56 0.17 0.00 0.70 0.00 0.00 55.95 59.72 2qx3 s SER 324 Cb 0.06 -2.60 1.23 0.00 -1.71 0.00 0.00 66.02 63.00 2qx3 s SER 324 CO 0.10 -0.77 2.10 -0.07 1.20 0.00 0.00 173.24 175.80 2qx3 h LEU 325 N 6.54 0.00 0.00 3.45 3.38 -2.00 -3.46 115.31 123.22 2qx3 h LEU 325 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2qx3 h LEU 325 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2qx3 h LEU 325 CO 0.88 0.07 0.00 0.61 0.09 0.00 0.00 178.44 180.10 2qx3 n GLY 326 N -1.29 0.48 3.27 0.83 0.00 -1.26 -4.91 105.19 102.30 2qx3 n GLY 326 Ca -0.03 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 2qx3 n GLY 326 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2qx3 s TYR 327 N -2.00 0.50 -0.03 1.61 1.13 -1.26 -5.10 117.35 112.21 2qx3 s TYR 327 Ca 0.00 -0.88 -0.00 0.00 -1.41 0.00 0.00 57.07 54.78 2qx3 s TYR 327 Cb 0.00 -0.18 -0.04 0.00 -1.10 0.00 0.00 41.96 40.64 2qx3 s TYR 327 CO 0.00 -0.64 0.03 0.42 -2.51 0.00 0.00 175.55 172.85 2qx3 s ILE 328 N -3.98 4.42 -0.02 -3.49 -1.09 -1.26 -5.06 121.20 110.73 2qx3 s ILE 328 Ca 0.18 -0.43 -0.07 0.00 -2.23 0.00 0.00 60.65 58.09 2qx3 s ILE 328 Cb 0.05 -2.96 0.01 0.00 -1.58 0.00 0.00 42.46 37.97 2qx3 s ILE 328 CO -0.01 0.43 0.15 -0.72 -1.23 0.00 0.00 174.94 173.56 2qx3 s TYR 329 N -1.07 -0.03 -0.40 3.97 1.13 -1.26 -4.66 117.35 115.03 2qx3 s TYR 329 Ca 0.19 0.04 -0.14 0.00 -1.41 0.00 0.00 57.07 55.74 2qx3 s TYR 329 Cb -0.12 -0.01 0.02 0.00 -1.10 0.00 0.00 41.96 40.75 2qx3 s TYR 329 CO 0.09 -0.24 0.28 0.95 -2.51 0.00 0.00 175.55 174.13 2qx3 s THR 330 N -0.99 5.15 -0.24 -3.49 -4.23 -1.26 -5.06 115.64 105.52 2qx3 s THR 330 Ca -0.11 -0.69 -0.24 0.00 -1.18 0.00 0.00 61.69 59.48 2qx3 s THR 330 Cb -0.06 -3.87 -0.01 0.00 1.34 0.00 0.00 72.50 69.91 2qx3 s THR 330 CO 0.01 -0.29 0.78 -0.69 -0.54 0.00 0.00 174.62 173.89 2qx3 s VAL 331 N 1.66 4.88 0.13 2.29 1.01 -1.26 -5.03 120.40 124.08 2qx3 s VAL 331 Ca 0.05 1.46 -0.31 0.00 0.00 0.00 0.00 61.98 63.18 2qx3 s VAL 331 Cb -0.19 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.03 2qx3 s VAL 331 CO 0.09 -0.03 1.42 -0.89 0.00 0.00 0.00 175.10 175.69 2qx3 s THR 332 N 2.66 3.16 -0.12 3.92 2.01 -1.26 -4.94 115.64 121.08 2qx3 s THR 332 Ca 0.33 0.84 -0.40 0.00 0.31 0.00 0.00 61.69 62.77 2qx3 s THR 332 Cb -0.15 -3.54 -0.17 0.00 0.01 0.00 0.00 72.50 68.65 2qx3 s THR 332 CO 0.08 0.07 1.47 -2.65 -0.69 0.00 0.00 174.62 172.90 2qx3 n PRO 333 N 3.86 0.85 -0.31 4.92 -0.02 -1.26 -4.82 135.00 138.22 2qx3 n PRO 333 Ca 0.12 0.31 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 2qx3 n PRO 333 Cb 0.42 -1.93 0.29 0.00 -0.02 0.00 0.00 33.50 32.26 2qx3 n PRO 333 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qx3 h ALA 334 N 5.30 1.44 0.00 3.55 0.00 -1.83 0.14 119.26 127.86 2qx3 h ALA 334 Ca -0.47 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2qx3 h ALA 334 Cb 1.35 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 2qx3 h ALA 334 CO 0.85 -0.25 -0.07 0.00 0.00 0.00 0.00 179.25 179.77 2qx3 h ALA 335 N 1.67 1.26 -0.16 0.00 0.00 -1.90 -2.17 119.26 117.95 2qx3 h ALA 335 Ca 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2qx3 h ALA 335 Cb 0.96 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2qx3 h ALA 335 CO -0.47 0.09 0.00 1.04 0.00 0.00 0.00 179.25 179.91 2qx3 n GLN 336 N -3.55 2.15 -0.12 0.00 6.02 0.47 -4.48 117.38 117.87 2qx3 n GLN 336 Ca -0.02 -1.71 -0.10 0.00 -0.01 0.00 0.00 57.00 55.16 2qx3 n GLN 336 Cb 0.19 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 29.97 2qx3 n GLN 336 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2qx3 h VAL 337 N 3.75 1.23 -0.14 5.09 2.07 -1.21 -0.80 116.25 126.25 2qx3 h VAL 337 Ca 0.00 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.76 2qx3 h VAL 337 Cb 0.81 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.57 2qx3 h VAL 337 CO 0.00 0.27 -0.44 0.50 0.02 0.00 0.00 177.57 177.92 2qx3 h LYS 338 N 0.44 -0.48 -0.08 1.57 3.64 -1.78 0.12 116.57 119.99 2qx3 h LYS 338 Ca 0.11 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2qx3 h LYS 338 Cb 0.33 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2qx3 h LYS 338 CO 0.00 -0.32 0.05 0.00 -2.27 0.00 0.00 179.45 176.91 2qx3 h ALA 339 N 0.07 0.11 -0.11 5.00 0.00 -1.84 -1.64 119.26 120.85 2qx3 h ALA 339 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2qx3 h ALA 339 Cb 0.64 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2qx3 h ALA 339 CO -0.41 -0.36 0.07 -0.22 0.00 0.00 0.00 179.25 178.33 2qx3 h LYS 340 N 0.06 0.14 -0.24 0.00 1.63 -0.91 -1.31 116.57 115.93 2qx3 h LYS 340 Ca 0.03 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.79 2qx3 h LYS 340 Cb 0.06 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 2qx3 h LYS 340 CO -0.01 0.10 0.04 0.28 -3.45 0.00 0.00 179.45 176.41 2qx3 h VAL 341 N 0.15 1.23 -1.00 2.00 2.07 -0.76 -1.16 116.25 118.77 2qx3 h VAL 341 Ca 0.04 -0.76 0.15 0.00 0.82 0.00 0.00 66.70 66.95 2qx3 h VAL 341 Cb -0.01 1.26 -0.09 0.00 -1.52 0.00 0.00 31.29 30.92 2qx3 h VAL 341 CO -0.01 0.24 0.62 0.40 0.02 0.00 0.00 177.57 178.84 2qx3 h ILE 342 N 0.21 0.83 -0.11 4.57 2.04 -1.21 0.77 117.51 124.61 2qx3 h ILE 342 Ca 0.07 -0.31 -0.14 0.00 1.00 0.00 0.00 64.86 65.48 2qx3 h ILE 342 Cb 0.32 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 2qx3 h ILE 342 CO 0.00 0.16 -0.56 0.00 0.00 0.00 0.00 178.15 177.76 2qx3 h ALA 343 N 1.58 0.85 0.00 1.87 0.00 -0.77 -3.39 119.26 119.40 2qx3 h ALA 343 Ca 0.53 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2qx3 h ALA 343 Cb 0.65 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2qx3 h ALA 343 CO -0.31 0.70 -1.20 0.25 0.00 0.00 0.00 179.25 178.68 2qx3 n THR 344 N -3.92 0.01 -2.91 0.00 -2.24 -0.48 -5.00 114.28 99.75 2qx3 n THR 344 Ca -0.02 -0.10 -0.39 0.00 -2.27 0.00 0.00 64.05 61.26 2qx3 n THR 344 Cb 0.59 0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 69.09 2qx3 n THR 344 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qx3 s ALA 345 N -2.28 3.39 0.00 6.98 0.00 0.20 -4.52 121.76 125.53 2qx3 s ALA 345 Ca -0.02 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.38 2qx3 s ALA 345 Cb 0.03 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.11 2qx3 s ALA 345 CO 0.17 0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.61 2qx3 n GLY 346 N 1.40 2.05 3.78 0.00 0.00 0.13 -4.72 105.19 107.83 2qx3 n GLY 346 Ca -0.04 -2.04 -0.31 0.00 0.00 0.00 0.00 46.02 43.63 2qx3 n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qx3 s ALA 347 N -2.19 2.37 -0.45 4.61 0.00 -1.00 -4.07 121.76 121.03 2qx3 s ALA 347 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2qx3 s ALA 347 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2qx3 s ALA 347 CO 0.00 -1.62 0.00 0.41 0.00 0.00 0.00 175.76 174.55 2qx3 n GLY 348 N -1.41 0.70 0.87 0.00 0.00 -1.26 -4.90 105.19 99.19 2qx3 n GLY 348 Ca 0.09 -0.53 0.07 0.00 0.00 0.00 0.00 46.02 45.65 2qx3 n GLY 348 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qx3 n LYS 349 N -2.50 2.98 -2.82 1.61 4.76 -1.26 -4.96 118.16 115.97 2qx3 n LYS 349 Ca -0.04 -2.36 -0.20 0.00 -2.87 0.00 0.00 58.31 52.84 2qx3 n LYS 349 Cb 0.19 -1.48 0.01 0.00 -1.84 0.00 0.00 35.03 31.90 2qx3 n LYS 349 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2qx3 n ASN 350 N 0.50 -5.10 -2.38 4.39 3.02 -1.26 -2.34 115.26 112.09 2qx3 n ASN 350 Ca 0.16 -0.14 -0.19 0.00 -0.03 0.00 0.00 54.58 54.39 2qx3 n ASN 350 Cb 0.59 -4.21 -0.01 0.00 -0.61 0.00 0.00 39.78 35.54 2qx3 n ASN 350 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2qx3 n LEU 351 N -3.47 -1.72 -4.77 3.41 4.77 -1.26 -4.94 117.00 109.02 2qx3 n LEU 351 Ca -0.13 0.06 -0.40 0.00 -0.03 0.00 0.00 56.01 55.51 2qx3 n LEU 351 Cb 0.62 -2.73 -0.01 0.00 -2.33 0.00 0.00 43.42 38.97 2qx3 n LEU 351 CO 0.37 -0.23 0.99 0.00 -1.33 0.00 0.00 177.39 177.19 2qx3 s ALA 352 N -2.92 3.32 -0.38 -1.18 0.00 -0.99 -5.12 121.76 114.50 2qx3 s ALA 352 Ca 0.00 1.28 0.03 0.00 0.00 0.00 0.00 51.96 53.27 2qx3 s ALA 352 Cb 0.00 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.64 2qx3 s ALA 352 CO 0.00 -0.84 0.60 0.39 0.00 0.00 0.00 175.76 175.90