#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q3r s VAL 10 N 0.00 3.07 0.03 2.46 1.01 -1.26 -4.85 120.40 120.86 2q3r s VAL 10 Ca 0.00 1.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.96 2q3r s VAL 10 Cb 0.00 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 2q3r s VAL 10 CO 0.00 0.21 0.90 -2.65 0.00 0.00 0.00 175.10 173.57 2q3r n PRO 11 N 0.75 -0.08 0.26 2.72 -0.02 -1.26 -0.29 135.00 137.07 2q3r n PRO 11 Ca 0.01 0.90 0.15 0.00 -2.02 0.00 0.00 63.50 62.53 2q3r n PRO 11 Cb 0.44 -1.34 0.81 0.00 -0.02 0.00 0.00 33.50 33.39 2q3r n PRO 11 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2q3r h LEU 12 N 0.00 0.00 -3.45 2.45 3.38 -1.83 -0.79 115.31 115.07 2q3r h LEU 12 Ca 0.03 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.80 2q3r h LEU 12 Cb 0.08 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.71 2q3r h LEU 12 CO -0.18 0.00 0.06 0.18 0.09 0.00 0.00 178.44 178.59 2q3r n LEU 13 N -2.63 4.56 -4.84 1.67 7.99 0.60 -1.14 117.00 123.20 2q3r n LEU 13 Ca -0.02 -3.58 -0.31 0.00 -0.01 0.00 0.00 56.01 52.08 2q3r n LEU 13 Cb 0.17 -0.65 -0.05 0.00 -0.11 0.00 0.00 43.42 42.77 2q3r n LEU 13 CO 0.13 1.10 -0.21 0.42 -1.51 0.00 0.00 177.39 177.32 2q3r s THR 14 N -3.17 4.97 0.90 -5.08 -4.23 -0.30 -4.17 115.64 104.56 2q3r s THR 14 Ca 0.46 -0.50 -0.11 0.00 -1.18 0.00 0.00 61.69 60.36 2q3r s THR 14 Cb 0.41 -3.38 0.11 0.00 1.34 0.00 0.00 72.50 70.98 2q3r s THR 14 CO 0.04 0.19 1.02 -2.65 -0.54 0.00 0.00 174.62 172.68 2q3r n PRO 15 N 0.58 -0.28 -3.65 3.99 -0.02 -0.88 -3.96 135.00 130.79 2q3r n PRO 15 Ca -0.08 -0.01 -0.07 0.00 -2.02 0.00 0.00 63.50 61.31 2q3r n PRO 15 Cb 0.52 -2.29 -0.07 0.00 -0.02 0.00 0.00 33.50 31.64 2q3r n PRO 15 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2q3r s TYR 16 N -2.47 -1.03 -0.52 6.00 5.04 0.52 -4.90 117.35 119.99 2q3r s TYR 16 Ca 0.67 2.04 -0.18 0.00 -2.44 0.00 0.00 57.07 57.15 2q3r s TYR 16 Cb -0.24 0.60 0.07 0.00 0.35 0.00 0.00 41.96 42.74 2q3r s TYR 16 CO 0.58 -0.52 0.60 0.21 -1.34 0.00 0.00 175.55 175.09 2q3r s LYS 17 N 1.75 3.09 -0.64 4.97 2.20 -1.26 -0.81 119.74 129.03 2q3r s LYS 17 Ca -0.09 -1.05 -0.24 0.00 -0.36 0.00 0.00 55.97 54.22 2q3r s LYS 17 Cb -0.06 -4.14 0.05 0.00 -1.51 0.00 0.00 37.83 32.17 2q3r s LYS 17 CO -0.19 -1.25 1.04 1.41 -0.36 0.00 0.00 175.35 176.00 2q3r s MET 18 N 2.48 3.21 4.39 4.03 -2.45 -0.54 -4.87 119.30 125.54 2q3r s MET 18 Ca 0.13 -0.48 0.00 0.00 -1.25 0.00 0.00 55.69 54.08 2q3r s MET 18 Cb -0.21 -4.16 0.00 0.00 1.25 0.00 0.00 34.83 31.71 2q3r s MET 18 CO 0.10 -1.80 0.00 0.41 1.05 0.00 0.00 175.02 174.78 2q3r n GLY 19 N 5.27 3.29 0.22 2.11 0.00 -1.26 0.94 105.19 115.76 2q3r n GLY 19 Ca -0.00 0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.31 2q3r n GLY 19 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2q3r h ARG 20 N 0.00 0.00 -7.29 1.61 9.65 -1.89 -3.45 114.38 113.02 2q3r h ARG 20 Ca 0.00 0.00 -0.49 0.00 -1.10 0.00 0.00 59.98 58.39 2q3r h ARG 20 Cb 0.00 0.00 0.05 0.00 -1.39 0.00 0.00 29.97 28.63 2q3r h ARG 20 CO 0.00 0.00 0.40 -0.06 2.80 0.00 0.00 179.97 183.11 2q3r s PHE 21 N -3.38 3.47 -0.56 2.20 0.40 0.27 -5.01 117.98 115.38 2q3r s PHE 21 Ca 0.05 1.38 0.06 0.00 -0.60 0.00 0.00 56.93 57.82 2q3r s PHE 21 Cb 0.08 -2.78 0.32 0.00 0.51 0.00 0.00 43.02 41.14 2q3r s PHE 21 CO 0.59 -0.65 0.85 0.27 0.70 0.00 0.00 175.22 176.98 2q3r n ASN 22 N -2.31 3.67 -4.57 1.36 6.94 -1.26 -1.47 115.26 117.62 2q3r n ASN 22 Ca 0.07 -3.50 -0.43 0.00 -0.02 0.00 0.00 54.58 50.70 2q3r n ASN 22 Cb 0.54 -0.60 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 2q3r n ASN 22 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2q3r n LEU 23 N 0.15 1.73 -0.01 -4.53 4.77 0.01 -4.83 117.00 114.30 2q3r n LEU 23 Ca 0.30 1.06 -0.17 0.00 -0.03 0.00 0.00 56.01 57.17 2q3r n LEU 23 Cb 0.43 -1.27 -0.13 0.00 -2.33 0.00 0.00 43.42 40.12 2q3r n LEU 23 CO 0.33 -1.77 0.27 -1.28 -1.33 0.00 0.00 177.39 173.60 2q3r h SER 24 N 1.52 0.27 -5.56 -1.43 0.87 -1.46 0.15 113.55 107.90 2q3r h SER 24 Ca -0.42 -0.89 -0.26 0.00 -1.23 0.00 0.00 61.79 58.99 2q3r h SER 24 Cb 1.35 -0.09 -0.12 0.00 -0.44 0.00 0.00 62.40 63.11 2q3r h SER 24 CO 0.57 1.14 -0.39 -1.38 -0.53 0.00 0.00 176.83 176.24 2q3r s HIS 25 N -2.67 1.09 -0.60 2.24 0.00 -1.26 -2.07 115.29 112.03 2q3r s HIS 25 Ca -0.16 -1.28 0.16 0.00 -3.00 0.00 0.00 55.06 50.78 2q3r s HIS 25 Cb 0.00 -0.32 0.61 0.00 -4.00 0.00 0.00 32.58 28.86 2q3r s HIS 25 CO 0.76 -0.88 1.52 0.54 -1.00 0.00 0.00 174.74 175.69 2q3r n ARG 26 N -0.43 3.54 -3.04 -0.38 3.00 -0.29 -4.76 116.66 114.29 2q3r n ARG 26 Ca 0.02 -2.79 -0.45 0.00 -0.01 0.00 0.00 57.85 54.62 2q3r n ARG 26 Cb 0.63 -1.85 -0.03 0.00 0.00 0.00 0.00 32.46 31.22 2q3r n ARG 26 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2q3r s VAL 27 N -2.22 4.91 0.25 1.55 1.01 -1.24 -1.72 120.40 122.93 2q3r s VAL 27 Ca 0.44 -1.59 -0.11 0.00 0.00 0.00 0.00 61.98 60.72 2q3r s VAL 27 Cb 0.32 -4.66 -0.08 0.00 0.00 0.00 0.00 36.38 31.96 2q3r s VAL 27 CO 0.16 -1.34 0.60 -0.69 0.00 0.00 0.00 175.10 173.83 2q3r s VAL 28 N 2.22 4.87 -0.43 2.92 1.01 -1.06 -4.59 120.40 125.34 2q3r s VAL 28 Ca 0.25 0.60 -0.26 0.00 0.00 0.00 0.00 61.98 62.57 2q3r s VAL 28 Cb -0.10 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.69 2q3r s VAL 28 CO -0.05 -0.09 0.98 -0.22 0.00 0.00 0.00 175.10 175.71 2q3r s LEU 29 N -2.83 3.92 1.04 3.92 2.96 0.46 -2.31 118.68 125.84 2q3r s LEU 29 Ca 0.49 0.37 -0.12 0.00 -0.22 0.00 0.00 54.13 54.65 2q3r s LEU 29 Cb -0.11 -3.30 0.21 0.00 0.50 0.00 0.00 46.19 43.49 2q3r s LEU 29 CO 0.20 -1.03 1.07 0.00 -1.32 0.00 0.00 176.35 175.28 2q3r s ALA 30 N 3.81 0.49 -0.01 5.97 0.00 -1.08 -0.76 121.76 130.18 2q3r s ALA 30 Ca 0.40 0.03 -0.28 0.00 0.00 0.00 0.00 51.96 52.11 2q3r s ALA 30 Cb -0.10 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 2q3r s ALA 30 CO 0.25 -3.22 0.91 -1.25 0.00 0.00 0.00 175.76 172.45 2q3r s PRO 31 N -4.64 4.54 -0.24 0.00 0.04 -1.26 -4.50 135.00 128.94 2q3r s PRO 31 Ca 0.67 1.30 -0.03 0.00 0.04 0.00 0.00 61.00 62.98 2q3r s PRO 31 Cb -0.23 -3.45 0.08 0.00 0.04 0.00 0.00 34.50 30.94 2q3r s PRO 31 CO 0.61 -0.01 0.07 -0.51 0.04 0.00 0.00 177.00 177.20 2q3r s LEU 32 N 0.90 1.23 0.01 -3.56 1.43 -1.26 -4.88 118.68 112.56 2q3r s LEU 32 Ca 0.48 -1.08 -0.30 0.00 -1.03 0.00 0.00 54.13 52.21 2q3r s LEU 32 Cb -0.20 -0.58 -0.08 0.00 0.03 0.00 0.00 46.19 45.36 2q3r s LEU 32 CO 0.26 -0.36 1.86 -0.89 0.23 0.00 0.00 176.35 177.45 2q3r s THR 33 N 1.87 3.20 -0.05 5.49 2.01 -1.26 -4.24 115.64 122.66 2q3r s THR 33 Ca 0.04 0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.30 2q3r s THR 33 Cb -0.17 -3.16 -0.01 0.00 0.01 0.00 0.00 72.50 69.17 2q3r s THR 33 CO -0.17 -0.02 0.11 0.54 -0.69 0.00 0.00 174.62 174.39 2q3r n ARG 34 N 7.36 5.58 -3.58 4.92 5.12 -1.26 -4.80 116.66 129.99 2q3r n ARG 34 Ca 0.19 -0.08 -0.27 0.00 -1.93 0.00 0.00 57.85 55.76 2q3r n ARG 34 Cb 0.42 -0.61 0.05 0.00 -1.16 0.00 0.00 32.46 31.15 2q3r n ARG 34 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2q3r n GLN 35 N -0.86 -1.81 -0.63 5.56 6.02 -1.25 -4.52 117.38 119.88 2q3r n GLN 35 Ca 0.00 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.57 2q3r n GLN 35 Cb 0.01 -4.64 0.00 0.00 1.02 0.00 0.00 30.24 26.64 2q3r n GLN 35 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2q3r n ARG 36 N -3.96 0.00 -3.24 -1.09 1.74 -0.73 -4.41 116.66 104.97 2q3r n ARG 36 Ca -0.11 -1.02 -0.40 0.00 -0.77 0.00 0.00 57.85 55.56 2q3r n ARG 36 Cb 0.61 -0.37 -0.02 0.00 -1.02 0.00 0.00 32.46 31.66 2q3r n ARG 36 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2q3r n SER 37 N 0.06 5.48 -4.62 0.55 7.64 -0.66 -4.67 113.62 117.40 2q3r n SER 37 Ca 0.00 -3.30 -0.56 0.00 1.01 0.00 0.00 58.87 56.02 2q3r n SER 37 Cb 0.73 -1.16 -0.07 0.00 -1.01 0.00 0.00 64.21 62.70 2q3r n SER 37 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2q3r n TYR 38 N 1.67 1.52 -1.06 1.43 0.53 -1.24 -0.30 117.16 119.71 2q3r n TYR 38 Ca 0.26 0.72 -0.02 0.00 -1.02 0.00 0.00 57.90 57.83 2q3r n TYR 38 Cb 0.36 -2.32 -0.01 0.00 -1.03 0.00 0.00 39.34 36.35 2q3r n TYR 38 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2q3r n GLY 39 N 2.88 0.49 2.53 2.72 0.00 -1.26 -2.21 105.19 110.35 2q3r n GLY 39 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2q3r n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2q3r n ASN 40 N -0.02 -1.85 -4.71 1.61 5.03 0.58 -5.02 115.26 110.89 2q3r n ASN 40 Ca -0.02 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.06 2q3r n ASN 40 Cb 0.19 -0.55 -0.07 0.00 -1.02 0.00 0.00 39.78 38.33 2q3r n ASN 40 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2q3r s VAL 41 N -2.70 5.27 0.50 2.41 1.01 -0.94 -1.48 120.40 124.46 2q3r s VAL 41 Ca 0.00 0.62 -0.22 0.00 0.00 0.00 0.00 61.98 62.38 2q3r s VAL 41 Cb 0.00 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.63 2q3r s VAL 41 CO 0.00 0.34 1.12 -2.65 0.00 0.00 0.00 175.10 173.91 2q3r n PRO 42 N 3.88 1.43 -4.42 2.72 -0.02 -1.26 -3.73 135.00 133.60 2q3r n PRO 42 Ca -0.10 0.52 -0.24 0.00 -2.02 0.00 0.00 63.50 61.66 2q3r n PRO 42 Cb 0.52 -2.26 -0.09 0.00 -0.02 0.00 0.00 33.50 31.64 2q3r n PRO 42 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2q3r s GLN 43 N -2.43 1.86 0.22 -0.52 -1.52 -1.26 -4.87 119.66 111.14 2q3r s GLN 43 Ca 0.68 -1.66 -0.07 0.00 -1.95 0.00 0.00 55.36 52.36 2q3r s GLN 43 Cb -0.48 -1.89 0.33 0.00 -0.22 0.00 0.00 33.01 30.75 2q3r s GLN 43 CO 0.53 0.34 1.79 -1.35 -0.25 0.00 0.00 175.29 176.35 2q3r h PRO 44 N 2.19 0.61 -0.30 2.91 0.11 -1.94 -1.79 132.00 133.78 2q3r h PRO 44 Ca -0.41 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.73 2q3r h PRO 44 Cb 1.26 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2q3r h PRO 44 CO 0.60 0.41 0.21 1.12 -0.21 0.00 0.00 178.00 180.13 2q3r h HIS 45 N 0.63 0.08 -0.68 0.65 2.07 -1.96 0.16 115.15 116.11 2q3r h HIS 45 Ca 0.35 0.00 0.12 0.00 -2.85 0.00 0.00 60.37 57.99 2q3r h HIS 45 Cb 0.34 -0.02 -0.04 0.00 2.57 0.00 0.00 27.41 30.25 2q3r h HIS 45 CO -0.10 0.04 0.45 0.00 -3.07 0.00 0.00 177.93 175.26 2q3r h ALA 46 N 1.85 2.03 -0.03 6.11 0.00 -1.67 0.60 119.26 128.14 2q3r h ALA 46 Ca 0.14 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2q3r h ALA 46 Cb 0.47 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2q3r h ALA 46 CO -0.01 -0.20 -0.36 0.00 0.00 0.00 0.00 179.25 178.68 2q3r h ALA 47 N 1.67 1.35 -0.01 0.00 0.00 -1.06 -0.62 119.26 120.59 2q3r h ALA 47 Ca 0.32 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 2q3r h ALA 47 Cb 0.66 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2q3r h ALA 47 CO -0.10 0.48 -0.75 0.82 0.00 0.00 0.00 179.25 179.70 2q3r h ILE 48 N 0.05 1.50 0.35 0.00 1.08 0.05 -2.95 117.51 117.59 2q3r h ILE 48 Ca 0.00 -2.45 -0.02 0.00 -0.39 0.00 0.00 64.86 62.01 2q3r h ILE 48 Cb 0.66 2.32 0.00 0.00 -3.07 0.00 0.00 36.82 36.74 2q3r h ILE 48 CO 0.05 0.71 -0.17 0.22 -0.69 0.00 0.00 178.15 178.27 2q3r h TYR 49 N 0.05 -0.43 -0.01 1.37 3.20 0.54 -3.06 116.97 118.64 2q3r h TYR 49 Ca -0.02 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.71 2q3r h TYR 49 Cb 1.32 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.71 2q3r h TYR 49 CO 0.01 -0.11 -0.64 1.88 -1.64 0.00 0.00 178.16 177.65 2q3r h TYR 50 N -0.98 0.05 -0.72 -3.82 0.05 -1.31 -3.09 116.97 107.14 2q3r h TYR 50 Ca -0.05 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.69 2q3r h TYR 50 Cb 0.51 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.21 2q3r h TYR 50 CO 0.03 0.67 0.34 1.03 -1.05 0.00 0.00 178.16 179.18 2q3r h SER 51 N 0.02 0.94 -0.16 3.88 0.87 -1.64 -1.81 113.55 115.66 2q3r h SER 51 Ca -0.01 -0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.40 2q3r h SER 51 Cb 1.14 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.84 2q3r h SER 51 CO 0.09 0.80 -0.01 1.56 -0.53 0.00 0.00 176.83 178.74 2q3r h GLN 52 N 1.03 0.41 -0.42 2.24 4.20 -1.45 -2.71 115.11 118.41 2q3r h GLN 52 Ca 0.25 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2q3r h GLN 52 Cb 0.12 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2q3r h GLN 52 CO -0.03 0.45 0.00 0.54 -0.67 0.00 0.00 178.83 179.12 2q3r n ARG 53 N -4.31 2.14 -3.49 1.46 1.74 -0.74 -4.58 116.66 108.88 2q3r n ARG 53 Ca 0.01 -1.76 -0.34 0.00 -0.77 0.00 0.00 57.85 54.99 2q3r n ARG 53 Cb 0.22 -1.42 -0.05 0.00 -1.02 0.00 0.00 32.46 30.19 2q3r n ARG 53 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2q3r s THR 54 N -1.45 5.00 0.04 0.55 2.01 -0.85 -4.97 115.64 115.97 2q3r s THR 54 Ca 0.35 0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.84 2q3r s THR 54 Cb 0.19 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 2q3r s THR 54 CO 0.25 0.14 -0.05 0.42 -0.69 0.00 0.00 174.62 174.69 2q3r s THR 55 N -1.57 0.35 -0.03 -0.82 -4.23 -1.26 -5.01 115.64 103.07 2q3r s THR 55 Ca 0.39 -1.26 -0.30 0.00 -1.18 0.00 0.00 61.69 59.35 2q3r s THR 55 Cb -0.13 -0.78 -0.07 0.00 1.34 0.00 0.00 72.50 72.85 2q3r s THR 55 CO 0.20 -0.60 1.97 -2.84 -0.54 0.00 0.00 174.62 172.81 2q3r s PRO 56 N -2.24 3.94 0.00 3.99 0.02 -0.91 -0.42 135.00 139.37 2q3r s PRO 56 Ca -0.06 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.37 2q3r s PRO 56 Cb -0.05 -4.18 0.00 0.00 0.02 0.00 0.00 34.50 30.29 2q3r s PRO 56 CO -0.03 -1.18 0.00 0.41 -0.33 0.00 0.00 177.00 175.87 2q3r n GLY 57 N 4.74 0.57 3.85 0.52 0.00 0.19 -4.77 105.19 110.29 2q3r n GLY 57 Ca 0.21 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2q3r n GLY 57 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2q3r s GLY 58 N -2.23 2.41 -0.23 -0.02 0.00 0.43 -1.48 107.32 106.21 2q3r s GLY 58 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 44.72 44.57 2q3r s GLY 58 CO 0.00 0.17 0.09 -0.12 0.00 0.00 0.00 173.10 173.23 2q3r s PHE 59 N -1.70 3.18 -0.05 1.90 5.99 -1.26 -0.52 117.98 125.52 2q3r s PHE 59 Ca 0.45 -0.11 0.03 0.00 0.00 0.00 0.00 56.93 57.31 2q3r s PHE 59 Cb -0.13 -2.20 0.00 0.00 0.00 0.00 0.00 43.02 40.69 2q3r s PHE 59 CO 0.20 -0.10 -0.15 -0.51 -0.00 0.00 0.00 175.22 174.66 2q3r s LEU 60 N 1.11 1.83 0.04 6.12 1.02 -0.26 -0.40 118.68 128.13 2q3r s LEU 60 Ca 0.05 -0.32 0.02 0.00 0.02 0.00 0.00 54.13 53.90 2q3r s LEU 60 Cb -0.14 -0.89 -0.04 0.00 0.02 0.00 0.00 46.19 45.14 2q3r s LEU 60 CO 0.04 0.11 0.04 -0.63 0.02 0.00 0.00 176.35 175.92 2q3r s ILE 61 N 0.25 4.33 0.71 -0.59 1.01 0.06 -1.52 121.20 125.44 2q3r s ILE 61 Ca -0.07 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 59.81 2q3r s ILE 61 Cb -0.13 -3.01 0.05 0.00 0.01 0.00 0.00 42.46 39.39 2q3r s ILE 61 CO 0.03 0.25 1.04 0.42 0.00 0.00 0.00 174.94 176.68 2q3r s THR 62 N -1.23 2.48 0.92 2.92 -4.23 -0.34 -4.37 115.64 111.80 2q3r s THR 62 Ca 0.24 -0.12 -0.10 0.00 -1.18 0.00 0.00 61.69 60.53 2q3r s THR 62 Cb -0.12 -3.10 0.15 0.00 1.34 0.00 0.00 72.50 70.78 2q3r s THR 62 CO 0.16 -0.11 1.13 -1.84 -0.54 0.00 0.00 174.62 173.42 2q3r n GLU 63 N -2.97 -0.49 -1.73 3.99 0.28 -1.26 -4.07 120.64 114.38 2q3r n GLU 63 Ca 0.07 -0.08 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 2q3r n GLU 63 Cb 0.60 -2.37 -0.01 0.00 1.43 0.00 0.00 31.44 31.10 2q3r n GLU 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2q3r n ALA 64 N -4.26 1.76 -3.15 -1.84 0.00 -1.26 -4.37 120.51 107.38 2q3r n ALA 64 Ca 0.12 0.36 -0.28 0.00 0.00 0.00 0.00 53.44 53.63 2q3r n ALA 64 Cb 0.52 -2.33 -0.17 0.00 0.00 0.00 0.00 19.45 17.48 2q3r n ALA 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2q3r s THR 65 N -0.99 1.66 0.39 0.00 2.01 0.12 -4.35 115.64 114.48 2q3r s THR 65 Ca 0.56 -0.81 -0.27 0.00 0.31 0.00 0.00 61.69 61.48 2q3r s THR 65 Cb -0.53 -1.44 -0.09 0.00 0.01 0.00 0.00 72.50 70.44 2q3r s THR 65 CO 0.61 0.47 1.34 -0.83 -0.69 0.00 0.00 174.62 175.53 2q3r s GLY 66 N 0.29 2.94 0.01 4.40 0.00 0.13 0.75 107.32 115.83 2q3r s GLY 66 Ca -0.12 1.31 0.22 0.00 0.00 0.00 0.00 44.72 46.13 2q3r s GLY 66 CO 0.05 1.92 0.92 3.33 0.00 0.00 0.00 173.10 179.33 2q3r n VAL 67 N 0.27 0.04 -3.56 1.40 0.24 -0.26 -2.27 118.33 114.19 2q3r n VAL 67 Ca 0.03 -0.13 -0.07 0.00 -2.04 0.00 0.00 64.34 62.13 2q3r n VAL 67 Cb 0.42 0.60 -0.02 0.00 -1.47 0.00 0.00 33.84 33.38 2q3r n VAL 67 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2q3r s SER 68 N -3.42 -0.31 0.11 -1.34 1.04 -1.26 -4.69 113.70 103.83 2q3r s SER 68 Ca 0.05 -0.08 0.05 0.00 0.48 0.00 0.00 55.95 56.46 2q3r s SER 68 Cb 0.16 0.39 0.30 0.00 0.10 0.00 0.00 66.02 66.96 2q3r s SER 68 CO 0.84 -0.65 1.05 -0.90 0.98 0.00 0.00 173.24 174.56 2q3r n ASP 69 N -0.28 0.14 -0.50 7.02 5.75 -1.26 -0.27 116.55 127.14 2q3r n ASP 69 Ca -0.08 0.45 0.04 0.00 -0.01 0.00 0.00 54.79 55.19 2q3r n ASP 69 Cb 0.61 -0.44 0.12 0.00 -1.03 0.00 0.00 41.12 40.38 2q3r n ASP 69 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2q3r n THR 70 N -1.62 0.91 0.21 2.12 -2.24 -1.26 -4.44 114.28 107.96 2q3r n THR 70 Ca -0.00 -0.96 0.10 0.00 -2.27 0.00 0.00 64.05 60.92 2q3r n THR 70 Cb 0.18 0.56 0.34 0.00 -2.10 0.00 0.00 70.33 69.31 2q3r n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2q3r h ALA 71 N 1.64 0.94 -2.43 6.98 0.00 -0.99 -3.44 119.26 121.96 2q3r h ALA 71 Ca 0.00 -0.18 -0.48 0.00 0.00 0.00 0.00 54.91 54.26 2q3r h ALA 71 Cb 0.66 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.43 2q3r h ALA 71 CO 0.00 0.25 0.40 -0.65 0.00 0.00 0.00 179.25 179.24 2q3r s GLN 72 N -3.41 4.15 0.00 0.00 1.11 -1.26 0.14 119.66 120.39 2q3r s GLN 72 Ca 0.03 1.44 0.00 0.00 0.01 0.00 0.00 55.36 56.84 2q3r s GLN 72 Cb 0.08 -2.46 0.00 0.00 -1.01 0.00 0.00 33.01 29.62 2q3r s GLN 72 CO 0.65 -0.14 0.18 0.41 0.01 0.00 0.00 175.29 176.40 2q3r n GLY 73 N 0.18 -0.47 3.31 3.09 0.00 -1.26 -4.69 105.19 105.35 2q3r n GLY 73 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 2q3r n GLY 73 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q3r s TYR 74 N 0.00 1.33 0.44 1.61 2.02 -1.26 -4.54 117.35 116.95 2q3r s TYR 74 Ca 0.00 -1.44 -0.05 0.00 -0.37 0.00 0.00 57.07 55.21 2q3r s TYR 74 Cb 0.00 -0.49 -0.04 0.00 -0.40 0.00 0.00 41.96 41.03 2q3r s TYR 74 CO 0.00 -0.84 0.74 -0.65 -1.57 0.00 0.00 175.55 173.22 2q3r s GLN 75 N -3.67 3.57 -0.58 -0.62 -0.21 -1.26 -4.57 119.66 112.32 2q3r s GLN 75 Ca 0.37 0.15 -0.16 0.00 0.02 0.00 0.00 55.36 55.75 2q3r s GLN 75 Cb 0.03 -2.43 0.02 0.00 1.00 0.00 0.00 33.01 31.63 2q3r s GLN 75 CO 0.20 -0.11 0.30 -0.25 -2.12 0.00 0.00 175.29 173.30 2q3r n ASP 76 N -1.99 -1.74 -4.56 5.90 8.00 -1.26 -4.65 116.55 116.24 2q3r n ASP 76 Ca -0.00 -0.62 -0.32 0.00 0.71 0.00 0.00 54.79 54.56 2q3r n ASP 76 Cb 0.55 -0.74 -0.11 0.00 -0.02 0.00 0.00 41.12 40.80 2q3r n ASP 76 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2q3r s THR 77 N -4.26 3.45 0.64 -3.53 -4.23 -1.26 -1.66 115.64 104.79 2q3r s THR 77 Ca 0.22 -0.82 -0.15 0.00 -1.18 0.00 0.00 61.69 59.76 2q3r s THR 77 Cb -0.12 -2.48 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 2q3r s THR 77 CO 0.46 0.41 1.09 -2.16 -0.54 0.00 0.00 174.62 173.88 2q3r s PRO 78 N -1.32 2.99 0.41 3.99 0.04 -1.26 -4.11 135.00 135.73 2q3r s PRO 78 Ca 0.16 1.29 0.06 0.00 0.04 0.00 0.00 61.00 62.55 2q3r s PRO 78 Cb -0.11 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 2q3r s PRO 78 CO 0.06 -1.09 0.02 0.20 0.04 0.00 0.00 177.00 176.23 2q3r s GLY 79 N -2.74 2.50 -0.36 0.56 0.00 -0.55 0.19 107.32 106.92 2q3r s GLY 79 Ca 0.65 -2.08 0.12 0.00 0.00 0.00 0.00 44.72 43.41 2q3r s GLY 79 CO 0.41 -2.06 1.41 4.51 0.00 0.00 0.00 173.10 177.36 2q3r n ILE 80 N -0.96 0.15 0.44 0.90 3.06 -0.96 -4.75 119.36 117.25 2q3r n ILE 80 Ca -0.06 -1.46 0.05 0.00 -2.50 0.00 0.00 62.75 58.78 2q3r n ILE 80 Cb 0.67 1.00 -0.02 0.00 0.54 0.00 0.00 39.64 41.83 2q3r n ILE 80 CO 0.00 0.00 0.00 -2.67 -2.50 0.00 0.00 176.55 171.38 2q3r n TRP 81 N -1.02 0.00 -4.37 9.51 2.14 -1.26 -4.32 117.44 118.11 2q3r n TRP 81 Ca -0.09 0.00 -0.30 0.00 2.07 0.00 0.00 57.50 59.19 2q3r n TRP 81 Cb 0.86 0.00 -0.11 0.00 -0.81 0.00 0.00 31.31 31.24 2q3r n TRP 81 CO 0.00 0.00 0.00 0.95 2.07 0.00 0.00 177.69 180.71 2q3r s THR 82 N -1.53 2.92 0.40 -1.67 -4.23 -1.26 -4.94 115.64 105.32 2q3r s THR 82 Ca 0.06 -1.39 0.07 0.00 -1.18 0.00 0.00 61.69 59.26 2q3r s THR 82 Cb 0.08 -2.32 0.28 0.00 1.34 0.00 0.00 72.50 71.88 2q3r s THR 82 CO 0.29 0.16 2.03 0.11 -0.54 0.00 0.00 174.62 176.67 2q3r h LYS 83 N 3.91 0.58 0.01 3.99 1.57 -1.99 -1.03 116.57 123.61 2q3r h LYS 83 Ca -0.49 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.27 2q3r h LYS 83 Cb 1.16 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 2q3r h LYS 83 CO 0.47 0.39 -0.10 1.49 -0.57 0.00 0.00 179.45 181.12 2q3r h GLU 84 N 0.60 -0.18 -0.92 3.15 4.22 -1.99 0.20 114.58 119.66 2q3r h GLU 84 Ca 0.20 0.01 0.11 0.00 0.08 0.00 0.00 59.36 59.77 2q3r h GLU 84 Cb 0.06 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.27 2q3r h GLU 84 CO -0.05 -0.12 0.55 0.45 -2.18 0.00 0.00 179.01 177.66 2q3r h HIS 85 N -0.18 0.99 0.09 0.92 3.86 -1.57 0.16 115.15 119.43 2q3r h HIS 85 Ca 0.04 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.30 2q3r h HIS 85 Cb 0.23 -0.31 -0.04 0.00 1.06 0.00 0.00 27.41 28.35 2q3r h HIS 85 CO -0.16 0.38 -0.32 0.28 0.86 0.00 0.00 177.93 178.97 2q3r h VAL 86 N 0.88 0.31 -0.87 2.45 2.07 -0.03 -1.11 116.25 119.95 2q3r h VAL 86 Ca 0.46 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.11 2q3r h VAL 86 Cb 0.46 0.31 -0.07 0.00 -1.52 0.00 0.00 31.29 30.48 2q3r h VAL 86 CO -0.27 0.00 0.56 -0.33 0.02 0.00 0.00 177.57 177.55 2q3r h GLU 87 N -0.53 0.67 -0.01 1.57 4.39 0.20 -1.88 114.58 118.99 2q3r h GLU 87 Ca 0.04 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 2q3r h GLU 87 Cb 0.57 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 2q3r h GLU 87 CO -0.21 0.45 -0.65 0.00 -1.16 0.00 0.00 179.01 177.44 2q3r h ALA 88 N 1.60 0.90 0.00 3.43 0.00 -0.02 -3.22 119.26 121.95 2q3r h ALA 88 Ca 0.43 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2q3r h ALA 88 Cb 0.67 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2q3r h ALA 88 CO -0.19 0.79 -0.25 -1.49 0.00 0.00 0.00 179.25 178.11 2q3r h TRP 89 N 0.04 0.00 0.14 0.00 4.06 -0.40 -3.36 115.95 116.43 2q3r h TRP 89 Ca -0.01 0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.96 2q3r h TRP 89 Cb 1.15 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.27 2q3r h TRP 89 CO 0.01 0.25 -0.38 0.87 -3.56 0.00 0.00 178.44 175.63 2q3r h LYS 90 N 0.00 -0.60 0.00 0.49 1.57 -1.51 -0.62 116.57 115.90 2q3r h LYS 90 Ca -0.00 0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2q3r h LYS 90 Cb 0.96 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 2q3r h LYS 90 CO 0.03 -0.40 -0.02 -1.00 -0.57 0.00 0.00 179.45 177.50 2q3r h PRO 91 N -0.62 0.00 0.15 3.15 0.13 -1.78 0.20 132.00 133.23 2q3r h PRO 91 Ca 0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 2q3r h PRO 91 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2q3r h PRO 91 CO -0.21 0.02 -0.07 0.82 -0.23 0.00 0.00 178.00 178.32 2q3r h ILE 92 N 0.00 0.83 -0.62 -3.56 2.04 -1.57 -1.14 117.51 113.49 2q3r h ILE 92 Ca -0.00 -1.16 0.09 0.00 1.00 0.00 0.00 64.86 64.79 2q3r h ILE 92 Cb 0.16 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 2q3r h ILE 92 CO 0.00 0.22 0.41 0.58 0.00 0.00 0.00 178.15 179.36 2q3r h VAL 93 N -0.88 0.93 -0.17 1.67 2.07 -0.88 -1.83 116.25 117.17 2q3r h VAL 93 Ca -0.02 -0.17 -0.16 0.00 0.82 0.00 0.00 66.70 67.17 2q3r h VAL 93 Cb 0.52 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2q3r h VAL 93 CO 0.03 0.09 -0.55 0.44 0.02 0.00 0.00 177.57 177.61 2q3r h ASP 94 N 0.49 0.55 0.85 0.57 5.19 -0.56 -2.07 116.42 121.45 2q3r h ASP 94 Ca 0.28 -0.29 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2q3r h ASP 94 Cb 0.45 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.80 2q3r h ASP 94 CO -0.08 0.99 0.00 0.00 -3.12 0.00 0.00 179.24 177.03 2q3r n ALA 95 N -2.51 1.82 -0.09 3.45 0.00 -0.44 -1.68 120.51 121.06 2q3r n ALA 95 Ca -0.03 0.03 -0.23 0.00 0.00 0.00 0.00 53.44 53.22 2q3r n ALA 95 Cb 0.60 -1.39 -0.12 0.00 0.00 0.00 0.00 19.45 18.55 2q3r n ALA 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2q3r n VAL 96 N -2.09 1.58 0.24 0.00 0.31 -1.00 -4.09 118.33 113.28 2q3r n VAL 96 Ca 0.03 -0.22 0.11 0.00 -0.01 0.00 0.00 64.34 64.26 2q3r n VAL 96 Cb 0.27 -1.94 0.72 0.00 -0.91 0.00 0.00 33.84 31.98 2q3r n VAL 96 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 2q3r h HIS 97 N -0.76 0.00 -0.58 3.52 -0.00 -1.30 -1.29 115.15 114.74 2q3r h HIS 97 Ca -0.42 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 59.99 2q3r h HIS 97 Cb 1.51 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.89 2q3r h HIS 97 CO 0.06 0.00 0.38 0.00 -0.00 0.00 0.00 177.93 178.38 2q3r h ALA 98 N 1.96 1.77 -0.63 2.45 0.00 -1.47 -0.78 119.26 122.56 2q3r h ALA 98 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2q3r h ALA 98 Cb 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2q3r h ALA 98 CO -0.00 0.14 0.00 1.63 0.00 0.00 0.00 179.25 181.02 2q3r n LYS 99 N -4.47 3.90 -1.00 0.00 5.02 -0.51 -4.96 118.16 116.12 2q3r n LYS 99 Ca 0.08 -2.93 -0.00 0.00 -2.02 0.00 0.00 58.31 53.43 2q3r n LYS 99 Cb 0.19 -1.94 -0.00 0.00 -0.02 0.00 0.00 35.03 33.26 2q3r n LYS 99 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2q3r n GLY 100 N 1.01 0.47 3.80 0.72 0.00 -0.30 -2.14 105.19 108.75 2q3r n GLY 100 Ca 0.26 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2q3r n GLY 100 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2q3r s GLY 101 N -2.26 2.13 -0.18 -0.02 0.00 -1.03 -0.63 107.32 105.31 2q3r s GLY 101 Ca 0.00 0.39 -0.09 0.00 0.00 0.00 0.00 44.72 45.03 2q3r s GLY 101 CO 0.00 0.71 0.10 -0.42 0.00 0.00 0.00 173.10 173.49 2q3r s ILE 102 N -2.45 5.17 -0.17 0.90 1.09 0.32 -4.45 121.20 121.61 2q3r s ILE 102 Ca 0.64 0.10 -0.01 0.00 -1.10 0.00 0.00 60.65 60.28 2q3r s ILE 102 Cb -0.16 -3.34 0.04 0.00 -1.06 0.00 0.00 42.46 37.95 2q3r s ILE 102 CO 0.37 0.47 -0.04 0.12 -0.10 0.00 0.00 174.94 175.75 2q3r s PHE 103 N 0.23 1.65 -0.09 3.97 5.36 -1.26 -1.10 117.98 126.74 2q3r s PHE 103 Ca 0.07 -1.07 -0.02 0.00 -0.96 0.00 0.00 56.93 54.94 2q3r s PHE 103 Cb -0.12 -1.29 -0.03 0.00 -0.34 0.00 0.00 43.02 41.24 2q3r s PHE 103 CO -0.01 -0.61 0.00 -0.06 -1.46 0.00 0.00 175.22 173.08 2q3r s PHE 104 N 1.65 3.15 -0.32 10.12 0.40 -0.58 -1.29 117.98 131.12 2q3r s PHE 104 Ca 0.00 0.16 -0.19 0.00 -0.60 0.00 0.00 56.93 56.30 2q3r s PHE 104 Cb -0.15 -1.81 -0.01 0.00 0.51 0.00 0.00 43.02 41.56 2q3r s PHE 104 CO -0.08 0.43 0.59 0.00 0.70 0.00 0.00 175.22 176.86 2q3r s GLN 106 N 2.54 4.28 -0.13 0.00 0.74 -1.26 -1.43 119.66 124.40 2q3r s GLN 106 Ca 0.23 1.15 -0.02 0.00 0.05 0.00 0.00 55.36 56.77 2q3r s GLN 106 Cb -0.15 -3.60 -0.03 0.00 1.10 0.00 0.00 33.01 30.33 2q3r s GLN 106 CO 0.12 -0.45 -0.05 0.96 -0.55 0.00 0.00 175.29 175.32 2q3r s ILE 107 N 2.58 3.85 0.26 -2.34 -4.36 0.09 0.12 121.20 121.39 2q3r s ILE 107 Ca 0.41 -0.39 0.02 0.00 -0.26 0.00 0.00 60.65 60.43 2q3r s ILE 107 Cb -0.16 -2.65 -0.04 0.00 1.25 0.00 0.00 42.46 40.86 2q3r s ILE 107 CO 0.10 0.53 0.18 -1.66 0.24 0.00 0.00 174.94 174.33 2q3r s TRP 108 N -0.03 1.43 -0.10 1.37 1.48 0.23 -0.25 118.94 123.07 2q3r s TRP 108 Ca 0.01 -1.46 -0.04 0.00 -1.06 0.00 0.00 56.10 53.55 2q3r s TRP 108 Cb -0.13 -0.67 0.05 0.00 -1.16 0.00 0.00 33.47 31.56 2q3r s TRP 108 CO 0.03 -0.68 0.20 -1.58 -4.06 0.00 0.00 176.95 170.85 2q3r s HIS 109 N -3.84 -0.27 -0.86 1.66 2.46 -1.26 -1.10 115.29 112.09 2q3r s HIS 109 Ca 0.39 0.74 0.14 0.00 0.47 0.00 0.00 55.06 56.80 2q3r s HIS 109 Cb 0.05 -0.16 0.60 0.00 -0.13 0.00 0.00 32.58 32.95 2q3r s HIS 109 CO 0.18 -0.29 1.44 1.33 -2.47 0.00 0.00 174.74 174.92 2q3r n VAL 110 N 5.20 1.16 -1.68 0.89 0.24 0.37 -1.82 118.33 122.69 2q3r n VAL 110 Ca -0.08 0.32 0.00 0.00 -2.04 0.00 0.00 64.34 62.54 2q3r n VAL 110 Cb 0.50 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 31.70 2q3r n VAL 110 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2q3r n GLY 111 N -0.36 2.96 0.00 7.63 0.00 -1.26 -1.12 105.19 113.04 2q3r n GLY 111 Ca 0.02 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 45.90 2q3r n GLY 111 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2q3r n ARG 112 N 14.00 0.06 -2.89 1.61 1.85 -0.84 -4.07 116.66 126.38 2q3r n ARG 112 Ca 0.00 0.27 -0.44 0.00 -1.00 0.00 0.00 57.85 56.68 2q3r n ARG 112 Cb 0.00 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 29.91 2q3r n ARG 112 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2q3r n VAL 113 N -1.40 4.28 -1.34 8.89 0.31 -0.28 -4.81 118.33 123.98 2q3r n VAL 113 Ca 0.03 -4.72 0.00 0.00 -0.01 0.00 0.00 64.34 59.65 2q3r n VAL 113 Cb 0.10 -2.45 0.00 0.00 -0.91 0.00 0.00 33.84 30.57 2q3r n VAL 113 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2q3r n SER 114 N 5.32 0.00 -3.61 4.52 2.88 -1.26 -4.17 113.62 117.30 2q3r n SER 114 Ca 0.37 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.77 2q3r n SER 114 Cb 0.42 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.82 2q3r n SER 114 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2q3r s ASN 115 N -1.78 0.61 0.46 -3.46 6.03 -1.26 -4.08 114.94 111.46 2q3r s ASN 115 Ca 0.00 -1.36 0.12 0.00 -1.03 0.00 0.00 52.86 50.58 2q3r s ASN 115 Cb 0.00 0.58 1.05 0.00 -3.03 0.00 0.00 41.25 39.86 2q3r s ASN 115 CO 0.00 -1.15 2.09 0.77 -2.03 0.00 0.00 177.10 176.77 2q3r h SER 116 N 2.24 0.26 0.16 3.54 4.64 -1.85 -1.38 113.55 121.16 2q3r h SER 116 Ca -0.29 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.02 2q3r h SER 116 Cb 1.24 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2q3r h SER 116 CO 0.40 0.19 -0.05 1.23 -0.87 0.00 0.00 176.83 177.73 2q3r h GLY 117 N 0.31 0.00 -1.94 -0.77 0.00 -1.85 -1.29 103.07 97.53 2q3r h GLY 117 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2q3r h GLY 117 CO -0.02 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.21 2q3r n PHE 118 N -3.68 0.11 -3.97 5.60 3.72 -0.54 -4.97 117.46 113.73 2q3r n PHE 118 Ca -0.02 -0.06 -0.27 0.00 -0.05 0.00 0.00 57.45 57.05 2q3r n PHE 118 Cb 0.14 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.65 2q3r n PHE 118 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2q3r s GLN 119 N -1.81 3.31 0.34 -1.08 -1.52 -0.48 -4.73 119.66 113.69 2q3r s GLN 119 Ca 0.29 -0.63 -0.29 0.00 -1.95 0.00 0.00 55.36 52.78 2q3r s GLN 119 Cb 0.20 -2.90 -0.11 0.00 -0.22 0.00 0.00 33.01 29.98 2q3r s GLN 119 CO 0.29 0.53 1.39 -2.14 -0.25 0.00 0.00 175.29 175.11 2q3r s PRO 120 N -3.08 4.25 -1.69 2.91 0.02 -1.26 -2.14 135.00 134.01 2q3r s PRO 120 Ca 0.34 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.72 2q3r s PRO 120 Cb -0.11 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.37 2q3r s PRO 120 CO 0.27 -0.35 0.00 0.09 -0.33 0.00 0.00 177.00 176.68 2q3r n ASN 121 N 0.86 -5.27 -2.03 2.53 3.02 -1.26 -1.83 115.26 111.27 2q3r n ASN 121 Ca 0.01 0.14 -0.15 0.00 -0.03 0.00 0.00 54.58 54.55 2q3r n ASN 121 Cb 0.41 -4.48 -0.03 0.00 -0.61 0.00 0.00 39.78 35.07 2q3r n ASN 121 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q3r n GLY 122 N -0.81 0.28 3.80 7.41 0.00 -0.91 -4.95 105.19 110.01 2q3r n GLY 122 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 2q3r n GLY 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q3r s LYS 123 N -4.33 0.27 0.36 1.61 1.02 -0.76 -4.73 119.74 113.17 2q3r s LYS 123 Ca 0.00 -0.12 -0.25 0.00 0.02 0.00 0.00 55.97 55.62 2q3r s LYS 123 Cb 0.00 -1.78 -0.10 0.00 -0.52 0.00 0.00 37.83 35.44 2q3r s LYS 123 CO 0.00 -2.71 0.99 0.00 -0.92 0.00 0.00 175.35 172.71 2q3r s ALA 124 N -3.47 3.16 0.57 5.17 0.00 -1.26 -3.87 121.76 122.06 2q3r s ALA 124 Ca 0.70 0.59 -0.20 0.00 0.00 0.00 0.00 51.96 53.05 2q3r s ALA 124 Cb -0.08 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 2q3r s ALA 124 CO 0.54 0.01 1.27 -2.14 0.00 0.00 0.00 175.76 175.45 2q3r s PRO 125 N -2.29 3.04 0.25 0.00 0.02 -1.26 -4.61 135.00 130.16 2q3r s PRO 125 Ca 0.54 2.02 0.01 0.00 0.02 0.00 0.00 61.00 63.59 2q3r s PRO 125 Cb -0.20 -2.09 -0.04 0.00 0.02 0.00 0.00 34.50 32.20 2q3r s PRO 125 CO 0.25 -1.20 0.42 0.96 -0.33 0.00 0.00 177.00 177.10 2q3r s ILE 126 N -1.44 5.20 0.24 2.83 -4.36 -1.26 -0.52 121.20 121.89 2q3r s ILE 126 Ca 0.75 -0.59 -0.21 0.00 -0.26 0.00 0.00 60.65 60.33 2q3r s ILE 126 Cb -0.35 -3.81 0.05 0.00 1.25 0.00 0.00 42.46 39.60 2q3r s ILE 126 CO 0.40 -0.33 0.88 -0.55 0.24 0.00 0.00 174.94 175.58 2q3r s SER 127 N -3.67 -0.12 0.63 4.36 0.15 -1.10 -1.98 113.70 111.97 2q3r s SER 127 Ca 0.37 -0.67 0.41 0.00 0.70 0.00 0.00 55.95 56.76 2q3r s SER 127 Cb -0.10 0.63 2.08 0.00 -1.71 0.00 0.00 66.02 66.92 2q3r s SER 127 CO 0.31 -1.21 2.25 0.00 1.20 0.00 0.00 173.24 175.79 2q3r n SER 129 N -3.09 -0.72 -1.10 0.00 3.41 -1.26 -4.55 113.62 106.30 2q3r n SER 129 Ca -0.02 -1.83 0.12 0.00 -0.26 0.00 0.00 58.87 56.88 2q3r n SER 129 Cb 0.15 1.30 0.18 0.00 -0.26 0.00 0.00 64.21 65.58 2q3r n SER 129 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2q3r n ASP 130 N -1.74 3.32 -4.71 4.04 5.68 -1.26 -3.85 116.55 118.03 2q3r n ASP 130 Ca -0.01 -2.00 -0.56 0.00 -0.50 0.00 0.00 54.79 51.72 2q3r n ASP 130 Cb 0.27 -0.16 -0.07 0.00 -1.14 0.00 0.00 41.12 40.02 2q3r n ASP 130 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2q3r n LYS 131 N 1.46 1.34 -2.24 0.11 5.02 -1.26 -4.02 118.16 118.57 2q3r n LYS 131 Ca 0.18 0.49 -0.41 0.00 -2.02 0.00 0.00 58.31 56.55 2q3r n LYS 131 Cb 0.61 -2.20 -0.03 0.00 -0.02 0.00 0.00 35.03 33.38 2q3r n LYS 131 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2q3r s PRO 132 N 3.68 4.42 -0.17 1.97 0.04 -1.26 -4.62 135.00 139.07 2q3r s PRO 132 Ca 0.98 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 64.01 2q3r s PRO 132 Cb -1.00 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 2q3r s PRO 132 CO 0.63 -0.16 0.02 -1.17 0.04 0.00 0.00 177.00 176.37 2q3r s LEU 133 N -0.76 3.60 -1.26 -3.56 2.96 -1.26 -4.58 118.68 113.83 2q3r s LEU 133 Ca 0.53 0.01 -0.19 0.00 -0.22 0.00 0.00 54.13 54.26 2q3r s LEU 133 Cb -0.36 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.44 2q3r s LEU 133 CO 0.42 0.18 0.60 0.23 -1.32 0.00 0.00 176.35 176.46 2q3r n MET 134 N 3.49 -1.33 0.22 1.98 2.81 -1.26 -4.68 117.12 118.35 2q3r n MET 134 Ca -0.17 0.29 0.17 0.00 -1.81 0.00 0.00 57.70 56.18 2q3r n MET 134 Cb 0.52 -3.66 0.85 0.00 -0.71 0.00 0.00 33.22 30.22 2q3r n MET 134 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2q3r h PRO 135 N -2.11 0.00 0.00 0.03 0.13 -1.93 -1.71 132.00 126.41 2q3r h PRO 135 Ca -0.67 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 2q3r h PRO 135 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2q3r h PRO 135 CO 0.55 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.32 2q3r n GLN 136 N -3.78 0.19 -4.00 0.86 0.00 -1.26 -4.67 117.38 104.72 2q3r n GLN 136 Ca 0.01 0.16 -0.35 0.00 0.00 0.00 0.00 57.00 56.81 2q3r n GLN 136 Cb 0.29 -1.50 -0.13 0.00 0.00 0.00 0.00 30.24 28.90 2q3r n GLN 136 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2q3r s ILE 137 N -2.50 3.77 0.35 -0.39 1.01 -0.65 -5.07 121.20 117.72 2q3r s ILE 137 Ca 0.12 -0.37 0.09 0.00 0.00 0.00 0.00 60.65 60.48 2q3r s ILE 137 Cb 0.08 -2.71 -0.06 0.00 0.01 0.00 0.00 42.46 39.78 2q3r s ILE 137 CO 0.17 0.42 0.03 -0.13 0.00 0.00 0.00 174.94 175.42 2q3r s ARG 138 N 1.23 2.08 0.87 2.79 3.00 -1.26 -0.21 118.95 127.46 2q3r s ARG 138 Ca 0.03 -1.79 -0.11 0.00 0.00 0.00 0.00 55.73 53.86 2q3r s ARG 138 Cb -0.15 -1.91 0.12 0.00 0.00 0.00 0.00 34.95 33.01 2q3r s ARG 138 CO 0.00 0.10 1.10 -1.12 0.00 0.00 0.00 175.30 175.38 2q3r s SER 139 N -3.73 3.59 -0.84 0.23 0.01 -1.12 -4.60 113.70 107.24 2q3r s SER 139 Ca 0.35 1.72 -0.22 0.00 1.31 0.00 0.00 55.95 59.12 2q3r s SER 139 Cb 0.01 -2.37 -0.21 0.00 0.21 0.00 0.00 66.02 63.67 2q3r s SER 139 CO 0.19 -2.60 2.39 -3.20 0.41 0.00 0.00 173.24 170.43 2q3r n ASN 140 N -3.88 0.56 0.00 2.44 2.85 -1.26 -3.31 115.26 112.66 2q3r n ASN 140 Ca 0.08 -0.69 0.00 0.00 -0.11 0.00 0.00 54.58 53.87 2q3r n ASN 140 Cb 0.54 -1.15 0.00 0.00 1.24 0.00 0.00 39.78 40.41 2q3r n ASN 140 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2q3r n GLY 141 N 6.19 2.04 3.50 8.20 0.00 -1.26 -5.06 105.19 118.80 2q3r n GLY 141 Ca 0.56 -0.69 -0.45 0.00 0.00 0.00 0.00 46.02 45.43 2q3r n GLY 141 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2q3r n ILE 142 N 0.00 1.95 0.43 -0.61 5.41 -1.21 -4.81 119.36 120.53 2q3r n ILE 142 Ca 0.00 -0.50 -0.03 0.00 1.00 0.00 0.00 62.75 63.22 2q3r n ILE 142 Cb 0.00 -0.56 0.07 0.00 -0.71 0.00 0.00 39.64 38.44 2q3r n ILE 142 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2q3r n ASP 143 N 1.53 2.83 -4.56 4.38 3.85 -1.26 -4.21 116.55 119.10 2q3r n ASP 143 Ca 0.13 -2.36 -0.34 0.00 -0.71 0.00 0.00 54.79 51.51 2q3r n ASP 143 Cb 0.30 -0.57 -0.11 0.00 -1.35 0.00 0.00 41.12 39.39 2q3r n ASP 143 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 2q3r s GLU 144 N -1.13 3.66 0.22 0.11 2.12 -1.26 -5.04 118.70 117.37 2q3r s GLU 144 Ca 0.15 -0.46 -0.29 0.00 0.36 0.00 0.00 54.97 54.73 2q3r s GLU 144 Cb 0.12 -2.97 -0.16 0.00 0.26 0.00 0.00 34.13 31.38 2q3r s GLU 144 CO 0.04 0.31 0.77 0.00 -0.54 0.00 0.00 175.26 175.84 2q3r n ALA 145 N 3.34 -1.85 0.28 6.30 0.00 -1.26 -2.77 120.51 124.54 2q3r n ALA 145 Ca -0.17 0.43 0.12 0.00 0.00 0.00 0.00 53.44 53.82 2q3r n ALA 145 Cb 0.53 -1.79 0.13 0.00 0.00 0.00 0.00 19.45 18.31 2q3r n ALA 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2q3r h LEU 146 N 1.66 0.00 -7.02 0.00 5.85 -0.84 -3.36 115.31 111.60 2q3r h LEU 146 Ca -0.34 -0.04 -0.73 0.00 0.84 0.00 0.00 57.88 57.61 2q3r h LEU 146 Cb 1.40 0.00 -0.34 0.00 0.37 0.00 0.00 40.66 42.09 2q3r h LEU 146 CO 0.60 0.02 0.13 0.49 -0.34 0.00 0.00 178.44 179.34 2q3r n PHE 147 N -2.67 3.70 -1.35 1.25 3.01 -1.26 -4.76 117.46 115.38 2q3r n PHE 147 Ca 0.02 -3.67 -0.53 0.00 1.01 0.00 0.00 57.45 54.28 2q3r n PHE 147 Cb 0.51 -1.13 -0.12 0.00 -0.01 0.00 0.00 39.48 38.73 2q3r n PHE 147 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 2q3r n THR 148 N 1.79 0.02 -1.50 4.37 -1.04 -1.26 -4.61 114.28 112.05 2q3r n THR 148 Ca 0.25 -0.06 -0.54 0.00 -2.04 0.00 0.00 64.05 61.66 2q3r n THR 148 Cb 0.37 -0.74 -0.06 0.00 -1.82 0.00 0.00 70.33 68.08 2q3r n THR 148 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2q3r n PRO 149 N 7.89 0.36 -2.21 -2.82 -0.02 -1.26 -4.52 135.00 132.42 2q3r n PRO 149 Ca 0.55 0.13 -0.32 0.00 -2.02 0.00 0.00 63.50 61.84 2q3r n PRO 149 Cb 0.03 -1.53 -0.01 0.00 -0.02 0.00 0.00 33.50 31.97 2q3r n PRO 149 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2q3r s PRO 150 N -0.26 3.67 -0.13 0.52 0.04 -1.26 -4.58 135.00 133.00 2q3r s PRO 150 Ca 0.80 1.02 -0.20 0.00 0.04 0.00 0.00 61.00 62.67 2q3r s PRO 150 Cb -1.07 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 2q3r s PRO 150 CO 0.55 -0.51 0.55 0.50 0.04 0.00 0.00 177.00 178.13 2q3r s ARG 151 N -4.19 4.32 -0.06 4.56 3.52 0.32 -4.17 118.95 123.25 2q3r s ARG 151 Ca 0.60 0.56 -0.30 0.00 -0.13 0.00 0.00 55.73 56.46 2q3r s ARG 151 Cb -0.12 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 2q3r s ARG 151 CO 0.36 0.03 1.44 0.50 -0.81 0.00 0.00 175.30 176.82 2q3r s ARG 152 N 1.01 4.24 0.13 5.12 3.52 -1.25 -2.70 118.95 129.02 2q3r s ARG 152 Ca 0.28 1.95 -0.31 0.00 -0.13 0.00 0.00 55.73 57.53 2q3r s ARG 152 Cb -0.16 -3.74 -0.10 0.00 -1.56 0.00 0.00 34.95 29.39 2q3r s ARG 152 CO 0.12 -0.69 1.63 -0.51 -0.81 0.00 0.00 175.30 175.04 2q3r s LEU 153 N 3.15 4.37 0.42 -0.88 1.43 -0.93 -4.97 118.68 121.27 2q3r s LEU 153 Ca 0.64 2.60 -0.25 0.00 -1.03 0.00 0.00 54.13 56.09 2q3r s LEU 153 Cb -0.29 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.26 2q3r s LEU 153 CO 0.24 -0.87 1.21 -0.83 0.23 0.00 0.00 176.35 176.33 2q3r s GLY 154 N 1.71 2.87 0.57 -3.19 0.00 -1.26 -4.89 107.32 103.12 2q3r s GLY 154 Ca 0.73 1.04 0.28 0.00 0.00 0.00 0.00 44.72 46.77 2q3r s GLY 154 CO 0.32 1.56 2.20 1.19 0.00 0.00 0.00 173.10 178.37 2q3r h ILE 155 N 2.23 0.58 0.00 0.90 2.10 -2.02 -0.56 117.51 120.75 2q3r h ILE 155 Ca -0.49 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 65.30 2q3r h ILE 155 Cb 1.24 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 38.07 2q3r h ILE 155 CO 0.62 0.03 0.00 -0.62 -1.08 0.00 0.00 178.15 177.10 2q3r n GLU 156 N -3.85 0.48 -0.00 2.19 1.02 -1.26 -2.44 120.64 116.78 2q3r n GLU 156 Ca -0.03 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.15 2q3r n GLU 156 Cb 0.12 -1.41 -0.05 0.00 -0.02 0.00 0.00 31.44 30.09 2q3r n GLU 156 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2q3r n GLU 157 N -0.91 3.94 -0.05 3.49 1.02 -0.22 -4.73 120.64 123.18 2q3r n GLU 157 Ca 0.10 -0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 57.09 2q3r n GLU 157 Cb 0.04 -0.91 -0.08 0.00 -0.02 0.00 0.00 31.44 30.48 2q3r n GLU 157 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2q3r h ILE 158 N 0.00 1.37 -0.65 -3.67 2.04 -1.56 -2.88 117.51 112.17 2q3r h ILE 158 Ca 0.00 -1.57 0.05 0.00 1.00 0.00 0.00 64.86 64.34 2q3r h ILE 158 Cb 0.21 2.04 -0.04 0.00 -0.74 0.00 0.00 36.82 38.29 2q3r h ILE 158 CO 0.00 0.47 0.43 -0.65 0.00 0.00 0.00 178.15 178.39 2q3r h PRO 159 N 0.04 0.68 0.14 2.37 0.11 -1.85 0.13 132.00 133.62 2q3r h PRO 159 Ca 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 2q3r h PRO 159 Cb 0.89 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2q3r h PRO 159 CO 0.06 0.45 -0.07 0.78 -0.21 0.00 0.00 178.00 179.02 2q3r h GLY 160 N 0.70 -0.19 1.16 -0.55 0.00 -1.85 0.19 103.07 102.53 2q3r h GLY 160 Ca 0.27 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.68 2q3r h GLY 160 CO -0.08 -0.07 0.55 -2.22 0.00 0.00 0.00 176.54 174.72 2q3r h ILE 161 N -0.37 1.22 -0.49 2.60 2.04 -1.21 0.71 117.51 122.02 2q3r h ILE 161 Ca -0.02 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 2q3r h ILE 161 Cb 0.29 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 2q3r h ILE 161 CO 0.03 0.22 0.17 0.58 0.00 0.00 0.00 178.15 179.14 2q3r h VAL 162 N 1.15 1.20 0.00 1.67 2.07 -0.46 0.14 116.25 122.02 2q3r h VAL 162 Ca 0.31 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2q3r h VAL 162 Cb -0.12 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2q3r h VAL 162 CO -0.07 0.25 -0.12 -3.20 0.02 0.00 0.00 177.57 174.45 2q3r n ASN 163 N -4.33 0.57 0.14 0.57 2.85 0.62 -2.98 115.26 112.71 2q3r n ASN 163 Ca 0.04 0.44 0.02 0.00 -0.11 0.00 0.00 54.58 54.96 2q3r n ASN 163 Cb 0.18 -0.52 0.35 0.00 1.24 0.00 0.00 39.78 41.03 2q3r n ASN 163 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2q3r h ASP 164 N 0.00 0.15 0.83 1.20 3.32 0.32 -1.29 116.42 120.95 2q3r h ASP 164 Ca 0.00 -0.04 -0.24 0.00 0.02 0.00 0.00 57.03 56.77 2q3r h ASP 164 Cb 0.66 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 2q3r h ASP 164 CO 0.00 0.42 -1.18 -0.26 -1.72 0.00 0.00 179.24 176.51 2q3r h PHE 165 N 0.14 0.10 -0.71 4.55 -1.00 -1.36 -3.03 116.94 115.64 2q3r h PHE 165 Ca 0.02 -0.08 -0.06 0.00 2.81 0.00 0.00 57.97 60.67 2q3r h PHE 165 Cb 0.55 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.07 2q3r h PHE 165 CO 0.01 1.07 0.22 -0.09 -1.61 0.00 0.00 178.31 177.90 2q3r h ARG 166 N 0.02 1.10 0.13 1.51 2.43 -1.37 -2.05 114.38 116.15 2q3r h ARG 166 Ca -0.09 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 58.84 2q3r h ARG 166 Cb 1.85 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.24 2q3r h ARG 166 CO 0.14 0.94 -0.06 1.25 -1.51 0.00 0.00 179.97 180.73 2q3r h LEU 167 N 1.06 -0.14 -1.17 3.80 5.85 -1.32 -1.71 115.31 121.68 2q3r h LEU 167 Ca 0.23 -0.19 0.18 0.00 0.84 0.00 0.00 57.88 58.94 2q3r h LEU 167 Cb 0.31 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.28 2q3r h LEU 167 CO -0.01 0.11 0.61 0.00 -0.34 0.00 0.00 178.44 178.81 2q3r h ALA 168 N 0.44 1.80 -0.56 1.25 0.00 -1.46 0.64 119.26 121.36 2q3r h ALA 168 Ca -0.02 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2q3r h ALA 168 Cb 0.33 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2q3r h ALA 168 CO 0.03 -0.11 0.29 0.00 0.00 0.00 0.00 179.25 179.46 2q3r h ALA 169 N 1.61 0.72 -0.39 0.00 0.00 -0.97 -0.46 119.26 119.77 2q3r h ALA 169 Ca 0.52 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.37 2q3r h ALA 169 Cb 0.88 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 2q3r h ALA 169 CO -0.29 0.25 0.13 -0.09 0.00 0.00 0.00 179.25 179.25 2q3r h ARG 170 N 0.75 0.27 0.00 0.00 9.65 0.11 -0.28 114.38 124.89 2q3r h ARG 170 Ca 0.19 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.06 2q3r h ARG 170 Cb 0.07 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 2q3r h ARG 170 CO -0.03 0.18 0.00 -0.91 2.80 0.00 0.00 179.97 182.01 2q3r h ASN 171 N 0.28 0.00 -0.00 -3.80 2.35 -0.30 -1.08 115.58 113.03 2q3r h ASN 171 Ca 0.18 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.86 2q3r h ASN 171 Cb 0.17 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.54 2q3r h ASN 171 CO -0.19 0.00 -0.29 0.00 -1.65 0.00 0.00 177.43 175.30 2q3r h ALA 172 N 2.11 0.04 -0.26 -0.83 0.00 0.57 -1.71 119.26 119.18 2q3r h ALA 172 Ca 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.44 2q3r h ALA 172 Cb 0.37 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2q3r h ALA 172 CO 0.00 0.11 0.16 0.52 0.00 0.00 0.00 179.25 180.05 2q3r h MET 173 N -0.44 0.32 -0.29 0.00 2.86 -0.75 -0.23 114.93 116.40 2q3r h MET 173 Ca -0.03 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2q3r h MET 173 Cb 1.03 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 2q3r h MET 173 CO 0.06 0.21 0.19 0.93 1.06 0.00 0.00 176.91 179.36 2q3r h GLU 174 N 0.33 0.37 0.00 1.72 5.08 -1.25 0.56 114.58 121.40 2q3r h GLU 174 Ca 0.10 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2q3r h GLU 174 Cb -0.02 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2q3r h GLU 174 CO -0.04 0.25 0.00 0.00 -1.00 0.00 0.00 179.01 178.22 2q3r n ALA 175 N -2.50 2.02 -0.16 3.43 0.00 -0.64 -4.92 120.51 117.74 2q3r n ALA 175 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2q3r n ALA 175 Cb 0.07 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.09 2q3r n ALA 175 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2q3r n GLY 176 N 0.75 0.92 3.74 0.00 0.00 0.20 -4.32 105.19 106.47 2q3r n GLY 176 Ca 0.04 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2q3r n GLY 176 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2q3r s PHE 177 N -2.00 2.22 -0.27 1.61 0.40 -0.61 -4.91 117.98 114.42 2q3r s PHE 177 Ca 0.00 1.58 0.22 0.00 -0.60 0.00 0.00 56.93 58.13 2q3r s PHE 177 Cb 0.00 -3.39 0.41 0.00 0.51 0.00 0.00 43.02 40.55 2q3r s PHE 177 CO 0.00 -2.33 1.62 -0.44 0.70 0.00 0.00 175.22 174.76 2q3r h ASP 178 N -0.12 0.00 -0.92 1.36 3.32 -1.54 -3.42 116.42 115.10 2q3r h ASP 178 Ca -0.48 0.00 0.11 0.00 0.02 0.00 0.00 57.03 56.69 2q3r h ASP 178 Cb 1.28 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 2q3r h ASP 178 CO 0.51 0.15 0.30 0.61 -1.72 0.00 0.00 179.24 179.10 2q3r n GLY 179 N 0.96 0.58 3.04 2.75 0.00 -1.23 -4.78 105.19 106.51 2q3r n GLY 179 Ca 0.03 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 2q3r n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q3r s VAL 180 N -2.15 0.45 -0.21 1.61 0.11 -0.33 -1.22 120.40 118.65 2q3r s VAL 180 Ca 0.10 -0.96 0.02 0.00 -2.93 0.00 0.00 61.98 58.21 2q3r s VAL 180 Cb -0.00 -0.52 0.04 0.00 -1.53 0.00 0.00 36.38 34.37 2q3r s VAL 180 CO 0.00 -0.36 -0.15 -0.70 -3.33 0.00 0.00 175.10 170.57 2q3r s GLU 181 N -1.42 2.54 -0.04 1.54 2.12 -0.52 -0.80 118.70 122.12 2q3r s GLU 181 Ca -0.10 -1.04 -0.30 0.00 0.36 0.00 0.00 54.97 53.90 2q3r s GLU 181 Cb -0.09 -2.67 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 2q3r s GLU 181 CO 0.00 -0.39 1.27 0.42 -0.54 0.00 0.00 175.26 176.03 2q3r s ILE 182 N 1.23 4.07 -1.12 -3.70 1.09 -0.08 -0.73 121.20 121.96 2q3r s ILE 182 Ca -0.02 1.41 -0.18 0.00 -1.10 0.00 0.00 60.65 60.77 2q3r s ILE 182 Cb -0.16 -3.91 0.11 0.00 -1.06 0.00 0.00 42.46 37.44 2q3r s ILE 182 CO -0.09 -0.01 1.43 -2.28 -0.10 0.00 0.00 174.94 173.89 2q3r s HIS 183 N 2.37 3.04 -0.49 3.97 2.46 0.65 -2.21 115.29 125.08 2q3r s HIS 183 Ca 0.59 -1.58 0.03 0.00 0.47 0.00 0.00 55.06 54.57 2q3r s HIS 183 Cb -0.27 -4.49 0.55 0.00 -0.13 0.00 0.00 32.58 28.24 2q3r s HIS 183 CO 0.23 -1.62 1.84 0.41 -2.47 0.00 0.00 174.74 173.12 2q3r n GLY 184 N 5.31 5.21 0.00 1.59 0.00 -1.02 -4.56 105.19 111.72 2q3r n GLY 184 Ca 0.36 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.70 2q3r n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q3r n ALA 185 N -1.03 0.00 -4.45 4.61 0.00 -1.18 -3.86 120.51 114.59 2q3r n ALA 185 Ca 0.56 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.59 2q3r n ALA 185 Cb 1.16 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.54 2q3r n ALA 185 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2q3r n ASN 186 N -0.89 -1.88 0.00 0.00 3.02 -1.26 -1.97 115.26 112.28 2q3r n ASN 186 Ca 0.00 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 2q3r n ASN 186 Cb 0.00 -1.87 0.00 0.00 -0.61 0.00 0.00 39.78 37.30 2q3r n ASN 186 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q3r n GLY 187 N -1.27 0.46 3.91 7.41 0.00 -1.25 -4.76 105.19 109.69 2q3r n GLY 187 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 2q3r n GLY 187 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q3r s TYR 188 N -2.15 3.37 0.05 1.61 2.02 -0.83 -4.57 117.35 116.86 2q3r s TYR 188 Ca 0.00 0.72 -0.01 0.00 -0.37 0.00 0.00 57.07 57.41 2q3r s TYR 188 Cb 0.00 -2.59 0.09 0.00 -0.40 0.00 0.00 41.96 39.06 2q3r s TYR 188 CO 0.00 -0.63 0.28 -0.11 -1.57 0.00 0.00 175.55 173.51 2q3r n LEU 189 N -2.48 -0.06 -0.06 -1.29 7.94 -0.76 0.97 117.00 121.27 2q3r n LEU 189 Ca 0.03 0.30 -0.13 0.00 -1.11 0.00 0.00 56.01 55.10 2q3r n LEU 189 Cb 0.57 -0.10 -0.07 0.00 0.53 0.00 0.00 43.42 44.35 2q3r n LEU 189 CO 0.53 -0.29 0.56 0.40 -1.11 0.00 0.00 177.39 177.48 2q3r h ILE 190 N 0.00 1.35 -0.35 1.96 2.04 -1.80 -2.91 117.51 117.81 2q3r h ILE 190 Ca 0.09 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 2q3r h ILE 190 Cb 0.15 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 2q3r h ILE 190 CO -0.18 0.42 0.19 -0.78 0.00 0.00 0.00 178.15 177.80 2q3r h ASP 191 N 0.04 0.41 -0.74 1.72 3.58 0.49 -2.17 116.42 119.75 2q3r h ASP 191 Ca 0.02 -0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.52 2q3r h ASP 191 Cb 0.77 -0.10 -0.06 0.00 1.72 0.00 0.00 39.33 41.65 2q3r h ASP 191 CO 0.05 0.34 0.41 1.56 -2.88 0.00 0.00 179.24 178.71 2q3r h GLN 192 N 0.48 0.70 -0.02 0.28 4.20 -1.03 -1.42 115.11 118.30 2q3r h GLN 192 Ca 0.12 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.68 2q3r h GLN 192 Cb 0.01 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 2q3r h GLN 192 CO -0.02 0.47 -0.51 0.74 -0.67 0.00 0.00 178.83 178.83 2q3r h PHE 193 N 0.72 0.07 -0.03 2.96 -1.00 -1.32 -3.26 116.94 115.09 2q3r h PHE 193 Ca 0.34 -0.02 -0.24 0.00 2.81 0.00 0.00 57.97 60.86 2q3r h PHE 193 Cb 0.27 -0.01 0.01 0.00 3.61 0.00 0.00 35.95 39.83 2q3r h PHE 193 CO -0.08 0.56 -0.94 0.52 -1.61 0.00 0.00 178.31 176.76 2q3r h MET 194 N 0.05 0.57 -6.19 1.51 2.86 -1.08 -3.43 114.93 109.22 2q3r h MET 194 Ca -0.00 -0.58 -0.57 0.00 -2.06 0.00 0.00 59.70 56.49 2q3r h MET 194 Cb 0.92 0.16 -0.04 0.00 0.06 0.00 0.00 31.60 32.69 2q3r h MET 194 CO 0.07 1.20 0.70 0.15 1.06 0.00 0.00 176.91 180.09 2q3r s LYS 195 N -3.38 4.34 0.42 1.72 -0.14 -0.62 -4.83 119.74 117.25 2q3r s LYS 195 Ca -0.08 1.44 0.09 0.00 -1.36 0.00 0.00 55.97 56.06 2q3r s LYS 195 Cb 0.08 -3.60 0.91 0.00 -1.68 0.00 0.00 37.83 33.54 2q3r s LYS 195 CO 0.89 -0.49 2.04 0.38 -0.76 0.00 0.00 175.35 177.42 2q3r h ASP 196 N 7.37 0.34 0.97 2.83 3.04 -1.82 0.70 116.42 129.85 2q3r h ASP 196 Ca -0.26 -0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.50 2q3r h ASP 196 Cb 1.11 -0.09 0.00 0.00 -1.04 0.00 0.00 39.33 39.32 2q3r h ASP 196 CO 0.92 0.30 0.00 0.71 -2.04 0.00 0.00 179.24 179.12 2q3r h THR 197 N 0.39 0.00 0.00 1.15 1.35 -1.93 -3.30 112.91 110.56 2q3r h THR 197 Ca 0.10 -0.33 -0.39 0.00 -0.55 0.00 0.00 66.41 65.23 2q3r h THR 197 Cb 0.05 1.16 -0.06 0.00 -1.73 0.00 0.00 68.15 67.57 2q3r h THR 197 CO -0.01 0.00 -2.36 0.52 -0.25 0.00 0.00 175.52 173.42 2q3r n VAL 198 N -2.34 1.34 -3.18 6.82 0.31 0.25 -4.92 118.33 116.62 2q3r n VAL 198 Ca 0.03 -0.40 -0.41 0.00 -0.01 0.00 0.00 64.34 63.55 2q3r n VAL 198 Cb 0.29 -1.67 -0.07 0.00 -0.91 0.00 0.00 33.84 31.48 2q3r n VAL 198 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2q3r s ASN 199 N -6.91 6.40 -0.20 4.52 2.47 0.22 -4.65 114.94 116.78 2q3r s ASN 199 Ca -0.33 0.18 0.12 0.00 0.42 0.00 0.00 52.86 53.25 2q3r s ASN 199 Cb 0.12 -2.30 0.41 0.00 -1.45 0.00 0.00 41.25 38.02 2q3r s ASN 199 CO 0.46 -0.49 1.22 -0.90 -3.72 0.00 0.00 177.10 173.68 2q3r n ASP 200 N 5.83 1.85 -4.77 -4.21 5.68 -1.26 -4.62 116.55 115.05 2q3r n ASP 200 Ca -0.03 -3.78 -0.33 0.00 -0.50 0.00 0.00 54.79 50.15 2q3r n ASP 200 Cb 0.49 -0.52 0.05 0.00 -1.14 0.00 0.00 41.12 40.00 2q3r n ASP 200 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2q3r s ARG 201 N -3.19 2.72 -0.27 0.11 0.52 -1.26 -4.85 118.95 112.73 2q3r s ARG 201 Ca 0.38 1.33 -0.04 0.00 -0.52 0.00 0.00 55.73 56.87 2q3r s ARG 201 Cb 0.36 -1.94 -0.15 0.00 0.52 0.00 0.00 34.95 33.73 2q3r s ARG 201 CO -0.05 -1.30 -0.28 0.25 0.02 0.00 0.00 175.30 173.94 2q3r n THR 202 N -2.63 1.50 -0.72 0.02 -2.24 -1.26 -2.00 114.28 106.94 2q3r n THR 202 Ca 0.10 -0.50 -0.33 0.00 -2.27 0.00 0.00 64.05 61.05 2q3r n THR 202 Cb 0.52 -1.59 0.15 0.00 -2.10 0.00 0.00 70.33 67.31 2q3r n THR 202 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2q3r n ASP 203 N -3.63 -2.40 0.04 3.42 3.85 -1.26 -4.64 116.55 111.92 2q3r n ASP 203 Ca -0.49 0.01 0.01 0.00 -0.71 0.00 0.00 54.79 53.61 2q3r n ASP 203 Cb 0.95 -1.00 0.08 0.00 -1.35 0.00 0.00 41.12 39.79 2q3r n ASP 203 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 2q3r n GLU 204 N -1.70 0.02 -0.06 0.11 0.28 -1.26 -0.85 120.64 117.18 2q3r n GLU 204 Ca 0.02 0.35 0.08 0.00 -0.16 0.00 0.00 57.16 57.45 2q3r n GLU 204 Cb 0.60 -1.80 0.36 0.00 1.43 0.00 0.00 31.44 32.03 2q3r n GLU 204 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2q3r n TYR 205 N -1.45 0.16 -3.84 -1.84 4.01 -1.26 -4.59 117.16 108.34 2q3r n TYR 205 Ca -0.00 -0.08 0.01 0.00 -0.16 0.00 0.00 57.90 57.67 2q3r n TYR 205 Cb 0.24 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.28 2q3r n TYR 205 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2q3r s GLY 206 N -1.43 -0.18 0.00 2.72 0.00 -0.03 -4.22 107.32 104.18 2q3r s GLY 206 Ca 0.26 0.19 0.00 0.00 0.00 0.00 0.00 44.72 45.17 2q3r s GLY 206 CO 0.20 3.01 0.00 0.61 0.00 0.00 0.00 173.10 176.92 2q3r n GLY 207 N -0.71 0.57 3.52 0.20 0.00 -0.85 -4.43 105.19 103.49 2q3r n GLY 207 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 2q3r n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2q3r s SER 208 N -2.93 -0.36 0.05 1.61 1.04 -1.26 -5.02 113.70 106.82 2q3r s SER 208 Ca 0.00 -0.03 -0.22 0.00 0.48 0.00 0.00 55.95 56.18 2q3r s SER 208 Cb 0.00 0.40 -0.11 0.00 0.10 0.00 0.00 66.02 66.41 2q3r s SER 208 CO 0.00 -0.66 1.34 0.25 0.98 0.00 0.00 173.24 175.15 2q3r h LEU 209 N 2.00 -0.79 -1.94 2.42 5.85 -1.96 0.19 115.31 121.08 2q3r h LEU 209 Ca -0.23 0.05 0.21 0.00 0.84 0.00 0.00 57.88 58.75 2q3r h LEU 209 Cb 1.24 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.49 2q3r h LEU 209 CO 0.31 -0.43 0.60 1.56 -0.34 0.00 0.00 178.44 180.14 2q3r h GLN 210 N -0.68 0.00 0.19 1.25 4.20 -1.99 0.03 115.11 118.12 2q3r h GLN 210 Ca -0.05 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.34 2q3r h GLN 210 Cb 0.56 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.36 2q3r h GLN 210 CO 0.02 0.00 -1.45 -0.91 -0.67 0.00 0.00 178.83 175.82 2q3r h ASN 211 N 0.00 0.63 0.23 1.46 4.21 -1.65 -3.29 115.58 117.17 2q3r h ASN 211 Ca 0.34 -0.72 -0.02 0.00 1.21 0.00 0.00 56.30 57.11 2q3r h ASN 211 Cb 1.54 -0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 38.53 2q3r h ASN 211 CO -0.00 1.57 -0.11 0.03 -1.29 0.00 0.00 177.43 177.63 2q3r h ARG 212 N 0.11 0.00 -0.04 0.81 3.08 0.14 -2.01 114.38 116.46 2q3r h ARG 212 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 2q3r h ARG 212 Cb 2.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.13 2q3r h ARG 212 CO 0.23 0.11 0.00 0.00 -1.07 0.00 0.00 179.97 179.24 2q3r h LYS 214 N 1.79 -0.26 0.07 0.00 1.63 -1.46 -1.40 116.57 116.95 2q3r h LYS 214 Ca 0.00 0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.84 2q3r h LYS 214 Cb 0.38 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.03 2q3r h LYS 214 CO 0.00 -0.17 -0.30 0.35 -3.45 0.00 0.00 179.45 175.87 2q3r h PHE 215 N -0.27 -0.83 -0.58 1.91 3.57 -1.79 0.55 116.94 119.51 2q3r h PHE 215 Ca 0.05 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2q3r h PHE 215 Cb 0.32 0.36 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 2q3r h PHE 215 CO -0.20 -0.40 0.31 -1.00 -2.23 0.00 0.00 178.31 174.79 2q3r h PRO 216 N -0.49 0.80 -0.32 6.41 0.13 -1.82 -2.15 132.00 134.57 2q3r h PRO 216 Ca 0.04 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 2q3r h PRO 216 Cb 0.55 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.50 2q3r h PRO 216 CO -0.21 0.62 0.07 -0.07 -0.23 0.00 0.00 178.00 178.17 2q3r h LEU 217 N 0.78 0.42 -0.95 1.56 3.38 -0.94 0.13 115.31 119.69 2q3r h LEU 217 Ca 0.20 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 2q3r h LEU 217 Cb 0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2q3r h LEU 217 CO -0.03 0.44 -0.21 -0.33 0.09 0.00 0.00 178.44 178.40 2q3r h GLU 218 N 0.46 0.52 -0.09 1.13 5.08 -0.48 -0.36 114.58 120.84 2q3r h GLU 218 Ca 0.11 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 2q3r h GLU 218 Cb 0.19 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2q3r h GLU 218 CO -0.00 0.70 -0.36 0.82 -1.00 0.00 0.00 179.01 179.17 2q3r h ILE 219 N 0.47 1.40 0.00 3.13 2.04 -0.61 -2.22 117.51 121.73 2q3r h ILE 219 Ca 0.07 -1.72 0.01 0.00 1.00 0.00 0.00 64.86 64.23 2q3r h ILE 219 Cb 0.62 2.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.93 2q3r h ILE 219 CO 0.04 0.50 -0.08 0.58 0.00 0.00 0.00 178.15 179.19 2q3r h VAL 220 N -0.06 0.79 -0.19 1.67 2.07 -0.90 -1.34 116.25 118.29 2q3r h VAL 220 Ca -0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 2q3r h VAL 220 Cb 1.00 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.48 2q3r h VAL 220 CO 0.07 0.00 -0.49 -0.78 0.02 0.00 0.00 177.57 176.40 2q3r h ASP 221 N -0.15 -1.55 -0.33 0.57 3.58 -1.04 0.95 116.42 118.45 2q3r h ASP 221 Ca 0.03 0.20 0.05 0.00 0.42 0.00 0.00 57.03 57.73 2q3r h ASP 221 Cb 0.19 0.63 -0.04 0.00 1.72 0.00 0.00 39.33 41.82 2q3r h ASP 221 CO -0.08 -0.45 0.07 0.00 -2.88 0.00 0.00 179.24 175.90 2q3r h ALA 222 N -0.03 0.34 -0.34 -0.78 0.00 -1.21 -1.54 119.26 115.71 2q3r h ALA 222 Ca 0.07 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2q3r h ALA 222 Cb 0.65 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2q3r h ALA 222 CO -0.46 -0.34 0.14 0.28 0.00 0.00 0.00 179.25 178.88 2q3r h VAL 223 N 0.18 1.18 -0.38 0.00 2.07 -0.95 -1.53 116.25 116.82 2q3r h VAL 223 Ca 0.15 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 2q3r h VAL 223 Cb 0.16 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2q3r h VAL 223 CO -0.20 0.19 0.16 0.00 0.02 0.00 0.00 177.57 177.75 2q3r h ALA 224 N 0.99 1.58 -0.15 1.67 0.00 -0.52 -0.79 119.26 122.04 2q3r h ALA 224 Ca 0.11 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 2q3r h ALA 224 Cb 0.16 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.80 2q3r h ALA 224 CO -0.01 0.34 -0.68 0.87 0.00 0.00 0.00 179.25 179.77 2q3r h LYS 225 N 0.53 0.72 0.76 0.00 1.57 -1.10 0.49 116.57 119.54 2q3r h LYS 225 Ca 0.13 -0.58 -0.03 0.00 -1.87 0.00 0.00 60.65 58.30 2q3r h LYS 225 Cb 0.09 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 2q3r h LYS 225 CO -0.02 1.19 -0.46 1.49 -0.57 0.00 0.00 179.45 181.08 2q3r h GLU 226 N 0.42 -1.10 -0.38 3.15 4.57 -0.61 -3.33 114.58 117.31 2q3r h GLU 226 Ca -0.04 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2q3r h GLU 226 Cb 1.31 0.25 0.00 0.00 -0.16 0.00 0.00 28.75 30.15 2q3r h GLU 226 CO 0.14 -0.73 0.00 0.44 -1.18 0.00 0.00 179.01 177.68 2q3r n ILE 227 N -5.37 0.77 0.00 2.32 -5.35 -0.37 -5.05 119.36 106.31 2q3r n ILE 227 Ca -0.14 -0.88 0.00 0.00 -0.27 0.00 0.00 62.75 61.46 2q3r n ILE 227 Cb 0.47 0.69 0.00 0.00 -1.74 0.00 0.00 39.64 39.06 2q3r n ILE 227 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2q3r n GLY 228 N 0.90 -1.12 0.23 3.28 0.00 0.17 -4.48 105.19 104.17 2q3r n GLY 228 Ca 0.14 -1.31 0.16 0.00 0.00 0.00 0.00 46.02 45.01 2q3r n GLY 228 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2q3r h PRO 229 N 0.00 0.00 0.00 1.61 0.13 -1.80 -2.78 132.00 129.16 2q3r h PRO 229 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2q3r h PRO 229 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2q3r h PRO 229 CO 0.00 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.37 2q3r n ASP 230 N -2.69 0.00 -0.40 1.44 3.85 -1.26 0.30 116.55 117.79 2q3r n ASP 230 Ca -0.00 0.41 0.08 0.00 -0.71 0.00 0.00 54.79 54.56 2q3r n ASP 230 Cb 0.17 -0.46 0.18 0.00 -1.35 0.00 0.00 41.12 39.65 2q3r n ASP 230 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2q3r n ARG 231 N -1.46 1.43 -5.24 0.11 1.74 -1.05 -4.67 116.66 107.52 2q3r n ARG 231 Ca 0.06 -2.98 -0.31 0.00 -0.77 0.00 0.00 57.85 53.85 2q3r n ARG 231 Cb 0.25 -1.54 -0.17 0.00 -1.02 0.00 0.00 32.46 29.98 2q3r n ARG 231 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2q3r s VAL 232 N -3.03 2.03 0.11 1.55 1.01 -1.11 -1.19 120.40 119.76 2q3r s VAL 232 Ca 0.35 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 61.34 2q3r s VAL 232 Cb 0.33 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 2q3r s VAL 232 CO -0.03 0.56 -0.12 -0.83 0.00 0.00 0.00 175.10 174.68 2q3r s GLY 233 N -0.08 0.95 -0.03 4.51 0.00 0.02 -0.97 107.32 111.73 2q3r s GLY 233 Ca -0.06 -1.23 0.02 0.00 0.00 0.00 0.00 44.72 43.45 2q3r s GLY 233 CO 0.04 -1.30 -0.09 -1.50 0.00 0.00 0.00 173.10 170.25 2q3r s ILE 234 N -2.28 0.81 -0.13 0.90 2.07 -0.90 -0.90 121.20 120.76 2q3r s ILE 234 Ca 0.07 -0.37 -0.02 0.00 -1.41 0.00 0.00 60.65 58.92 2q3r s ILE 234 Cb -0.04 -0.72 -0.03 0.00 0.13 0.00 0.00 42.46 41.80 2q3r s ILE 234 CO 0.01 0.25 -0.05 -0.60 -1.91 0.00 0.00 174.94 172.65 2q3r s ARG 235 N 0.23 3.46 0.10 3.50 3.52 -0.94 0.29 118.95 129.10 2q3r s ARG 235 Ca -0.04 -0.54 0.04 0.00 -0.13 0.00 0.00 55.73 55.06 2q3r s ARG 235 Cb -0.09 -2.82 -0.04 0.00 -1.56 0.00 0.00 34.95 30.44 2q3r s ARG 235 CO 0.01 0.34 -0.10 -0.51 -0.81 0.00 0.00 175.30 174.22 2q3r s LEU 236 N 0.10 2.40 -0.41 -0.88 1.43 0.12 -2.42 118.68 119.02 2q3r s LEU 236 Ca -0.01 -0.81 0.07 0.00 -1.03 0.00 0.00 54.13 52.35 2q3r s LEU 236 Cb -0.14 -0.31 0.24 0.00 0.03 0.00 0.00 46.19 46.02 2q3r s LEU 236 CO 0.03 -0.26 0.58 -1.54 0.23 0.00 0.00 176.35 175.39 2q3r n SER 237 N 0.56 -0.51 0.32 2.29 3.41 -1.26 -1.83 113.62 116.59 2q3r n SER 237 Ca -0.16 -2.78 0.21 0.00 -0.26 0.00 0.00 58.87 55.87 2q3r n SER 237 Cb 0.58 -0.13 1.03 0.00 -0.26 0.00 0.00 64.21 65.42 2q3r n SER 237 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2q3r h PRO 238 N 4.14 0.00 0.00 4.33 0.13 -1.91 -2.87 132.00 135.81 2q3r h PRO 238 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2q3r h PRO 238 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2q3r h PRO 238 CO 0.42 0.00 -1.21 1.19 -0.23 0.00 0.00 178.00 178.18 2q3r n PHE 239 N -3.11 0.11 -2.43 1.56 3.01 -1.26 -4.56 117.46 110.78 2q3r n PHE 239 Ca -0.02 0.03 -0.27 0.00 1.01 0.00 0.00 57.45 58.20 2q3r n PHE 239 Cb 0.15 -0.30 0.02 0.00 -0.01 0.00 0.00 39.48 39.34 2q3r n PHE 239 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2q3r s ALA 240 N -3.19 3.31 -0.05 4.37 0.00 -1.09 -4.84 121.76 120.27 2q3r s ALA 240 Ca 0.03 -0.55 0.13 0.00 0.00 0.00 0.00 51.96 51.56 2q3r s ALA 240 Cb 0.15 -2.65 0.24 0.00 0.00 0.00 0.00 23.12 20.86 2q3r s ALA 240 CO 0.84 -0.62 1.11 -0.40 0.00 0.00 0.00 175.76 176.69 2q3r n ASP 241 N -2.48 0.96 -4.60 0.00 5.68 -1.26 -4.10 116.55 110.75 2q3r n ASP 241 Ca 0.03 -2.46 -0.51 0.00 -0.50 0.00 0.00 54.79 51.35 2q3r n ASP 241 Cb 0.56 -0.32 -0.06 0.00 -1.14 0.00 0.00 41.12 40.17 2q3r n ASP 241 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2q3r n TYR 242 N -0.25 1.56 -3.43 2.11 9.36 -1.26 -1.00 117.16 124.25 2q3r n TYR 242 Ca 0.07 0.61 -0.20 0.00 3.32 0.00 0.00 57.90 61.70 2q3r n TYR 242 Cb 0.83 -2.35 0.06 0.00 -0.63 0.00 0.00 39.34 37.25 2q3r n TYR 242 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 2q3r n MET 243 N 2.52 -2.88 -4.05 2.98 2.81 -1.26 -3.18 117.12 114.06 2q3r n MET 243 Ca 0.18 0.74 -0.38 0.00 -1.81 0.00 0.00 57.70 56.43 2q3r n MET 243 Cb 0.20 -5.37 -0.00 0.00 -0.71 0.00 0.00 33.22 27.34 2q3r n MET 243 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2q3r n GLU 244 N -3.69 -0.43 -0.59 0.03 1.02 -0.17 -4.86 120.64 111.95 2q3r n GLU 244 Ca -0.13 -0.01 0.02 0.00 -0.02 0.00 0.00 57.16 57.02 2q3r n GLU 244 Cb 0.63 -2.15 0.21 0.00 -0.02 0.00 0.00 31.44 30.10 2q3r n GLU 244 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2q3r n SER 245 N -1.82 2.74 -4.76 1.62 3.41 -0.73 -4.79 113.62 109.29 2q3r n SER 245 Ca -0.13 -3.50 -0.35 0.00 -0.26 0.00 0.00 58.87 54.63 2q3r n SER 245 Cb 0.50 -0.57 0.03 0.00 -0.26 0.00 0.00 64.21 63.90 2q3r n SER 245 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2q3r s GLY 246 N -2.50 2.55 0.04 5.00 0.00 -1.26 -4.54 107.32 106.62 2q3r s GLY 246 Ca 0.42 0.83 0.04 0.00 0.00 0.00 0.00 44.72 46.01 2q3r s GLY 246 CO 0.02 1.21 -0.02 -0.35 0.00 0.00 0.00 173.10 173.96 2q3r s ASP 247 N -1.89 4.95 0.54 1.64 -1.08 -1.26 -3.72 116.67 115.85 2q3r s ASP 247 Ca 0.73 -0.13 0.32 0.00 -0.52 0.00 0.00 52.55 52.96 2q3r s ASP 247 Cb -0.26 -1.20 1.41 0.00 -1.46 0.00 0.00 42.92 41.41 2q3r s ASP 247 CO 0.33 0.23 2.01 0.71 0.52 0.00 0.00 175.17 178.97 2q3r h THR 248 N 3.26 0.16 -1.37 1.71 1.35 -1.96 -3.33 112.91 112.73 2q3r h THR 248 Ca -0.48 -0.57 -0.40 0.00 -0.55 0.00 0.00 66.41 64.41 2q3r h THR 248 Cb 1.17 1.49 -0.28 0.00 -1.73 0.00 0.00 68.15 68.80 2q3r h THR 248 CO 0.58 0.05 -0.80 -3.20 -0.25 0.00 0.00 175.52 171.90 2q3r n ASN 249 N -3.20 -1.47 -0.11 5.36 2.85 -1.26 -5.01 115.26 112.41 2q3r n ASN 249 Ca -0.00 -2.82 -0.11 0.00 -0.11 0.00 0.00 54.58 51.54 2q3r n ASN 249 Cb 0.30 0.48 -0.03 0.00 1.24 0.00 0.00 39.78 41.77 2q3r n ASN 249 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2q3r h PRO 250 N 4.56 0.62 -0.92 1.20 0.13 -1.80 -2.46 132.00 133.33 2q3r h PRO 250 Ca 0.06 -0.22 0.19 0.00 -0.87 0.00 0.00 66.00 65.16 2q3r h PRO 250 Cb 0.97 -0.04 -0.11 0.00 0.13 0.00 0.00 31.00 31.94 2q3r h PRO 250 CO 0.32 0.77 0.47 0.78 -0.23 0.00 0.00 178.00 180.11 2q3r h GLY 251 N 0.41 1.58 1.54 1.56 0.00 -1.95 0.40 103.07 106.61 2q3r h GLY 251 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2q3r h GLY 251 CO 0.03 -0.15 -0.31 0.00 0.00 0.00 0.00 176.54 176.10 2q3r n ALA 252 N -2.42 2.71 0.04 3.60 0.00 -1.22 -3.74 120.51 119.49 2q3r n ALA 252 Ca 0.21 -0.17 -0.20 0.00 0.00 0.00 0.00 53.44 53.29 2q3r n ALA 252 Cb 0.58 -1.31 -0.12 0.00 0.00 0.00 0.00 19.45 18.61 2q3r n ALA 252 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2q3r h LEU 253 N 0.00 0.69 0.00 0.00 5.85 0.26 -3.06 115.31 119.05 2q3r h LEU 253 Ca 0.00 -0.81 0.00 0.00 0.84 0.00 0.00 57.88 57.91 2q3r h LEU 253 Cb 0.67 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2q3r h LEU 253 CO 0.00 1.42 0.00 0.61 -0.34 0.00 0.00 178.44 180.13 2q3r n GLY 254 N 1.26 -0.95 0.08 3.75 0.00 -0.72 -3.05 105.19 105.57 2q3r n GLY 254 Ca -0.12 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 2q3r n GLY 254 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2q3r h LEU 255 N 0.00 0.00 -0.98 0.99 5.85 -1.66 -3.20 115.31 116.31 2q3r h LEU 255 Ca 0.00 -0.40 0.11 0.00 0.84 0.00 0.00 57.88 58.43 2q3r h LEU 255 Cb 0.22 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.17 2q3r h LEU 255 CO 0.00 1.10 0.61 0.22 -0.34 0.00 0.00 178.44 180.03 2q3r h TYR 256 N -1.00 1.10 -0.24 1.25 3.20 -1.48 -1.21 116.97 118.60 2q3r h TYR 256 Ca -0.16 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.71 2q3r h TYR 256 Cb 0.89 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 2q3r h TYR 256 CO 0.03 0.45 -0.00 0.52 -1.64 0.00 0.00 178.16 177.52 2q3r h MET 257 N 0.98 0.43 0.13 1.82 2.86 -1.72 0.64 114.93 120.07 2q3r h MET 257 Ca 0.48 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.98 2q3r h MET 257 Cb 0.45 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 2q3r h MET 257 CO -0.26 0.61 -0.08 0.00 1.06 0.00 0.00 176.91 178.24 2q3r h ALA 258 N 0.80 -0.19 -0.06 6.32 0.00 -1.43 0.64 119.26 125.34 2q3r h ALA 258 Ca 0.07 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2q3r h ALA 258 Cb 0.42 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2q3r h ALA 258 CO 0.01 -0.61 -0.10 0.93 0.00 0.00 0.00 179.25 179.48 2q3r h GLU 259 N -0.20 -0.14 -0.93 0.00 5.08 -1.23 -2.59 114.58 114.58 2q3r h GLU 259 Ca -0.01 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2q3r h GLU 259 Cb 0.17 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 2q3r h GLU 259 CO 0.01 -0.09 0.60 0.77 -1.00 0.00 0.00 179.01 179.30 2q3r h SER 260 N -0.14 0.93 0.00 1.42 0.02 -0.60 -1.34 113.55 113.83 2q3r h SER 260 Ca 0.06 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2q3r h SER 260 Cb 0.23 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2q3r h SER 260 CO -0.15 0.59 0.00 0.18 -1.14 0.00 0.00 176.83 176.32 2q3r n LEU 261 N -4.49 0.09 -0.03 5.07 4.77 0.20 -3.25 117.00 119.35 2q3r n LEU 261 Ca 0.14 -0.05 -0.20 0.00 -0.03 0.00 0.00 56.01 55.87 2q3r n LEU 261 Cb 0.20 -0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.12 2q3r n LEU 261 CO 0.32 0.02 -0.34 0.78 -1.33 0.00 0.00 177.39 176.85 2q3r h ASN 262 N 0.05 0.22 -1.17 -1.43 2.35 -1.24 -3.22 115.58 111.15 2q3r h ASN 262 Ca 0.00 -0.78 0.37 0.00 -0.55 0.00 0.00 56.30 55.34 2q3r h ASN 262 Cb 0.05 -0.07 -0.13 0.00 0.05 0.00 0.00 38.32 38.21 2q3r h ASN 262 CO 0.00 1.50 0.73 0.50 -1.65 0.00 0.00 177.43 178.51 2q3r h LYS 263 N -0.58 0.20 0.00 0.81 3.64 -1.73 0.62 116.57 119.52 2q3r h LYS 263 Ca -0.28 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 58.96 2q3r h LYS 263 Cb 1.53 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.29 2q3r h LYS 263 CO -0.02 0.13 -0.75 1.88 -2.27 0.00 0.00 179.45 178.42 2q3r h TYR 264 N 0.20 0.00 -5.99 1.91 -1.99 -1.78 -3.48 116.97 105.84 2q3r h TYR 264 Ca 0.75 0.00 -0.40 0.00 2.00 0.00 0.00 58.73 61.08 2q3r h TYR 264 Cb 2.12 0.00 0.08 0.00 2.00 0.00 0.00 36.73 40.93 2q3r h TYR 264 CO -0.01 0.57 -0.80 0.41 -0.00 0.00 0.00 178.16 178.33 2q3r n GLY 265 N 1.27 -0.34 3.83 3.88 0.00 0.22 -4.79 105.19 109.27 2q3r n GLY 265 Ca -0.01 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2q3r n GLY 265 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2q3r s ILE 266 N -3.54 1.97 0.09 -0.61 -4.36 -1.26 -4.50 121.20 108.99 2q3r s ILE 266 Ca 0.10 0.00 -0.20 0.00 -0.26 0.00 0.00 60.65 60.29 2q3r s ILE 266 Cb -0.05 -2.85 -0.08 0.00 1.25 0.00 0.00 42.46 40.72 2q3r s ILE 266 CO 0.79 0.00 1.63 0.25 0.24 0.00 0.00 174.94 177.85 2q3r h LEU 267 N -1.47 0.29 -7.66 0.37 5.85 0.17 -3.47 115.31 109.39 2q3r h LEU 267 Ca -0.48 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.03 2q3r h LEU 267 Cb 1.31 -0.08 -0.11 0.00 0.37 0.00 0.00 40.66 42.15 2q3r h LEU 267 CO 0.57 0.38 -0.06 -0.72 -0.34 0.00 0.00 178.44 178.27 2q3r s TYR 268 N -5.51 -0.06 -0.15 1.25 -0.85 -0.88 -3.47 117.35 107.67 2q3r s TYR 268 Ca -0.14 -0.28 0.01 0.00 -0.52 0.00 0.00 57.07 56.14 2q3r s TYR 268 Cb 0.07 0.28 0.02 0.00 0.38 0.00 0.00 41.96 42.71 2q3r s TYR 268 CO 0.71 -0.82 -0.16 0.00 -1.52 0.00 0.00 175.55 173.76 2q3r s HIS 270 N 1.36 2.96 0.03 0.00 5.04 0.14 -1.19 115.29 123.64 2q3r s HIS 270 Ca 0.03 -0.93 0.05 0.00 -1.54 0.00 0.00 55.06 52.67 2q3r s HIS 270 Cb -0.13 -2.10 -0.02 0.00 0.04 0.00 0.00 32.58 30.37 2q3r s HIS 270 CO -0.10 -0.54 -0.14 0.08 -2.34 0.00 0.00 174.74 171.70 2q3r s VAL 271 N 1.45 1.10 -0.16 0.89 1.01 0.29 0.16 120.40 125.13 2q3r s VAL 271 Ca 0.05 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 60.99 2q3r s VAL 271 Cb -0.14 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 2q3r s VAL 271 CO -0.03 0.06 0.25 -0.63 0.00 0.00 0.00 175.10 174.74 2q3r s ILE 272 N -0.75 5.33 0.68 2.22 1.01 -0.76 0.51 121.20 129.44 2q3r s ILE 272 Ca 0.02 0.45 -0.16 0.00 0.00 0.00 0.00 60.65 60.97 2q3r s ILE 272 Cb -0.07 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.83 2q3r s ILE 272 CO 0.01 0.42 1.17 -0.70 0.00 0.00 0.00 174.94 175.83 2q3r s GLU 273 N 0.34 2.51 0.00 2.79 2.56 0.26 -4.70 118.70 122.46 2q3r s GLU 273 Ca 0.14 1.63 0.00 0.00 0.00 0.00 0.00 54.97 56.74 2q3r s GLU 273 Cb -0.13 -1.89 0.00 0.00 2.00 0.00 0.00 34.13 34.11 2q3r s GLU 273 CO 0.03 -1.52 0.00 0.00 -0.56 0.00 0.00 175.26 173.20 2q3r n ALA 274 N -2.44 0.00 -1.00 6.30 0.00 -1.26 -4.80 120.51 117.31 2q3r n ALA 274 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 2q3r n ALA 274 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 2q3r n ALA 274 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2q3r n ARG 275 N 0.00 2.74 0.00 0.00 1.74 -1.26 -5.07 116.66 114.81 2q3r n ARG 275 Ca 0.00 -1.79 0.00 0.00 -0.77 0.00 0.00 57.85 55.29 2q3r n ARG 275 Cb 0.00 -2.62 0.00 0.00 -1.02 0.00 0.00 32.46 28.82 2q3r n ARG 275 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2q3r n MET 276 N 4.07 0.00 -0.47 5.56 0.00 -1.26 -5.27 117.12 119.75 2q3r n MET 276 Ca 0.59 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 58.04 2q3r n MET 276 Cb 0.18 0.00 0.20 0.00 0.00 0.00 0.00 33.22 33.60 2q3r n MET 276 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 2q3r n HIS 287 N 0.00 -2.49 0.00 3.17 8.25 -1.26 -5.02 115.22 117.87 2q3r n HIS 287 Ca 0.00 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 2q3r n HIS 287 Cb 0.00 -1.43 0.00 0.00 1.12 0.00 0.00 29.99 29.68 2q3r n HIS 287 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2q3r n THR 288 N -4.84 0.00 0.07 1.59 5.66 -1.26 -5.03 114.28 110.47 2q3r n THR 288 Ca 0.07 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.93 2q3r n THR 288 Cb 0.48 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.12 2q3r n THR 288 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 2q3r h LEU 289 N 0.00 0.28 -0.54 1.09 4.07 -1.97 -3.39 115.31 114.85 2q3r h LEU 289 Ca 0.00 -0.35 0.11 0.00 0.08 0.00 0.00 57.88 57.72 2q3r h LEU 289 Cb 0.00 -0.09 -0.10 0.00 1.08 0.00 0.00 40.66 41.55 2q3r h LEU 289 CO 0.00 1.28 -0.12 0.24 -1.08 0.00 0.00 178.44 178.76 2q3r h MET 290 N 0.05 0.01 -0.43 1.13 2.86 -1.96 0.13 114.93 116.73 2q3r h MET 290 Ca -0.16 -0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.56 2q3r h MET 290 Cb 1.95 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.58 2q3r h MET 290 CO 0.16 0.01 0.29 -1.35 1.06 0.00 0.00 176.91 177.08 2q3r h PRO 291 N 0.01 0.21 0.02 -0.22 0.11 -1.98 0.68 132.00 130.84 2q3r h PRO 291 Ca 0.26 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.36 2q3r h PRO 291 Cb 0.40 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.47 2q3r h PRO 291 CO -0.55 0.14 -0.01 0.52 -0.21 0.00 0.00 178.00 177.89 2q3r h MET 292 N 0.22 -0.03 -0.59 1.05 2.86 -1.00 -0.01 114.93 117.43 2q3r h MET 292 Ca 0.20 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.89 2q3r h MET 292 Cb 0.49 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 2q3r h MET 292 CO -0.03 0.42 0.39 -0.09 1.06 0.00 0.00 176.91 178.66 2q3r h ARG 293 N -0.49 0.57 0.48 1.72 9.65 -0.68 -2.14 114.38 123.48 2q3r h ARG 293 Ca -0.00 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.82 2q3r h ARG 293 Cb 0.47 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.92 2q3r h ARG 293 CO 0.01 0.37 -0.23 0.87 2.80 0.00 0.00 179.97 183.79 2q3r h LYS 294 N 0.58 -0.62 0.00 0.20 1.57 -0.57 -3.35 116.57 114.39 2q3r h LYS 294 Ca 0.25 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.09 2q3r h LYS 294 Cb 0.25 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 2q3r h LYS 294 CO -0.07 -0.41 -0.37 0.00 -0.57 0.00 0.00 179.45 178.03 2q3r h ALA 295 N -1.68 -0.81 -2.64 3.86 0.00 -0.62 -3.42 119.26 113.95 2q3r h ALA 295 Ca -0.07 -0.06 -0.53 0.00 0.00 0.00 0.00 54.91 54.26 2q3r h ALA 295 Cb 0.49 0.81 0.04 0.00 0.00 0.00 0.00 17.79 19.13 2q3r h ALA 295 CO 0.11 -0.92 0.78 0.12 0.00 0.00 0.00 179.25 179.33 2q3r s PHE 296 N -4.87 3.12 -0.67 0.00 5.36 -0.84 -4.62 117.98 115.46 2q3r s PHE 296 Ca -0.11 0.89 -0.16 0.00 -0.96 0.00 0.00 56.93 56.59 2q3r s PHE 296 Cb 0.04 -3.80 0.15 0.00 -0.34 0.00 0.00 43.02 39.08 2q3r s PHE 296 CO 0.42 -2.76 0.67 0.15 -1.46 0.00 0.00 175.22 172.24 2q3r s LYS 297 N 0.57 3.24 0.00 10.12 -0.14 -1.26 -4.81 119.74 127.45 2q3r s LYS 297 Ca 0.64 -1.88 0.00 0.00 -1.36 0.00 0.00 55.97 53.37 2q3r s LYS 297 Cb -0.41 -4.38 0.00 0.00 -1.68 0.00 0.00 37.83 31.37 2q3r s LYS 297 CO 0.35 -1.39 0.00 0.41 -0.76 0.00 0.00 175.35 173.96 2q3r n GLY 298 N 4.86 -2.29 3.56 -3.33 0.00 -1.26 -4.95 105.19 101.77 2q3r n GLY 298 Ca -0.01 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 2q3r n GLY 298 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2q3r n THR 299 N 2.36 2.45 -4.69 2.61 -1.04 -1.23 -4.90 114.28 109.84 2q3r n THR 299 Ca 0.00 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.05 61.27 2q3r n THR 299 Cb 0.00 -0.95 -0.16 0.00 -1.82 0.00 0.00 70.33 67.40 2q3r n THR 299 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2q3r s PHE 300 N -1.40 1.45 -0.21 -1.42 5.36 -1.26 -3.03 117.98 117.46 2q3r s PHE 300 Ca 0.66 -0.38 0.01 0.00 -0.96 0.00 0.00 56.93 56.25 2q3r s PHE 300 Cb -0.54 -0.98 0.05 0.00 -0.34 0.00 0.00 43.02 41.21 2q3r s PHE 300 CO 0.55 -0.12 -0.09 0.42 -1.46 0.00 0.00 175.22 174.52 2q3r s ILE 301 N 0.02 1.63 0.02 3.12 1.01 -0.33 0.57 121.20 127.24 2q3r s ILE 301 Ca -0.02 -1.08 -0.00 0.00 0.00 0.00 0.00 60.65 59.55 2q3r s ILE 301 Cb -0.10 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 2q3r s ILE 301 CO 0.01 0.10 0.14 -0.44 0.00 0.00 0.00 174.94 174.75 2q3r s SER 302 N 1.39 6.02 0.06 3.58 0.01 -0.30 0.10 113.70 124.57 2q3r s SER 302 Ca -0.03 0.21 -0.07 0.00 1.31 0.00 0.00 55.95 57.37 2q3r s SER 302 Cb -0.17 -1.79 -0.01 0.00 0.21 0.00 0.00 66.02 64.26 2q3r s SER 302 CO -0.08 0.23 0.15 0.00 0.41 0.00 0.00 173.24 173.95 2q3r s ALA 303 N -1.34 -0.14 0.00 1.44 0.00 0.18 -2.58 121.76 119.32 2q3r s ALA 303 Ca 0.28 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.64 2q3r s ALA 303 Cb -0.12 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.37 2q3r s ALA 303 CO 0.20 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2q3r n GLY 304 N 0.28 1.84 2.75 0.00 0.00 -1.26 0.90 105.19 109.69 2q3r n GLY 304 Ca -0.16 -0.49 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 2q3r n GLY 304 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q3r n GLY 305 N 0.00 -0.50 3.78 -0.02 0.00 -1.26 -4.82 105.19 102.37 2q3r n GLY 305 Ca 0.00 0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2q3r n GLY 305 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2q3r s PHE 306 N -2.86 2.98 0.42 1.61 0.40 -1.26 -5.05 117.98 114.21 2q3r s PHE 306 Ca 0.14 1.57 0.07 0.00 -0.60 0.00 0.00 56.93 58.12 2q3r s PHE 306 Cb -0.07 -3.24 -0.04 0.00 0.51 0.00 0.00 43.02 40.18 2q3r s PHE 306 CO 0.18 -1.15 0.28 0.95 0.70 0.00 0.00 175.22 176.17 2q3r s THR 307 N -1.68 2.47 0.10 0.64 -4.23 -1.26 -4.97 115.64 106.71 2q3r s THR 307 Ca 0.64 -1.52 -0.30 0.00 -1.18 0.00 0.00 61.69 59.32 2q3r s THR 307 Cb -0.24 -2.99 -0.12 0.00 1.34 0.00 0.00 72.50 70.48 2q3r s THR 307 CO 0.29 0.00 1.62 -0.09 -0.54 0.00 0.00 174.62 175.90 2q3r h ARG 308 N 1.23 -0.65 -0.37 3.99 2.43 -1.99 -0.92 114.38 118.10 2q3r h ARG 308 Ca -0.42 0.04 0.06 0.00 -0.81 0.00 0.00 59.98 58.86 2q3r h ARG 308 Cb 1.26 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.90 2q3r h ARG 308 CO 0.64 -0.43 0.04 0.93 -1.51 0.00 0.00 179.97 179.63 2q3r h GLU 309 N -0.67 0.15 -0.78 0.20 3.07 -1.99 0.04 114.58 114.59 2q3r h GLU 309 Ca -0.01 -0.01 0.12 0.00 -0.50 0.00 0.00 59.36 58.95 2q3r h GLU 309 Cb 0.62 -0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 28.41 2q3r h GLU 309 CO -0.07 0.10 0.40 -0.44 -1.40 0.00 0.00 179.01 177.59 2q3r h ASP 310 N 0.15 0.50 0.26 1.42 3.32 -1.90 0.07 116.42 120.24 2q3r h ASP 310 Ca 0.18 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 2q3r h ASP 310 Cb 0.23 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2q3r h ASP 310 CO -0.27 0.25 -0.13 1.23 -1.72 0.00 0.00 179.24 178.61 2q3r h GLY 311 N 0.62 -0.37 0.16 2.75 0.00 -0.09 -1.00 103.07 105.15 2q3r h GLY 311 Ca 0.40 0.14 0.17 0.00 0.00 0.00 0.00 47.33 48.04 2q3r h GLY 311 CO -0.31 -0.13 0.52 3.43 0.00 0.00 0.00 176.54 180.05 2q3r h ASN 312 N -0.62 0.65 0.52 0.19 2.35 -0.70 -0.90 115.58 117.09 2q3r h ASN 312 Ca -0.04 0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 2q3r h ASN 312 Cb 0.44 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.80 2q3r h ASN 312 CO 0.06 0.25 -0.25 -0.08 -1.65 0.00 0.00 177.43 175.75 2q3r h GLU 313 N 0.69 -0.68 -0.66 0.81 4.57 -0.79 0.30 114.58 118.84 2q3r h GLU 313 Ca 0.53 0.05 0.09 0.00 -1.18 0.00 0.00 59.36 58.84 2q3r h GLU 313 Cb 0.79 0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 29.46 2q3r h GLU 313 CO -0.38 -0.42 0.29 0.00 -1.18 0.00 0.00 179.01 177.32 2q3r h ALA 314 N -0.31 0.88 0.15 2.92 0.00 -0.75 -1.55 119.26 120.59 2q3r h ALA 314 Ca -0.07 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2q3r h ALA 314 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2q3r h ALA 314 CO 0.12 -0.12 -0.07 0.28 0.00 0.00 0.00 179.25 179.46 2q3r h VAL 315 N 0.50 1.00 0.00 0.00 2.07 -1.05 0.23 116.25 119.00 2q3r h VAL 315 Ca 0.33 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2q3r h VAL 315 Cb 0.37 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2q3r h VAL 315 CO -0.28 0.21 0.00 -1.54 0.02 0.00 0.00 177.57 175.98 2q3r n SER 316 N -4.97 0.38 -0.33 0.57 3.41 0.10 -1.59 113.62 111.20 2q3r n SER 316 Ca -0.09 0.66 0.03 0.00 -0.26 0.00 0.00 58.87 59.21 2q3r n SER 316 Cb 0.26 -0.71 0.08 0.00 -0.26 0.00 0.00 64.21 63.57 2q3r n SER 316 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2q3r n LYS 317 N -1.99 2.91 -1.14 4.33 4.76 -0.60 -5.00 118.16 121.43 2q3r n LYS 317 Ca -0.00 -1.78 -0.05 0.00 -2.87 0.00 0.00 58.31 53.61 2q3r n LYS 317 Cb 0.06 -1.14 -0.02 0.00 -1.84 0.00 0.00 35.03 32.09 2q3r n LYS 317 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2q3r n GLY 318 N 0.03 0.67 0.09 0.72 0.00 -0.62 -4.88 105.19 101.20 2q3r n GLY 318 Ca 0.06 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.96 2q3r n GLY 318 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q3r n ARG 319 N -1.68 0.15 -3.52 1.61 5.12 0.77 -4.82 116.66 114.29 2q3r n ARG 319 Ca -0.05 0.32 -0.08 0.00 -1.93 0.00 0.00 57.85 56.11 2q3r n ARG 319 Cb 0.30 -1.76 -0.02 0.00 -1.16 0.00 0.00 32.46 29.83 2q3r n ARG 319 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2q3r s THR 320 N -3.19 0.00 -0.26 0.55 -1.32 -1.17 -4.89 115.64 105.36 2q3r s THR 320 Ca 0.07 -0.01 -0.06 0.00 -1.21 0.00 0.00 61.69 60.48 2q3r s THR 320 Cb 0.11 -1.02 -0.16 0.00 -1.51 0.00 0.00 72.50 69.92 2q3r s THR 320 CO 0.41 0.00 -0.23 0.47 -2.21 0.00 0.00 174.62 173.06 2q3r n ASP 321 N -0.22 1.98 -4.20 8.08 8.00 -0.78 -4.19 116.55 125.21 2q3r n ASP 321 Ca -0.07 0.09 -0.22 0.00 0.71 0.00 0.00 54.79 55.30 2q3r n ASP 321 Cb 0.61 -0.62 -0.13 0.00 -0.02 0.00 0.00 41.12 40.96 2q3r n ASP 321 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2q3r s LEU 322 N -6.99 2.20 -0.20 0.64 1.43 0.19 -4.81 118.68 111.14 2q3r s LEU 322 Ca -0.36 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.21 2q3r s LEU 322 Cb 0.11 -0.75 0.05 0.00 0.03 0.00 0.00 46.19 45.63 2q3r s LEU 322 CO 0.56 0.07 -0.06 -0.69 0.23 0.00 0.00 176.35 176.46 2q3r s VAL 323 N -0.93 1.34 0.06 -1.59 1.01 -0.70 -1.15 120.40 118.44 2q3r s VAL 323 Ca 0.04 -0.91 -0.25 0.00 0.00 0.00 0.00 61.98 60.86 2q3r s VAL 323 Cb -0.09 -1.54 -0.06 0.00 0.00 0.00 0.00 36.38 34.69 2q3r s VAL 323 CO 0.02 0.05 0.75 0.00 0.00 0.00 0.00 175.10 175.92 2q3r s ALA 324 N 1.51 3.39 -0.14 5.51 0.00 -1.07 -2.56 121.76 128.41 2q3r s ALA 324 Ca -0.02 0.27 -0.00 0.00 0.00 0.00 0.00 51.96 52.21 2q3r s ALA 324 Cb -0.17 -2.97 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 2q3r s ALA 324 CO -0.07 0.10 -0.13 0.71 0.00 0.00 0.00 175.76 176.36 2q3r s TYR 325 N -0.20 2.81 0.00 0.00 2.02 -0.98 -4.47 117.35 116.54 2q3r s TYR 325 Ca 0.38 -0.73 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 2q3r s TYR 325 Cb -0.21 -1.86 0.00 0.00 -0.40 0.00 0.00 41.96 39.49 2q3r s TYR 325 CO 0.23 -0.27 0.00 0.41 -1.57 0.00 0.00 175.55 174.35 2q3r n GLY 326 N 3.66 -0.37 0.25 0.71 0.00 -1.26 -2.62 105.19 105.57 2q3r n GLY 326 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 2q3r n GLY 326 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2q3r h ARG 327 N 0.00 -0.42 -1.16 1.61 3.08 -1.98 0.53 114.38 116.05 2q3r h ARG 327 Ca 0.00 0.03 0.33 0.00 0.07 0.00 0.00 59.98 60.41 2q3r h ARG 327 Cb 0.00 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.07 2q3r h ARG 327 CO 0.00 -0.28 0.79 -1.49 -1.07 0.00 0.00 179.97 177.92 2q3r h TRP 328 N -0.43 0.34 0.05 3.04 -0.00 -1.94 1.17 115.95 118.18 2q3r h TRP 328 Ca -0.01 0.01 -0.25 0.00 -0.00 0.00 0.00 58.89 58.64 2q3r h TRP 328 Cb 0.41 -0.10 0.01 0.00 -0.00 0.00 0.00 29.16 29.48 2q3r h TRP 328 CO -0.31 0.00 -1.06 0.35 -0.00 0.00 0.00 178.44 177.42 2q3r h PHE 329 N 0.18 0.65 -0.36 0.49 3.04 -1.49 0.45 116.94 119.89 2q3r h PHE 329 Ca 0.62 -0.39 0.03 0.00 3.98 0.00 0.00 57.97 62.21 2q3r h PHE 329 Cb 2.02 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 40.43 2q3r h PHE 329 CO -0.00 1.23 0.15 1.25 -2.02 0.00 0.00 178.31 178.92 2q3r h LEU 330 N 0.20 0.20 -0.14 0.59 6.46 0.63 -3.08 115.31 120.17 2q3r h LEU 330 Ca -0.11 0.03 -0.20 0.00 -0.12 0.00 0.00 57.88 57.48 2q3r h LEU 330 Cb 1.72 -0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.65 2q3r h LEU 330 CO 0.18 0.15 -0.71 0.00 -0.62 0.00 0.00 178.44 177.45 2q3r h ALA 331 N 1.21 0.27 -2.64 1.25 0.00 -0.04 -3.43 119.26 115.89 2q3r h ALA 331 Ca 0.16 -0.58 -0.73 0.00 0.00 0.00 0.00 54.91 53.77 2q3r h ALA 331 Cb 0.10 -0.01 -0.29 0.00 0.00 0.00 0.00 17.79 17.59 2q3r h ALA 331 CO -0.14 0.60 -0.40 -0.80 0.00 0.00 0.00 179.25 178.52 2q3r s ASN 332 N -6.99 5.72 0.55 0.00 0.02 0.16 -4.55 114.94 109.84 2q3r s ASN 332 Ca -0.11 -1.84 0.22 0.00 -1.02 0.00 0.00 52.86 50.12 2q3r s ASN 332 Cb 0.08 -2.02 1.47 0.00 0.02 0.00 0.00 41.25 40.80 2q3r s ASN 332 CO 0.88 -0.67 2.14 1.55 0.02 0.00 0.00 177.10 181.02 2q3r h PRO 333 N 8.46 0.00 -0.91 -0.60 0.13 -1.82 -1.66 132.00 135.60 2q3r h PRO 333 Ca -0.22 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.28 2q3r h PRO 333 Cb 1.08 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.86 2q3r h PRO 333 CO 0.85 0.00 0.22 -0.40 -0.23 0.00 0.00 178.00 178.44 2q3r n ASP 334 N -4.25 6.63 -0.31 1.44 3.85 -1.26 -4.14 116.55 118.52 2q3r n ASP 334 Ca -0.00 -3.77 0.12 0.00 -0.71 0.00 0.00 54.79 50.42 2q3r n ASP 334 Cb 0.21 -0.73 0.29 0.00 -1.35 0.00 0.00 41.12 39.54 2q3r n ASP 334 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 2q3r h LEU 335 N 2.08 0.41 0.29 -2.12 5.85 -1.62 -1.06 115.31 119.14 2q3r h LEU 335 Ca 0.52 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 59.37 2q3r h LEU 335 Cb 1.09 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 2q3r h LEU 335 CO 1.27 0.07 -0.26 -0.65 -0.34 0.00 0.00 178.44 178.54 2q3r h PRO 336 N 0.48 -0.54 -0.41 5.25 0.11 -1.88 -0.45 132.00 134.56 2q3r h PRO 336 Ca 0.54 0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.69 2q3r h PRO 336 Cb 0.96 0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2q3r h PRO 336 CO -0.48 -0.36 0.26 -0.22 -0.21 0.00 0.00 178.00 176.99 2q3r h LYS 337 N -0.56 0.52 -0.34 1.05 1.63 -1.84 0.13 116.57 117.15 2q3r h LYS 337 Ca -0.01 -0.03 0.08 0.00 -0.85 0.00 0.00 60.65 59.84 2q3r h LYS 337 Cb 0.51 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 2q3r h LYS 337 CO -0.04 0.34 0.24 0.00 -3.45 0.00 0.00 179.45 176.54 2q3r h ARG 338 N 0.53 0.09 0.04 1.90 3.08 -1.05 0.37 114.38 119.35 2q3r h ARG 338 Ca 0.16 -0.01 -0.21 0.00 0.07 0.00 0.00 59.98 59.99 2q3r h ARG 338 Cb -0.04 -0.02 0.02 0.00 0.08 0.00 0.00 29.97 30.01 2q3r h ARG 338 CO -0.05 0.06 -0.86 0.74 -1.07 0.00 0.00 179.97 178.79 2q3r h PHE 339 N 0.09 0.79 -0.44 3.04 0.04 0.66 1.22 116.94 122.33 2q3r h PHE 339 Ca 0.16 -0.46 -0.07 0.00 2.80 0.00 0.00 57.97 60.40 2q3r h PHE 339 Cb 0.51 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 2q3r h PHE 339 CO -0.00 1.30 -0.01 0.37 -0.60 0.00 0.00 178.31 179.37 2q3r h GLN 340 N 0.05 0.73 0.01 1.51 4.15 0.66 -3.01 115.11 119.20 2q3r h GLN 340 Ca -0.12 -0.19 -0.27 0.00 0.77 0.00 0.00 58.65 58.84 2q3r h GLN 340 Cb 1.57 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 29.13 2q3r h GLN 340 CO 0.17 0.75 -1.53 0.28 -1.93 0.00 0.00 178.83 176.57 2q3r h VAL 341 N 0.68 1.07 -3.42 2.39 2.07 -0.36 -3.49 116.25 115.20 2q3r h VAL 341 Ca 0.13 -2.89 -0.12 0.00 0.82 0.00 0.00 66.70 64.65 2q3r h VAL 341 Cb 0.44 2.54 0.06 0.00 -1.52 0.00 0.00 31.29 32.81 2q3r h VAL 341 CO 0.02 0.63 -0.29 -0.67 0.02 0.00 0.00 177.57 177.27 2q3r n ASP 342 N -3.14 -2.18 -4.92 0.57 2.03 0.40 -5.05 116.55 104.25 2q3r n ASP 342 Ca -0.13 -0.24 -0.26 0.00 0.52 0.00 0.00 54.79 54.69 2q3r n ASP 342 Cb 1.02 -2.24 -0.02 0.00 -0.72 0.00 0.00 41.12 39.17 2q3r n ASP 342 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2q3r s ALA 343 N -3.14 3.63 0.29 -1.67 0.00 0.05 -5.01 121.76 115.91 2q3r s ALA 343 Ca 0.02 -0.73 -0.30 0.00 0.00 0.00 0.00 51.96 50.95 2q3r s ALA 343 Cb -0.00 -2.25 -0.10 0.00 0.00 0.00 0.00 23.12 20.77 2q3r s ALA 343 CO 0.27 0.02 1.46 -1.25 0.00 0.00 0.00 175.76 176.27 2q3r s PRO 344 N -4.11 4.23 0.20 0.00 0.04 -1.26 -4.85 135.00 129.25 2q3r s PRO 344 Ca 0.42 2.39 -0.16 0.00 0.04 0.00 0.00 61.00 63.69 2q3r s PRO 344 Cb -0.10 -3.06 -0.08 0.00 0.04 0.00 0.00 34.50 31.30 2q3r s PRO 344 CO 0.35 -0.45 0.64 -0.51 0.04 0.00 0.00 177.00 177.07 2q3r s LEU 345 N -0.86 4.29 0.54 -3.56 1.43 -1.26 -5.06 118.68 114.20 2q3r s LEU 345 Ca 0.58 1.21 -0.20 0.00 -1.03 0.00 0.00 54.13 54.69 2q3r s LEU 345 Cb -0.43 -3.52 -0.06 0.00 0.03 0.00 0.00 46.19 42.21 2q3r s LEU 345 CO 0.49 0.02 1.15 0.20 0.23 0.00 0.00 176.35 178.44 2q3r s ASN 346 N -1.82 5.67 0.41 2.29 0.01 -1.26 -5.00 114.94 115.24 2q3r s ASN 346 Ca 0.43 2.23 -0.23 0.00 -0.71 0.00 0.00 52.86 54.58 2q3r s ASN 346 Cb -0.15 -2.59 -0.10 0.00 0.41 0.00 0.00 41.25 38.83 2q3r s ASN 346 CO 0.20 -1.25 0.98 -0.54 -1.51 0.00 0.00 177.10 174.97 2q3r s LYS 347 N -3.22 4.24 0.01 -0.60 1.02 -1.26 -4.73 119.74 115.20 2q3r s LYS 347 Ca 0.73 1.27 -0.19 0.00 0.02 0.00 0.00 55.97 57.80 2q3r s LYS 347 Cb -0.26 -2.37 -0.06 0.00 -0.52 0.00 0.00 37.83 34.62 2q3r s LYS 347 CO 0.29 -0.04 0.54 1.52 -0.92 0.00 0.00 175.35 176.74 2q3r s TYR 348 N -1.93 3.72 -0.98 3.18 -0.85 -1.26 -4.89 117.35 114.33 2q3r s TYR 348 Ca 0.59 1.15 -0.13 0.00 -0.52 0.00 0.00 57.07 58.17 2q3r s TYR 348 Cb -0.15 -2.51 0.22 0.00 0.38 0.00 0.00 41.96 39.91 2q3r s TYR 348 CO 0.19 0.47 1.01 0.34 -1.52 0.00 0.00 175.55 176.03 2q3r s ASP 349 N -0.57 6.97 0.40 -0.18 2.15 -1.26 -4.92 116.67 119.25 2q3r s ASP 349 Ca 0.28 -2.94 0.18 0.00 0.43 0.00 0.00 52.55 50.51 2q3r s ASP 349 Cb -0.18 -2.26 1.09 0.00 -0.30 0.00 0.00 42.92 41.27 2q3r s ASP 349 CO 0.16 -0.57 1.79 0.03 -0.17 0.00 0.00 175.17 176.42 2q3r h ARG 350 N 7.49 0.40 0.00 4.34 3.08 -2.01 0.26 114.38 127.94 2q3r h ARG 350 Ca 0.16 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2q3r h ARG 350 Cb 0.96 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.92 2q3r h ARG 350 CO 0.94 0.26 0.00 -1.35 -1.07 0.00 0.00 179.97 178.76 2q3r h PRO 351 N 0.41 0.00 -0.17 0.04 0.11 -2.03 -1.92 132.00 128.45 2q3r h PRO 351 Ca 0.56 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.65 2q3r h PRO 351 Cb 1.41 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.50 2q3r h PRO 351 CO -0.26 0.00 -0.03 0.25 -0.21 0.00 0.00 178.00 177.75 2q3r n THR 352 N -2.96 2.18 -0.07 -1.15 -2.24 0.07 -4.51 114.28 105.61 2q3r n THR 352 Ca -0.02 -2.17 -0.11 0.00 -2.27 0.00 0.00 64.05 59.48 2q3r n THR 352 Cb 0.09 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.02 2q3r n THR 352 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2q3r h PHE 353 N 1.05 0.36 -0.03 4.78 -1.00 -1.27 -3.35 116.94 117.48 2q3r h PHE 353 Ca 0.02 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.77 2q3r h PHE 353 Cb 1.30 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.75 2q3r h PHE 353 CO 0.39 0.41 0.00 0.66 -1.61 0.00 0.00 178.31 178.16 2q3r n TYR 354 N -4.78 0.03 -0.55 -0.55 4.01 -1.26 -4.62 117.16 109.43 2q3r n TYR 354 Ca -0.03 -0.03 -0.29 0.00 -0.16 0.00 0.00 57.90 57.38 2q3r n TYR 354 Cb 0.15 -0.00 0.24 0.00 -0.31 0.00 0.00 39.34 39.41 2q3r n TYR 354 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2q3r s THR 355 N -0.77 2.02 -0.62 -0.72 -4.23 -1.26 -4.65 115.64 105.42 2q3r s THR 355 Ca 0.11 0.01 0.16 0.00 -1.18 0.00 0.00 61.69 60.79 2q3r s THR 355 Cb 0.08 -2.04 0.63 0.00 1.34 0.00 0.00 72.50 72.52 2q3r s THR 355 CO 0.11 -0.01 1.55 -1.54 -0.54 0.00 0.00 174.62 174.19 2q3r n SER 356 N -4.80 4.49 -4.77 3.99 3.41 -1.26 -4.76 113.62 109.92 2q3r n SER 356 Ca 0.05 -2.67 -0.38 0.00 -0.26 0.00 0.00 58.87 55.61 2q3r n SER 356 Cb 0.54 -0.55 -0.01 0.00 -0.26 0.00 0.00 64.21 63.93 2q3r n SER 356 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2q3r s ASP 357 N -1.21 6.31 0.42 4.04 2.15 -1.26 -4.91 116.67 122.21 2q3r s ASP 357 Ca 0.46 2.36 0.20 0.00 0.43 0.00 0.00 52.55 55.99 2q3r s ASP 357 Cb 0.33 -2.61 0.94 0.00 -0.30 0.00 0.00 42.92 41.28 2q3r s ASP 357 CO 0.17 -0.82 1.87 -0.65 -0.17 0.00 0.00 175.17 175.56 2q3r h PRO 358 N 2.33 0.00 0.00 4.34 0.11 -1.95 -3.39 132.00 133.44 2q3r h PRO 358 Ca -0.49 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 2q3r h PRO 358 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2q3r h PRO 358 CO 0.61 0.28 -1.15 0.28 -0.21 0.00 0.00 178.00 177.82 2q3r n VAL 359 N -3.71 0.14 -1.82 3.15 0.31 -1.26 -4.46 118.33 110.68 2q3r n VAL 359 Ca -0.01 -0.04 -0.42 0.00 -0.01 0.00 0.00 64.34 63.86 2q3r n VAL 359 Cb 0.39 -1.35 -0.03 0.00 -0.91 0.00 0.00 33.84 31.94 2q3r n VAL 359 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2q3r s VAL 360 N -2.05 2.70 -0.10 2.52 1.01 -1.26 -0.99 120.40 122.23 2q3r s VAL 360 Ca -0.04 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.20 2q3r s VAL 360 Cb 0.01 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2q3r s VAL 360 CO 0.05 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.76 2q3r n GLY 361 N 4.07 0.26 0.00 4.51 0.00 -1.26 -4.62 105.19 108.15 2q3r n GLY 361 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2q3r n GLY 361 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2q3r n TYR 362 N -2.37 0.00 0.84 1.61 9.36 -0.16 -4.77 117.16 121.67 2q3r n TYR 362 Ca -0.01 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.33 2q3r n TYR 362 Cb 0.33 0.00 0.25 0.00 -0.63 0.00 0.00 39.34 39.30 2q3r n TYR 362 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 2q3r n THR 363 N -0.86 0.24 -0.75 2.97 -2.24 -0.61 -4.41 114.28 108.62 2q3r n THR 363 Ca 0.00 -0.54 -0.02 0.00 -2.27 0.00 0.00 64.05 61.22 2q3r n THR 363 Cb 0.00 0.94 0.30 0.00 -2.10 0.00 0.00 70.33 69.47 2q3r n THR 363 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2q3r n ASP 364 N 1.06 4.70 -4.76 3.42 3.85 -1.10 -4.94 116.55 118.79 2q3r n ASP 364 Ca 0.17 -3.00 -0.40 0.00 -0.71 0.00 0.00 54.79 50.86 2q3r n ASP 364 Cb 0.52 -0.71 -0.06 0.00 -1.35 0.00 0.00 41.12 39.52 2q3r n ASP 364 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 2q3r s TYR 365 N -2.65 3.95 -0.03 2.11 2.02 -1.26 -4.90 117.35 116.59 2q3r s TYR 365 Ca 0.48 1.81 -0.30 0.00 -0.37 0.00 0.00 57.07 58.70 2q3r s TYR 365 Cb 0.38 -2.92 -0.07 0.00 -0.40 0.00 0.00 41.96 38.95 2q3r s TYR 365 CO 0.13 0.45 1.88 -1.25 -1.57 0.00 0.00 175.55 175.18 2q3r s PRO 366 N -1.05 4.04 0.44 -1.71 0.04 -1.26 -4.82 135.00 130.68 2q3r s PRO 366 Ca 0.40 2.37 -0.21 0.00 0.04 0.00 0.00 61.00 63.60 2q3r s PRO 366 Cb -0.25 -4.12 -0.10 0.00 0.04 0.00 0.00 34.50 30.07 2q3r s PRO 366 CO 0.30 -1.05 0.97 0.12 0.04 0.00 0.00 177.00 177.38 2q3r s PHE 367 N 4.73 3.24 1.11 0.56 5.99 -1.26 -4.62 117.98 127.73 2q3r s PHE 367 Ca 0.84 1.60 -0.17 0.00 0.00 0.00 0.00 56.93 59.20 2q3r s PHE 367 Cb -0.38 -2.90 0.25 0.00 0.00 0.00 0.00 43.02 39.99 2q3r s PHE 367 CO 0.37 -0.26 1.15 -0.51 -0.00 0.00 0.00 175.22 175.96 2q3r s LEU 368 N -3.24 1.27 0.00 6.12 1.43 -1.26 -5.11 118.68 117.89 2q3r s LEU 368 Ca 0.63 0.65 0.00 0.00 -1.03 0.00 0.00 54.13 54.38 2q3r s LEU 368 Cb -0.11 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.57 2q3r s LEU 368 CO 0.14 -3.63 0.23 -0.62 0.23 0.00 0.00 176.35 172.70