#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q3r n VAL 10 N 0.00 0.00 -0.38 2.46 0.31 -1.26 -4.74 118.33 114.71 2q3r n VAL 10 Ca 0.00 0.00 0.33 0.00 -0.01 0.00 0.00 64.34 64.66 2q3r n VAL 10 Cb 0.00 -0.37 0.56 0.00 -0.91 0.00 0.00 33.84 33.12 2q3r n VAL 10 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2q3r n PRO 11 N 5.87 -0.03 -0.05 5.55 -0.02 -1.26 0.16 135.00 145.21 2q3r n PRO 11 Ca 0.44 1.08 0.11 0.00 -2.02 0.00 0.00 63.50 63.11 2q3r n PRO 11 Cb -0.01 -2.10 0.45 0.00 -0.02 0.00 0.00 33.50 31.82 2q3r n PRO 11 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2q3r n LEU 12 N -4.49 1.20 -0.15 2.45 4.77 -1.26 -3.61 117.00 115.90 2q3r n LEU 12 Ca 0.34 -0.49 0.05 0.00 -0.03 0.00 0.00 56.01 55.88 2q3r n LEU 12 Cb 1.29 -0.07 0.07 0.00 -2.33 0.00 0.00 43.42 42.39 2q3r n LEU 12 CO 0.13 0.24 0.46 0.18 -1.33 0.00 0.00 177.39 177.07 2q3r n LEU 13 N 0.00 1.54 -4.69 2.23 7.99 0.42 -3.68 117.00 120.81 2q3r n LEU 13 Ca 0.16 -2.13 -0.35 0.00 -0.01 0.00 0.00 56.01 53.68 2q3r n LEU 13 Cb 0.26 -0.21 -0.09 0.00 -0.11 0.00 0.00 43.42 43.27 2q3r n LEU 13 CO 0.13 0.50 -0.24 0.42 -1.51 0.00 0.00 177.39 176.69 2q3r s THR 14 N -1.61 4.90 1.04 -5.08 -4.23 -1.15 -4.76 115.64 104.75 2q3r s THR 14 Ca 0.16 -0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.49 2q3r s THR 14 Cb 0.14 -3.18 0.03 0.00 1.34 0.00 0.00 72.50 70.83 2q3r s THR 14 CO 0.01 0.51 -0.08 -2.65 -0.54 0.00 0.00 174.62 171.87 2q3r n PRO 15 N 3.07 -0.84 -3.55 3.99 -0.02 0.31 -3.92 135.00 134.05 2q3r n PRO 15 Ca -0.17 -0.22 -0.15 0.00 -2.02 0.00 0.00 63.50 60.93 2q3r n PRO 15 Cb 0.53 -1.62 -0.05 0.00 -0.02 0.00 0.00 33.50 32.33 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 -2.25 -0.51 -0.15 6.00 5.04 0.21 -4.75 117.35 120.94 2q3r s TYR 16 Ca 0.53 0.71 -0.02 0.00 -2.44 0.00 0.00 57.07 55.84 2q3r s TYR 16 Cb -0.13 0.37 -0.02 0.00 0.35 0.00 0.00 41.96 42.53 2q3r s TYR 16 CO 0.68 -0.63 -0.07 0.21 -1.34 0.00 0.00 175.55 174.40 2q3r s LYS 17 N -1.99 3.55 -0.38 4.97 2.47 -1.26 -1.01 119.74 126.09 2q3r s LYS 17 Ca -0.08 -0.59 0.03 0.00 -1.56 0.00 0.00 55.97 53.78 2q3r s LYS 17 Cb -0.01 -2.82 0.11 0.00 -1.46 0.00 0.00 37.83 33.66 2q3r s LYS 17 CO 0.02 0.20 0.12 1.41 0.16 0.00 0.00 175.35 177.27 2q3r s MET 18 N 0.43 1.45 7.83 4.03 -2.45 -0.81 -4.98 119.30 124.80 2q3r s MET 18 Ca -0.06 -1.93 0.00 0.00 -1.25 0.00 0.00 55.69 52.45 2q3r s MET 18 Cb -0.15 -2.96 0.00 0.00 1.25 0.00 0.00 34.83 32.97 2q3r s MET 18 CO 0.04 -1.01 0.00 0.41 1.05 0.00 0.00 175.02 175.51 2q3r n GLY 19 N 4.02 3.44 0.53 2.11 0.00 -1.26 -1.03 105.19 113.00 2q3r n GLY 19 Ca 0.04 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.07 2q3r n GLY 19 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2q3r n ARG 20 N 13.78 1.73 -3.44 1.61 3.00 -1.26 -4.89 116.66 127.19 2q3r n ARG 20 Ca 0.00 -1.06 -0.35 0.00 -0.00 0.00 0.00 57.85 56.43 2q3r n ARG 20 Cb 0.00 -1.47 -0.06 0.00 0.00 0.00 0.00 32.46 30.94 2q3r n ARG 20 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2q3r s PHE 21 N -1.96 3.61 -0.48 -0.14 0.40 -0.20 -5.06 117.98 114.15 2q3r s PHE 21 Ca 0.37 0.96 -0.12 0.00 -0.60 0.00 0.00 56.93 57.54 2q3r s PHE 21 Cb 0.20 -2.29 0.11 0.00 0.51 0.00 0.00 43.02 41.55 2q3r s PHE 21 CO 0.32 0.48 0.38 -0.80 0.70 0.00 0.00 175.22 176.30 2q3r s ASN 22 N -1.68 5.87 -0.13 1.36 0.01 -1.26 -1.92 114.94 117.19 2q3r s ASN 22 Ca 0.35 -1.75 -0.09 0.00 -0.71 0.00 0.00 52.86 50.65 2q3r s ASN 22 Cb -0.15 -2.08 -0.05 0.00 0.41 0.00 0.00 41.25 39.39 2q3r s ASN 22 CO 0.18 -0.71 0.19 -0.76 -1.51 0.00 0.00 177.10 174.49 2q3r s LEU 23 N 1.46 4.34 0.17 0.60 1.43 -0.18 -4.76 118.68 121.75 2q3r s LEU 23 Ca 0.04 0.47 0.25 0.00 -1.03 0.00 0.00 54.13 53.87 2q3r s LEU 23 Cb -0.26 -2.17 0.61 0.00 0.03 0.00 0.00 46.19 44.40 2q3r s LEU 23 CO 0.01 0.30 1.58 -1.20 0.23 0.00 0.00 176.35 177.28 2q3r n SER 24 N 2.55 0.77 -3.62 2.29 7.64 -0.33 0.66 113.62 123.58 2q3r n SER 24 Ca -0.17 0.38 -0.03 0.00 1.01 0.00 0.00 58.87 60.06 2q3r n SER 24 Cb 0.54 -0.40 -0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2q3r n SER 24 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2q3r s HIS 25 N -3.13 -0.07 -0.40 1.43 0.00 -1.25 -0.53 115.29 111.34 2q3r s HIS 25 Ca 0.09 -0.28 0.05 0.00 -3.00 0.00 0.00 55.06 51.92 2q3r s HIS 25 Cb 0.13 0.66 0.49 0.00 -4.00 0.00 0.00 32.58 29.86 2q3r s HIS 25 CO 0.65 -0.88 1.55 0.54 -1.00 0.00 0.00 174.74 175.61 2q3r n ARG 26 N -0.53 2.67 -3.46 -0.38 3.00 -1.24 -4.74 116.66 111.97 2q3r n ARG 26 Ca -0.05 -3.53 -0.43 0.00 -0.01 0.00 0.00 57.85 53.82 2q3r n ARG 26 Cb 0.60 -2.11 -0.05 0.00 0.00 0.00 0.00 32.46 30.90 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 -4.12 4.86 -0.04 1.55 1.01 -1.23 0.11 120.40 122.54 2q3r s VAL 27 Ca 0.53 -2.35 -0.14 0.00 0.00 0.00 0.00 61.98 60.01 2q3r s VAL 27 Cb 0.44 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 2q3r s VAL 27 CO 0.01 -0.93 0.37 -0.69 0.00 0.00 0.00 175.10 173.87 2q3r s VAL 28 N 0.49 5.13 -0.18 2.92 1.01 0.34 -4.56 120.40 125.55 2q3r s VAL 28 Ca 0.14 0.75 -0.29 0.00 0.00 0.00 0.00 61.98 62.57 2q3r s VAL 28 Cb -0.18 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 2q3r s VAL 28 CO -0.05 0.54 1.09 -0.22 0.00 0.00 0.00 175.10 176.47 2q3r s LEU 29 N -0.76 4.16 0.23 3.92 2.96 -1.03 0.76 118.68 128.93 2q3r s LEU 29 Ca 0.22 1.51 -0.30 0.00 -0.22 0.00 0.00 54.13 55.34 2q3r s LEU 29 Cb -0.16 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.90 2q3r s LEU 29 CO 0.11 -0.64 1.18 0.00 -1.32 0.00 0.00 176.35 175.68 2q3r s ALA 30 N 2.93 3.44 0.03 5.97 0.00 0.25 -2.45 121.76 131.93 2q3r s ALA 30 Ca 0.48 0.97 -0.35 0.00 0.00 0.00 0.00 51.96 53.06 2q3r s ALA 30 Cb -0.18 -3.39 -0.14 0.00 0.00 0.00 0.00 23.12 19.40 2q3r s ALA 30 CO 0.11 -0.34 1.61 -0.35 0.00 0.00 0.00 175.76 176.80 2q3r n PRO 31 N 1.91 1.80 -3.78 0.00 -0.04 -1.24 -4.86 135.00 128.79 2q3r n PRO 31 Ca 0.02 0.65 -0.28 0.00 -0.04 0.00 0.00 63.50 63.85 2q3r n PRO 31 Cb 0.44 -2.40 -0.16 0.00 -0.04 0.00 0.00 33.50 31.34 2q3r n PRO 31 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2q3r s LEU 32 N 1.83 1.55 -0.04 1.53 1.43 -1.26 -4.84 118.68 118.87 2q3r s LEU 32 Ca 0.86 -0.96 -0.30 0.00 -1.03 0.00 0.00 54.13 52.70 2q3r s LEU 32 Cb -0.79 -0.74 -0.06 0.00 0.03 0.00 0.00 46.19 44.62 2q3r s LEU 32 CO 0.46 -0.30 1.73 -0.89 0.23 0.00 0.00 176.35 177.58 2q3r s THR 33 N 1.74 3.46 -0.92 5.49 2.01 -1.26 -3.93 115.64 122.23 2q3r s THR 33 Ca -0.01 0.55 0.08 0.00 0.31 0.00 0.00 61.69 62.62 2q3r s THR 33 Cb -0.17 -3.36 0.12 0.00 0.01 0.00 0.00 72.50 69.10 2q3r s THR 33 CO -0.09 -0.06 0.92 0.54 -0.69 0.00 0.00 174.62 175.24 2q3r n ARG 34 N 7.26 1.14 -1.43 4.92 5.12 -1.26 -4.90 116.66 127.51 2q3r n ARG 34 Ca 0.18 -1.32 -0.02 0.00 -1.93 0.00 0.00 57.85 54.75 2q3r n ARG 34 Cb 0.42 -1.17 -0.01 0.00 -1.16 0.00 0.00 32.46 30.54 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 0.39 -1.51 -0.81 5.56 6.02 -1.25 -4.71 117.38 121.07 2q3r n GLN 35 Ca 0.06 0.13 0.05 0.00 -0.01 0.00 0.00 57.00 57.23 2q3r n GLN 35 Cb 0.27 -4.30 0.35 0.00 1.02 0.00 0.00 30.24 27.58 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 -1.51 4.13 -3.35 -1.09 1.74 -1.06 -4.41 116.66 111.10 2q3r n ARG 36 Ca -0.02 -3.08 -0.45 0.00 -0.77 0.00 0.00 57.85 53.53 2q3r n ARG 36 Cb 0.19 -2.14 -0.00 0.00 -1.02 0.00 0.00 32.46 29.48 2q3r n ARG 36 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2q3r s SER 37 N -1.18 7.26 -0.21 0.55 0.01 -0.18 -4.78 113.70 115.18 2q3r s SER 37 Ca 0.51 -3.56 -0.40 0.00 1.31 0.00 0.00 55.95 53.81 2q3r s SER 37 Cb 0.40 -2.20 -0.16 0.00 0.21 0.00 0.00 66.02 64.27 2q3r s SER 37 CO 0.13 -0.30 1.63 -1.22 0.41 0.00 0.00 173.24 173.89 2q3r n TYR 38 N 2.74 1.87 -1.07 2.43 0.53 -1.25 -0.16 117.16 122.25 2q3r n TYR 38 Ca 0.23 0.62 -0.02 0.00 -1.02 0.00 0.00 57.90 57.71 2q3r n TYR 38 Cb 0.39 -2.40 -0.01 0.00 -1.03 0.00 0.00 39.34 36.29 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 3.74 0.54 2.76 2.72 0.00 -1.26 -2.37 105.19 111.32 2q3r n GLY 39 Ca 0.25 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.10 -1.28 -4.73 1.61 5.03 0.78 -5.00 115.26 111.78 2q3r n ASN 40 Ca -0.02 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.05 2q3r n ASN 40 Cb 0.19 -0.55 -0.06 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 -2.94 5.19 -0.11 2.41 1.01 -1.00 -0.86 120.40 124.10 2q3r s VAL 41 Ca 0.00 0.91 -0.29 0.00 0.00 0.00 0.00 61.98 62.60 2q3r s VAL 41 Cb 0.00 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 2q3r s VAL 41 CO 0.00 0.34 2.04 -2.84 0.00 0.00 0.00 175.10 174.64 2q3r s PRO 42 N 0.54 3.65 0.77 2.72 0.02 -1.26 -3.94 135.00 137.49 2q3r s PRO 42 Ca 0.25 2.24 -0.07 0.00 0.02 0.00 0.00 61.00 63.44 2q3r s PRO 42 Cb -0.15 -4.24 0.12 0.00 0.02 0.00 0.00 34.50 30.24 2q3r s PRO 42 CO 0.10 -1.51 1.08 -0.65 -0.33 0.00 0.00 177.00 175.69 2q3r s GLN 43 N 5.34 1.63 0.05 5.54 -1.52 -1.26 -4.65 119.66 124.79 2q3r s GLN 43 Ca 0.92 -0.59 -0.07 0.00 -1.95 0.00 0.00 55.36 53.67 2q3r s GLN 43 Cb -0.36 -2.15 -0.30 0.00 -0.22 0.00 0.00 33.01 29.98 2q3r s GLN 43 CO 0.37 -1.60 1.06 -1.35 -0.25 0.00 0.00 175.29 173.53 2q3r h PRO 44 N -0.83 0.34 -0.11 2.91 0.11 -1.93 -3.31 132.00 129.18 2q3r h PRO 44 Ca -0.42 -0.58 0.03 0.00 0.11 0.00 0.00 66.00 65.15 2q3r h PRO 44 Cb 1.28 0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.60 2q3r h PRO 44 CO 0.48 1.26 0.14 1.12 -0.21 0.00 0.00 178.00 180.79 2q3r h HIS 45 N 0.09 0.00 -0.05 0.65 2.07 -1.96 0.64 115.15 116.59 2q3r h HIS 45 Ca -0.18 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.35 2q3r h HIS 45 Cb 2.03 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 32.01 2q3r h HIS 45 CO 0.08 0.00 0.04 0.00 -3.07 0.00 0.00 177.93 174.98 2q3r h ALA 46 N 1.82 2.02 -0.01 6.11 0.00 -1.93 0.17 119.26 127.44 2q3r h ALA 46 Ca 0.05 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2q3r h ALA 46 Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2q3r h ALA 46 CO -0.00 -0.07 -0.50 0.00 0.00 0.00 0.00 179.25 178.69 2q3r h ALA 47 N 1.97 1.16 -0.22 0.00 0.00 -1.07 -0.45 119.26 120.65 2q3r h ALA 47 Ca 0.02 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 2q3r h ALA 47 Cb 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2q3r h ALA 47 CO -0.00 0.63 -0.11 0.82 0.00 0.00 0.00 179.25 180.59 2q3r h ILE 48 N 0.02 1.30 -0.03 0.00 1.08 -0.76 -2.23 117.51 116.90 2q3r h ILE 48 Ca -0.00 -1.18 -0.01 0.00 -0.39 0.00 0.00 64.86 63.28 2q3r h ILE 48 Cb 0.89 1.61 -0.00 0.00 -3.07 0.00 0.00 36.82 36.24 2q3r h ILE 48 CO 0.07 0.36 -0.01 0.22 -0.69 0.00 0.00 178.15 178.10 2q3r h TYR 49 N 0.17 0.07 0.00 1.37 3.20 -1.18 -2.66 116.97 117.95 2q3r h TYR 49 Ca 0.05 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 2q3r h TYR 49 Cb 0.60 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 2q3r h TYR 49 CO 0.06 0.42 -0.30 1.88 -1.64 0.00 0.00 178.16 178.58 2q3r h TYR 50 N -0.30 0.00 -0.10 -3.82 0.05 -1.16 -2.89 116.97 108.75 2q3r h TYR 50 Ca 0.01 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.60 2q3r h TYR 50 Cb 0.40 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.14 2q3r h TYR 50 CO 0.06 0.30 -0.72 1.03 -1.05 0.00 0.00 178.16 177.77 2q3r h SER 51 N 0.00 0.56 0.14 3.88 0.87 -1.40 -3.04 113.55 114.55 2q3r h SER 51 Ca -0.00 -0.36 -0.05 0.00 -1.23 0.00 0.00 61.79 60.14 2q3r h SER 51 Cb 0.63 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 2q3r h SER 51 CO 0.04 1.11 -0.20 1.56 -0.53 0.00 0.00 176.83 178.81 2q3r h GLN 52 N 0.33 0.13 -0.35 2.24 4.20 -1.26 -2.83 115.11 117.57 2q3r h GLN 52 Ca -0.03 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2q3r h GLN 52 Cb 1.31 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.07 2q3r h GLN 52 CO 0.13 0.33 0.00 0.54 -0.67 0.00 0.00 178.83 179.16 2q3r n ARG 53 N -4.24 2.20 -3.35 1.46 1.74 -1.18 -4.53 116.66 108.76 2q3r n ARG 53 Ca -0.01 -1.82 -0.35 0.00 -0.77 0.00 0.00 57.85 54.90 2q3r n ARG 53 Cb 0.30 -1.45 -0.06 0.00 -1.02 0.00 0.00 32.46 30.23 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 -1.55 4.85 0.09 0.55 2.01 -1.07 -4.96 115.64 115.56 2q3r s THR 54 Ca 0.36 0.85 0.02 0.00 0.31 0.00 0.00 61.69 63.23 2q3r s THR 54 Cb 0.20 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 2q3r s THR 54 CO 0.28 0.25 -0.08 0.42 -0.69 0.00 0.00 174.62 174.80 2q3r s THR 55 N -1.46 0.74 -0.44 -0.82 -4.23 -1.26 -5.00 115.64 103.17 2q3r s THR 55 Ca 0.38 -1.69 -0.32 0.00 -1.18 0.00 0.00 61.69 58.88 2q3r s THR 55 Cb -0.15 -1.38 -0.11 0.00 1.34 0.00 0.00 72.50 72.19 2q3r s THR 55 CO 0.19 -0.69 2.30 -2.65 -0.54 0.00 0.00 174.62 173.23 2q3r n PRO 56 N 0.41 1.03 -2.32 3.99 -0.02 -1.11 -0.16 135.00 136.82 2q3r n PRO 56 Ca -0.15 0.22 -0.05 0.00 -2.02 0.00 0.00 63.50 61.50 2q3r n PRO 56 Cb 0.59 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 2q3r n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2q3r n GLY 57 N 6.37 0.33 3.88 -1.23 0.00 0.70 -4.46 105.19 110.78 2q3r n GLY 57 Ca 0.42 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.89 2.22 -0.20 -0.02 0.00 0.77 -1.19 107.32 106.02 2q3r s GLY 58 Ca 0.05 -0.60 -0.15 0.00 0.00 0.00 0.00 44.72 44.02 2q3r s GLY 58 CO 0.06 -0.37 0.37 -0.12 0.00 0.00 0.00 173.10 173.04 2q3r s PHE 59 N -1.16 3.38 -0.02 1.90 5.99 -1.26 -0.38 117.98 126.43 2q3r s PHE 59 Ca 0.21 0.59 0.03 0.00 0.00 0.00 0.00 56.93 57.76 2q3r s PHE 59 Cb -0.13 -2.49 -0.00 0.00 0.00 0.00 0.00 43.02 40.40 2q3r s PHE 59 CO 0.11 0.01 -0.09 -0.51 -0.00 0.00 0.00 175.22 174.75 2q3r s LEU 60 N 1.22 1.87 -0.10 6.12 1.02 -0.52 -2.46 118.68 125.83 2q3r s LEU 60 Ca 0.18 -0.17 0.00 0.00 0.02 0.00 0.00 54.13 54.16 2q3r s LEU 60 Cb -0.15 -0.50 -0.02 0.00 0.02 0.00 0.00 46.19 45.55 2q3r s LEU 60 CO 0.07 0.08 -0.11 -0.63 0.02 0.00 0.00 176.35 175.79 2q3r s ILE 61 N 0.04 3.31 0.93 -0.59 1.01 -1.03 -1.88 121.20 123.00 2q3r s ILE 61 Ca -0.00 -0.59 -0.14 0.00 0.00 0.00 0.00 60.65 59.92 2q3r s ILE 61 Cb -0.06 -2.37 0.15 0.00 0.01 0.00 0.00 42.46 40.18 2q3r s ILE 61 CO 0.00 0.55 1.18 0.42 0.00 0.00 0.00 174.94 177.09 2q3r s THR 62 N -0.12 1.96 0.96 2.92 -4.23 -0.73 -3.61 115.64 112.79 2q3r s THR 62 Ca -0.00 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.40 2q3r s THR 62 Cb -0.13 -2.82 0.15 0.00 1.34 0.00 0.00 72.50 71.03 2q3r s THR 62 CO 0.03 0.00 0.99 -1.84 -0.54 0.00 0.00 174.62 173.26 2q3r n GLU 63 N -3.78 -0.70 -1.79 3.99 0.28 -1.25 -4.09 120.64 113.29 2q3r n GLU 63 Ca 0.09 -0.15 -0.41 0.00 -0.16 0.00 0.00 57.16 56.53 2q3r n GLU 63 Cb 0.60 -2.25 -0.00 0.00 1.43 0.00 0.00 31.44 31.21 2q3r n GLU 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2q3r s ALA 64 N -2.56 3.62 -0.08 -1.84 0.00 -1.26 -4.37 121.76 115.27 2q3r s ALA 64 Ca 0.65 1.58 0.03 0.00 0.00 0.00 0.00 51.96 54.23 2q3r s ALA 64 Cb -0.23 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.28 2q3r s ALA 64 CO 0.61 -1.05 -0.18 0.99 0.00 0.00 0.00 175.76 176.13 2q3r s THR 65 N -0.84 1.55 0.51 0.00 2.01 -0.13 -4.32 115.64 114.42 2q3r s THR 65 Ca 0.56 -0.72 -0.22 0.00 0.31 0.00 0.00 61.69 61.61 2q3r s THR 65 Cb -0.47 -1.37 -0.06 0.00 0.01 0.00 0.00 72.50 70.61 2q3r s THR 65 CO 0.60 0.45 1.27 -0.83 -0.69 0.00 0.00 174.62 175.41 2q3r s GLY 66 N 0.49 2.84 0.00 4.40 0.00 0.38 -2.35 107.32 113.08 2q3r s GLY 66 Ca -0.16 1.15 0.10 0.00 0.00 0.00 0.00 44.72 45.81 2q3r s GLY 66 CO 0.06 1.64 0.83 3.33 0.00 0.00 0.00 173.10 178.96 2q3r n VAL 67 N -0.81 0.03 -3.57 1.40 0.24 -1.22 -0.76 118.33 113.64 2q3r n VAL 67 Ca 0.09 -0.52 -0.07 0.00 -2.04 0.00 0.00 64.34 61.80 2q3r n VAL 67 Cb 0.46 1.18 -0.04 0.00 -1.47 0.00 0.00 33.84 33.98 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 -0.83 -0.27 0.00 -1.34 1.04 -1.26 -4.66 113.70 106.38 2q3r s SER 68 Ca 0.12 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.73 2q3r s SER 68 Cb 0.08 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2q3r s SER 68 CO 0.12 -0.33 0.81 -0.90 0.98 0.00 0.00 173.24 173.92 2q3r n ASP 69 N 0.31 0.00 -0.40 7.02 5.68 -1.26 -0.26 116.55 127.65 2q3r n ASP 69 Ca -0.06 0.31 0.04 0.00 -0.50 0.00 0.00 54.79 54.57 2q3r n ASP 69 Cb 0.59 -0.31 0.10 0.00 -1.14 0.00 0.00 41.12 40.36 2q3r n ASP 69 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2q3r n THR 70 N -1.31 1.06 1.07 2.12 -2.24 -1.26 -4.34 114.28 109.38 2q3r n THR 70 Ca 0.00 -1.06 0.09 0.00 -2.27 0.00 0.00 64.05 60.82 2q3r n THR 70 Cb 0.19 0.46 0.31 0.00 -2.10 0.00 0.00 70.33 69.19 2q3r n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2q3r n ALA 71 N 0.06 2.49 -2.71 6.98 0.00 0.64 -4.61 120.51 123.37 2q3r n ALA 71 Ca 0.08 -0.58 -0.33 0.00 0.00 0.00 0.00 53.44 52.60 2q3r n ALA 71 Cb 0.38 -1.05 -0.08 0.00 0.00 0.00 0.00 19.45 18.70 2q3r n ALA 71 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2q3r s GLN 72 N -1.70 2.93 0.00 0.00 1.11 -1.26 -1.47 119.66 119.28 2q3r s GLN 72 Ca 0.31 -0.50 0.00 0.00 0.01 0.00 0.00 55.36 55.17 2q3r s GLN 72 Cb 0.16 -2.77 0.00 0.00 -1.01 0.00 0.00 33.01 29.39 2q3r s GLN 72 CO 0.24 0.66 0.09 0.41 0.01 0.00 0.00 175.29 176.70 2q3r n GLY 73 N 1.57 0.45 3.24 3.09 0.00 -1.26 -4.66 105.19 107.62 2q3r n GLY 73 Ca -0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.01 1.25 -0.04 1.61 2.02 -1.26 -4.63 117.35 116.29 2q3r s TYR 74 Ca 0.00 -0.74 -0.28 0.00 -0.37 0.00 0.00 57.07 55.67 2q3r s TYR 74 Cb 0.00 -0.64 -0.03 0.00 -0.40 0.00 0.00 41.96 40.89 2q3r s TYR 74 CO 0.00 0.08 0.92 1.14 -1.57 0.00 0.00 175.55 176.12 2q3r s GLN 75 N -3.62 4.50 -0.94 -0.62 -2.07 -1.26 -4.15 119.66 111.49 2q3r s GLN 75 Ca 0.15 1.29 -0.06 0.00 -1.82 0.00 0.00 55.36 54.93 2q3r s GLN 75 Cb 0.02 -3.47 0.01 0.00 -1.09 0.00 0.00 33.01 28.47 2q3r s GLN 75 CO 0.01 -0.08 0.82 -0.25 -1.32 0.00 0.00 175.29 174.47 2q3r n ASP 76 N 4.10 -4.75 -4.87 12.60 8.00 -1.26 -4.62 116.55 125.75 2q3r n ASP 76 Ca 0.05 -0.39 -0.36 0.00 0.71 0.00 0.00 54.79 54.80 2q3r n ASP 76 Cb 0.51 -3.69 -0.06 0.00 -0.02 0.00 0.00 41.12 37.86 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 -3.23 5.23 0.60 -3.53 -4.23 -1.26 -1.01 115.64 108.21 2q3r s THR 77 Ca 0.37 0.44 -0.18 0.00 -1.18 0.00 0.00 61.69 61.14 2q3r s THR 77 Cb -0.16 -3.59 -0.03 0.00 1.34 0.00 0.00 72.50 70.06 2q3r s THR 77 CO 0.51 0.48 1.14 -2.16 -0.54 0.00 0.00 174.62 174.05 2q3r s PRO 78 N -1.40 3.06 0.43 3.99 0.04 -1.26 -4.20 135.00 135.67 2q3r s PRO 78 Ca 0.24 1.59 0.06 0.00 0.04 0.00 0.00 61.00 62.93 2q3r s PRO 78 Cb -0.14 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 2q3r s PRO 78 CO 0.13 -1.08 0.09 0.20 0.04 0.00 0.00 177.00 176.38 2q3r s GLY 79 N -1.99 2.52 -0.33 0.56 0.00 -0.04 0.14 107.32 108.18 2q3r s GLY 79 Ca 0.72 -1.87 0.14 0.00 0.00 0.00 0.00 44.72 43.71 2q3r s GLY 79 CO 0.33 -2.04 1.44 4.51 0.00 0.00 0.00 173.10 177.34 2q3r n ILE 80 N -1.16 0.24 0.50 0.90 3.06 0.06 -4.71 119.36 118.25 2q3r n ILE 80 Ca -0.06 -1.43 0.05 0.00 -2.50 0.00 0.00 62.75 58.82 2q3r n ILE 80 Cb 0.66 1.04 -0.03 0.00 0.54 0.00 0.00 39.64 41.86 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 -1.26 0.00 -4.37 9.51 2.14 -1.25 -4.51 117.44 117.69 2q3r n TRP 81 Ca -0.12 0.00 -0.24 0.00 2.07 0.00 0.00 57.50 59.22 2q3r n TRP 81 Cb 0.86 0.00 -0.09 0.00 -0.81 0.00 0.00 31.31 31.28 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 -1.69 2.92 0.36 -1.67 -4.23 -1.26 -4.99 115.64 105.08 2q3r s THR 82 Ca 0.07 -2.12 0.08 0.00 -1.18 0.00 0.00 61.69 58.54 2q3r s THR 82 Cb 0.09 -2.63 0.13 0.00 1.34 0.00 0.00 72.50 71.43 2q3r s THR 82 CO 0.35 -0.35 1.86 0.11 -0.54 0.00 0.00 174.62 176.05 2q3r h LYS 83 N 2.02 0.30 -0.23 3.99 1.57 -1.99 -1.68 116.57 120.55 2q3r h LYS 83 Ca -0.42 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.28 2q3r h LYS 83 Cb 1.25 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 2q3r h LYS 83 CO 0.61 0.46 0.14 1.49 -0.57 0.00 0.00 179.45 181.58 2q3r h GLU 84 N 0.29 0.27 -0.04 3.15 4.81 -1.99 -0.35 114.58 120.72 2q3r h GLU 84 Ca 0.05 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2q3r h GLU 84 Cb 0.45 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2q3r h GLU 84 CO 0.03 0.18 -0.05 0.45 -0.73 0.00 0.00 179.01 178.89 2q3r h HIS 85 N 0.28 -0.11 -0.08 0.92 3.86 -1.76 0.09 115.15 118.35 2q3r h HIS 85 Ca 0.09 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.33 2q3r h HIS 85 Cb -0.01 0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.48 2q3r h HIS 85 CO -0.08 -0.08 -0.38 0.28 0.86 0.00 0.00 177.93 178.54 2q3r h VAL 86 N -0.07 0.00 -0.97 2.45 2.07 -0.96 0.61 116.25 119.38 2q3r h VAL 86 Ca 0.03 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.79 2q3r h VAL 86 Cb 0.11 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.81 2q3r h VAL 86 CO -0.08 0.00 0.65 -0.33 0.02 0.00 0.00 177.57 177.83 2q3r h GLU 87 N -0.42 0.33 0.00 1.57 4.39 -0.83 0.28 114.58 119.90 2q3r h GLU 87 Ca 0.02 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 2q3r h GLU 87 Cb 0.48 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 2q3r h GLU 87 CO -0.30 0.22 -0.62 0.00 -1.16 0.00 0.00 179.01 177.15 2q3r h ALA 88 N 1.59 0.90 0.00 3.43 0.00 0.11 -3.24 119.26 122.05 2q3r h ALA 88 Ca 0.52 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2q3r h ALA 88 Cb 1.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2q3r h ALA 88 CO -0.19 0.77 -0.40 -1.49 0.00 0.00 0.00 179.25 177.94 2q3r h TRP 89 N 0.00 0.00 -0.12 0.00 4.06 0.11 -3.36 115.95 116.64 2q3r h TRP 89 Ca -0.01 0.00 0.04 0.00 2.06 0.00 0.00 58.89 60.98 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 0.00 0.40 -0.15 0.87 -3.56 0.00 0.00 178.44 176.01 2q3r h LYS 90 N 0.00 -0.18 0.00 0.49 1.57 -1.53 -1.06 116.57 115.87 2q3r h LYS 90 Ca -0.00 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2q3r h LYS 90 Cb 1.16 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 2q3r h LYS 90 CO 0.05 -0.12 -0.13 -1.00 -0.57 0.00 0.00 179.45 177.68 2q3r h PRO 91 N -0.18 0.00 -0.15 3.15 0.13 -1.77 0.64 132.00 133.82 2q3r h PRO 91 Ca 0.09 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.16 2q3r h PRO 91 Cb 0.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.44 2q3r h PRO 91 CO -0.23 0.13 -0.14 0.82 -0.23 0.00 0.00 178.00 178.35 2q3r h ILE 92 N 0.00 1.34 -0.55 -3.56 2.04 -1.61 -2.40 117.51 112.76 2q3r h ILE 92 Ca -0.00 -1.27 -0.04 0.00 1.00 0.00 0.00 64.86 64.55 2q3r h ILE 92 Cb 0.26 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 2q3r h ILE 92 CO 0.02 0.38 0.21 0.58 0.00 0.00 0.00 178.15 179.33 2q3r h VAL 93 N 0.00 1.23 -0.59 1.67 2.07 -0.82 -2.67 116.25 117.15 2q3r h VAL 93 Ca 0.03 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 2q3r h VAL 93 Cb 0.66 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 2q3r h VAL 93 CO 0.03 0.28 0.29 0.44 0.02 0.00 0.00 177.57 178.64 2q3r h ASP 94 N 0.76 0.73 -0.25 0.57 3.32 -0.86 -1.14 116.42 119.56 2q3r h ASP 94 Ca 0.18 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 2q3r h ASP 94 Cb 0.23 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2q3r h ASP 94 CO -0.01 0.61 0.14 0.00 -1.72 0.00 0.00 179.24 178.26 2q3r h ALA 95 N 1.50 0.32 0.43 3.45 0.00 -1.17 0.18 119.26 123.98 2q3r h ALA 95 Ca 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2q3r h ALA 95 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2q3r h ALA 95 CO -0.03 -0.15 -0.21 0.28 0.00 0.00 0.00 179.25 179.14 2q3r h VAL 96 N 0.29 0.58 -0.53 0.00 2.07 -1.12 -2.11 116.25 115.42 2q3r h VAL 96 Ca 0.09 -0.19 0.15 0.00 0.82 0.00 0.00 66.70 67.58 2q3r h VAL 96 Cb 0.06 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 2q3r h VAL 96 CO -0.01 0.04 0.43 0.45 0.02 0.00 0.00 177.57 178.49 2q3r h HIS 97 N -0.68 0.00 -0.72 1.57 -0.00 -1.14 0.53 115.15 114.72 2q3r h HIS 97 Ca -0.06 0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.39 2q3r h HIS 97 Cb 0.50 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.86 2q3r h HIS 97 CO -0.02 0.00 0.47 0.00 -0.00 0.00 0.00 177.93 178.38 2q3r h ALA 98 N 1.64 1.79 -0.56 2.45 0.00 -0.24 0.19 119.26 124.53 2q3r h ALA 98 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2q3r h ALA 98 Cb 1.11 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2q3r h ALA 98 CO -0.00 0.07 0.00 1.63 0.00 0.00 0.00 179.25 180.95 2q3r n LYS 99 N -4.49 4.14 -1.39 0.00 5.02 0.16 -4.96 118.16 116.64 2q3r n LYS 99 Ca 0.11 -2.99 -0.08 0.00 -2.02 0.00 0.00 58.31 53.34 2q3r n LYS 99 Cb 0.29 -2.04 -0.03 0.00 -0.02 0.00 0.00 35.03 33.24 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 0.70 0.80 3.85 0.72 0.00 0.05 -2.75 105.19 108.56 2q3r n GLY 100 Ca 0.26 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.87 1.92 -0.21 -0.02 0.00 -1.12 -0.22 107.32 104.80 2q3r s GLY 101 Ca 0.00 0.10 -0.10 0.00 0.00 0.00 0.00 44.72 44.72 2q3r s GLY 101 CO 0.00 0.38 0.13 -0.42 0.00 0.00 0.00 173.10 173.19 2q3r s ILE 102 N -2.81 5.27 -0.18 0.90 1.09 0.49 -4.45 121.20 121.52 2q3r s ILE 102 Ca 0.58 0.14 0.01 0.00 -1.10 0.00 0.00 60.65 60.28 2q3r s ILE 102 Cb -0.11 -3.42 0.03 0.00 -1.06 0.00 0.00 42.46 37.90 2q3r s ILE 102 CO 0.40 0.40 -0.12 0.12 -0.10 0.00 0.00 174.94 175.64 2q3r s PHE 103 N 0.66 2.30 -0.09 3.97 5.36 -1.26 -1.44 117.98 127.48 2q3r s PHE 103 Ca 0.07 -1.42 0.00 0.00 -0.96 0.00 0.00 56.93 54.62 2q3r s PHE 103 Cb -0.12 -1.62 -0.03 0.00 -0.34 0.00 0.00 43.02 40.91 2q3r s PHE 103 CO 0.01 -0.71 -0.08 -0.06 -1.46 0.00 0.00 175.22 172.92 2q3r s PHE 104 N 1.44 2.90 -0.31 10.12 0.40 -0.79 -1.31 117.98 130.44 2q3r s PHE 104 Ca 0.02 -0.17 -0.19 0.00 -0.60 0.00 0.00 56.93 55.98 2q3r s PHE 104 Cb -0.15 -1.77 -0.01 0.00 0.51 0.00 0.00 43.02 41.60 2q3r s PHE 104 CO -0.09 0.15 0.58 0.00 0.70 0.00 0.00 175.22 176.56 2q3r s GLN 106 N 2.51 4.55 -0.07 0.00 0.74 -1.26 -1.33 119.66 124.79 2q3r s GLN 106 Ca 0.23 1.26 0.05 0.00 0.05 0.00 0.00 55.36 56.96 2q3r s GLN 106 Cb -0.15 -3.43 -0.01 0.00 1.10 0.00 0.00 33.01 30.52 2q3r s GLN 106 CO 0.12 0.05 -0.24 0.96 -0.55 0.00 0.00 175.29 175.63 2q3r s ILE 107 N 0.70 2.13 0.00 -2.34 -4.36 0.19 -0.95 121.20 116.57 2q3r s ILE 107 Ca 0.47 -1.03 0.00 0.00 -0.26 0.00 0.00 60.65 59.83 2q3r s ILE 107 Cb -0.21 -1.79 0.00 0.00 1.25 0.00 0.00 42.46 41.72 2q3r s ILE 107 CO 0.25 0.57 0.00 -2.67 0.24 0.00 0.00 174.94 173.33 2q3r n TRP 108 N 3.10 0.00 -3.46 1.37 4.27 -0.99 0.02 117.44 121.75 2q3r n TRP 108 Ca -0.18 0.00 0.01 0.00 -3.89 0.00 0.00 57.50 53.44 2q3r n TRP 108 Cb 0.52 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.43 2q3r n TRP 108 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 2q3r s HIS 109 N -0.90 -0.69 -0.73 -2.67 2.46 -1.26 -3.42 115.29 108.08 2q3r s HIS 109 Ca 0.00 1.23 0.22 0.00 0.47 0.00 0.00 55.06 56.98 2q3r s HIS 109 Cb 0.00 0.41 0.88 0.00 -0.13 0.00 0.00 32.58 33.74 2q3r s HIS 109 CO 0.00 -0.34 1.68 1.33 -2.47 0.00 0.00 174.74 174.93 2q3r n VAL 110 N 4.74 0.74 0.00 0.89 0.24 -0.54 0.58 118.33 124.98 2q3r n VAL 110 Ca -0.11 0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 2q3r n VAL 110 Cb 0.53 -0.94 0.00 0.00 -1.47 0.00 0.00 33.84 31.96 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 0.39 3.38 0.29 7.63 0.00 -1.26 -0.88 105.19 114.74 2q3r n GLY 111 Ca 0.04 -0.07 0.17 0.00 0.00 0.00 0.00 46.02 46.16 2q3r n GLY 111 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2q3r h ARG 112 N 0.00 0.00 -3.88 1.61 0.11 -1.85 -3.34 114.38 107.02 2q3r h ARG 112 Ca 0.00 0.00 -0.61 0.00 0.10 0.00 0.00 59.98 59.47 2q3r h ARG 112 Cb 0.00 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.09 2q3r h ARG 112 CO 0.00 0.05 2.84 0.28 0.10 0.00 0.00 179.97 183.23 2q3r n VAL 113 N -3.28 2.78 -2.52 0.08 0.31 -0.06 -4.70 118.33 110.95 2q3r n VAL 113 Ca -0.01 -2.09 0.00 0.00 -0.01 0.00 0.00 64.34 62.23 2q3r n VAL 113 Cb 0.22 -2.40 0.00 0.00 -0.91 0.00 0.00 33.84 30.75 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 5.75 0.00 -3.74 4.52 2.88 -1.25 -4.19 113.62 117.58 2q3r n SER 114 Ca 0.53 -0.29 -0.14 0.00 -1.33 0.00 0.00 58.87 57.65 2q3r n SER 114 Cb 0.31 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.69 2q3r n SER 114 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2q3r s ASN 115 N 0.97 -0.22 0.46 -3.46 2.47 -1.26 -4.36 114.94 109.54 2q3r s ASN 115 Ca 0.00 0.12 0.24 0.00 0.42 0.00 0.00 52.86 53.64 2q3r s ASN 115 Cb 0.00 0.33 1.26 0.00 -1.45 0.00 0.00 41.25 41.39 2q3r s ASN 115 CO 0.00 -0.47 1.84 0.77 -3.72 0.00 0.00 177.10 175.52 2q3r h SER 116 N 3.77 0.25 0.52 -4.21 4.64 -1.85 0.71 113.55 117.37 2q3r h SER 116 Ca -0.30 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2q3r h SER 116 Cb 1.18 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2q3r h SER 116 CO 0.40 0.07 0.00 1.23 -0.87 0.00 0.00 176.83 177.67 2q3r h GLY 117 N 0.24 0.00 -1.56 -0.77 0.00 -1.84 -1.98 103.07 97.15 2q3r h GLY 117 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 2q3r h GLY 117 CO -0.14 0.00 -0.18 0.69 0.00 0.00 0.00 176.54 176.92 2q3r n PHE 118 N -2.47 0.00 -3.93 5.60 3.72 0.25 -4.94 117.46 115.69 2q3r n PHE 118 Ca 0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.19 2q3r n PHE 118 Cb 0.18 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 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 -2.15 3.19 0.23 -1.08 -1.52 -0.74 -4.69 119.66 112.90 2q3r s GLN 119 Ca 0.24 -0.92 -0.30 0.00 -1.95 0.00 0.00 55.36 52.43 2q3r s GLN 119 Cb 0.19 -2.76 -0.10 0.00 -0.22 0.00 0.00 33.01 30.13 2q3r s GLN 119 CO 0.40 0.34 1.45 -2.14 -0.25 0.00 0.00 175.29 175.09 2q3r s PRO 120 N -3.97 4.27 -1.78 2.91 0.02 -1.26 -2.32 135.00 132.87 2q3r s PRO 120 Ca 0.36 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.66 2q3r s PRO 120 Cb -0.08 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.31 2q3r s PRO 120 CO 0.28 -0.44 0.00 0.09 -0.33 0.00 0.00 177.00 176.60 2q3r n ASN 121 N 2.68 -5.27 -1.10 2.53 3.02 -1.26 -1.94 115.26 113.92 2q3r n ASN 121 Ca 0.08 0.24 -0.14 0.00 -0.03 0.00 0.00 54.58 54.73 2q3r n ASN 121 Cb 0.40 -4.36 -0.06 0.00 -0.61 0.00 0.00 39.78 35.15 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 -0.85 1.40 3.69 7.41 0.00 -0.98 -4.96 105.19 110.90 2q3r n GLY 122 Ca -0.20 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.18 0.67 0.59 1.61 1.02 -0.82 -4.67 119.74 114.97 2q3r s LYS 123 Ca 0.00 0.60 -0.19 0.00 0.02 0.00 0.00 55.97 56.40 2q3r s LYS 123 Cb 0.00 -1.76 -0.03 0.00 -0.52 0.00 0.00 37.83 35.52 2q3r s LYS 123 CO 0.00 -2.59 1.19 0.00 -0.92 0.00 0.00 175.35 173.03 2q3r s ALA 124 N -2.96 2.55 0.85 5.17 0.00 -1.26 -4.29 121.76 121.81 2q3r s ALA 124 Ca 0.65 0.94 -0.11 0.00 0.00 0.00 0.00 51.96 53.44 2q3r s ALA 124 Cb -0.18 -3.43 0.10 0.00 0.00 0.00 0.00 23.12 19.61 2q3r s ALA 124 CO 0.57 -1.12 1.13 -2.14 0.00 0.00 0.00 175.76 174.20 2q3r s PRO 125 N -3.39 1.58 0.03 0.00 0.02 -1.26 -4.65 135.00 127.33 2q3r s PRO 125 Ca 0.76 1.41 0.04 0.00 0.02 0.00 0.00 61.00 63.23 2q3r s PRO 125 Cb -0.28 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.40 2q3r s PRO 125 CO 0.33 -2.19 -0.06 0.96 -0.33 0.00 0.00 177.00 175.71 2q3r s ILE 126 N -2.71 3.71 0.09 2.83 -4.36 -1.26 -0.29 121.20 119.20 2q3r s ILE 126 Ca 0.65 -0.87 -0.19 0.00 -0.26 0.00 0.00 60.65 59.97 2q3r s ILE 126 Cb -0.21 -2.66 0.04 0.00 1.25 0.00 0.00 42.46 40.89 2q3r s ILE 126 CO 0.56 0.30 0.47 -0.55 0.24 0.00 0.00 174.94 175.96 2q3r s SER 127 N -1.70 -0.35 0.35 4.36 0.15 -0.85 -2.71 113.70 112.94 2q3r s SER 127 Ca 0.19 -0.05 0.10 0.00 0.70 0.00 0.00 55.95 56.89 2q3r s SER 127 Cb -0.11 0.48 0.85 0.00 -1.71 0.00 0.00 66.02 65.53 2q3r s SER 127 CO 0.10 -0.78 1.83 0.00 1.20 0.00 0.00 173.24 175.59 2q3r n SER 129 N -4.62 3.07 -0.77 0.00 3.41 -1.26 -4.06 113.62 109.38 2q3r n SER 129 Ca 0.20 -2.86 0.09 0.00 -0.26 0.00 0.00 58.87 56.04 2q3r n SER 129 Cb 0.58 0.24 0.11 0.00 -0.26 0.00 0.00 64.21 64.88 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 -1.39 2.70 -4.68 4.04 5.75 -1.26 -3.96 116.55 117.75 2q3r n ASP 130 Ca -0.15 -1.79 -0.45 0.00 -0.01 0.00 0.00 54.79 52.39 2q3r n ASP 130 Cb 0.55 -0.09 -0.04 0.00 -1.03 0.00 0.00 41.12 40.51 2q3r n ASP 130 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2q3r n LYS 131 N 0.99 2.50 -2.10 0.11 5.02 -1.26 -4.41 118.16 119.02 2q3r n LYS 131 Ca 0.12 0.91 -0.36 0.00 -2.02 0.00 0.00 58.31 56.96 2q3r n LYS 131 Cb 0.45 -2.78 0.02 0.00 -0.02 0.00 0.00 35.03 32.70 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 3.20 3.30 -0.21 1.97 0.04 -1.26 -4.66 135.00 137.40 2q3r s PRO 132 Ca 0.86 1.84 -0.08 0.00 0.04 0.00 0.00 61.00 63.66 2q3r s PRO 132 Cb -0.57 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 2q3r s PRO 132 CO 0.43 -0.94 0.07 -1.17 0.04 0.00 0.00 177.00 175.43 2q3r s LEU 133 N -3.62 3.73 -1.34 -3.56 2.96 -1.26 -4.64 118.68 110.94 2q3r s LEU 133 Ca 0.72 -0.00 -0.08 0.00 -0.22 0.00 0.00 54.13 54.54 2q3r s LEU 133 Cb -0.30 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.43 2q3r s LEU 133 CO 0.35 0.10 0.48 0.23 -1.32 0.00 0.00 176.35 176.19 2q3r n MET 134 N 4.01 -2.26 0.00 1.98 2.81 -1.26 -4.39 117.12 118.01 2q3r n MET 134 Ca -0.16 0.35 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 2q3r n MET 134 Cb 0.52 -4.13 0.00 0.00 -0.71 0.00 0.00 33.22 28.90 2q3r n MET 134 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2q3r n PRO 135 N -4.44 0.00 -0.03 0.03 -0.04 -1.26 -0.92 135.00 128.35 2q3r n PRO 135 Ca -0.24 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.22 2q3r n PRO 135 Cb 0.65 -1.00 -0.14 0.00 -0.04 0.00 0.00 33.50 32.98 2q3r n PRO 135 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2q3r n GLN 136 N -0.42 0.66 -4.22 0.54 0.00 -1.26 -4.97 117.38 107.70 2q3r n GLN 136 Ca 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 57.00 56.68 2q3r n GLN 136 Cb 0.00 -1.60 -0.09 0.00 0.00 0.00 0.00 30.24 28.55 2q3r n GLN 136 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 2q3r s ILE 137 N -3.00 3.86 0.00 -0.39 -4.36 -0.09 -5.08 121.20 112.13 2q3r s ILE 137 Ca -0.07 -0.96 0.00 0.00 -0.26 0.00 0.00 60.65 59.36 2q3r s ILE 137 Cb 0.10 -2.79 0.00 0.00 1.25 0.00 0.00 42.46 41.01 2q3r s ILE 137 CO 0.85 0.19 0.00 0.54 0.24 0.00 0.00 174.94 176.76 2q3r n ARG 138 N 0.85 0.00 -1.44 0.37 3.00 -1.26 -1.58 116.66 116.60 2q3r n ARG 138 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.72 2q3r n ARG 138 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 2q3r n ARG 138 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2q3r n SER 139 N 0.00 0.01 -4.41 0.55 7.64 -1.15 -3.03 113.62 113.23 2q3r n SER 139 Ca 0.00 -0.72 -0.45 0.00 1.01 0.00 0.00 58.87 58.71 2q3r n SER 139 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 2q3r n SER 139 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2q3r s ASN 140 N -0.44 6.82 0.00 6.43 0.01 -1.26 -3.95 114.94 122.54 2q3r s ASN 140 Ca 0.00 -2.55 0.00 0.00 -0.71 0.00 0.00 52.86 49.60 2q3r s ASN 140 Cb 0.00 -2.33 0.00 0.00 0.41 0.00 0.00 41.25 39.33 2q3r s ASN 140 CO 0.00 -0.80 0.00 0.61 -1.51 0.00 0.00 177.10 175.40 2q3r n GLY 141 N 4.55 1.07 3.00 0.66 0.00 -1.26 -5.10 105.19 108.12 2q3r n GLY 141 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 2q3r n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2q3r s ILE 142 N -2.00 0.06 -1.50 -0.61 1.01 -1.25 -5.02 121.20 111.89 2q3r s ILE 142 Ca 0.00 -0.50 0.24 0.00 0.00 0.00 0.00 60.65 60.39 2q3r s ILE 142 Cb 0.00 -0.24 0.05 0.00 0.01 0.00 0.00 42.46 42.27 2q3r s ILE 142 CO 0.00 -0.27 1.29 -0.90 0.00 0.00 0.00 174.94 175.06 2q3r n ASP 143 N 2.12 1.14 -4.67 3.58 5.68 -1.26 -2.93 116.55 120.20 2q3r n ASP 143 Ca -0.19 -0.91 -0.42 0.00 -0.50 0.00 0.00 54.79 52.77 2q3r n ASP 143 Cb 0.57 0.41 -0.03 0.00 -1.14 0.00 0.00 41.12 40.92 2q3r n ASP 143 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2q3r n GLU 144 N -0.86 2.82 -1.57 0.11 2.13 -1.26 -4.80 120.64 117.21 2q3r n GLU 144 Ca 0.08 1.03 -0.47 0.00 0.66 0.00 0.00 57.16 58.46 2q3r n GLU 144 Cb 0.37 -2.97 -0.03 0.00 0.27 0.00 0.00 31.44 29.08 2q3r n GLU 144 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2q3r n ALA 145 N 6.90 -0.75 -0.18 4.31 0.00 -1.26 -3.44 120.51 126.10 2q3r n ALA 145 Ca 0.20 0.44 -0.07 0.00 0.00 0.00 0.00 53.44 54.00 2q3r n ALA 145 Cb 0.39 -1.99 0.02 0.00 0.00 0.00 0.00 19.45 17.87 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 2.70 0.60 -7.17 0.00 5.85 -1.20 -3.19 115.31 112.90 2q3r h LEU 146 Ca -0.41 -0.02 -0.70 0.00 0.84 0.00 0.00 57.88 57.60 2q3r h LEU 146 Cb 1.35 -0.15 -0.36 0.00 0.37 0.00 0.00 40.66 41.87 2q3r h LEU 146 CO 0.66 0.43 -0.10 0.49 -0.34 0.00 0.00 178.44 179.58 2q3r n PHE 147 N -4.72 3.98 -1.66 1.25 3.01 -1.26 -4.65 117.46 113.40 2q3r n PHE 147 Ca 0.03 -4.04 -0.60 0.00 1.01 0.00 0.00 57.45 53.85 2q3r n PHE 147 Cb 0.02 -1.06 -0.08 0.00 -0.01 0.00 0.00 39.48 38.35 2q3r n PHE 147 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2q3r n THR 148 N 2.07 0.10 -1.37 4.37 -2.24 -1.21 -4.18 114.28 111.82 2q3r n THR 148 Ca 0.23 -0.02 -0.45 0.00 -2.27 0.00 0.00 64.05 61.54 2q3r n THR 148 Cb 0.37 -0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 67.89 2q3r n THR 148 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2q3r n PRO 149 N 3.69 0.09 -2.92 -0.78 -0.02 -1.26 -4.62 135.00 129.19 2q3r n PRO 149 Ca 0.25 0.03 -0.26 0.00 -2.02 0.00 0.00 63.50 61.50 2q3r n PRO 149 Cb 0.07 -1.07 -0.00 0.00 -0.02 0.00 0.00 33.50 32.48 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 -1.06 3.51 -0.13 0.52 0.04 -1.26 -4.53 135.00 132.08 2q3r s PRO 150 Ca 0.62 -0.01 -0.18 0.00 0.04 0.00 0.00 61.00 61.46 2q3r s PRO 150 Cb -0.78 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 2q3r s PRO 150 CO 0.59 -0.08 0.49 0.50 0.04 0.00 0.00 177.00 178.55 2q3r s ARG 151 N -4.58 4.32 0.20 4.56 3.52 0.61 -4.52 118.95 123.05 2q3r s ARG 151 Ca 0.45 0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 56.20 2q3r s ARG 151 Cb -0.10 -3.46 -0.09 0.00 -1.56 0.00 0.00 34.95 29.74 2q3r s ARG 151 CO 0.41 0.10 1.38 0.50 -0.81 0.00 0.00 175.30 176.89 2q3r s ARG 152 N 0.80 4.33 -0.07 5.12 3.52 -1.25 -2.02 118.95 129.38 2q3r s ARG 152 Ca 0.26 2.16 -0.30 0.00 -0.13 0.00 0.00 55.73 57.72 2q3r s ARG 152 Cb -0.15 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.02 2q3r s ARG 152 CO 0.10 -0.36 1.49 -0.51 -0.81 0.00 0.00 175.30 175.21 2q3r s LEU 153 N 0.10 4.28 0.23 -0.88 1.43 -0.78 -4.93 118.68 118.14 2q3r s LEU 153 Ca 0.60 2.07 -0.30 0.00 -1.03 0.00 0.00 54.13 55.46 2q3r s LEU 153 Cb -0.39 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.19 2q3r s LEU 153 CO 0.38 -0.83 1.50 -0.83 0.23 0.00 0.00 176.35 176.80 2q3r s GLY 154 N 2.61 2.06 0.50 -3.19 0.00 -1.26 -4.81 107.32 103.23 2q3r s GLY 154 Ca 0.66 1.38 0.24 0.00 0.00 0.00 0.00 44.72 47.00 2q3r s GLY 154 CO 0.25 2.43 1.71 1.19 0.00 0.00 0.00 173.10 178.68 2q3r h ILE 155 N 3.66 0.00 0.00 0.90 2.10 -2.00 0.46 117.51 122.64 2q3r h ILE 155 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.49 2q3r h ILE 155 Cb 1.21 0.54 0.00 0.00 -1.09 0.00 0.00 36.82 37.48 2q3r h ILE 155 CO 0.82 0.00 0.00 -0.62 -1.08 0.00 0.00 178.15 177.27 2q3r n GLU 156 N -2.52 0.85 0.00 2.19 1.02 -1.26 -3.18 120.64 117.74 2q3r n GLU 156 Ca -0.02 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.17 2q3r n GLU 156 Cb 0.27 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.17 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 -1.06 3.11 -0.05 3.49 1.02 0.16 -4.72 120.64 122.59 2q3r n GLU 157 Ca 0.21 -0.31 -0.15 0.00 -0.02 0.00 0.00 57.16 56.89 2q3r n GLU 157 Cb 0.13 -0.97 -0.07 0.00 -0.02 0.00 0.00 31.44 30.51 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 0.54 1.34 -0.29 -3.67 2.04 -1.60 -2.89 117.51 112.98 2q3r h ILE 158 Ca 0.00 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.17 2q3r h ILE 158 Cb 0.25 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 2q3r h ILE 158 CO 0.00 0.52 0.18 -0.65 0.00 0.00 0.00 178.15 178.20 2q3r h PRO 159 N 0.26 0.38 -0.14 2.37 0.11 -1.85 -1.07 132.00 132.06 2q3r h PRO 159 Ca -0.01 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 2q3r h PRO 159 Cb 1.05 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 2q3r h PRO 159 CO 0.09 0.26 -0.01 0.78 -0.21 0.00 0.00 178.00 178.91 2q3r h GLY 160 N 0.41 0.29 1.26 -0.55 0.00 -1.86 -1.03 103.07 101.58 2q3r h GLY 160 Ca 0.11 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.22 2q3r h GLY 160 CO -0.02 0.20 0.50 -2.22 0.00 0.00 0.00 176.54 175.00 2q3r h ILE 161 N -0.01 1.20 0.00 2.60 2.04 -1.22 0.37 117.51 122.48 2q3r h ILE 161 Ca 0.04 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 2q3r h ILE 161 Cb 0.41 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 2q3r h ILE 161 CO 0.01 0.19 -0.18 0.58 0.00 0.00 0.00 178.15 178.75 2q3r h VAL 162 N 1.03 1.09 0.00 1.67 2.07 -0.98 0.53 116.25 121.65 2q3r h VAL 162 Ca 0.28 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2q3r h VAL 162 Cb -0.11 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2q3r h VAL 162 CO -0.06 0.18 -0.07 -1.13 0.02 0.00 0.00 177.57 176.51 2q3r h ASN 163 N 0.00 0.00 -0.64 0.57 -0.73 0.96 -3.03 115.58 112.71 2q3r h ASN 163 Ca -0.00 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.10 2q3r h ASN 163 Cb 0.33 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.89 2q3r h ASN 163 CO 0.02 0.07 0.13 0.44 -0.37 0.00 0.00 177.43 177.72 2q3r h ASP 164 N 0.00 1.01 0.06 1.15 3.32 0.15 -0.90 116.42 121.21 2q3r h ASP 164 Ca -0.00 -0.22 -0.20 0.00 0.02 0.00 0.00 57.03 56.63 2q3r h ASP 164 Cb 1.03 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.32 2q3r h ASP 164 CO 0.01 0.99 -0.72 -0.26 -1.72 0.00 0.00 179.24 177.54 2q3r h PHE 165 N 1.00 0.79 -0.83 4.55 -1.00 -1.45 -1.65 116.94 118.35 2q3r h PHE 165 Ca 0.20 -0.34 -0.02 0.00 2.81 0.00 0.00 57.97 60.63 2q3r h PHE 165 Cb 0.40 -0.12 -0.04 0.00 3.61 0.00 0.00 35.95 39.79 2q3r h PHE 165 CO 0.03 1.12 0.44 -0.09 -1.61 0.00 0.00 178.31 178.20 2q3r h ARG 166 N 0.41 1.17 0.13 1.51 2.43 -1.37 -2.12 114.38 116.53 2q3r h ARG 166 Ca -0.03 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 2q3r h ARG 166 Cb 1.32 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 2q3r h ARG 166 CO 0.14 0.87 -0.06 1.25 -1.51 0.00 0.00 179.97 180.65 2q3r h LEU 167 N 1.16 -0.14 -1.28 3.80 5.85 -1.09 -2.56 115.31 121.06 2q3r h LEU 167 Ca 0.29 -0.23 0.22 0.00 0.84 0.00 0.00 57.88 59.00 2q3r h LEU 167 Cb 0.05 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.03 2q3r h LEU 167 CO -0.04 0.16 0.62 0.00 -0.34 0.00 0.00 178.44 178.84 2q3r h ALA 168 N 0.37 2.01 -0.77 1.25 0.00 -1.19 0.87 119.26 121.81 2q3r h ALA 168 Ca -0.02 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2q3r h ALA 168 Cb 0.36 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2q3r h ALA 168 CO 0.03 -0.37 0.38 0.00 0.00 0.00 0.00 179.25 179.29 2q3r h ALA 169 N 1.63 0.99 -0.32 0.00 0.00 -1.08 -0.04 119.26 120.44 2q3r h ALA 169 Ca 0.55 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.33 2q3r h ALA 169 Cb 1.17 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2q3r h ALA 169 CO -0.29 0.54 0.18 -0.09 0.00 0.00 0.00 179.25 179.59 2q3r h ARG 170 N 1.08 0.36 0.00 0.00 9.65 0.11 -1.73 114.38 123.84 2q3r h ARG 170 Ca 0.26 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 59.08 2q3r h ARG 170 Cb 0.10 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 2q3r h ARG 170 CO -0.04 0.24 -0.19 -0.91 2.80 0.00 0.00 179.97 181.88 2q3r h ASN 171 N 0.37 0.00 -0.00 -3.80 4.21 -0.57 -1.28 115.58 114.50 2q3r h ASN 171 Ca 0.13 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.64 2q3r h ASN 171 Cb 0.01 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.21 2q3r h ASN 171 CO -0.06 0.19 -0.00 0.00 -1.29 0.00 0.00 177.43 176.26 2q3r h ALA 172 N 1.81 0.01 -0.78 -0.83 0.00 -0.22 -1.84 119.26 117.41 2q3r h ALA 172 Ca -0.00 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2q3r h ALA 172 Cb 0.48 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 2q3r h ALA 172 CO 0.02 -0.33 0.49 0.52 0.00 0.00 0.00 179.25 179.95 2q3r h MET 173 N -0.32 0.91 -0.92 0.00 2.86 -0.93 -1.58 114.93 114.95 2q3r h MET 173 Ca 0.00 -0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.66 2q3r h MET 173 Cb 0.33 -0.20 -0.06 0.00 0.06 0.00 0.00 31.60 31.72 2q3r h MET 173 CO 0.00 0.60 0.60 1.49 1.06 0.00 0.00 176.91 180.66 2q3r h GLU 174 N 0.93 1.00 0.00 1.72 4.81 -1.03 0.50 114.58 122.52 2q3r h GLU 174 Ca 0.32 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2q3r h GLU 174 Cb 0.06 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.22 2q3r h GLU 174 CO -0.13 0.66 0.00 0.00 -0.73 0.00 0.00 179.01 178.81 2q3r n ALA 175 N -2.39 2.10 -0.28 2.92 0.00 -0.68 -4.91 120.51 117.26 2q3r n ALA 175 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2q3r n ALA 175 Cb 0.21 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 0.97 0.85 3.75 0.00 0.00 0.18 -4.15 105.19 106.78 2q3r n GLY 176 Ca 0.06 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 2.34 0.25 1.61 0.40 -0.77 -4.92 117.98 114.89 2q3r s PHE 177 Ca 0.00 1.46 0.10 0.00 -0.60 0.00 0.00 56.93 57.89 2q3r s PHE 177 Cb 0.00 -3.63 0.26 0.00 0.51 0.00 0.00 43.02 40.16 2q3r s PHE 177 CO 0.00 -2.53 1.56 -0.44 0.70 0.00 0.00 175.22 174.50 2q3r h ASP 178 N 1.15 0.01 -1.52 1.36 3.32 -1.55 -3.42 116.42 115.78 2q3r h ASP 178 Ca -0.51 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 56.56 2q3r h ASP 178 Cb 1.30 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.85 2q3r h ASP 178 CO 0.56 0.69 0.17 0.61 -1.72 0.00 0.00 179.24 179.54 2q3r n GLY 179 N 0.42 1.31 2.99 2.75 0.00 -1.16 -4.91 105.19 106.60 2q3r n GLY 179 Ca -0.01 -1.05 -0.18 0.00 0.00 0.00 0.00 46.02 44.78 2q3r n GLY 179 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2q3r s VAL 180 N -2.52 0.58 -0.23 1.61 1.01 -1.01 -1.13 120.40 118.72 2q3r s VAL 180 Ca 0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 2q3r s VAL 180 Cb -0.01 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.88 2q3r s VAL 180 CO 0.03 0.17 -0.07 -0.70 0.00 0.00 0.00 175.10 174.53 2q3r s GLU 181 N -0.12 3.08 -0.24 2.72 2.12 -0.45 -0.98 118.70 124.83 2q3r s GLU 181 Ca 0.02 -0.82 -0.29 0.00 0.36 0.00 0.00 54.97 54.24 2q3r s GLU 181 Cb -0.03 -2.95 0.00 0.00 0.26 0.00 0.00 34.13 31.41 2q3r s GLU 181 CO -0.00 -0.30 1.15 0.42 -0.54 0.00 0.00 175.26 175.99 2q3r s ILE 182 N 1.39 4.45 -1.07 -3.70 1.01 0.28 -0.64 121.20 122.91 2q3r s ILE 182 Ca 0.03 1.72 -0.22 0.00 0.00 0.00 0.00 60.65 62.18 2q3r s ILE 182 Cb -0.15 -4.22 0.02 0.00 0.01 0.00 0.00 42.46 38.12 2q3r s ILE 182 CO -0.05 -0.27 1.68 -2.28 0.00 0.00 0.00 174.94 174.02 2q3r s HIS 183 N 3.55 2.36 -0.40 3.97 2.46 0.10 -0.46 115.29 126.87 2q3r s HIS 183 Ca 0.49 -0.54 0.05 0.00 0.47 0.00 0.00 55.06 55.54 2q3r s HIS 183 Cb -0.17 -4.49 0.63 0.00 -0.13 0.00 0.00 32.58 28.42 2q3r s HIS 183 CO 0.13 -1.79 1.79 0.41 -2.47 0.00 0.00 174.74 172.81 2q3r n GLY 184 N 6.44 4.60 0.00 1.59 0.00 0.14 -4.46 105.19 113.50 2q3r n GLY 184 Ca 0.39 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.13 0.00 -4.24 4.61 0.00 -0.77 -4.02 120.51 114.97 2q3r n ALA 185 Ca 0.52 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.62 2q3r n ALA 185 Cb 1.49 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.89 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 -1.13 -1.50 -0.64 0.00 3.02 -1.26 -2.20 115.26 111.55 2q3r n ASN 186 Ca 0.00 -1.11 -0.08 0.00 -0.03 0.00 0.00 54.58 53.36 2q3r n ASN 186 Cb 0.00 -2.39 -0.04 0.00 -0.61 0.00 0.00 39.78 36.74 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 -1.71 0.90 0.00 7.41 0.00 -1.24 -4.76 105.19 105.79 2q3r n GLY 187 Ca -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2q3r n GLY 187 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2q3r n TYR 188 N -2.38 0.00 0.00 1.61 4.01 -0.93 -4.51 117.16 114.95 2q3r n TYR 188 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2q3r n TYR 188 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 2q3r n TYR 188 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 2q3r n LEU 189 N 0.00 0.00 -0.13 7.72 7.94 0.20 0.67 117.00 133.39 2q3r n LEU 189 Ca 0.00 0.78 -0.04 0.00 -1.11 0.00 0.00 56.01 55.64 2q3r n LEU 189 Cb 0.00 -0.28 0.04 0.00 0.53 0.00 0.00 43.42 43.71 2q3r n LEU 189 CO 0.00 -0.28 0.85 0.40 -1.11 0.00 0.00 177.39 177.25 2q3r h ILE 190 N 0.00 0.66 -0.94 1.96 2.04 -1.83 0.84 117.51 120.24 2q3r h ILE 190 Ca 0.00 -0.04 0.11 0.00 1.00 0.00 0.00 64.86 65.93 2q3r h ILE 190 Cb 0.00 0.54 -0.08 0.00 -0.74 0.00 0.00 36.82 36.54 2q3r h ILE 190 CO 0.00 0.02 0.58 -0.78 0.00 0.00 0.00 178.15 177.97 2q3r h ASP 191 N 0.11 0.84 -0.67 1.72 3.58 -1.67 0.14 116.42 120.48 2q3r h ASP 191 Ca 0.22 0.05 0.09 0.00 0.42 0.00 0.00 57.03 57.80 2q3r h ASP 191 Cb 0.32 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.20 2q3r h ASP 191 CO -0.36 0.46 0.44 1.56 -2.88 0.00 0.00 179.24 178.46 2q3r h GLN 192 N 0.93 0.56 0.10 0.28 4.20 0.27 -0.96 115.11 120.49 2q3r h GLN 192 Ca 0.46 -0.03 -0.26 0.00 0.06 0.00 0.00 58.65 58.88 2q3r h GLN 192 Cb 0.44 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 2q3r h GLN 192 CO -0.26 0.37 -1.19 0.74 -0.67 0.00 0.00 178.83 177.82 2q3r h PHE 193 N 0.57 0.40 -0.07 2.96 -1.00 -0.43 -3.32 116.94 116.06 2q3r h PHE 193 Ca 0.30 -0.29 -0.20 0.00 2.81 0.00 0.00 57.97 60.59 2q3r h PHE 193 Cb 0.43 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 39.97 2q3r h PHE 193 CO -0.00 1.22 -0.77 0.52 -1.61 0.00 0.00 178.31 177.67 2q3r h MET 194 N 0.06 0.45 -6.21 1.51 2.86 -0.07 -3.43 114.93 110.11 2q3r h MET 194 Ca -0.11 -0.39 -0.56 0.00 -2.06 0.00 0.00 59.70 56.58 2q3r h MET 194 Cb 1.92 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 33.63 2q3r h MET 194 CO 0.19 1.03 0.71 0.15 1.06 0.00 0.00 176.91 180.05 2q3r s LYS 195 N -3.58 4.34 0.36 1.72 -0.14 -0.45 -4.84 119.74 117.15 2q3r s LYS 195 Ca -0.06 1.50 0.06 0.00 -1.36 0.00 0.00 55.97 56.11 2q3r s LYS 195 Cb 0.10 -3.60 0.68 0.00 -1.68 0.00 0.00 37.83 33.33 2q3r s LYS 195 CO 0.85 -0.48 1.91 0.38 -0.76 0.00 0.00 175.35 177.25 2q3r h ASP 196 N 7.44 0.41 0.84 2.83 3.04 -1.85 0.39 116.42 129.53 2q3r h ASP 196 Ca -0.28 -0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.44 2q3r h ASP 196 Cb 1.12 -0.11 0.00 0.00 -1.04 0.00 0.00 39.33 39.31 2q3r h ASP 196 CO 0.91 0.49 0.00 0.71 -2.04 0.00 0.00 179.24 179.30 2q3r h THR 197 N 0.43 0.00 0.00 1.15 1.35 -1.93 -3.27 112.91 110.64 2q3r h THR 197 Ca 0.09 -0.30 -0.29 0.00 -0.55 0.00 0.00 66.41 65.37 2q3r h THR 197 Cb 0.30 1.10 -0.05 0.00 -1.73 0.00 0.00 68.15 67.77 2q3r h THR 197 CO 0.01 0.00 -2.08 0.52 -0.25 0.00 0.00 175.52 173.71 2q3r n VAL 198 N -2.39 1.09 -2.86 6.82 0.31 -0.53 -4.90 118.33 115.86 2q3r n VAL 198 Ca 0.02 -0.42 -0.43 0.00 -0.01 0.00 0.00 64.34 63.50 2q3r n VAL 198 Cb 0.26 -1.16 -0.04 0.00 -0.91 0.00 0.00 33.84 31.98 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 -5.83 6.37 -0.32 4.52 3.84 0.13 -4.54 114.94 119.12 2q3r s ASN 199 Ca -0.25 -0.26 0.09 0.00 0.21 0.00 0.00 52.86 52.65 2q3r s ASN 199 Cb 0.07 -2.43 0.56 0.00 -0.55 0.00 0.00 41.25 38.89 2q3r s ASN 199 CO 0.44 -1.15 1.57 -0.90 -2.79 0.00 0.00 177.10 174.28 2q3r n ASP 200 N 7.29 3.00 -4.76 -4.21 5.68 -1.26 -4.66 116.55 117.62 2q3r n ASP 200 Ca 0.02 -3.64 -0.40 0.00 -0.50 0.00 0.00 54.79 50.28 2q3r n ASP 200 Cb 0.48 -0.68 -0.04 0.00 -1.14 0.00 0.00 41.12 39.74 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 -3.21 4.49 -0.24 0.11 0.52 -1.26 -4.94 118.95 114.42 2q3r s ARG 201 Ca 0.48 1.80 0.12 0.00 -0.52 0.00 0.00 55.73 57.61 2q3r s ARG 201 Cb 0.42 -3.03 0.51 0.00 0.52 0.00 0.00 34.95 33.36 2q3r s ARG 201 CO 0.04 0.08 1.44 0.25 0.02 0.00 0.00 175.30 177.13 2q3r n THR 202 N 0.86 2.43 -2.88 0.02 -2.24 -1.26 -2.03 114.28 109.18 2q3r n THR 202 Ca 0.00 -2.35 0.00 0.00 -2.27 0.00 0.00 64.05 59.44 2q3r n THR 202 Cb 0.45 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.89 1.74 0.13 3.42 3.85 -1.26 -5.01 116.55 118.53 2q3r n ASP 203 Ca 0.28 -0.01 0.12 0.00 -0.71 0.00 0.00 54.79 54.47 2q3r n ASP 203 Cb 0.97 0.00 0.50 0.00 -1.35 0.00 0.00 41.12 41.24 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 -0.00 0.20 -0.49 0.11 0.28 -1.26 -2.63 120.64 116.85 2q3r n GLU 204 Ca 0.00 0.43 0.08 0.00 -0.16 0.00 0.00 57.16 57.52 2q3r n GLU 204 Cb 0.00 -1.89 0.30 0.00 1.43 0.00 0.00 31.44 31.29 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 -2.26 1.19 -3.88 -1.84 4.01 -1.26 -4.50 117.16 108.62 2q3r n TYR 205 Ca 0.02 -0.49 -0.03 0.00 -0.16 0.00 0.00 57.90 57.24 2q3r n TYR 205 Cb 0.23 -0.18 0.01 0.00 -0.31 0.00 0.00 39.34 39.09 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 -0.86 0.06 0.00 2.72 0.00 -1.08 -4.11 107.32 104.05 2q3r s GLY 206 Ca 0.43 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.91 2q3r s GLY 206 CO 0.22 2.50 0.00 0.61 0.00 0.00 0.00 173.10 176.44 2q3r n GLY 207 N -0.70 0.69 3.53 0.20 0.00 -0.86 -4.27 105.19 103.78 2q3r n GLY 207 Ca -0.03 0.00 -0.07 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 -2.92 -0.30 0.15 1.61 1.04 -1.26 -5.01 113.70 107.02 2q3r s SER 208 Ca 0.00 -0.00 -0.18 0.00 0.48 0.00 0.00 55.95 56.25 2q3r s SER 208 Cb 0.00 0.31 0.04 0.00 0.10 0.00 0.00 66.02 66.48 2q3r s SER 208 CO 0.00 -0.51 1.69 0.25 0.98 0.00 0.00 173.24 175.66 2q3r h LEU 209 N 2.00 -0.22 0.39 2.42 5.85 -1.95 0.57 115.31 124.37 2q3r h LEU 209 Ca -0.18 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2q3r h LEU 209 Cb 1.22 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 2q3r h LEU 209 CO 0.28 -0.07 -0.24 1.56 -0.34 0.00 0.00 178.44 179.63 2q3r h GLN 210 N 0.04 -0.59 -0.60 1.25 4.20 -1.98 -1.51 115.11 115.92 2q3r h GLN 210 Ca 0.15 0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.98 2q3r h GLN 210 Cb 0.22 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 2q3r h GLN 210 CO -0.29 -0.39 0.40 -0.91 -0.67 0.00 0.00 178.83 176.97 2q3r h ASN 211 N -0.61 0.44 0.18 1.46 4.21 -1.72 -1.74 115.58 117.80 2q3r h ASN 211 Ca -0.04 0.01 -0.16 0.00 1.21 0.00 0.00 56.30 57.31 2q3r h ASN 211 Cb 0.50 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.61 2q3r h ASN 211 CO 0.04 0.28 -0.62 0.03 -1.29 0.00 0.00 177.43 175.87 2q3r h ARG 212 N 0.50 0.43 -0.00 0.81 3.08 -0.46 -2.99 114.38 115.75 2q3r h ARG 212 Ca 0.27 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2q3r h ARG 212 Cb 0.41 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2q3r h ARG 212 CO -0.08 0.92 -0.10 0.00 -1.07 0.00 0.00 179.97 179.64 2q3r h LYS 214 N 0.64 0.35 0.67 0.00 3.64 -1.19 -1.39 116.57 119.28 2q3r h LYS 214 Ca 0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2q3r h LYS 214 Cb 0.35 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2q3r h LYS 214 CO 0.00 0.23 -0.32 0.35 -2.27 0.00 0.00 179.45 177.44 2q3r h PHE 215 N 0.36 -0.83 -0.48 1.91 3.57 -1.76 -1.03 116.94 118.67 2q3r h PHE 215 Ca 0.18 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.69 2q3r h PHE 215 Cb 0.26 0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 2q3r h PHE 215 CO -0.00 -0.50 0.32 -1.00 -2.23 0.00 0.00 178.31 174.90 2q3r h PRO 216 N -1.20 0.52 -0.39 6.41 0.13 -1.77 -1.84 132.00 133.86 2q3r h PRO 216 Ca -0.09 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.91 2q3r h PRO 216 Cb 0.70 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 2q3r h PRO 216 CO 0.15 0.35 -0.15 -0.07 -0.23 0.00 0.00 178.00 178.05 2q3r h LEU 217 N 0.54 0.81 0.00 1.56 3.38 -1.25 0.20 115.31 120.54 2q3r h LEU 217 Ca 0.20 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2q3r h LEU 217 Cb 0.11 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2q3r h LEU 217 CO -0.05 1.01 0.00 -0.62 0.09 0.00 0.00 178.44 178.87 2q3r n GLU 218 N -4.29 0.11 -0.10 1.13 1.02 -0.40 -0.28 120.64 117.82 2q3r n GLU 218 Ca -0.02 0.21 -0.19 0.00 -0.02 0.00 0.00 57.16 57.14 2q3r n GLU 218 Cb 0.39 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.23 2q3r n GLU 218 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2q3r n ILE 219 N -1.28 1.15 0.29 -3.67 5.41 -0.60 -3.34 119.36 117.32 2q3r n ILE 219 Ca 0.03 -0.35 0.17 0.00 1.00 0.00 0.00 62.75 63.60 2q3r n ILE 219 Cb 0.06 -1.56 0.88 0.00 -0.71 0.00 0.00 39.64 38.31 2q3r n ILE 219 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2q3r h VAL 220 N -0.46 0.32 0.00 1.39 2.07 -0.18 -0.43 116.25 118.95 2q3r h VAL 220 Ca -0.50 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 2q3r h VAL 220 Cb 1.55 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 32.55 2q3r h VAL 220 CO -0.23 0.05 -0.02 -0.78 0.02 0.00 0.00 177.57 176.62 2q3r h ASP 221 N 0.00 0.00 -0.19 0.57 3.58 -0.83 -3.20 116.42 116.34 2q3r h ASP 221 Ca -0.00 -0.87 -0.01 0.00 0.42 0.00 0.00 57.03 56.57 2q3r h ASP 221 Cb 0.23 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 2q3r h ASP 221 CO 0.01 0.94 0.08 0.00 -2.88 0.00 0.00 179.24 177.39 2q3r h ALA 222 N -0.13 0.25 -0.48 -0.78 0.00 -1.47 -2.65 119.26 114.00 2q3r h ALA 222 Ca -0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2q3r h ALA 222 Cb 0.88 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2q3r h ALA 222 CO -0.00 -0.15 0.16 0.28 0.00 0.00 0.00 179.25 179.54 2q3r h VAL 223 N 0.16 1.22 0.00 0.00 2.07 -1.28 -2.24 116.25 116.19 2q3r h VAL 223 Ca 0.06 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 2q3r h VAL 223 Cb 0.18 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2q3r h VAL 223 CO -0.01 0.27 -0.03 0.00 0.02 0.00 0.00 177.57 177.83 2q3r h ALA 224 N 1.02 1.73 0.05 1.67 0.00 -1.54 -1.75 119.26 120.44 2q3r h ALA 224 Ca 0.16 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 2q3r h ALA 224 Cb 0.25 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.05 2q3r h ALA 224 CO -0.01 0.03 -0.61 0.87 0.00 0.00 0.00 179.25 179.53 2q3r h LYS 225 N 0.00 0.32 0.85 0.00 1.57 -1.08 0.97 116.57 119.20 2q3r h LYS 225 Ca -0.00 -0.42 -0.04 0.00 -1.87 0.00 0.00 60.65 58.32 2q3r h LYS 225 Cb 0.05 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2q3r h LYS 225 CO 0.00 1.13 -0.47 1.49 -0.57 0.00 0.00 179.45 181.03 2q3r h GLU 226 N -0.29 -1.18 -0.28 3.15 4.57 -0.90 -3.33 114.58 116.32 2q3r h GLU 226 Ca -0.09 0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2q3r h GLU 226 Cb 1.39 0.27 0.00 0.00 -0.16 0.00 0.00 28.75 30.24 2q3r h GLU 226 CO 0.12 -0.79 0.00 0.44 -1.18 0.00 0.00 179.01 177.60 2q3r n ILE 227 N -5.63 0.49 0.00 2.32 -5.35 -0.71 -5.06 119.36 105.43 2q3r n ILE 227 Ca -0.15 -0.75 0.00 0.00 -0.27 0.00 0.00 62.75 61.58 2q3r n ILE 227 Cb 0.50 0.94 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 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 1.04 0.75 0.19 3.28 0.00 0.32 -4.67 105.19 106.09 2q3r n GLY 228 Ca 0.14 -1.61 -0.15 0.00 0.00 0.00 0.00 46.02 44.40 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 0.60 0.00 1.61 0.13 -1.82 -3.26 132.00 129.26 2q3r h PRO 229 Ca 0.00 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2q3r h PRO 229 Cb 0.00 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.19 2q3r h PRO 229 CO 0.00 1.03 0.00 -0.40 -0.23 0.00 0.00 178.00 178.40 2q3r n ASP 230 N -4.24 0.00 0.00 1.44 3.85 -1.26 -0.05 116.55 116.30 2q3r n ASP 230 Ca -0.06 -0.17 0.00 0.00 -0.71 0.00 0.00 54.79 53.84 2q3r n ASP 230 Cb 0.55 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.32 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 -0.76 -0.68 -4.01 0.11 1.74 -1.23 -4.60 116.66 107.23 2q3r n ARG 231 Ca 0.01 -0.35 -0.35 0.00 -0.77 0.00 0.00 57.85 56.39 2q3r n ARG 231 Cb 0.01 -0.85 -0.09 0.00 -1.02 0.00 0.00 32.46 30.50 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 -0.00 4.90 0.34 1.55 1.01 0.93 -2.39 120.40 126.73 2q3r s VAL 232 Ca 0.00 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.01 2q3r s VAL 232 Cb 0.00 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 2q3r s VAL 232 CO 0.00 0.51 0.08 -0.83 0.00 0.00 0.00 175.10 174.86 2q3r s GLY 233 N -0.06 2.16 -0.19 4.51 0.00 -0.16 -0.56 107.32 113.01 2q3r s GLY 233 Ca 0.07 -1.84 -0.15 0.00 0.00 0.00 0.00 44.72 42.81 2q3r s GLY 233 CO 0.01 -1.80 0.49 -1.50 0.00 0.00 0.00 173.10 170.30 2q3r s ILE 234 N -3.33 -0.01 -0.20 0.90 2.07 -1.16 -0.56 121.20 118.92 2q3r s ILE 234 Ca 0.34 0.03 -0.09 0.00 -1.41 0.00 0.00 60.65 59.52 2q3r s ILE 234 Cb 0.07 -0.70 -0.05 0.00 0.13 0.00 0.00 42.46 41.92 2q3r s ILE 234 CO 0.15 0.01 0.10 -0.60 -1.91 0.00 0.00 174.94 172.69 2q3r s ARG 235 N 0.78 4.08 0.10 3.50 3.52 0.39 -1.15 118.95 130.18 2q3r s ARG 235 Ca -0.04 -0.28 0.06 0.00 -0.13 0.00 0.00 55.73 55.34 2q3r s ARG 235 Cb -0.05 -3.34 -0.03 0.00 -1.56 0.00 0.00 34.95 29.97 2q3r s ARG 235 CO -0.06 0.27 -0.15 -0.51 -0.81 0.00 0.00 175.30 174.04 2q3r s LEU 236 N 0.42 2.35 -0.41 -0.88 1.43 0.23 0.26 118.68 122.08 2q3r s LEU 236 Ca 0.06 -0.73 0.09 0.00 -1.03 0.00 0.00 54.13 52.51 2q3r s LEU 236 Cb -0.12 -0.56 0.28 0.00 0.03 0.00 0.00 46.19 45.82 2q3r s LEU 236 CO -0.01 -0.11 0.70 -1.54 0.23 0.00 0.00 176.35 175.63 2q3r n SER 237 N 0.84 -0.41 0.31 2.29 3.41 -1.26 -2.81 113.62 115.99 2q3r n SER 237 Ca -0.18 -2.99 0.18 0.00 -0.26 0.00 0.00 58.87 55.63 2q3r n SER 237 Cb 0.56 0.04 1.02 0.00 -0.26 0.00 0.00 64.21 65.57 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 3.62 0.00 -0.55 4.33 0.13 -1.89 -2.40 132.00 135.23 2q3r h PRO 238 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2q3r h PRO 238 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2q3r h PRO 238 CO 0.42 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.38 2q3r n PHE 239 N -3.50 0.73 -4.13 1.56 3.01 -1.26 -4.51 117.46 109.35 2q3r n PHE 239 Ca -0.02 -0.36 -0.22 0.00 1.01 0.00 0.00 57.45 57.85 2q3r n PHE 239 Cb 0.12 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.54 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 -1.27 3.51 -0.09 4.37 0.00 -0.90 -4.85 121.76 122.53 2q3r s ALA 240 Ca 0.42 -1.49 0.13 0.00 0.00 0.00 0.00 51.96 51.02 2q3r s ALA 240 Cb 0.23 -1.17 0.22 0.00 0.00 0.00 0.00 23.12 22.40 2q3r s ALA 240 CO 0.31 0.24 1.11 -0.40 0.00 0.00 0.00 175.76 177.01 2q3r n ASP 241 N -1.13 1.45 -4.62 0.00 5.68 -1.26 -4.14 116.55 112.52 2q3r n ASP 241 Ca -0.07 -2.76 -0.52 0.00 -0.50 0.00 0.00 54.79 50.93 2q3r n ASP 241 Cb 0.58 -0.36 -0.06 0.00 -1.14 0.00 0.00 41.12 40.14 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 -0.82 1.71 -3.33 2.11 9.36 -1.26 -1.66 117.16 123.28 2q3r n TYR 242 Ca 0.11 0.56 -0.16 0.00 3.32 0.00 0.00 57.90 61.73 2q3r n TYR 242 Cb 0.70 -2.39 0.07 0.00 -0.63 0.00 0.00 39.34 37.09 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 3.30 -3.34 -4.19 2.98 2.81 -1.26 -3.26 117.12 114.15 2q3r n MET 243 Ca 0.20 0.84 -0.35 0.00 -1.81 0.00 0.00 57.70 56.58 2q3r n MET 243 Cb 0.19 -5.75 -0.05 0.00 -0.71 0.00 0.00 33.22 26.90 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 -3.52 -0.96 -0.69 0.03 1.02 -0.66 -4.85 120.64 111.01 2q3r n GLU 244 Ca -0.13 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2q3r n GLU 244 Cb 0.63 -3.36 0.20 0.00 -0.02 0.00 0.00 31.44 28.90 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 -2.66 2.34 -4.76 1.62 3.41 -0.89 -4.79 113.62 107.88 2q3r n SER 245 Ca -0.25 -3.73 -0.34 0.00 -0.26 0.00 0.00 58.87 54.29 2q3r n SER 245 Cb 0.65 -0.59 0.04 0.00 -0.26 0.00 0.00 64.21 64.05 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 -2.72 2.40 0.02 5.00 0.00 -1.26 -4.52 107.32 106.24 2q3r s GLY 246 Ca 0.42 0.73 0.05 0.00 0.00 0.00 0.00 44.72 45.92 2q3r s GLY 246 CO -0.01 1.10 -0.12 -0.35 0.00 0.00 0.00 173.10 173.71 2q3r s ASP 247 N -2.14 4.24 0.50 1.64 -1.08 -1.26 -3.73 116.67 114.85 2q3r s ASP 247 Ca 0.71 -0.26 0.33 0.00 -0.52 0.00 0.00 52.55 52.81 2q3r s ASP 247 Cb -0.24 -0.87 1.53 0.00 -1.46 0.00 0.00 42.92 41.88 2q3r s ASP 247 CO 0.36 0.27 2.00 0.71 0.52 0.00 0.00 175.17 179.04 2q3r h THR 248 N 3.87 0.00 -1.36 1.71 1.35 -1.96 -3.33 112.91 113.19 2q3r h THR 248 Ca -0.48 -0.30 -0.33 0.00 -0.55 0.00 0.00 66.41 64.75 2q3r h THR 248 Cb 1.16 1.20 -0.24 0.00 -1.73 0.00 0.00 68.15 68.54 2q3r h THR 248 CO 0.51 0.00 -0.69 -3.20 -0.25 0.00 0.00 175.52 171.89 2q3r n ASN 249 N -2.86 -2.16 0.30 5.36 2.85 -1.26 -5.00 115.26 112.48 2q3r n ASN 249 Ca -0.00 -2.79 0.17 0.00 -0.11 0.00 0.00 54.58 51.85 2q3r n ASN 249 Cb 0.21 0.86 0.93 0.00 1.24 0.00 0.00 39.78 43.02 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 4.96 0.00 -0.22 1.20 0.13 -1.79 -2.60 132.00 133.67 2q3r h PRO 250 Ca 0.09 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.02 2q3r h PRO 250 Cb 1.02 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.15 2q3r h PRO 250 CO 0.20 0.04 -0.67 0.78 -0.23 0.00 0.00 178.00 178.12 2q3r h GLY 251 N 0.49 0.93 1.28 1.56 0.00 -1.92 -2.89 103.07 102.52 2q3r h GLY 251 Ca -0.00 -1.20 -0.18 0.00 0.00 0.00 0.00 47.33 45.95 2q3r h GLY 251 CO 0.01 1.07 -0.59 0.00 0.00 0.00 0.00 176.54 177.02 2q3r h ALA 252 N 0.61 0.52 0.37 3.60 0.00 -1.89 -2.77 119.26 119.70 2q3r h ALA 252 Ca -0.02 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2q3r h ALA 252 Cb 1.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2q3r h ALA 252 CO 0.14 0.69 -0.25 1.25 0.00 0.00 0.00 179.25 181.08 2q3r h LEU 253 N 0.56 -0.64 0.29 0.00 5.85 -1.56 -1.58 115.31 118.23 2q3r h LEU 253 Ca 0.00 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2q3r h LEU 253 Cb 1.18 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 2q3r h LEU 253 CO 0.12 -0.39 -0.32 1.23 -0.34 0.00 0.00 178.44 178.74 2q3r h GLY 254 N -0.61 -1.08 -0.14 3.75 0.00 -1.51 -1.59 103.07 101.89 2q3r h GLY 254 Ca -0.04 0.50 0.11 0.00 0.00 0.00 0.00 47.33 47.91 2q3r h GLY 254 CO 0.02 -0.34 -0.15 -2.00 0.00 0.00 0.00 176.54 174.08 2q3r h LEU 255 N -0.62 -0.54 -0.84 3.11 5.85 -1.53 -0.16 115.31 120.57 2q3r h LEU 255 Ca -0.04 0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.94 2q3r h LEU 255 Cb 0.54 0.36 -0.07 0.00 0.37 0.00 0.00 40.66 41.86 2q3r h LEU 255 CO -0.06 -0.19 0.50 0.22 -0.34 0.00 0.00 178.44 178.57 2q3r h TYR 256 N -0.01 0.92 -0.25 1.25 3.20 -1.12 -1.04 116.97 119.92 2q3r h TYR 256 Ca 0.27 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.13 2q3r h TYR 256 Cb 0.42 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 2q3r h TYR 256 CO -0.47 0.42 -0.00 0.52 -1.64 0.00 0.00 178.16 176.98 2q3r h MET 257 N 0.88 0.45 0.03 1.82 2.86 -0.06 -0.10 114.93 120.81 2q3r h MET 257 Ca 0.39 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2q3r h MET 257 Cb 0.28 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 2q3r h MET 257 CO -0.21 0.62 -0.05 0.00 1.06 0.00 0.00 176.91 178.33 2q3r h ALA 258 N 0.81 -0.08 -0.27 6.32 0.00 -0.77 0.62 119.26 125.90 2q3r h ALA 258 Ca 0.07 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2q3r h ALA 258 Cb 0.42 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2q3r h ALA 258 CO 0.01 -0.56 0.07 0.93 0.00 0.00 0.00 179.25 179.70 2q3r h GLU 259 N -0.11 0.17 -0.27 0.00 5.08 -1.19 -2.03 114.58 116.24 2q3r h GLU 259 Ca 0.01 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2q3r h GLU 259 Cb 0.11 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2q3r h GLU 259 CO -0.03 0.11 0.18 0.77 -1.00 0.00 0.00 179.01 179.04 2q3r h SER 260 N 0.17 0.27 0.00 1.42 0.02 -0.62 -1.43 113.55 113.39 2q3r h SER 260 Ca 0.12 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2q3r h SER 260 Cb 0.11 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2q3r h SER 260 CO -0.15 0.19 0.00 0.18 -1.14 0.00 0.00 176.83 175.92 2q3r n LEU 261 N -4.50 0.00 0.03 5.07 4.77 0.18 -3.40 117.00 119.15 2q3r n LEU 261 Ca 0.01 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.79 2q3r n LEU 261 Cb 0.10 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.05 2q3r n LEU 261 CO 0.35 0.00 -0.10 0.78 -1.33 0.00 0.00 177.39 177.08 2q3r h ASN 262 N 0.00 0.41 -0.98 -1.43 2.35 -1.22 -2.96 115.58 111.75 2q3r h ASN 262 Ca 0.00 -0.91 0.30 0.00 -0.55 0.00 0.00 56.30 55.14 2q3r h ASN 262 Cb 0.00 -0.13 -0.15 0.00 0.05 0.00 0.00 38.32 38.09 2q3r h ASN 262 CO 0.00 1.45 0.51 0.50 -1.65 0.00 0.00 177.43 178.24 2q3r h LYS 263 N -0.39 0.32 0.00 0.81 3.64 -1.72 0.50 116.57 119.71 2q3r h LYS 263 Ca -0.19 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.06 2q3r h LYS 263 Cb 1.65 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.38 2q3r h LYS 263 CO 0.11 0.21 -0.60 1.88 -2.27 0.00 0.00 179.45 178.77 2q3r h TYR 264 N 0.32 0.00 -6.14 1.91 -1.99 -1.76 -3.48 116.97 105.83 2q3r h TYR 264 Ca 0.69 0.00 -0.44 0.00 2.00 0.00 0.00 58.73 60.98 2q3r h TYR 264 Cb 1.53 0.00 0.03 0.00 2.00 0.00 0.00 36.73 40.28 2q3r h TYR 264 CO -0.06 0.51 -0.77 0.41 -0.00 0.00 0.00 178.16 178.25 2q3r n GLY 265 N 1.24 -0.43 3.66 3.88 0.00 0.17 -4.81 105.19 108.90 2q3r n GLY 265 Ca 0.01 0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.42 1.87 0.08 -0.61 -4.36 -1.26 -4.33 121.20 109.17 2q3r s ILE 266 Ca 0.42 0.00 -0.24 0.00 -0.26 0.00 0.00 60.65 60.57 2q3r s ILE 266 Cb -0.21 -2.52 -0.16 0.00 1.25 0.00 0.00 42.46 40.82 2q3r s ILE 266 CO 0.81 0.00 1.68 0.25 0.24 0.00 0.00 174.94 177.91 2q3r h LEU 267 N -2.11 -0.03 -7.66 0.37 5.85 0.10 -3.43 115.31 108.40 2q3r h LEU 267 Ca -0.51 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.11 2q3r h LEU 267 Cb 1.32 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 42.25 2q3r h LEU 267 CO 0.50 0.03 -0.04 -0.72 -0.34 0.00 0.00 178.44 177.88 2q3r s TYR 268 N -5.95 -0.07 -0.16 1.25 -0.85 -1.18 -1.14 117.35 109.25 2q3r s TYR 268 Ca -0.14 -0.27 0.01 0.00 -0.52 0.00 0.00 57.07 56.15 2q3r s TYR 268 Cb 0.05 0.30 0.02 0.00 0.38 0.00 0.00 41.96 42.72 2q3r s TYR 268 CO 0.66 -0.84 -0.18 0.00 -1.52 0.00 0.00 175.55 173.67 2q3r s HIS 270 N 1.28 3.03 -0.01 0.00 2.46 -0.30 -2.83 115.29 118.92 2q3r s HIS 270 Ca 0.02 -0.64 0.04 0.00 0.47 0.00 0.00 55.06 54.96 2q3r s HIS 270 Cb -0.13 -2.16 -0.01 0.00 -0.13 0.00 0.00 32.58 30.14 2q3r s HIS 270 CO -0.10 -0.42 -0.14 0.08 -2.47 0.00 0.00 174.74 171.69 2q3r s VAL 271 N 1.47 1.13 0.00 0.89 1.01 -1.24 -0.60 120.40 123.06 2q3r s VAL 271 Ca 0.05 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 2q3r s VAL 271 Cb -0.15 -0.94 -0.06 0.00 0.00 0.00 0.00 36.38 35.23 2q3r s VAL 271 CO 0.01 0.32 0.56 -0.63 0.00 0.00 0.00 175.10 175.35 2q3r s ILE 272 N -0.33 4.91 0.64 2.22 1.01 -1.12 -4.06 121.20 124.47 2q3r s ILE 272 Ca 0.05 1.17 -0.17 0.00 0.00 0.00 0.00 60.65 61.70 2q3r s ILE 272 Cb -0.06 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.52 2q3r s ILE 272 CO -0.01 0.46 1.16 -0.70 0.00 0.00 0.00 174.94 175.85 2q3r s GLU 273 N -0.42 2.76 0.00 2.79 2.56 -1.26 -4.86 118.70 120.26 2q3r s GLU 273 Ca 0.29 1.62 0.00 0.00 0.00 0.00 0.00 54.97 56.89 2q3r s GLU 273 Cb -0.18 -1.92 0.00 0.00 2.00 0.00 0.00 34.13 34.03 2q3r s GLU 273 CO 0.17 -1.33 0.00 0.00 -0.56 0.00 0.00 175.26 173.54 2q3r n ALA 274 N -2.12 0.00 1.39 6.30 0.00 -1.26 -4.89 120.51 119.92 2q3r n ALA 274 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.57 2q3r n ALA 274 Cb 0.51 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.00 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 1.31 0.00 0.00 1.74 -1.26 -5.08 116.66 113.37 2q3r n ARG 275 Ca 0.00 -0.36 0.00 0.00 -0.77 0.00 0.00 57.85 56.72 2q3r n ARG 275 Cb 0.00 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 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 -0.12 0.00 -0.35 5.56 0.00 -1.26 -5.28 117.12 115.66 2q3r n MET 276 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.73 2q3r n MET 276 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.40 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 -0.35 0.00 3.17 -0.00 -1.26 -5.05 115.22 111.73 2q3r n HIS 287 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2q3r n HIS 287 Cb 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 29.99 29.47 2q3r n HIS 287 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 2q3r n THR 288 N -0.35 0.00 0.06 1.59 5.66 -1.26 -4.82 114.28 115.16 2q3r n THR 288 Ca 0.00 0.04 -0.16 0.00 -3.05 0.00 0.00 64.05 60.88 2q3r n THR 288 Cb 0.00 -0.80 -0.08 0.00 -1.55 0.00 0.00 70.33 67.91 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 0.68 -0.59 1.09 4.07 -2.00 -3.35 115.31 115.20 2q3r h LEU 289 Ca 0.00 -0.56 0.11 0.00 0.08 0.00 0.00 57.88 57.51 2q3r h LEU 289 Cb 0.00 -0.21 -0.08 0.00 1.08 0.00 0.00 40.66 41.45 2q3r h LEU 289 CO 0.00 1.37 0.15 0.24 -1.08 0.00 0.00 178.44 179.12 2q3r h MET 290 N 0.28 0.29 -0.56 1.13 2.86 -1.95 0.68 114.93 117.67 2q3r h MET 290 Ca -0.11 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.55 2q3r h MET 290 Cb 1.67 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 33.22 2q3r h MET 290 CO 0.19 0.19 0.31 -1.35 1.06 0.00 0.00 176.91 177.31 2q3r h PRO 291 N 0.30 0.59 -0.62 -0.22 0.11 -1.88 0.59 132.00 130.88 2q3r h PRO 291 Ca 0.31 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.30 2q3r h PRO 291 Cb 0.44 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 2q3r h PRO 291 CO -0.37 0.39 0.06 0.52 -0.21 0.00 0.00 178.00 178.39 2q3r h MET 292 N 0.61 1.05 0.70 1.05 2.86 -1.42 -1.08 114.93 118.70 2q3r h MET 292 Ca 0.24 -0.30 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 2q3r h MET 292 Cb 0.09 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 31.64 2q3r h MET 292 CO -0.13 1.00 -0.33 -0.09 1.06 0.00 0.00 176.91 178.41 2q3r h ARG 293 N 0.95 -0.90 -0.06 1.72 9.65 0.13 0.26 114.38 126.13 2q3r h ARG 293 Ca 0.18 0.06 0.02 0.00 -1.10 0.00 0.00 59.98 59.14 2q3r h ARG 293 Cb 0.48 0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 29.27 2q3r h ARG 293 CO 0.02 -0.60 0.11 0.87 2.80 0.00 0.00 179.97 183.17 2q3r h LYS 294 N -0.99 0.00 0.00 0.20 1.57 0.15 -1.27 116.57 116.22 2q3r h LYS 294 Ca -0.10 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.48 2q3r h LYS 294 Cb 0.72 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 2q3r h LYS 294 CO 0.16 0.00 -1.24 0.00 -0.57 0.00 0.00 179.45 177.80 2q3r h ALA 295 N 1.84 0.62 -2.24 3.86 0.00 -0.90 -3.44 119.26 118.99 2q3r h ALA 295 Ca 0.03 -0.98 -0.64 0.00 0.00 0.00 0.00 54.91 53.32 2q3r h ALA 295 Cb 0.25 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.08 2q3r h ALA 295 CO -0.00 1.15 0.17 0.12 0.00 0.00 0.00 179.25 180.69 2q3r s PHE 296 N -2.78 3.10 0.30 0.00 5.36 0.91 -4.57 117.98 120.30 2q3r s PHE 296 Ca -0.01 0.20 0.15 0.00 -0.96 0.00 0.00 56.93 56.31 2q3r s PHE 296 Cb 0.09 -3.28 0.71 0.00 -0.34 0.00 0.00 43.02 40.20 2q3r s PHE 296 CO 0.81 -0.75 1.78 0.87 -1.46 0.00 0.00 175.22 176.47 2q3r h LYS 297 N 8.66 0.00 0.00 10.12 1.79 -1.86 -3.45 116.57 131.83 2q3r h LYS 297 Ca -0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2q3r h LYS 297 Cb 1.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 2q3r h LYS 297 CO 0.87 0.40 0.00 0.41 -1.08 0.00 0.00 179.45 180.05 2q3r n GLY 298 N -0.16 -1.72 3.78 3.86 0.00 -1.26 -5.00 105.19 104.68 2q3r n GLY 298 Ca -0.01 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.10 2q3r n GLY 298 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q3r s THR 299 N -0.82 3.32 -0.08 2.61 2.01 -0.29 -4.89 115.64 117.50 2q3r s THR 299 Ca 0.00 0.92 0.05 0.00 0.31 0.00 0.00 61.69 62.96 2q3r s THR 299 Cb 0.00 -3.43 -0.00 0.00 0.01 0.00 0.00 72.50 69.08 2q3r s THR 299 CO 0.00 -0.09 -0.23 0.12 -0.69 0.00 0.00 174.62 173.73 2q3r s PHE 300 N -1.70 2.35 -0.12 4.92 5.36 -1.26 -1.55 117.98 125.98 2q3r s PHE 300 Ca 0.66 -0.85 0.01 0.00 -0.96 0.00 0.00 56.93 55.79 2q3r s PHE 300 Cb -0.24 -1.57 -0.01 0.00 -0.34 0.00 0.00 43.02 40.86 2q3r s PHE 300 CO 0.29 -0.32 -0.16 0.42 -1.46 0.00 0.00 175.22 173.99 2q3r s ILE 301 N 0.18 2.82 -0.21 3.12 1.01 -1.13 -2.03 121.20 124.96 2q3r s ILE 301 Ca -0.12 -0.75 -0.09 0.00 0.00 0.00 0.00 60.65 59.69 2q3r s ILE 301 Cb -0.16 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 2q3r s ILE 301 CO 0.06 0.54 0.10 -0.55 0.00 0.00 0.00 174.94 175.08 2q3r s SER 302 N 0.29 5.78 -0.28 3.58 0.15 0.10 -3.68 113.70 119.64 2q3r s SER 302 Ca -0.12 0.08 -0.04 0.00 0.70 0.00 0.00 55.95 56.57 2q3r s SER 302 Cb -0.16 -2.01 0.16 0.00 -1.71 0.00 0.00 66.02 62.30 2q3r s SER 302 CO 0.06 0.13 0.56 0.00 1.20 0.00 0.00 173.24 175.19 2q3r s ALA 303 N 0.67 -1.92 0.00 5.45 0.00 -1.26 0.64 121.76 125.35 2q3r s ALA 303 Ca 0.05 1.77 0.00 0.00 0.00 0.00 0.00 51.96 53.79 2q3r s ALA 303 Cb -0.13 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.07 2q3r s ALA 303 CO 0.01 -1.18 0.00 0.41 0.00 0.00 0.00 175.76 175.00 2q3r n GLY 304 N 5.42 1.28 2.87 0.00 0.00 -1.25 -4.27 105.19 109.24 2q3r n GLY 304 Ca -0.05 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 0.39 3.77 -0.02 0.00 -1.26 -4.55 105.19 103.52 2q3r n GLY 305 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 2.93 0.47 1.61 0.40 -1.26 -5.05 117.98 115.08 2q3r s PHE 306 Ca 0.00 1.54 0.07 0.00 -0.60 0.00 0.00 56.93 57.94 2q3r s PHE 306 Cb 0.00 -3.38 0.00 0.00 0.51 0.00 0.00 43.02 40.16 2q3r s PHE 306 CO 0.00 -1.45 0.38 0.95 0.70 0.00 0.00 175.22 175.81 2q3r s THR 307 N -1.52 2.18 0.14 0.64 -4.23 -1.26 -4.94 115.64 106.66 2q3r s THR 307 Ca 0.62 -1.43 -0.18 0.00 -1.18 0.00 0.00 61.69 59.51 2q3r s THR 307 Cb -0.29 -2.62 -0.01 0.00 1.34 0.00 0.00 72.50 70.92 2q3r s THR 307 CO 0.35 0.00 1.73 -0.09 -0.54 0.00 0.00 174.62 176.07 2q3r h ARG 308 N 0.93 0.13 -0.40 3.99 2.43 -1.98 -0.00 114.38 119.47 2q3r h ARG 308 Ca -0.39 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.72 2q3r h ARG 308 Cb 1.28 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 2q3r h ARG 308 CO 0.58 0.09 0.05 0.93 -1.51 0.00 0.00 179.97 180.11 2q3r h GLU 309 N 0.14 0.68 -0.76 0.20 3.07 -1.98 0.53 114.58 116.46 2q3r h GLU 309 Ca 0.12 -0.19 0.15 0.00 -0.50 0.00 0.00 59.36 58.94 2q3r h GLU 309 Cb 0.13 -0.07 -0.10 0.00 -0.84 0.00 0.00 28.75 27.86 2q3r h GLU 309 CO -0.17 0.74 0.27 -0.44 -1.40 0.00 0.00 179.01 178.01 2q3r h ASP 310 N 0.52 0.21 -0.14 1.42 3.32 -1.86 0.48 116.42 120.37 2q3r h ASP 310 Ca 0.12 0.12 -0.12 0.00 0.02 0.00 0.00 57.03 57.17 2q3r h ASP 310 Cb 0.40 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2q3r h ASP 310 CO 0.01 0.06 -0.38 1.23 -1.72 0.00 0.00 179.24 178.43 2q3r h GLY 311 N 0.39 0.55 0.51 2.75 0.00 -0.22 0.50 103.07 107.54 2q3r h GLY 311 Ca 0.42 -0.70 0.07 0.00 0.00 0.00 0.00 47.33 47.13 2q3r h GLY 311 CO -0.44 0.63 0.21 3.43 0.00 0.00 0.00 176.54 180.37 2q3r h ASN 312 N 0.11 0.23 0.60 0.19 2.35 0.11 -0.26 115.58 118.91 2q3r h ASN 312 Ca -0.01 0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 2q3r h ASN 312 Cb 1.00 0.03 0.01 0.00 0.05 0.00 0.00 38.32 39.41 2q3r h ASN 312 CO 0.08 0.15 -0.29 -0.08 -1.65 0.00 0.00 177.43 175.65 2q3r h GLU 313 N 0.40 -0.78 -0.73 0.81 4.81 -0.06 -0.23 114.58 118.81 2q3r h GLU 313 Ca 0.26 0.05 0.21 0.00 -0.13 0.00 0.00 59.36 59.76 2q3r h GLU 313 Cb 0.28 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 2q3r h GLU 313 CO -0.25 -0.46 0.55 0.00 -0.73 0.00 0.00 179.01 178.12 2q3r h ALA 314 N -0.80 2.64 0.00 2.92 0.00 -0.65 0.29 119.26 123.66 2q3r h ALA 314 Ca -0.08 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.54 2q3r h ALA 314 Cb 0.67 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2q3r h ALA 314 CO 0.14 -0.93 -1.54 0.28 0.00 0.00 0.00 179.25 177.20 2q3r h VAL 315 N 0.00 0.99 -0.38 0.00 2.07 -0.94 -1.45 116.25 116.54 2q3r h VAL 315 Ca 0.35 -2.79 0.00 0.00 0.82 0.00 0.00 66.70 65.07 2q3r h VAL 315 Cb 1.45 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 33.70 2q3r h VAL 315 CO -0.00 0.57 0.00 -1.54 0.02 0.00 0.00 177.57 176.61 2q3r n SER 316 N -3.10 3.75 -0.04 0.57 3.41 0.90 -3.57 113.62 115.55 2q3r n SER 316 Ca -0.13 -2.49 0.00 0.00 -0.26 0.00 0.00 58.87 55.99 2q3r n SER 316 Cb 1.01 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 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 0.47 0.34 -1.32 4.33 4.76 -0.56 -5.01 118.16 121.18 2q3r n LYS 317 Ca 0.17 -0.66 -0.11 0.00 -2.87 0.00 0.00 58.31 54.84 2q3r n LYS 317 Cb 0.78 -0.56 -0.05 0.00 -1.84 0.00 0.00 35.03 33.35 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 -0.07 1.17 0.22 0.72 0.00 -1.23 -4.88 105.19 101.12 2q3r n GLY 318 Ca 0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 2q3r n GLY 318 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2q3r h ARG 319 N 0.07 0.61 -4.56 1.61 2.47 -1.59 -3.46 114.38 109.53 2q3r h ARG 319 Ca -0.23 -0.35 -0.23 0.00 -1.26 0.00 0.00 59.98 57.92 2q3r h ARG 319 Cb 0.93 0.02 -0.15 0.00 -1.65 0.00 0.00 29.97 29.13 2q3r h ARG 319 CO 0.33 0.95 -0.63 -0.08 0.56 0.00 0.00 179.97 181.11 2q3r s THR 320 N -4.14 0.05 -0.25 2.04 -1.32 -0.75 -5.01 115.64 106.25 2q3r s THR 320 Ca -0.08 -1.98 0.02 0.00 -1.21 0.00 0.00 61.69 58.44 2q3r s THR 320 Cb 0.12 -2.39 -0.16 0.00 -1.51 0.00 0.00 72.50 68.56 2q3r s THR 320 CO 0.84 -0.12 -0.22 0.47 -2.21 0.00 0.00 174.62 173.37 2q3r n ASP 321 N -0.23 2.06 -4.37 8.08 8.00 -0.86 -4.63 116.55 124.60 2q3r n ASP 321 Ca -0.00 -0.12 -0.19 0.00 0.71 0.00 0.00 54.79 55.19 2q3r n ASP 321 Cb 0.65 -0.40 -0.10 0.00 -0.02 0.00 0.00 41.12 41.25 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 -6.48 2.51 -0.22 0.64 1.43 -1.09 -4.84 118.68 110.63 2q3r s LEU 322 Ca -0.34 -1.09 -0.00 0.00 -1.03 0.00 0.00 54.13 51.67 2q3r s LEU 322 Cb 0.09 -0.63 0.06 0.00 0.03 0.00 0.00 46.19 45.74 2q3r s LEU 322 CO 0.57 -0.25 -0.02 -0.69 0.23 0.00 0.00 176.35 176.19 2q3r s VAL 323 N -3.02 1.21 -0.26 -1.59 1.01 0.29 0.00 120.40 118.04 2q3r s VAL 323 Ca 0.25 -1.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.11 2q3r s VAL 323 Cb 0.01 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 2q3r s VAL 323 CO 0.08 -0.15 0.14 0.00 0.00 0.00 0.00 175.10 175.17 2q3r s ALA 324 N 1.54 3.38 0.29 5.51 0.00 0.21 0.13 121.76 132.82 2q3r s ALA 324 Ca -0.04 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.83 2q3r s ALA 324 Cb -0.18 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 2q3r s ALA 324 CO -0.07 -0.50 0.48 0.71 0.00 0.00 0.00 175.76 176.39 2q3r s TYR 325 N 1.65 3.49 0.00 0.00 2.02 0.23 -3.94 117.35 120.80 2q3r s TYR 325 Ca 0.07 0.32 0.00 0.00 -0.37 0.00 0.00 57.07 57.08 2q3r s TYR 325 Cb -0.15 -1.85 0.00 0.00 -0.40 0.00 0.00 41.96 39.55 2q3r s TYR 325 CO 0.08 0.23 0.00 0.41 -1.57 0.00 0.00 175.55 174.70 2q3r n GLY 326 N -1.40 0.64 0.31 0.71 0.00 -1.26 0.85 105.19 105.04 2q3r n GLY 326 Ca -0.05 -0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 0.15 1.61 3.08 -1.97 -1.19 114.38 116.05 2q3r h ARG 327 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 2q3r h ARG 327 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 2q3r h ARG 327 CO 0.00 0.02 -1.28 -1.49 -1.07 0.00 0.00 179.97 176.15 2q3r h TRP 328 N 0.00 0.57 0.02 3.04 -0.00 -1.96 -3.06 115.95 114.55 2q3r h TRP 328 Ca -0.00 -0.42 -0.20 0.00 -0.00 0.00 0.00 58.89 58.27 2q3r h TRP 328 Cb 0.11 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.16 29.24 2q3r h TRP 328 CO 0.00 1.33 -0.93 0.35 -0.00 0.00 0.00 178.44 179.19 2q3r h PHE 329 N 0.09 0.17 -0.37 0.49 3.04 -1.68 -0.42 116.94 118.27 2q3r h PHE 329 Ca -0.15 -0.11 0.04 0.00 3.98 0.00 0.00 57.97 61.73 2q3r h PHE 329 Cb 2.01 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 40.46 2q3r h PHE 329 CO 0.07 0.97 0.13 1.25 -2.02 0.00 0.00 178.31 178.72 2q3r h LEU 330 N 0.05 0.14 0.01 0.59 6.46 -1.30 -3.02 115.31 118.24 2q3r h LEU 330 Ca -0.04 0.04 -0.22 0.00 -0.12 0.00 0.00 57.88 57.54 2q3r h LEU 330 Cb 1.60 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 41.52 2q3r h LEU 330 CO 0.13 0.12 -1.05 0.00 -0.62 0.00 0.00 178.44 177.02 2q3r h ALA 331 N 1.23 0.34 -3.29 1.25 0.00 -1.50 -3.43 119.26 113.87 2q3r h ALA 331 Ca 0.17 -0.93 -0.68 0.00 0.00 0.00 0.00 54.91 53.47 2q3r h ALA 331 Cb 0.14 -0.12 -0.37 0.00 0.00 0.00 0.00 17.79 17.44 2q3r h ALA 331 CO -0.17 1.24 -0.56 -0.80 0.00 0.00 0.00 179.25 178.96 2q3r s ASN 332 N -6.73 5.05 0.44 0.00 0.01 -0.17 -4.56 114.94 108.98 2q3r s ASN 332 Ca 0.00 -2.33 0.17 0.00 -0.71 0.00 0.00 52.86 49.99 2q3r s ASN 332 Cb 0.10 -1.77 1.10 0.00 0.41 0.00 0.00 41.25 41.09 2q3r s ASN 332 CO 0.83 -0.44 1.94 1.55 -1.51 0.00 0.00 177.10 179.47 2q3r h PRO 333 N 7.59 0.34 -1.28 -0.60 0.13 -1.82 -1.46 132.00 134.89 2q3r h PRO 333 Ca -0.08 -0.02 -0.69 0.00 -0.87 0.00 0.00 66.00 64.34 2q3r h PRO 333 Cb 1.01 -0.08 -0.30 0.00 0.13 0.00 0.00 31.00 31.76 2q3r h PRO 333 CO 0.66 0.23 0.74 -0.40 -0.23 0.00 0.00 178.00 179.00 2q3r n ASP 334 N -4.46 7.34 -0.06 1.44 3.85 -1.26 -4.18 116.55 119.22 2q3r n ASP 334 Ca 0.13 -3.80 -0.07 0.00 -0.71 0.00 0.00 54.79 50.34 2q3r n ASP 334 Cb 0.51 -0.94 -0.01 0.00 -1.35 0.00 0.00 41.12 39.33 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 2.31 -0.50 -0.56 -2.12 5.85 -1.60 -0.44 115.31 118.26 2q3r h LEU 335 Ca 0.57 0.11 0.09 0.00 0.84 0.00 0.00 57.88 59.49 2q3r h LEU 335 Cb 0.65 0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 2q3r h LEU 335 CO 1.46 -0.19 0.17 -0.65 -0.34 0.00 0.00 178.44 178.90 2q3r h PRO 336 N -0.12 0.32 -0.20 5.25 0.11 -1.88 -0.69 132.00 134.79 2q3r h PRO 336 Ca 0.15 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.16 2q3r h PRO 336 Cb 0.34 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 2q3r h PRO 336 CO -0.35 0.21 -0.19 -0.22 -0.21 0.00 0.00 178.00 177.25 2q3r h LYS 337 N 0.33 0.35 -0.36 1.05 3.64 -1.83 -0.39 116.57 119.36 2q3r h LYS 337 Ca 0.28 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 2q3r h LYS 337 Cb 0.36 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2q3r h LYS 337 CO -0.31 0.53 -0.14 0.00 -2.27 0.00 0.00 179.45 177.25 2q3r h ARG 338 N 0.32 0.73 0.00 1.90 3.08 -0.05 -2.25 114.38 118.11 2q3r h ARG 338 Ca 0.06 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.80 2q3r h ARG 338 Cb 0.52 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2q3r h ARG 338 CO 0.03 0.91 0.00 0.74 -1.07 0.00 0.00 179.97 180.58 2q3r h PHE 339 N 0.52 0.00 -0.77 3.04 0.04 -0.75 0.49 116.94 119.51 2q3r h PHE 339 Ca 0.08 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.92 2q3r h PHE 339 Cb 0.68 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.76 2q3r h PHE 339 CO 0.06 0.00 0.45 0.37 -0.60 0.00 0.00 178.31 178.59 2q3r h GLN 340 N 0.00 0.79 -0.03 1.51 4.15 -0.45 -2.97 115.11 118.12 2q3r h GLN 340 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2q3r h GLN 340 Cb 0.50 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.01 2q3r h GLN 340 CO 0.00 0.52 0.00 0.28 -1.93 0.00 0.00 178.83 177.70 2q3r n VAL 341 N -4.71 1.23 -3.73 2.39 0.31 -0.99 -4.84 118.33 107.98 2q3r n VAL 341 Ca 0.11 -1.31 -0.33 0.00 -0.01 0.00 0.00 64.34 62.80 2q3r n VAL 341 Cb 0.19 0.32 0.04 0.00 -0.91 0.00 0.00 33.84 33.48 2q3r n VAL 341 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2q3r n ASP 342 N -0.64 -5.20 -4.91 4.52 -0.08 0.13 -4.96 116.55 105.41 2q3r n ASP 342 Ca 0.05 -1.04 -0.27 0.00 -1.51 0.00 0.00 54.79 52.02 2q3r n ASP 342 Cb 0.37 -3.08 -0.01 0.00 2.34 0.00 0.00 41.12 40.74 2q3r n ASP 342 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2q3r s ALA 343 N -3.44 3.47 0.38 -1.67 0.00 0.94 -4.99 121.76 116.46 2q3r s ALA 343 Ca 0.45 -0.55 -0.28 0.00 0.00 0.00 0.00 51.96 51.59 2q3r s ALA 343 Cb -0.18 -2.49 -0.10 0.00 0.00 0.00 0.00 23.12 20.35 2q3r s ALA 343 CO 0.88 -0.20 1.45 -1.25 0.00 0.00 0.00 175.76 176.64 2q3r s PRO 344 N -4.45 4.09 -0.11 0.00 0.04 -1.26 -4.81 135.00 128.50 2q3r s PRO 344 Ca 0.46 2.49 -0.03 0.00 0.04 0.00 0.00 61.00 63.97 2q3r s PRO 344 Cb -0.10 -2.94 -0.03 0.00 0.04 0.00 0.00 34.50 31.46 2q3r s PRO 344 CO 0.40 -0.52 -0.01 -0.51 0.04 0.00 0.00 177.00 176.41 2q3r s LEU 345 N -2.13 3.48 0.68 -3.56 1.43 -1.26 -5.08 118.68 112.23 2q3r s LEU 345 Ca 0.53 0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 53.52 2q3r s LEU 345 Cb -0.45 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 43.97 2q3r s LEU 345 CO 0.61 0.30 1.23 0.20 0.23 0.00 0.00 176.35 178.92 2q3r s ASN 346 N -0.43 4.51 0.28 2.29 0.01 -1.26 -4.98 114.94 115.36 2q3r s ASN 346 Ca 0.08 2.44 -0.22 0.00 -0.71 0.00 0.00 52.86 54.45 2q3r s ASN 346 Cb -0.12 -2.60 -0.09 0.00 0.41 0.00 0.00 41.25 38.85 2q3r s ASN 346 CO 0.02 -2.06 0.82 -0.54 -1.51 0.00 0.00 177.10 173.83 2q3r s LYS 347 N -3.65 4.35 0.24 -0.60 1.02 -1.26 -4.83 119.74 115.01 2q3r s LYS 347 Ca 0.77 1.04 -0.26 0.00 0.02 0.00 0.00 55.97 57.54 2q3r s LYS 347 Cb -0.32 -2.77 -0.09 0.00 -0.52 0.00 0.00 37.83 34.14 2q3r s LYS 347 CO 0.41 0.31 0.86 1.52 -0.92 0.00 0.00 175.35 177.53 2q3r s TYR 348 N -1.64 3.82 -0.76 3.18 -0.85 -1.26 -4.97 117.35 114.88 2q3r s TYR 348 Ca 0.48 1.72 -0.12 0.00 -0.52 0.00 0.00 57.07 58.63 2q3r s TYR 348 Cb -0.16 -2.85 0.20 0.00 0.38 0.00 0.00 41.96 39.53 2q3r s TYR 348 CO 0.21 0.38 0.67 0.34 -1.52 0.00 0.00 175.55 175.63 2q3r s ASP 349 N -1.38 6.38 0.15 -0.18 2.15 -1.26 -4.97 116.67 117.57 2q3r s ASP 349 Ca 0.43 -2.66 -0.28 0.00 0.43 0.00 0.00 52.55 50.47 2q3r s ASP 349 Cb -0.21 -2.13 -0.01 0.00 -0.30 0.00 0.00 42.92 40.27 2q3r s ASP 349 CO 0.26 -0.55 1.57 0.03 -0.17 0.00 0.00 175.17 176.31 2q3r h ARG 350 N 7.69 -0.29 0.00 4.34 3.08 -2.01 -0.77 114.38 126.42 2q3r h ARG 350 Ca 0.05 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2q3r h ARG 350 Cb 1.03 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2q3r h ARG 350 CO 0.76 -0.20 0.54 -2.30 -1.07 0.00 0.00 179.97 177.71 2q3r n PRO 351 N -5.40 0.03 -0.05 0.04 -0.02 -1.26 0.11 135.00 128.45 2q3r n PRO 351 Ca -0.00 0.41 0.03 0.00 -2.02 0.00 0.00 63.50 61.91 2q3r n PRO 351 Cb 0.35 -2.14 0.05 0.00 -0.02 0.00 0.00 33.50 31.74 2q3r n PRO 351 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2q3r n THR 352 N -1.68 0.62 0.07 3.45 -2.24 -0.30 -4.43 114.28 109.78 2q3r n THR 352 Ca -0.00 -0.81 -0.13 0.00 -2.27 0.00 0.00 64.05 60.84 2q3r n THR 352 Cb 0.55 0.73 -0.09 0.00 -2.10 0.00 0.00 70.33 69.42 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 0.94 -0.18 -0.03 4.78 0.04 -0.33 -3.36 116.94 118.81 2q3r h PHE 353 Ca 0.00 -0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.55 2q3r h PHE 353 Cb 0.45 0.06 0.02 0.00 2.20 0.00 0.00 35.95 38.68 2q3r h PHE 353 CO 0.06 0.18 -0.81 1.88 -0.60 0.00 0.00 178.31 179.02 2q3r h TYR 354 N -0.55 0.87 -1.59 -0.55 0.05 -1.82 -3.46 116.97 109.92 2q3r h TYR 354 Ca -0.02 -0.45 -0.46 0.00 0.05 0.00 0.00 58.73 57.85 2q3r h TYR 354 Cb 0.43 -0.11 0.16 0.00 1.01 0.00 0.00 36.73 38.23 2q3r h TYR 354 CO 0.04 1.28 -1.18 0.25 -1.05 0.00 0.00 178.16 177.50 2q3r n THR 355 N -4.02 0.00 -0.82 -2.88 -2.24 -1.26 -4.77 114.28 98.30 2q3r n THR 355 Ca -0.10 -0.40 0.08 0.00 -2.27 0.00 0.00 64.05 61.36 2q3r n THR 355 Cb 0.77 0.00 0.32 0.00 -2.10 0.00 0.00 70.33 69.32 2q3r n THR 355 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2q3r n SER 356 N 2.35 4.60 -4.78 3.42 3.41 -1.26 -4.82 113.62 116.55 2q3r n SER 356 Ca 0.03 -2.78 -0.36 0.00 -0.26 0.00 0.00 58.87 55.50 2q3r n SER 356 Cb 0.41 -0.57 -0.01 0.00 -0.26 0.00 0.00 64.21 63.78 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 -1.26 6.05 0.38 4.04 2.15 -1.26 -4.90 116.67 121.87 2q3r s ASP 357 Ca 0.47 2.18 0.13 0.00 0.43 0.00 0.00 52.55 55.76 2q3r s ASP 357 Cb 0.34 -2.59 0.77 0.00 -0.30 0.00 0.00 42.92 41.15 2q3r s ASP 357 CO 0.15 -0.99 1.85 -0.65 -0.17 0.00 0.00 175.17 175.36 2q3r h PRO 358 N 1.66 0.00 0.00 4.34 0.11 -1.95 -3.38 132.00 132.79 2q3r h PRO 358 Ca -0.50 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 2q3r h PRO 358 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2q3r h PRO 358 CO 0.59 0.35 -1.22 0.28 -0.21 0.00 0.00 178.00 177.78 2q3r n VAL 359 N -4.10 0.22 -1.61 3.15 0.31 -1.26 -4.54 118.33 110.50 2q3r n VAL 359 Ca -0.02 -0.07 -0.52 0.00 -0.01 0.00 0.00 64.34 63.72 2q3r n VAL 359 Cb 0.39 -1.01 -0.06 0.00 -0.91 0.00 0.00 33.84 32.24 2q3r n VAL 359 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2q3r n VAL 360 N -2.85 0.04 -1.99 2.52 0.31 -1.26 -0.96 118.33 114.15 2q3r n VAL 360 Ca -0.07 -0.01 -0.06 0.00 -0.01 0.00 0.00 64.34 64.19 2q3r n VAL 360 Cb 0.57 -0.94 -0.01 0.00 -0.91 0.00 0.00 33.84 32.54 2q3r n VAL 360 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2q3r n GLY 361 N 2.81 -0.12 1.12 2.92 0.00 -1.26 -4.68 105.19 105.98 2q3r n GLY 361 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.34 -0.08 0.54 1.61 9.36 -0.13 -4.73 117.16 121.39 2q3r n TYR 362 Ca -0.06 0.01 0.07 0.00 3.32 0.00 0.00 57.90 61.24 2q3r n TYR 362 Cb 0.41 0.06 0.06 0.00 -0.63 0.00 0.00 39.34 39.25 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 -2.77 0.04 0.24 2.97 -2.24 -1.00 -4.58 114.28 106.94 2q3r n THR 363 Ca 0.00 -0.52 0.04 0.00 -2.27 0.00 0.00 64.05 61.30 2q3r n THR 363 Cb 0.00 1.25 0.19 0.00 -2.10 0.00 0.00 70.33 69.68 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 0.77 3.04 -4.70 3.42 3.85 -1.21 -4.84 116.55 116.88 2q3r n ASP 364 Ca 0.08 -2.35 -0.41 0.00 -0.71 0.00 0.00 54.79 51.40 2q3r n ASP 364 Cb 0.35 -0.51 -0.04 0.00 -1.35 0.00 0.00 41.12 39.57 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 -1.79 3.54 0.32 2.11 2.02 -1.26 -4.95 117.35 117.34 2q3r s TYR 365 Ca 0.27 1.34 -0.26 0.00 -0.37 0.00 0.00 57.07 58.04 2q3r s TYR 365 Cb 0.19 -2.94 -0.10 0.00 -0.40 0.00 0.00 41.96 38.72 2q3r s TYR 365 CO 0.10 -0.04 0.94 -1.25 -1.57 0.00 0.00 175.55 173.73 2q3r s PRO 366 N 1.30 4.60 0.80 -1.71 0.04 -1.26 -4.71 135.00 134.06 2q3r s PRO 366 Ca 0.41 1.33 -0.11 0.00 0.04 0.00 0.00 61.00 62.67 2q3r s PRO 366 Cb -0.18 -2.83 0.09 0.00 0.04 0.00 0.00 34.50 31.62 2q3r s PRO 366 CO 0.18 0.30 1.15 -0.06 0.04 0.00 0.00 177.00 178.61 2q3r s PHE 367 N -1.59 2.81 0.65 0.56 0.40 -1.26 -4.64 117.98 114.92 2q3r s PHE 367 Ca 0.49 0.64 -0.17 0.00 -0.60 0.00 0.00 56.93 57.29 2q3r s PHE 367 Cb -0.19 -3.48 -0.00 0.00 0.51 0.00 0.00 43.02 39.85 2q3r s PHE 367 CO 0.24 -1.77 1.19 -0.51 0.70 0.00 0.00 175.22 175.07 2q3r s LEU 368 N -5.53 3.50 0.00 -0.37 1.43 -1.26 -5.09 118.68 111.36 2q3r s LEU 368 Ca 0.63 2.32 0.30 0.00 -1.03 0.00 0.00 54.13 56.35 2q3r s LEU 368 Cb -0.10 -4.59 1.54 0.00 0.03 0.00 0.00 46.19 43.07 2q3r s LEU 368 CO 0.48 -1.84 2.02 -0.62 0.23 0.00 0.00 176.35 176.62