#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 2.37 -0.21 2.46 0.24 -1.26 -4.70 118.33 117.23 2q3r n VAL 10 Ca 0.00 -0.50 0.02 0.00 -2.04 0.00 0.00 64.34 61.82 2q3r n VAL 10 Cb 0.00 -1.59 0.06 0.00 -1.47 0.00 0.00 33.84 30.84 2q3r n VAL 10 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 2q3r n PRO 11 N 0.20 -0.09 -0.13 7.34 -0.02 -1.26 0.66 135.00 141.70 2q3r n PRO 11 Ca 0.06 0.90 -0.01 0.00 -2.02 0.00 0.00 63.50 62.42 2q3r n PRO 11 Cb 0.39 -1.33 0.24 0.00 -0.02 0.00 0.00 33.50 32.77 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 0.75 -1.80 2.45 3.38 -1.87 -2.52 115.31 115.70 2q3r h LEU 12 Ca 0.25 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2q3r h LEU 12 Cb 0.39 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2q3r h LEU 12 CO -0.59 0.66 0.00 0.18 0.09 0.00 0.00 178.44 178.79 2q3r n LEU 13 N -4.34 2.57 -4.81 1.67 7.99 0.21 -0.18 117.00 120.10 2q3r n LEU 13 Ca 0.05 -1.30 -0.37 0.00 -0.01 0.00 0.00 56.01 54.38 2q3r n LEU 13 Cb 0.15 -0.50 -0.06 0.00 -0.11 0.00 0.00 43.42 42.90 2q3r n LEU 13 CO 0.38 0.39 -0.05 0.42 -1.51 0.00 0.00 177.39 177.03 2q3r s THR 14 N -1.67 5.31 0.90 -5.08 -4.23 -0.95 -4.16 115.64 105.76 2q3r s THR 14 Ca 0.21 0.49 -0.12 0.00 -1.18 0.00 0.00 61.69 61.08 2q3r s THR 14 Cb 0.15 -3.56 0.08 0.00 1.34 0.00 0.00 72.50 70.51 2q3r s THR 14 CO 0.07 0.53 0.81 -2.65 -0.54 0.00 0.00 174.62 172.84 2q3r n PRO 15 N 2.49 -0.25 -3.65 3.99 -0.02 -1.08 -3.91 135.00 132.57 2q3r n PRO 15 Ca -0.16 -0.01 -0.15 0.00 -2.02 0.00 0.00 63.50 61.16 2q3r n PRO 15 Cb 0.53 -2.13 -0.07 0.00 -0.02 0.00 0.00 33.50 31.80 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 -2.41 -0.42 -0.28 6.00 5.04 -0.44 -4.90 117.35 119.94 2q3r s TYR 16 Ca 0.64 0.72 -0.06 0.00 -2.44 0.00 0.00 57.07 55.92 2q3r s TYR 16 Cb -0.24 0.24 0.00 0.00 0.35 0.00 0.00 41.96 42.31 2q3r s TYR 16 CO 0.61 -0.48 0.06 0.21 -1.34 0.00 0.00 175.55 174.61 2q3r s LYS 17 N -1.16 3.23 -0.63 4.97 2.47 -1.26 -1.09 119.74 126.25 2q3r s LYS 17 Ca -0.12 -0.76 -0.12 0.00 -1.56 0.00 0.00 55.97 53.42 2q3r s LYS 17 Cb -0.03 -3.32 0.16 0.00 -1.46 0.00 0.00 37.83 33.19 2q3r s LYS 17 CO 0.07 -0.37 0.55 1.41 0.16 0.00 0.00 175.35 177.16 2q3r s MET 18 N 1.52 3.01 6.19 4.03 -2.45 -0.32 -4.94 119.30 126.34 2q3r s MET 18 Ca 0.04 -2.10 0.00 0.00 -1.25 0.00 0.00 55.69 52.37 2q3r s MET 18 Cb -0.16 -4.17 0.00 0.00 1.25 0.00 0.00 34.83 31.74 2q3r s MET 18 CO 0.02 -1.26 0.00 0.41 1.05 0.00 0.00 175.02 175.24 2q3r n GLY 19 N 4.47 1.63 0.88 2.11 0.00 -1.26 -0.57 105.19 112.45 2q3r n GLY 19 Ca 0.00 0.38 0.11 0.00 0.00 0.00 0.00 46.02 46.51 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 1.46 2.02 -3.76 1.61 3.00 -1.26 -4.95 116.66 114.78 2q3r n ARG 20 Ca 0.00 -1.84 -0.36 0.00 -0.00 0.00 0.00 57.85 55.65 2q3r n ARG 20 Cb 0.00 -1.42 -0.07 0.00 0.00 0.00 0.00 32.46 30.98 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 -1.69 3.52 -0.50 -0.14 0.40 0.27 -5.07 117.98 114.77 2q3r s PHE 21 Ca 0.27 0.49 -0.17 0.00 -0.60 0.00 0.00 56.93 56.92 2q3r s PHE 21 Cb 0.18 -2.09 0.07 0.00 0.51 0.00 0.00 43.02 41.69 2q3r s PHE 21 CO 0.27 0.50 0.51 -0.80 0.70 0.00 0.00 175.22 176.40 2q3r s ASN 22 N -0.33 6.18 -0.01 1.36 0.01 -1.26 -1.17 114.94 119.72 2q3r s ASN 22 Ca 0.13 -1.20 -0.15 0.00 -0.71 0.00 0.00 52.86 50.93 2q3r s ASN 22 Cb -0.12 -2.23 -0.06 0.00 0.41 0.00 0.00 41.25 39.25 2q3r s ASN 22 CO 0.02 -0.78 0.41 -0.76 -1.51 0.00 0.00 177.10 174.48 2q3r s LEU 23 N 2.08 4.46 0.22 0.60 1.43 -0.25 -4.69 118.68 122.53 2q3r s LEU 23 Ca 0.09 0.95 0.12 0.00 -1.03 0.00 0.00 54.13 54.25 2q3r s LEU 23 Cb -0.23 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 2q3r s LEU 23 CO 0.08 0.31 1.38 0.28 0.23 0.00 0.00 176.35 178.63 2q3r h SER 24 N 4.84 0.00 -5.23 2.29 0.02 -1.40 -1.16 113.55 112.90 2q3r h SER 24 Ca -0.51 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.36 2q3r h SER 24 Cb 1.22 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.69 2q3r h SER 24 CO 0.62 0.68 -0.01 -1.38 -1.14 0.00 0.00 176.83 175.60 2q3r s HIS 25 N -2.87 0.40 -2.33 3.45 0.00 -1.26 -2.64 115.29 110.04 2q3r s HIS 25 Ca 0.03 -0.81 0.23 0.00 -3.00 0.00 0.00 55.06 51.51 2q3r s HIS 25 Cb 0.08 0.32 0.46 0.00 -4.00 0.00 0.00 32.58 29.45 2q3r s HIS 25 CO 0.77 -1.17 1.42 0.54 -1.00 0.00 0.00 174.74 175.30 2q3r n ARG 26 N -0.46 2.54 -2.81 -0.38 1.74 0.74 -4.77 116.66 113.27 2q3r n ARG 26 Ca -0.03 -2.36 -0.43 0.00 -0.77 0.00 0.00 57.85 54.27 2q3r n ARG 26 Cb 0.61 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 30.50 2q3r n ARG 26 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2q3r s VAL 27 N -1.37 4.35 0.35 1.55 1.01 -1.25 -0.32 120.40 124.71 2q3r s VAL 27 Ca 0.40 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 2q3r s VAL 27 Cb 0.23 -4.80 -0.08 0.00 0.00 0.00 0.00 36.38 31.73 2q3r s VAL 27 CO 0.32 -1.59 0.73 -0.69 0.00 0.00 0.00 175.10 173.87 2q3r s VAL 28 N 3.88 4.75 -0.40 2.92 1.01 0.74 -4.56 120.40 128.73 2q3r s VAL 28 Ca 0.31 0.76 -0.23 0.00 0.00 0.00 0.00 61.98 62.82 2q3r s VAL 28 Cb -0.09 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.64 2q3r s VAL 28 CO 0.00 -0.32 0.79 -0.22 0.00 0.00 0.00 175.10 175.36 2q3r s LEU 29 N -3.33 4.16 0.48 3.92 2.96 0.15 -2.27 118.68 124.75 2q3r s LEU 29 Ca 0.52 0.17 -0.22 0.00 -0.22 0.00 0.00 54.13 54.38 2q3r s LEU 29 Cb -0.10 -3.01 -0.07 0.00 0.50 0.00 0.00 46.19 43.50 2q3r s LEU 29 CO 0.23 -0.82 1.15 0.00 -1.32 0.00 0.00 176.35 175.59 2q3r s ALA 30 N 3.21 2.90 0.20 5.97 0.00 -1.05 0.60 121.76 133.58 2q3r s ALA 30 Ca 0.31 0.88 -0.31 0.00 0.00 0.00 0.00 51.96 52.85 2q3r s ALA 30 Cb -0.13 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.53 2q3r s ALA 30 CO 0.20 -0.65 1.49 -1.25 0.00 0.00 0.00 175.76 175.54 2q3r s PRO 31 N -2.86 4.25 -0.25 0.00 0.04 -1.22 -4.67 135.00 130.29 2q3r s PRO 31 Ca 0.66 2.31 -0.04 0.00 0.04 0.00 0.00 61.00 63.97 2q3r s PRO 31 Cb -0.27 -3.14 0.08 0.00 0.04 0.00 0.00 34.50 31.22 2q3r s PRO 31 CO 0.32 -0.51 0.11 -0.51 0.04 0.00 0.00 177.00 176.45 2q3r s LEU 32 N 0.43 0.70 -0.06 -3.56 1.43 -1.26 -4.84 118.68 111.52 2q3r s LEU 32 Ca 0.65 -1.07 -0.29 0.00 -1.03 0.00 0.00 54.13 52.38 2q3r s LEU 32 Cb -0.42 -0.39 -0.07 0.00 0.03 0.00 0.00 46.19 45.34 2q3r s LEU 32 CO 0.37 -0.40 1.98 -0.89 0.23 0.00 0.00 176.35 177.64 2q3r s THR 33 N 2.05 3.12 -0.13 5.49 2.01 -1.26 -4.27 115.64 122.64 2q3r s THR 33 Ca 0.06 0.13 0.08 0.00 0.31 0.00 0.00 61.69 62.28 2q3r s THR 33 Cb -0.16 -3.10 -0.11 0.00 0.01 0.00 0.00 72.50 69.13 2q3r s THR 33 CO -0.25 -0.03 0.23 0.54 -0.69 0.00 0.00 174.62 174.42 2q3r n ARG 34 N 7.84 1.60 -3.62 4.92 5.12 -1.26 -4.80 116.66 126.47 2q3r n ARG 34 Ca 0.22 -0.05 -0.28 0.00 -1.93 0.00 0.00 57.85 55.81 2q3r n ARG 34 Cb 0.43 -1.09 0.04 0.00 -1.16 0.00 0.00 32.46 30.68 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 -1.59 -1.78 0.00 5.56 6.02 -1.26 -4.36 117.38 119.96 2q3r n GLN 35 Ca -0.01 0.54 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 2q3r n GLN 35 Cb 0.18 -4.52 0.00 0.00 1.02 0.00 0.00 30.24 26.93 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 -4.04 0.96 -2.26 -1.09 1.74 -1.20 -4.48 116.66 106.30 2q3r n ARG 36 Ca -0.11 -0.07 -0.34 0.00 -0.77 0.00 0.00 57.85 56.56 2q3r n ARG 36 Cb 0.61 -0.38 -0.04 0.00 -1.02 0.00 0.00 32.46 31.63 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 -0.16 5.70 -0.39 0.55 0.01 0.11 -4.80 113.70 114.72 2q3r s SER 37 Ca 0.00 -1.81 -0.40 0.00 1.31 0.00 0.00 55.95 55.05 2q3r s SER 37 Cb 0.00 -2.58 -0.16 0.00 0.21 0.00 0.00 66.02 63.49 2q3r s SER 37 CO 0.00 -2.35 2.02 -1.22 0.41 0.00 0.00 173.24 172.10 2q3r n TYR 38 N 12.12 1.59 -0.92 2.43 0.53 -1.25 0.55 117.16 132.19 2q3r n TYR 38 Ca 0.45 0.57 0.00 0.00 -1.02 0.00 0.00 57.90 57.90 2q3r n TYR 38 Cb 0.47 -2.41 0.00 0.00 -1.03 0.00 0.00 39.34 36.36 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 6.07 0.82 1.49 2.72 0.00 -1.26 -3.36 105.19 111.66 2q3r n GLY 39 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 0.00 -1.28 -4.61 1.61 3.02 0.19 -4.91 115.26 109.29 2q3r n ASN 40 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.19 2q3r n ASN 40 Cb 0.00 -0.21 -0.10 0.00 -0.61 0.00 0.00 39.78 38.86 2q3r n ASN 40 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2q3r s VAL 41 N -2.43 4.91 0.36 2.41 1.01 -1.21 -2.08 120.40 123.37 2q3r s VAL 41 Ca 0.00 0.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.75 2q3r s VAL 41 Cb 0.00 -3.26 -0.13 0.00 0.00 0.00 0.00 36.38 32.99 2q3r s VAL 41 CO 0.00 0.40 0.82 -2.65 0.00 0.00 0.00 175.10 173.66 2q3r n PRO 42 N 4.04 0.98 -4.21 2.72 -0.02 -1.26 -3.94 135.00 133.31 2q3r n PRO 42 Ca -0.16 0.35 -0.27 0.00 -2.02 0.00 0.00 63.50 61.40 2q3r n PRO 42 Cb 0.52 -1.71 -0.08 0.00 -0.02 0.00 0.00 33.50 32.21 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 -1.64 2.38 0.36 -0.52 -1.52 -1.26 -4.82 119.66 112.63 2q3r s GLN 43 Ca 0.62 -1.11 0.22 0.00 -1.95 0.00 0.00 55.36 53.14 2q3r s GLN 43 Cb -0.65 -2.35 1.22 0.00 -0.22 0.00 0.00 33.01 31.01 2q3r s GLN 43 CO 0.58 0.46 1.67 -1.35 -0.25 0.00 0.00 175.29 176.40 2q3r h PRO 44 N 2.75 0.00 0.00 2.91 0.11 -1.93 0.32 132.00 136.16 2q3r h PRO 44 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2q3r h PRO 44 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2q3r h PRO 44 CO 0.58 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.98 2q3r n HIS 45 N -2.30 0.00 0.03 0.65 1.44 -1.26 -2.04 115.22 111.73 2q3r n HIS 45 Ca -0.01 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.54 2q3r n HIS 45 Cb 0.08 -0.49 -0.14 0.00 0.12 0.00 0.00 29.99 29.56 2q3r n HIS 45 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2q3r h ALA 46 N 2.62 0.45 -0.79 1.59 0.00 -0.74 -2.87 119.26 119.51 2q3r h ALA 46 Ca 0.00 -1.26 0.09 0.00 0.00 0.00 0.00 54.91 53.74 2q3r h ALA 46 Cb 0.30 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 2q3r h ALA 46 CO 0.00 1.30 0.44 0.00 0.00 0.00 0.00 179.25 181.00 2q3r h ALA 47 N 0.56 1.12 0.48 0.00 0.00 -1.49 0.56 119.26 120.50 2q3r h ALA 47 Ca -0.28 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2q3r h ALA 47 Cb 2.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2q3r h ALA 47 CO 0.12 0.06 -0.23 0.82 0.00 0.00 0.00 179.25 180.02 2q3r h ILE 48 N 0.74 0.00 -0.97 0.00 1.08 -1.65 -2.33 117.51 114.38 2q3r h ILE 48 Ca 0.38 -0.49 0.15 0.00 -0.39 0.00 0.00 64.86 64.52 2q3r h ILE 48 Cb 0.36 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.95 2q3r h ILE 48 CO -0.25 0.00 -0.38 0.22 -0.69 0.00 0.00 178.15 177.05 2q3r h TYR 49 N -1.14 -1.05 -0.14 1.37 3.20 -1.25 0.60 116.97 118.57 2q3r h TYR 49 Ca -0.07 0.10 -0.16 0.00 3.14 0.00 0.00 58.73 61.75 2q3r h TYR 49 Cb 0.50 0.60 0.01 0.00 1.54 0.00 0.00 36.73 39.37 2q3r h TYR 49 CO 0.00 -0.41 -0.54 1.88 -1.64 0.00 0.00 178.16 177.46 2q3r h TYR 50 N -0.01 0.82 -0.84 -3.82 0.05 -1.02 -3.10 116.97 109.06 2q3r h TYR 50 Ca 0.35 -0.34 0.04 0.00 0.05 0.00 0.00 58.73 58.82 2q3r h TYR 50 Cb 0.60 -0.13 -0.05 0.00 1.01 0.00 0.00 36.73 38.16 2q3r h TYR 50 CO -0.85 1.13 0.53 1.03 -1.05 0.00 0.00 178.16 178.95 2q3r h SER 51 N 0.27 0.87 -0.22 3.88 0.87 -0.66 -2.24 113.55 116.32 2q3r h SER 51 Ca -0.03 -0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.57 2q3r h SER 51 Cb 1.17 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.90 2q3r h SER 51 CO 0.11 0.59 -0.04 1.56 -0.53 0.00 0.00 176.83 178.52 2q3r h GLN 52 N 1.02 0.02 -0.27 2.24 4.20 0.15 -1.53 115.11 120.94 2q3r h GLN 52 Ca 0.34 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 2q3r h GLN 52 Cb 0.04 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2q3r h GLN 52 CO -0.13 0.01 0.00 0.54 -0.67 0.00 0.00 178.83 178.58 2q3r n ARG 53 N -5.19 0.91 -3.66 1.46 1.74 -0.88 -4.68 116.66 106.34 2q3r n ARG 53 Ca -0.02 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.69 2q3r n ARG 53 Cb 0.13 -1.13 -0.07 0.00 -1.02 0.00 0.00 32.46 30.37 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 -1.71 5.33 0.04 0.55 2.01 -0.58 -4.96 115.64 116.33 2q3r s THR 54 Ca 0.00 0.45 0.05 0.00 0.31 0.00 0.00 61.69 62.50 2q3r s THR 54 Cb 0.00 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 2q3r s THR 54 CO 0.00 0.51 -0.15 0.42 -0.69 0.00 0.00 174.62 174.71 2q3r s THR 55 N -0.33 1.17 0.11 -0.82 -4.23 -1.26 -5.03 115.64 105.26 2q3r s THR 55 Ca 0.16 -1.06 -0.31 0.00 -1.18 0.00 0.00 61.69 59.30 2q3r s THR 55 Cb -0.13 -1.06 -0.09 0.00 1.34 0.00 0.00 72.50 72.55 2q3r s THR 55 CO 0.05 -0.01 1.70 -2.84 -0.54 0.00 0.00 174.62 172.98 2q3r s PRO 56 N -1.23 4.18 0.00 3.99 0.02 -1.21 -0.68 135.00 140.07 2q3r s PRO 56 Ca 0.02 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.48 2q3r s PRO 56 Cb -0.08 -3.49 0.00 0.00 0.02 0.00 0.00 34.50 30.95 2q3r s PRO 56 CO 0.01 -0.75 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 2q3r n GLY 57 N 4.03 1.46 3.79 0.52 0.00 -1.26 -4.52 105.19 109.21 2q3r n GLY 57 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.89 2.70 -0.19 -0.02 0.00 0.14 -1.24 107.32 106.82 2q3r s GLY 58 Ca 0.00 0.58 -0.09 0.00 0.00 0.00 0.00 44.72 45.21 2q3r s GLY 58 CO 0.00 0.99 0.10 -0.12 0.00 0.00 0.00 173.10 174.07 2q3r s PHE 59 N -1.73 3.35 -0.05 1.90 5.99 -1.26 -2.92 117.98 123.26 2q3r s PHE 59 Ca 0.55 0.24 0.06 0.00 0.00 0.00 0.00 56.93 57.78 2q3r s PHE 59 Cb -0.18 -2.11 -0.02 0.00 0.00 0.00 0.00 43.02 40.71 2q3r s PHE 59 CO 0.23 0.26 -0.23 -0.51 -0.00 0.00 0.00 175.22 174.98 2q3r s LEU 60 N 0.28 2.21 -0.17 6.12 1.02 -0.84 0.32 118.68 127.62 2q3r s LEU 60 Ca 0.06 -0.44 0.00 0.00 0.02 0.00 0.00 54.13 53.78 2q3r s LEU 60 Cb -0.12 -1.40 0.01 0.00 0.02 0.00 0.00 46.19 44.70 2q3r s LEU 60 CO -0.01 0.28 -0.16 -0.63 0.02 0.00 0.00 176.35 175.85 2q3r s ILE 61 N -0.38 2.50 0.82 -0.59 1.01 0.20 -2.13 121.20 122.62 2q3r s ILE 61 Ca 0.03 -0.81 -0.11 0.00 0.00 0.00 0.00 60.65 59.76 2q3r s ILE 61 Cb -0.12 -2.06 0.08 0.00 0.01 0.00 0.00 42.46 40.37 2q3r s ILE 61 CO 0.02 0.52 1.09 0.42 0.00 0.00 0.00 174.94 176.98 2q3r s THR 62 N 1.03 3.08 0.90 2.92 -4.23 -1.09 -3.44 115.64 114.80 2q3r s THR 62 Ca -0.01 0.35 -0.10 0.00 -1.18 0.00 0.00 61.69 60.74 2q3r s THR 62 Cb -0.15 -2.83 0.14 0.00 1.34 0.00 0.00 72.50 71.00 2q3r s THR 62 CO -0.04 -0.46 1.14 -1.83 -0.54 0.00 0.00 174.62 172.89 2q3r s GLU 63 N -4.91 1.15 0.37 3.99 -1.05 -1.26 -4.07 118.70 112.92 2q3r s GLU 63 Ca 0.62 1.47 -0.27 0.00 -0.15 0.00 0.00 54.97 56.64 2q3r s GLU 63 Cb -0.18 -1.75 -0.11 0.00 -0.44 0.00 0.00 34.13 31.65 2q3r s GLU 63 CO 0.56 -2.52 1.37 0.00 0.95 0.00 0.00 175.26 175.63 2q3r n ALA 64 N -4.15 1.75 -3.87 -0.84 0.00 -1.26 -4.35 120.51 107.79 2q3r n ALA 64 Ca 0.11 0.33 -0.26 0.00 0.00 0.00 0.00 53.44 53.62 2q3r n ALA 64 Cb 0.52 -2.33 -0.17 0.00 0.00 0.00 0.00 19.45 17.47 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 -1.13 0.91 0.26 0.00 2.01 0.49 -4.58 115.64 113.61 2q3r s THR 65 Ca 0.56 -0.22 -0.29 0.00 0.31 0.00 0.00 61.69 62.04 2q3r s THR 65 Cb -0.52 -0.95 -0.14 0.00 0.01 0.00 0.00 72.50 70.90 2q3r s THR 65 CO 0.62 0.35 1.13 0.61 -0.69 0.00 0.00 174.62 176.64 2q3r n GLY 66 N 4.95 0.06 0.01 4.40 0.00 -0.73 -2.29 105.19 111.59 2q3r n GLY 66 Ca -0.12 0.39 0.10 0.00 0.00 0.00 0.00 46.02 46.40 2q3r n GLY 66 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2q3r n VAL 67 N 0.76 0.02 -3.66 1.61 0.24 -1.16 0.22 118.33 116.35 2q3r n VAL 67 Ca 0.10 -0.10 -0.07 0.00 -2.04 0.00 0.00 64.34 62.23 2q3r n VAL 67 Cb 0.31 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.38 2q3r n VAL 67 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2q3r n SER 68 N -1.66 -1.26 -0.03 -1.34 3.41 -1.26 -4.55 113.62 106.92 2q3r n SER 68 Ca 0.03 -2.11 0.14 0.00 -0.26 0.00 0.00 58.87 56.67 2q3r n SER 68 Cb 0.38 2.17 0.67 0.00 -0.26 0.00 0.00 64.21 67.17 2q3r n SER 68 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2q3r n ASP 69 N -1.52 0.15 -0.14 4.04 5.68 -1.26 -3.23 116.55 120.26 2q3r n ASP 69 Ca -0.03 -0.14 0.02 0.00 -0.50 0.00 0.00 54.79 54.13 2q3r n ASP 69 Cb 0.38 -0.24 0.02 0.00 -1.14 0.00 0.00 41.12 40.14 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 -1.25 0.03 1.97 2.12 -2.24 -1.26 -4.37 114.28 109.27 2q3r n THR 70 Ca 0.12 -0.52 0.14 0.00 -2.27 0.00 0.00 64.05 61.53 2q3r n THR 70 Cb 0.27 1.05 0.81 0.00 -2.10 0.00 0.00 70.33 70.37 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 0.18 2.66 -2.87 6.98 0.00 -1.20 -4.76 120.51 121.50 2q3r n ALA 71 Ca 0.02 -0.19 -0.36 0.00 0.00 0.00 0.00 53.44 52.91 2q3r n ALA 71 Cb 0.09 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.05 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 -2.00 3.39 0.00 0.00 1.11 -1.26 -1.75 119.66 119.16 2q3r s GLN 72 Ca 0.42 -0.22 0.00 0.00 0.01 0.00 0.00 55.36 55.57 2q3r s GLN 72 Cb 0.19 -3.12 0.00 0.00 -1.01 0.00 0.00 33.01 29.07 2q3r s GLN 72 CO 0.32 0.74 0.11 0.41 0.01 0.00 0.00 175.29 176.88 2q3r n GLY 73 N 1.64 0.45 2.98 3.09 0.00 -1.26 -4.74 105.19 107.34 2q3r n GLY 73 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.13 0.46 0.60 1.61 2.02 -1.26 -4.63 117.35 116.02 2q3r s TYR 74 Ca 0.00 -0.19 -0.14 0.00 -0.37 0.00 0.00 57.07 56.37 2q3r s TYR 74 Cb 0.00 -0.29 -0.04 0.00 -0.40 0.00 0.00 41.96 41.23 2q3r s TYR 74 CO 0.00 -0.03 1.03 1.14 -1.57 0.00 0.00 175.55 176.12 2q3r s GLN 75 N -0.50 3.47 0.00 -0.62 -2.07 -1.26 -3.84 119.66 114.84 2q3r s GLN 75 Ca -0.02 0.98 0.00 0.00 -1.82 0.00 0.00 55.36 54.51 2q3r s GLN 75 Cb -0.04 -2.06 0.00 0.00 -1.09 0.00 0.00 33.01 29.82 2q3r s GLN 75 CO -0.00 -0.67 0.00 -0.25 -1.32 0.00 0.00 175.29 173.05 2q3r n ASP 76 N -2.30 -0.03 -4.68 12.60 8.00 -1.26 -4.74 116.55 124.15 2q3r n ASP 76 Ca 0.07 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.15 2q3r n ASP 76 Cb 0.54 -2.32 -0.02 0.00 -0.02 0.00 0.00 41.12 39.29 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 -1.22 4.76 1.14 -3.53 -4.23 -1.25 0.09 115.64 111.40 2q3r s THR 77 Ca 0.00 2.04 -0.18 0.00 -1.18 0.00 0.00 61.69 62.37 2q3r s THR 77 Cb 0.00 -4.31 0.16 0.00 1.34 0.00 0.00 72.50 69.69 2q3r s THR 77 CO 0.00 -0.02 0.23 -0.81 -0.54 0.00 0.00 174.62 173.48 2q3r n PRO 78 N 5.19 -2.15 -4.22 3.99 -0.04 -1.26 -4.49 135.00 132.02 2q3r n PRO 78 Ca 0.09 -0.62 -0.14 0.00 -0.04 0.00 0.00 63.50 62.79 2q3r n PRO 78 Cb 0.48 -1.72 -0.10 0.00 -0.04 0.00 0.00 33.50 32.13 2q3r n PRO 78 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2q3r s GLY 79 N -2.02 1.68 -0.27 0.55 0.00 -0.88 -1.77 107.32 104.60 2q3r s GLY 79 Ca 0.55 -1.80 0.20 0.00 0.00 0.00 0.00 44.72 43.67 2q3r s GLY 79 CO 0.59 -1.42 1.12 4.51 0.00 0.00 0.00 173.10 177.90 2q3r n ILE 80 N -0.36 1.48 0.66 0.90 3.06 0.59 -4.62 119.36 121.07 2q3r n ILE 80 Ca 0.03 -3.14 0.08 0.00 -2.50 0.00 0.00 62.75 57.22 2q3r n ILE 80 Cb 0.65 0.89 0.03 0.00 0.54 0.00 0.00 39.64 41.75 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 -0.62 0.00 -4.78 9.51 2.14 -1.24 -4.83 117.44 117.63 2q3r n TRP 81 Ca 0.13 0.00 -0.28 0.00 2.07 0.00 0.00 57.50 59.43 2q3r n TRP 81 Cb 0.83 0.00 -0.14 0.00 -0.81 0.00 0.00 31.31 31.18 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 -1.57 1.89 0.45 -1.67 -4.23 -1.26 -4.99 115.64 104.26 2q3r s THR 82 Ca 0.15 -1.28 0.24 0.00 -1.18 0.00 0.00 61.69 59.63 2q3r s THR 82 Cb 0.13 -1.63 0.44 0.00 1.34 0.00 0.00 72.50 72.78 2q3r s THR 82 CO 0.29 0.29 1.80 0.11 -0.54 0.00 0.00 174.62 176.57 2q3r h LYS 83 N 4.86 0.25 0.27 3.99 1.57 -1.99 0.33 116.57 125.86 2q3r h LYS 83 Ca -0.44 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.31 2q3r h LYS 83 Cb 1.15 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2q3r h LYS 83 CO 0.44 0.16 -0.13 1.49 -0.57 0.00 0.00 179.45 180.84 2q3r h GLU 84 N 0.26 -0.35 -0.20 3.15 4.81 -2.00 -0.56 114.58 119.69 2q3r h GLU 84 Ca 0.56 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.86 2q3r h GLU 84 Cb 1.70 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 31.11 2q3r h GLU 84 CO -0.19 -0.18 -0.09 0.45 -0.73 0.00 0.00 179.01 178.27 2q3r h HIS 85 N -0.44 -0.21 -0.76 0.92 3.86 -0.77 -2.29 115.15 115.46 2q3r h HIS 85 Ca -0.04 0.02 0.15 0.00 -1.16 0.00 0.00 60.37 59.35 2q3r h HIS 85 Cb 0.33 0.13 -0.10 0.00 1.06 0.00 0.00 27.41 28.83 2q3r h HIS 85 CO -0.04 -0.14 0.28 0.28 0.86 0.00 0.00 177.93 179.17 2q3r h VAL 86 N -0.07 0.61 0.00 2.45 2.07 -0.81 -0.53 116.25 119.97 2q3r h VAL 86 Ca 0.11 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.39 2q3r h VAL 86 Cb 0.23 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2q3r h VAL 86 CO -0.24 0.07 -0.47 -0.33 0.02 0.00 0.00 177.57 176.62 2q3r h GLU 87 N 0.40 0.00 -0.20 1.57 4.39 -0.57 -1.39 114.58 118.78 2q3r h GLU 87 Ca 0.43 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.97 2q3r h GLU 87 Cb 0.69 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2q3r h GLU 87 CO -0.44 0.47 -0.54 0.00 -1.16 0.00 0.00 179.01 177.34 2q3r h ALA 88 N 1.53 0.68 -0.12 3.43 0.00 -0.80 -3.26 119.26 120.71 2q3r h ALA 88 Ca -0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 2q3r h ALA 88 Cb 0.98 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2q3r h ALA 88 CO 0.06 0.69 -0.12 -1.49 0.00 0.00 0.00 179.25 178.39 2q3r h TRP 89 N 0.46 0.35 -0.71 0.00 4.06 -0.68 -3.35 115.95 116.09 2q3r h TRP 89 Ca 0.01 -0.10 0.06 0.00 2.06 0.00 0.00 58.89 60.92 2q3r h TRP 89 Cb 1.09 -0.07 -0.09 0.00 -1.00 0.00 0.00 29.16 29.09 2q3r h TRP 89 CO 0.05 0.70 -0.42 1.63 -3.56 0.00 0.00 178.44 176.83 2q3r n LYS 90 N -4.61 -0.31 0.27 0.49 5.02 -0.57 0.95 118.16 119.39 2q3r n LYS 90 Ca -0.06 1.13 0.16 0.00 -2.02 0.00 0.00 58.31 57.52 2q3r n LYS 90 Cb 0.34 -1.67 0.88 0.00 -0.02 0.00 0.00 35.03 34.56 2q3r n LYS 90 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2q3r h PRO 91 N 0.00 0.00 -0.32 1.97 0.13 -1.71 -1.62 132.00 130.45 2q3r h PRO 91 Ca 0.11 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 2q3r h PRO 91 Cb 0.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.41 2q3r h PRO 91 CO -0.67 0.00 0.03 0.82 -0.23 0.00 0.00 178.00 177.95 2q3r h ILE 92 N 0.00 1.25 0.00 -3.56 2.04 0.43 -2.50 117.51 115.16 2q3r h ILE 92 Ca 0.03 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 2q3r h ILE 92 Cb 0.17 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2q3r h ILE 92 CO -0.00 0.29 -0.00 0.58 0.00 0.00 0.00 178.15 179.02 2q3r h VAL 93 N 0.35 0.98 -0.25 1.67 2.07 -0.83 -2.78 116.25 117.46 2q3r h VAL 93 Ca 0.09 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 67.54 2q3r h VAL 93 Cb 0.39 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2q3r h VAL 93 CO 0.01 0.00 -0.11 0.44 0.02 0.00 0.00 177.57 177.93 2q3r h ASP 94 N 0.00 0.54 0.23 0.57 3.32 -1.07 0.21 116.42 120.22 2q3r h ASP 94 Ca -0.00 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2q3r h ASP 94 Cb 0.00 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2q3r h ASP 94 CO 0.00 0.82 0.00 0.00 -1.72 0.00 0.00 179.24 178.34 2q3r n ALA 95 N -2.42 1.87 -0.08 3.45 0.00 -1.06 0.01 120.51 122.29 2q3r n ALA 95 Ca -0.04 -0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.22 2q3r n ALA 95 Cb 0.34 -1.24 -0.10 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.24 1.01 0.08 0.00 0.31 -0.90 -4.16 118.33 113.44 2q3r n VAL 96 Ca 0.08 -0.48 -0.14 0.00 -0.01 0.00 0.00 64.34 63.79 2q3r n VAL 96 Cb 0.11 -0.93 -0.14 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 0.00 0.35 0.00 3.52 -0.00 -0.32 -2.32 115.15 116.37 2q3r h HIS 97 Ca -0.40 -0.25 0.00 0.00 -0.00 0.00 0.00 60.37 59.72 2q3r h HIS 97 Cb 1.73 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 29.13 2q3r h HIS 97 CO 0.01 1.22 0.00 0.00 -0.00 0.00 0.00 177.93 179.16 2q3r h ALA 98 N 0.69 1.00 -0.07 2.45 0.00 -0.65 -2.54 119.26 120.14 2q3r h ALA 98 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2q3r h ALA 98 Cb 1.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.72 2q3r h ALA 98 CO 0.17 0.00 0.00 1.63 0.00 0.00 0.00 179.25 181.05 2q3r n LYS 99 N -2.54 2.01 0.00 0.00 5.02 -1.21 -5.07 118.16 116.37 2q3r n LYS 99 Ca 0.03 -1.82 0.00 0.00 -2.02 0.00 0.00 58.31 54.50 2q3r n LYS 99 Cb 0.33 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 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 1.21 0.55 0.00 0.72 0.00 -0.88 -3.30 105.19 103.50 2q3r n GLY 100 Ca 0.13 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.46 2q3r n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q3r n GLY 101 N 0.70 -2.68 3.76 -0.02 0.00 -1.26 -4.22 105.19 101.47 2q3r n GLY 101 Ca 0.00 -1.40 -0.37 0.00 0.00 0.00 0.00 46.02 44.26 2q3r n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2q3r s ILE 102 N -3.36 2.82 -0.44 -0.61 1.09 -1.15 -4.73 121.20 114.82 2q3r s ILE 102 Ca 0.00 0.58 0.05 0.00 -1.10 0.00 0.00 60.65 60.17 2q3r s ILE 102 Cb 0.00 -3.27 0.17 0.00 -1.06 0.00 0.00 42.46 38.30 2q3r s ILE 102 CO 0.00 -0.05 0.47 0.12 -0.10 0.00 0.00 174.94 175.38 2q3r s PHE 103 N -1.55 -0.02 0.61 3.97 5.36 -1.26 -1.98 117.98 123.11 2q3r s PHE 103 Ca 0.70 -1.50 -0.13 0.00 -0.96 0.00 0.00 56.93 55.04 2q3r s PHE 103 Cb -0.30 -0.43 -0.04 0.00 -0.34 0.00 0.00 43.02 41.90 2q3r s PHE 103 CO 0.35 -1.00 1.03 -0.06 -1.46 0.00 0.00 175.22 174.09 2q3r s PHE 104 N 0.57 3.38 -0.17 10.12 0.40 -0.91 -3.10 117.98 128.27 2q3r s PHE 104 Ca 0.29 1.39 -0.04 0.00 -0.60 0.00 0.00 56.93 57.97 2q3r s PHE 104 Cb -0.01 -2.81 -0.02 0.00 0.51 0.00 0.00 43.02 40.68 2q3r s PHE 104 CO -0.12 -0.80 -0.03 0.00 0.70 0.00 0.00 175.22 174.97 2q3r s GLN 106 N 0.65 4.07 0.06 0.00 0.74 -1.26 -1.52 119.66 122.41 2q3r s GLN 106 Ca -0.02 0.18 0.06 0.00 0.05 0.00 0.00 55.36 55.63 2q3r s GLN 106 Cb -0.14 -3.62 -0.04 0.00 1.10 0.00 0.00 33.01 30.31 2q3r s GLN 106 CO 0.02 -0.24 -0.14 0.96 -0.55 0.00 0.00 175.29 175.35 2q3r s ILE 107 N 1.95 3.12 0.28 -2.34 -4.36 -1.09 -0.38 121.20 118.39 2q3r s ILE 107 Ca 0.18 -1.15 -0.06 0.00 -0.26 0.00 0.00 60.65 59.36 2q3r s ILE 107 Cb -0.15 -2.38 -0.01 0.00 1.25 0.00 0.00 42.46 41.17 2q3r s ILE 107 CO 0.09 0.27 0.40 -1.66 0.24 0.00 0.00 174.94 174.28 2q3r s TRP 108 N -1.04 0.85 -0.04 1.37 1.48 -0.97 -2.74 118.94 117.85 2q3r s TRP 108 Ca 0.17 -1.11 -0.01 0.00 -1.06 0.00 0.00 56.10 54.09 2q3r s TRP 108 Cb -0.11 -0.10 0.03 0.00 -1.16 0.00 0.00 33.47 32.13 2q3r s TRP 108 CO 0.08 -0.97 0.03 -1.58 -4.06 0.00 0.00 176.95 170.45 2q3r s HIS 109 N -3.66 0.24 -1.20 1.66 2.46 -1.26 -3.01 115.29 110.53 2q3r s HIS 109 Ca 0.30 0.09 0.15 0.00 0.47 0.00 0.00 55.06 56.07 2q3r s HIS 109 Cb 0.01 -0.49 0.72 0.00 -0.13 0.00 0.00 32.58 32.69 2q3r s HIS 109 CO 0.15 -0.19 1.47 1.33 -2.47 0.00 0.00 174.74 175.03 2q3r n VAL 110 N 4.81 0.76 -0.25 0.89 0.24 -0.71 -2.32 118.33 121.75 2q3r n VAL 110 Ca -0.14 0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 2q3r n VAL 110 Cb 0.50 -0.93 0.00 0.00 -1.47 0.00 0.00 33.84 31.94 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 0.06 3.09 0.60 7.63 0.00 -1.26 -0.81 105.19 114.50 2q3r n GLY 111 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.67 -3.56 1.61 1.85 -0.93 -4.20 116.66 126.10 2q3r n ARG 112 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 2q3r n ARG 112 Cb 0.00 -1.30 -0.08 0.00 -1.05 0.00 0.00 32.46 30.03 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 0.26 2.72 -3.06 8.89 0.31 0.01 -4.75 118.33 122.71 2q3r n VAL 113 Ca 0.00 -5.19 0.00 0.00 -0.01 0.00 0.00 64.34 59.14 2q3r n VAL 113 Cb 0.20 -2.20 0.00 0.00 -0.91 0.00 0.00 33.84 30.93 2q3r n VAL 113 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2q3r n SER 114 N 1.59 0.00 -4.13 4.52 3.41 -1.26 -4.27 113.62 113.48 2q3r n SER 114 Ca 0.25 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.77 2q3r n SER 114 Cb 0.37 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.22 2q3r n SER 114 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2q3r s ASN 115 N -4.00 0.34 0.56 4.04 4.22 -1.26 -2.96 114.94 115.89 2q3r s ASN 115 Ca 0.00 -1.15 0.31 0.00 -2.14 0.00 0.00 52.86 49.87 2q3r s ASN 115 Cb 0.00 0.28 1.46 0.00 1.28 0.00 0.00 41.25 44.26 2q3r s ASN 115 CO 0.00 -0.70 1.85 0.28 -2.04 0.00 0.00 177.10 176.49 2q3r h SER 116 N 2.92 0.00 0.36 3.54 0.02 -1.85 0.37 113.55 118.91 2q3r h SER 116 Ca -0.35 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2q3r h SER 116 Cb 1.19 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 2q3r h SER 116 CO 0.60 0.00 -0.02 1.23 -1.14 0.00 0.00 176.83 177.51 2q3r h GLY 117 N 0.00 0.00 -0.58 -3.77 0.00 -1.86 -1.56 103.07 95.29 2q3r h GLY 117 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2q3r h GLY 117 CO -0.00 0.00 -0.61 0.69 0.00 0.00 0.00 176.54 176.62 2q3r n PHE 118 N -3.19 0.00 -4.06 5.60 3.72 0.13 -4.95 117.46 114.71 2q3r n PHE 118 Ca -0.02 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.03 2q3r n PHE 118 Cb 0.16 -0.02 -0.07 0.00 -0.94 0.00 0.00 39.48 38.62 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 -2.64 3.24 0.52 -1.08 -1.52 -0.59 -4.71 119.66 112.88 2q3r s GLN 119 Ca 0.16 -0.30 -0.22 0.00 -1.95 0.00 0.00 55.36 53.05 2q3r s GLN 119 Cb 0.18 -3.01 -0.06 0.00 -0.22 0.00 0.00 33.01 29.89 2q3r s GLN 119 CO 0.66 0.72 1.27 -2.30 -0.25 0.00 0.00 175.29 175.39 2q3r n PRO 120 N 1.74 1.65 -1.33 2.91 -0.02 -1.26 -1.37 135.00 137.32 2q3r n PRO 120 Ca -0.17 0.60 -0.12 0.00 -2.02 0.00 0.00 63.50 61.80 2q3r n PRO 120 Cb 0.54 -2.46 -0.05 0.00 -0.02 0.00 0.00 33.50 31.51 2q3r n PRO 120 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2q3r n ASN 121 N -0.59 -5.61 -0.90 2.55 3.02 -1.26 -2.01 115.26 110.47 2q3r n ASN 121 Ca 0.10 0.29 -0.12 0.00 -0.03 0.00 0.00 54.58 54.82 2q3r n ASN 121 Cb 0.43 -4.21 -0.05 0.00 -0.61 0.00 0.00 39.78 35.35 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 0.20 1.13 3.51 7.41 0.00 -0.47 -4.96 105.19 112.00 2q3r n GLY 122 Ca -0.12 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.95 -1.27 0.48 1.61 1.02 -0.85 -4.73 119.74 113.05 2q3r s LYS 123 Ca 0.00 0.32 -0.20 0.00 0.02 0.00 0.00 55.97 56.12 2q3r s LYS 123 Cb 0.00 -1.56 -0.09 0.00 -0.52 0.00 0.00 37.83 35.67 2q3r s LYS 123 CO 0.00 -3.83 1.00 0.00 -0.92 0.00 0.00 175.35 171.61 2q3r s ALA 124 N -2.68 2.94 0.91 5.17 0.00 -1.26 -4.29 121.76 122.56 2q3r s ALA 124 Ca 0.69 0.46 -0.11 0.00 0.00 0.00 0.00 51.96 52.99 2q3r s ALA 124 Cb -0.17 -3.20 0.14 0.00 0.00 0.00 0.00 23.12 19.90 2q3r s ALA 124 CO 0.59 -0.19 1.11 -2.14 0.00 0.00 0.00 175.76 175.13 2q3r s PRO 125 N -3.41 1.08 0.13 0.00 0.02 -1.26 -4.73 135.00 126.83 2q3r s PRO 125 Ca 0.64 1.29 0.08 0.00 0.02 0.00 0.00 61.00 63.02 2q3r s PRO 125 Cb -0.13 -1.75 -0.04 0.00 0.02 0.00 0.00 34.50 32.60 2q3r s PRO 125 CO 0.21 -2.50 -0.10 0.96 -0.33 0.00 0.00 177.00 175.23 2q3r s ILE 126 N -2.72 3.28 0.31 2.83 -4.36 -1.26 -1.00 121.20 118.28 2q3r s ILE 126 Ca 0.65 -1.41 -0.15 0.00 -0.26 0.00 0.00 60.65 59.48 2q3r s ILE 126 Cb -0.21 -2.57 0.02 0.00 1.25 0.00 0.00 42.46 40.95 2q3r s ILE 126 CO 0.58 0.03 0.65 -0.55 0.24 0.00 0.00 174.94 175.89 2q3r s SER 127 N -2.42 -0.01 0.36 4.36 0.15 -0.73 -2.20 113.70 113.22 2q3r s SER 127 Ca 0.22 -0.94 0.27 0.00 0.70 0.00 0.00 55.95 56.21 2q3r s SER 127 Cb -0.10 0.72 1.11 0.00 -1.71 0.00 0.00 66.02 66.04 2q3r s SER 127 CO 0.14 -1.38 1.81 0.00 1.20 0.00 0.00 173.24 175.01 2q3r n SER 129 N -2.55 -0.58 -1.11 0.00 7.64 -1.26 -4.29 113.62 111.48 2q3r n SER 129 Ca 0.02 -2.18 0.06 0.00 1.01 0.00 0.00 58.87 57.77 2q3r n SER 129 Cb 0.26 1.19 0.27 0.00 -1.01 0.00 0.00 64.21 64.92 2q3r n SER 129 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2q3r n ASP 130 N -2.07 3.96 -4.67 6.43 5.75 -1.26 -3.90 116.55 120.79 2q3r n ASP 130 Ca 0.03 -3.13 -0.43 0.00 -0.01 0.00 0.00 54.79 51.25 2q3r n ASP 130 Cb 0.34 -0.59 -0.02 0.00 -1.03 0.00 0.00 41.12 39.82 2q3r n ASP 130 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2q3r s LYS 131 N -2.90 4.28 0.44 0.11 1.02 -1.26 -4.69 119.74 116.74 2q3r s LYS 131 Ca 0.45 1.66 -0.25 0.00 0.02 0.00 0.00 55.97 57.86 2q3r s LYS 131 Cb 0.37 -3.68 -0.08 0.00 -0.52 0.00 0.00 37.83 33.92 2q3r s LYS 131 CO 0.09 -0.61 1.27 -1.25 -0.92 0.00 0.00 175.35 173.94 2q3r s PRO 132 N 2.99 3.79 -0.21 -1.68 0.04 -1.26 -4.67 135.00 134.01 2q3r s PRO 132 Ca 0.55 2.07 -0.12 0.00 0.04 0.00 0.00 61.00 63.54 2q3r s PRO 132 Cb -0.23 -2.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.67 2q3r s PRO 132 CO 0.17 -0.61 0.23 -1.17 0.04 0.00 0.00 177.00 175.67 2q3r s LEU 133 N -2.74 4.16 -1.26 -3.56 2.96 -1.26 -4.57 118.68 112.41 2q3r s LEU 133 Ca 0.61 0.29 -0.30 0.00 -0.22 0.00 0.00 54.13 54.51 2q3r s LEU 133 Cb -0.36 -2.24 0.04 0.00 0.50 0.00 0.00 46.19 44.12 2q3r s LEU 133 CO 0.45 0.06 0.60 0.23 -1.32 0.00 0.00 176.35 176.36 2q3r n MET 134 N 4.08 -0.40 -0.29 1.98 2.81 -1.26 -4.51 117.12 119.54 2q3r n MET 134 Ca -0.13 0.09 0.27 0.00 -1.81 0.00 0.00 57.70 56.12 2q3r n MET 134 Cb 0.52 -2.74 0.62 0.00 -0.71 0.00 0.00 33.22 30.91 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 -2.51 0.20 0.00 0.03 0.13 -1.94 0.17 132.00 128.07 2q3r h PRO 135 Ca -0.71 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 2q3r h PRO 135 Cb 1.40 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2q3r h PRO 135 CO 0.54 0.13 0.00 0.00 -0.23 0.00 0.00 178.00 178.44 2q3r n GLN 136 N -4.41 0.07 -3.82 0.86 0.00 -1.26 -4.64 117.38 104.18 2q3r n GLN 136 Ca 0.23 0.45 -0.36 0.00 0.00 0.00 0.00 57.00 57.32 2q3r n GLN 136 Cb 0.99 -1.67 -0.12 0.00 0.00 0.00 0.00 30.24 29.44 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 -3.18 4.50 -0.04 -0.39 1.01 0.58 -5.07 121.20 118.61 2q3r s ILE 137 Ca 0.02 -0.11 0.05 0.00 0.00 0.00 0.00 60.65 60.61 2q3r s ILE 137 Cb 0.06 -3.09 -0.02 0.00 0.01 0.00 0.00 42.46 39.41 2q3r s ILE 137 CO 0.19 0.36 -0.19 -0.13 0.00 0.00 0.00 174.94 175.17 2q3r s ARG 138 N 1.34 2.38 0.00 2.79 3.00 -1.26 -0.56 118.95 126.63 2q3r s ARG 138 Ca 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 55.73 54.99 2q3r s ARG 138 Cb -0.15 -2.25 0.00 0.00 0.00 0.00 0.00 34.95 32.56 2q3r s ARG 138 CO 0.04 0.58 0.00 0.43 0.00 0.00 0.00 175.30 176.35 2q3r n SER 139 N 2.41 -0.14 -2.79 0.23 7.64 -0.82 -4.68 113.62 115.47 2q3r n SER 139 Ca -0.17 -0.56 -0.06 0.00 1.01 0.00 0.00 58.87 59.09 2q3r n SER 139 Cb 0.52 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.77 2q3r n SER 139 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2q3r n ASN 140 N -1.88 -1.49 0.00 6.43 3.02 -1.26 -4.73 115.26 115.35 2q3r n ASN 140 Ca 0.00 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 2q3r n ASN 140 Cb 0.00 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 2q3r n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q3r n GLY 141 N 0.50 3.63 3.63 7.41 0.00 -1.26 -4.68 105.19 114.42 2q3r n GLY 141 Ca 0.03 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 2.28 -0.10 -0.61 1.01 -1.26 -4.79 121.20 117.73 2q3r s ILE 142 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.71 2q3r s ILE 142 Cb 0.00 -2.28 -0.13 0.00 0.01 0.00 0.00 42.46 40.06 2q3r s ILE 142 CO 0.00 -0.12 2.16 -0.67 0.00 0.00 0.00 174.94 176.31 2q3r n ASP 143 N -4.34 3.02 -4.75 3.58 2.03 -1.26 -4.76 116.55 110.07 2q3r n ASP 143 Ca 0.07 -2.06 -0.36 0.00 0.52 0.00 0.00 54.79 52.96 2q3r n ASP 143 Cb 0.54 -0.79 -0.07 0.00 -0.72 0.00 0.00 41.12 40.07 2q3r n ASP 143 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2q3r s GLU 144 N 2.11 4.16 0.54 -0.67 2.12 -1.26 -5.05 118.70 120.65 2q3r s GLU 144 Ca 0.36 0.07 -0.21 0.00 0.36 0.00 0.00 54.97 55.55 2q3r s GLU 144 Cb 0.16 -3.39 -0.06 0.00 0.26 0.00 0.00 34.13 31.10 2q3r s GLU 144 CO -0.00 0.32 1.16 0.00 -0.54 0.00 0.00 175.26 176.20 2q3r n ALA 145 N 3.31 0.85 -0.10 6.30 0.00 -1.26 -1.94 120.51 127.67 2q3r n ALA 145 Ca -0.13 0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.31 2q3r n ALA 145 Cb 0.52 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.72 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 1.12 0.48 -8.07 0.00 5.85 -1.10 -3.38 115.31 110.22 2q3r h LEU 146 Ca -0.49 -0.26 -0.72 0.00 0.84 0.00 0.00 57.88 57.25 2q3r h LEU 146 Cb 1.33 -0.13 -0.28 0.00 0.37 0.00 0.00 40.66 41.95 2q3r h LEU 146 CO 0.55 0.62 -0.44 -0.36 -0.34 0.00 0.00 178.44 178.47 2q3r s PHE 147 N -5.18 3.36 -0.01 1.25 0.40 -1.26 -4.42 117.98 112.12 2q3r s PHE 147 Ca -0.13 -1.62 -0.33 0.00 -0.60 0.00 0.00 56.93 54.24 2q3r s PHE 147 Cb 0.08 -3.14 -0.11 0.00 0.51 0.00 0.00 43.02 40.36 2q3r s PHE 147 CO 0.75 -0.89 1.85 2.41 0.70 0.00 0.00 175.22 180.04 2q3r n THR 148 N 4.92 0.51 -1.57 0.64 -1.04 -1.15 -4.52 114.28 112.07 2q3r n THR 148 Ca -0.09 -0.09 -0.51 0.00 -2.04 0.00 0.00 64.05 61.31 2q3r n THR 148 Cb 0.42 -1.93 -0.05 0.00 -1.82 0.00 0.00 70.33 66.95 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 6.25 0.99 -1.74 -2.82 -0.02 -1.26 -4.34 135.00 132.06 2q3r n PRO 149 Ca 0.21 0.35 -0.31 0.00 -2.02 0.00 0.00 63.50 61.74 2q3r n PRO 149 Cb 0.32 -1.90 0.04 0.00 -0.02 0.00 0.00 33.50 31.95 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 0.01 2.95 0.03 0.52 0.04 -1.26 -4.39 135.00 132.89 2q3r s PRO 150 Ca 0.80 0.70 -0.19 0.00 0.04 0.00 0.00 61.00 62.34 2q3r s PRO 150 Cb -0.95 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 31.52 2q3r s PRO 150 CO 0.51 -1.02 0.56 0.50 0.04 0.00 0.00 177.00 177.58 2q3r s ARG 151 N -5.19 4.22 -0.33 4.56 3.52 -0.17 -4.46 118.95 121.09 2q3r s ARG 151 Ca 0.58 0.68 -0.29 0.00 -0.13 0.00 0.00 55.73 56.57 2q3r s ARG 151 Cb -0.12 -3.29 0.02 0.00 -1.56 0.00 0.00 34.95 30.00 2q3r s ARG 151 CO 0.54 0.52 1.07 0.50 -0.81 0.00 0.00 175.30 177.12 2q3r s ARG 152 N -0.67 4.03 0.65 5.12 3.00 -1.25 -1.77 118.95 128.06 2q3r s ARG 152 Ca 0.29 1.01 -0.17 0.00 -1.00 0.00 0.00 55.73 55.86 2q3r s ARG 152 Cb -0.18 -3.75 -0.00 0.00 0.00 0.00 0.00 34.95 31.01 2q3r s ARG 152 CO 0.17 -0.94 1.23 -0.51 0.00 0.00 0.00 175.30 175.25 2q3r s LEU 153 N 3.70 3.52 0.87 -0.88 1.43 -0.82 -4.97 118.68 121.53 2q3r s LEU 153 Ca 0.45 2.43 -0.12 0.00 -1.03 0.00 0.00 54.13 55.86 2q3r s LEU 153 Cb -0.12 -4.60 0.11 0.00 0.03 0.00 0.00 46.19 41.62 2q3r s LEU 153 CO 0.17 -1.92 1.13 -0.83 0.23 0.00 0.00 176.35 175.13 2q3r s GLY 154 N -1.72 1.59 0.00 -3.19 0.00 -1.26 -4.93 107.32 97.82 2q3r s GLY 154 Ca 0.77 -0.44 0.29 0.00 0.00 0.00 0.00 44.72 45.35 2q3r s GLY 154 CO 0.39 0.08 1.97 4.51 0.00 0.00 0.00 173.10 180.05 2q3r n ILE 155 N -3.64 0.00 -0.23 0.90 3.06 -1.26 -3.28 119.36 114.91 2q3r n ILE 155 Ca 0.07 -0.00 0.02 0.00 -2.50 0.00 0.00 62.75 60.34 2q3r n ILE 155 Cb 0.58 -0.44 0.04 0.00 0.54 0.00 0.00 39.64 40.36 2q3r n ILE 155 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2q3r n GLU 156 N -1.36 2.66 0.03 9.51 -0.58 -1.26 -4.56 120.64 125.08 2q3r n GLU 156 Ca 0.11 -1.76 0.12 0.00 -0.42 0.00 0.00 57.16 55.21 2q3r n GLU 156 Cb 0.29 -1.13 0.24 0.00 -0.57 0.00 0.00 31.44 30.27 2q3r n GLU 156 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2q3r n GLU 157 N -0.63 0.15 -0.14 3.49 1.02 -1.20 -4.10 120.64 119.23 2q3r n GLU 157 Ca 0.04 0.05 -0.04 0.00 -0.02 0.00 0.00 57.16 57.19 2q3r n GLU 157 Cb 0.35 -1.60 0.05 0.00 -0.02 0.00 0.00 31.44 30.21 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 0.82 -0.98 -3.67 2.04 -1.80 -2.28 117.51 111.64 2q3r h ILE 158 Ca 0.00 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.80 2q3r h ILE 158 Cb 0.63 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 2q3r h ILE 158 CO 0.00 0.05 0.64 -0.65 0.00 0.00 0.00 178.15 178.19 2q3r h PRO 159 N 0.29 1.19 0.00 2.37 0.11 -1.93 0.48 132.00 134.50 2q3r h PRO 159 Ca 0.21 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 2q3r h PRO 159 Cb 0.23 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 2q3r h PRO 159 CO -0.24 0.79 -0.05 0.78 -0.21 0.00 0.00 178.00 179.07 2q3r h GLY 160 N 1.22 0.00 0.31 -0.55 0.00 -1.65 0.05 103.07 102.45 2q3r h GLY 160 Ca 0.40 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 47.35 2q3r h GLY 160 CO -0.13 0.00 -2.22 1.39 0.00 0.00 0.00 176.54 175.58 2q3r n ILE 161 N -3.16 1.64 0.19 2.60 5.41 -0.91 -3.94 119.36 121.19 2q3r n ILE 161 Ca 0.01 -0.60 0.11 0.00 1.00 0.00 0.00 62.75 63.27 2q3r n ILE 161 Cb 0.34 -1.60 0.66 0.00 -0.71 0.00 0.00 39.64 38.33 2q3r n ILE 161 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2q3r h VAL 162 N -0.00 0.92 -0.73 1.39 2.07 -0.00 -1.54 116.25 118.35 2q3r h VAL 162 Ca -0.50 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 2q3r h VAL 162 Cb 1.95 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 2q3r h VAL 162 CO -0.01 0.00 0.43 -1.13 0.02 0.00 0.00 177.57 176.88 2q3r h ASN 163 N 0.00 0.89 0.55 0.57 -0.00 -1.10 0.12 115.58 116.62 2q3r h ASN 163 Ca 0.07 -0.08 -0.06 0.00 -0.00 0.00 0.00 56.30 56.23 2q3r h ASN 163 Cb 0.28 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 38.36 2q3r h ASN 163 CO -0.00 0.71 -0.31 0.44 -0.00 0.00 0.00 177.43 178.27 2q3r h ASP 164 N 1.00 0.00 0.05 1.15 3.32 -1.43 -1.01 116.42 119.51 2q3r h ASP 164 Ca 0.26 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 2q3r h ASP 164 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 2q3r h ASP 164 CO -0.05 0.31 -0.03 -0.26 -1.72 0.00 0.00 179.24 177.49 2q3r h PHE 165 N 0.00 -0.07 -0.79 4.55 -1.00 -1.21 -0.14 116.94 118.29 2q3r h PHE 165 Ca -0.00 -0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.85 2q3r h PHE 165 Cb 0.67 0.02 -0.05 0.00 3.61 0.00 0.00 35.95 40.20 2q3r h PHE 165 CO 0.00 0.53 0.52 -0.09 -1.61 0.00 0.00 178.31 177.66 2q3r h ARG 166 N -0.90 0.81 0.36 1.51 2.43 -0.76 -0.90 114.38 116.93 2q3r h ARG 166 Ca -0.01 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2q3r h ARG 166 Cb 0.63 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2q3r h ARG 166 CO 0.01 0.54 -0.17 1.25 -1.51 0.00 0.00 179.97 180.09 2q3r h LEU 167 N 0.84 -0.41 -1.38 3.80 5.85 -1.22 -2.25 115.31 120.54 2q3r h LEU 167 Ca 0.35 -0.10 0.26 0.00 0.84 0.00 0.00 57.88 59.22 2q3r h LEU 167 Cb 0.27 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.32 2q3r h LEU 167 CO -0.12 -0.13 0.66 0.00 -0.34 0.00 0.00 178.44 178.51 2q3r h ALA 168 N -0.13 2.22 -0.16 1.25 0.00 -0.30 0.57 119.26 122.71 2q3r h ALA 168 Ca -0.05 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2q3r h ALA 168 Cb 0.48 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2q3r h ALA 168 CO 0.08 -0.61 0.05 0.00 0.00 0.00 0.00 179.25 178.77 2q3r h ALA 169 N 1.62 0.21 -0.74 0.00 0.00 -0.84 0.26 119.26 119.76 2q3r h ALA 169 Ca 0.58 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.42 2q3r h ALA 169 Cb 1.46 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 2q3r h ALA 169 CO -0.28 -0.18 0.45 -0.09 0.00 0.00 0.00 179.25 179.15 2q3r h ARG 170 N 0.08 0.80 -0.20 0.00 9.65 0.51 -1.43 114.38 123.79 2q3r h ARG 170 Ca 0.05 -0.05 -0.08 0.00 -1.10 0.00 0.00 59.98 58.80 2q3r h ARG 170 Cb 0.22 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 2q3r h ARG 170 CO -0.00 0.53 -0.23 -0.91 2.80 0.00 0.00 179.97 182.16 2q3r h ASN 171 N 0.83 0.35 -0.35 -3.80 4.21 -0.01 -1.84 115.58 114.96 2q3r h ASN 171 Ca 0.32 -0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.73 2q3r h ASN 171 Cb 0.14 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.23 2q3r h ASN 171 CO -0.16 0.59 0.23 0.00 -1.29 0.00 0.00 177.43 176.80 2q3r h ALA 172 N 1.44 0.45 -0.82 -0.83 0.00 0.52 -0.87 119.26 119.15 2q3r h ALA 172 Ca 0.05 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2q3r h ALA 172 Cb 0.58 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2q3r h ALA 172 CO 0.04 -0.08 0.53 0.52 0.00 0.00 0.00 179.25 180.26 2q3r h MET 173 N 0.47 1.01 -0.61 0.00 2.86 -0.92 -1.69 114.93 116.05 2q3r h MET 173 Ca 0.13 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2q3r h MET 173 Cb -0.04 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.37 2q3r h MET 173 CO -0.03 0.67 0.36 1.49 1.06 0.00 0.00 176.91 180.46 2q3r h GLU 174 N 1.04 0.82 0.00 1.72 4.81 -0.46 0.18 114.58 122.69 2q3r h GLU 174 Ca 0.33 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2q3r h GLU 174 Cb -0.01 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.20 2q3r h GLU 174 CO -0.11 0.58 0.00 0.00 -0.73 0.00 0.00 179.01 178.75 2q3r n ALA 175 N -2.44 2.09 -0.14 2.92 0.00 -0.43 -4.91 120.51 117.59 2q3r n ALA 175 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2q3r n ALA 175 Cb 0.07 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 0.95 0.93 3.73 0.00 0.00 0.64 -4.50 105.19 106.94 2q3r n GLY 176 Ca 0.05 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 2.08 -0.35 1.61 0.40 -0.72 -4.91 117.98 114.10 2q3r s PHE 177 Ca 0.00 1.57 0.25 0.00 -0.60 0.00 0.00 56.93 58.15 2q3r s PHE 177 Cb 0.00 -3.53 0.58 0.00 0.51 0.00 0.00 43.02 40.58 2q3r s PHE 177 CO 0.00 -2.66 1.69 -0.44 0.70 0.00 0.00 175.22 174.52 2q3r h ASP 178 N 0.01 0.00 0.00 1.36 3.32 -1.88 -3.42 116.42 115.81 2q3r h ASP 178 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2q3r h ASP 178 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2q3r h ASP 178 CO 0.51 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.64 2q3r n GLY 179 N 0.88 -1.24 3.03 2.75 0.00 -1.26 -4.79 105.19 104.56 2q3r n GLY 179 Ca 0.03 -0.84 -0.15 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.94 0.54 -0.23 1.61 1.01 -0.64 -1.01 120.40 118.74 2q3r s VAL 180 Ca 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 2q3r s VAL 180 Cb 0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 36.38 35.84 2q3r s VAL 180 CO 0.00 -0.13 -0.03 -0.70 0.00 0.00 0.00 175.10 174.24 2q3r s GLU 181 N -0.90 3.27 -0.30 2.72 2.12 -0.57 -1.28 118.70 123.76 2q3r s GLU 181 Ca -0.04 -0.70 -0.29 0.00 0.36 0.00 0.00 54.97 54.31 2q3r s GLU 181 Cb -0.06 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.29 2q3r s GLU 181 CO 0.00 -0.25 1.27 0.42 -0.54 0.00 0.00 175.26 176.16 2q3r s ILE 182 N 1.46 4.19 -1.16 -3.70 1.01 0.10 -2.66 121.20 120.44 2q3r s ILE 182 Ca 0.05 1.35 -0.21 0.00 0.00 0.00 0.00 60.65 61.83 2q3r s ILE 182 Cb -0.15 -4.18 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 2q3r s ILE 182 CO -0.03 -0.46 1.80 -2.28 0.00 0.00 0.00 174.94 173.97 2q3r s HIS 183 N 4.25 2.30 -0.43 3.97 2.46 -1.11 -1.86 115.29 124.87 2q3r s HIS 183 Ca 0.55 -0.41 0.05 0.00 0.47 0.00 0.00 55.06 55.71 2q3r s HIS 183 Cb -0.16 -4.37 0.65 0.00 -0.13 0.00 0.00 32.58 28.57 2q3r s HIS 183 CO 0.22 -1.60 1.87 0.41 -2.47 0.00 0.00 174.74 173.17 2q3r n GLY 184 N 6.00 4.52 0.00 1.59 0.00 -0.76 -4.56 105.19 111.98 2q3r n GLY 184 Ca 0.44 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.12 0.00 -4.17 4.61 0.00 -1.14 -3.97 120.51 114.71 2q3r n ALA 185 Ca 0.57 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.69 2q3r n ALA 185 Cb 1.60 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 21.01 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 -1.25 -1.20 -0.24 0.00 3.02 -1.26 -2.27 115.26 112.06 2q3r n ASN 186 Ca 0.00 -1.08 -0.03 0.00 -0.03 0.00 0.00 54.58 53.43 2q3r n ASN 186 Cb 0.00 -2.53 -0.01 0.00 -0.61 0.00 0.00 39.78 36.62 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 -1.83 0.40 3.95 7.41 0.00 -1.24 -4.76 105.19 109.13 2q3r n GLY 187 Ca -0.15 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.49 2.22 0.20 1.61 2.02 -0.96 -4.61 117.35 116.35 2q3r s TYR 188 Ca 0.00 0.16 -0.00 0.00 -0.37 0.00 0.00 57.07 56.85 2q3r s TYR 188 Cb 0.00 -3.30 0.45 0.00 -0.40 0.00 0.00 41.96 38.71 2q3r s TYR 188 CO 0.00 -1.72 1.02 -0.11 -1.57 0.00 0.00 175.55 173.17 2q3r n LEU 189 N -3.03 -0.12 -0.03 -1.29 7.94 -0.98 -0.67 117.00 118.82 2q3r n LEU 189 Ca 0.12 1.12 -0.13 0.00 -1.11 0.00 0.00 56.01 56.00 2q3r n LEU 189 Cb 0.60 -0.39 -0.11 0.00 0.53 0.00 0.00 43.42 44.05 2q3r n LEU 189 CO 0.47 -1.11 0.54 0.40 -1.11 0.00 0.00 177.39 176.57 2q3r h ILE 190 N 0.00 1.53 -0.98 1.96 2.04 -1.81 -3.23 117.51 117.03 2q3r h ILE 190 Ca 0.37 -1.60 0.16 0.00 1.00 0.00 0.00 64.86 64.80 2q3r h ILE 190 Cb 0.73 2.60 -0.09 0.00 -0.74 0.00 0.00 36.82 39.32 2q3r h ILE 190 CO -0.63 0.42 0.61 -0.78 0.00 0.00 0.00 178.15 177.77 2q3r h ASP 191 N -0.64 0.78 -0.92 1.72 3.58 -1.02 -0.35 116.42 119.57 2q3r h ASP 191 Ca -0.00 0.07 0.15 0.00 0.42 0.00 0.00 57.03 57.67 2q3r h ASP 191 Cb 0.70 -0.08 -0.08 0.00 1.72 0.00 0.00 39.33 41.59 2q3r h ASP 191 CO 0.01 0.34 0.59 1.56 -2.88 0.00 0.00 179.24 178.86 2q3r h GLN 192 N 0.79 0.70 -0.43 0.28 4.20 -1.09 -0.97 115.11 118.59 2q3r h GLN 192 Ca 0.52 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 59.10 2q3r h GLN 192 Cb 0.77 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2q3r h GLN 192 CO -0.30 0.46 -0.10 0.74 -0.67 0.00 0.00 178.83 178.96 2q3r h PHE 193 N 0.72 0.93 -0.26 2.96 -1.00 -1.11 -3.27 116.94 115.91 2q3r h PHE 193 Ca 0.47 -0.20 -0.06 0.00 2.81 0.00 0.00 57.97 60.99 2q3r h PHE 193 Cb 0.75 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 40.07 2q3r h PHE 193 CO -0.00 0.94 -0.09 0.52 -1.61 0.00 0.00 178.31 178.07 2q3r h MET 194 N 0.65 0.52 -6.28 1.51 2.86 -1.20 -3.44 114.93 109.55 2q3r h MET 194 Ca 0.11 -0.21 -0.55 0.00 -2.06 0.00 0.00 59.70 56.99 2q3r h MET 194 Cb 0.64 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 2q3r h MET 194 CO 0.04 0.75 1.05 0.15 1.06 0.00 0.00 176.91 179.96 2q3r s LYS 195 N -4.70 4.19 0.00 1.72 -0.14 -0.46 -4.78 119.74 115.57 2q3r s LYS 195 Ca -0.13 2.16 0.00 0.00 -1.36 0.00 0.00 55.97 56.63 2q3r s LYS 195 Cb 0.08 -3.90 0.00 0.00 -1.68 0.00 0.00 37.83 32.33 2q3r s LYS 195 CO 0.77 -0.80 0.47 -0.40 -0.76 0.00 0.00 175.35 174.63 2q3r n ASP 196 N 6.80 0.50 -0.02 2.83 5.75 -1.26 -2.19 116.55 128.95 2q3r n ASP 196 Ca 0.17 -1.44 0.02 0.00 -0.01 0.00 0.00 54.79 53.53 2q3r n ASP 196 Cb 0.43 -0.25 -0.02 0.00 -1.03 0.00 0.00 41.12 40.25 2q3r n ASP 196 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2q3r n THR 197 N -0.06 0.00 -0.02 2.12 -2.24 -1.26 -4.69 114.28 108.13 2q3r n THR 197 Ca 0.00 -0.40 -0.02 0.00 -2.27 0.00 0.00 64.05 61.36 2q3r n THR 197 Cb 0.12 1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 69.32 2q3r n THR 197 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2q3r n VAL 198 N -0.96 0.31 -3.34 2.28 0.31 -0.93 -4.92 118.33 111.08 2q3r n VAL 198 Ca 0.01 -0.21 -0.46 0.00 -0.01 0.00 0.00 64.34 63.67 2q3r n VAL 198 Cb 0.08 -0.74 -0.04 0.00 -0.91 0.00 0.00 33.84 32.22 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 -3.53 6.35 -0.54 4.52 2.47 -1.00 -4.42 114.94 118.80 2q3r s ASN 199 Ca -0.02 -2.13 0.01 0.00 0.42 0.00 0.00 52.86 51.14 2q3r s ASN 199 Cb 0.02 -2.19 0.48 0.00 -1.45 0.00 0.00 41.25 38.10 2q3r s ASN 199 CO 0.21 -0.74 1.79 -0.90 -3.72 0.00 0.00 177.10 173.74 2q3r n ASP 200 N 4.76 6.37 -4.79 -4.21 5.75 -1.26 -4.73 116.55 118.44 2q3r n ASP 200 Ca -0.04 -3.77 -0.35 0.00 -0.01 0.00 0.00 54.79 50.62 2q3r n ASP 200 Cb 0.42 -0.80 -0.04 0.00 -1.03 0.00 0.00 41.12 39.67 2q3r n ASP 200 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2q3r s ARG 201 N -3.69 4.10 -0.96 0.11 0.52 -1.26 -4.99 118.95 112.78 2q3r s ARG 201 Ca 0.60 1.40 -0.03 0.00 -0.52 0.00 0.00 55.73 57.18 2q3r s ARG 201 Cb 0.48 -2.39 0.26 0.00 0.52 0.00 0.00 34.95 33.82 2q3r s ARG 201 CO 0.01 -0.18 1.05 0.25 0.02 0.00 0.00 175.30 176.45 2q3r n THR 202 N -0.35 3.91 -3.73 0.02 -2.24 -1.26 -3.94 114.28 106.69 2q3r n THR 202 Ca 0.06 -5.42 -0.02 0.00 -2.27 0.00 0.00 64.05 56.41 2q3r n THR 202 Cb 0.51 -2.30 -0.01 0.00 -2.10 0.00 0.00 70.33 66.43 2q3r n THR 202 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2q3r s ASP 203 N -0.62 -0.12 0.00 3.42 3.84 -1.26 -5.02 116.67 116.91 2q3r s ASP 203 Ca 0.31 -0.35 0.00 0.00 -0.00 0.00 0.00 52.55 52.51 2q3r s ASP 203 Cb -0.01 0.39 0.00 0.00 -1.38 0.00 0.00 42.92 41.92 2q3r s ASP 203 CO -0.04 -0.73 0.23 -1.84 -0.00 0.00 0.00 175.17 172.80 2q3r n GLU 204 N -0.51 0.00 -0.55 2.11 0.28 -1.26 -1.54 120.64 119.18 2q3r n GLU 204 Ca -0.06 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.02 2q3r n GLU 204 Cb 0.61 -1.30 0.29 0.00 1.43 0.00 0.00 31.44 32.48 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 -0.69 1.19 -1.92 -1.84 4.01 -1.26 -4.53 117.16 112.12 2q3r n TYR 205 Ca 0.00 -0.85 0.00 0.00 -0.16 0.00 0.00 57.90 56.89 2q3r n TYR 205 Cb 0.00 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 38.67 2q3r n TYR 205 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2q3r n GLY 206 N -0.27 1.61 4.73 2.72 0.00 -0.59 -3.60 105.19 109.79 2q3r n GLY 206 Ca 0.23 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2q3r n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q3r n GLY 207 N 0.00 0.61 3.38 -0.02 0.00 -1.25 -4.40 105.19 103.51 2q3r n GLY 207 Ca 0.00 0.00 -0.10 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 -1.43 -0.03 0.00 1.61 1.04 -1.26 -5.05 113.70 108.58 2q3r s SER 208 Ca 0.00 -0.77 -0.25 0.00 0.48 0.00 0.00 55.95 55.41 2q3r s SER 208 Cb 0.00 0.47 -0.17 0.00 0.10 0.00 0.00 66.02 66.42 2q3r s SER 208 CO 0.00 -0.93 1.26 0.25 0.98 0.00 0.00 173.24 174.80 2q3r h LEU 209 N 2.46 -0.22 -2.82 2.42 5.85 -1.98 -1.62 115.31 119.41 2q3r h LEU 209 Ca -0.31 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.16 2q3r h LEU 209 Cb 1.24 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 2q3r h LEU 209 CO 0.46 0.16 -0.00 1.56 -0.34 0.00 0.00 178.44 180.28 2q3r h GLN 210 N -0.63 0.00 0.20 1.25 4.20 -1.97 -2.28 115.11 115.88 2q3r h GLN 210 Ca -0.03 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.34 2q3r h GLN 210 Cb 0.46 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.25 2q3r h GLN 210 CO 0.04 0.00 -1.70 -0.91 -0.67 0.00 0.00 178.83 175.60 2q3r h ASN 211 N 0.00 0.65 0.42 1.46 2.35 -1.76 -3.32 115.58 115.39 2q3r h ASN 211 Ca -0.00 -0.94 0.00 0.00 -0.55 0.00 0.00 56.30 54.81 2q3r h ASN 211 Cb 0.01 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.17 2q3r h ASN 211 CO 0.00 1.77 0.00 0.03 -1.65 0.00 0.00 177.43 177.58 2q3r h ARG 212 N 0.09 0.00 -0.57 0.81 3.08 -0.74 -2.57 114.38 114.49 2q3r h ARG 212 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 2q3r h ARG 212 Cb 2.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.14 2q3r h ARG 212 CO 0.19 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.09 2q3r h LYS 214 N 3.55 -0.60 -0.49 0.00 1.57 -1.57 -3.20 116.57 115.84 2q3r h LYS 214 Ca 0.00 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2q3r h LYS 214 Cb 1.32 0.14 -0.06 0.00 0.08 0.00 0.00 32.23 33.71 2q3r h LYS 214 CO 0.18 -0.35 -0.29 0.34 -0.57 0.00 0.00 179.45 178.77 2q3r n PHE 215 N -5.20 -0.21 -0.25 -1.35 7.35 -1.26 -0.16 117.46 116.37 2q3r n PHE 215 Ca -0.09 0.61 -0.01 0.00 -0.76 0.00 0.00 57.45 57.21 2q3r n PHE 215 Cb 0.27 -0.50 0.11 0.00 0.35 0.00 0.00 39.48 39.72 2q3r n PHE 215 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 2q3r h PRO 216 N 0.00 0.71 -0.43 -7.13 0.13 -1.88 -0.24 132.00 123.15 2q3r h PRO 216 Ca 0.08 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2q3r h PRO 216 Cb 0.20 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.15 2q3r h PRO 216 CO -0.46 0.47 0.27 -0.07 -0.23 0.00 0.00 178.00 177.98 2q3r h LEU 217 N 0.73 0.51 -2.45 1.56 3.38 -0.76 0.55 115.31 118.83 2q3r h LEU 217 Ca 0.32 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 2q3r h LEU 217 Cb 0.22 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2q3r h LEU 217 CO -0.19 0.40 -0.03 -0.33 0.09 0.00 0.00 178.44 178.38 2q3r h GLU 218 N 0.57 0.00 0.22 1.13 5.08 0.12 0.18 114.58 121.89 2q3r h GLU 218 Ca 0.16 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.17 2q3r h GLU 218 Cb -0.03 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.25 2q3r h GLU 218 CO -0.03 0.03 -1.59 0.82 -1.00 0.00 0.00 179.01 177.23 2q3r h ILE 219 N 0.00 1.14 0.00 3.13 2.04 0.84 -2.30 117.51 122.36 2q3r h ILE 219 Ca -0.00 -2.64 0.00 0.00 1.00 0.00 0.00 64.86 63.22 2q3r h ILE 219 Cb 0.14 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 2q3r h ILE 219 CO 0.00 0.83 0.00 0.58 0.00 0.00 0.00 178.15 179.57 2q3r h VAL 220 N 0.13 0.00 0.00 1.67 2.07 0.15 -2.22 116.25 118.05 2q3r h VAL 220 Ca -0.29 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 2q3r h VAL 220 Cb 2.14 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 2q3r h VAL 220 CO 0.23 0.00 -0.42 -0.78 0.02 0.00 0.00 177.57 176.62 2q3r h ASP 221 N 0.00 0.00 -0.11 0.57 3.58 -0.58 -3.31 116.42 116.57 2q3r h ASP 221 Ca 0.00 -0.75 -0.01 0.00 0.42 0.00 0.00 57.03 56.69 2q3r h ASP 221 Cb 0.22 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 2q3r h ASP 221 CO 0.00 1.12 0.02 0.00 -2.88 0.00 0.00 179.24 177.50 2q3r h ALA 222 N -0.25 0.14 -0.43 -0.78 0.00 -1.21 -2.94 119.26 113.80 2q3r h ALA 222 Ca -0.11 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.67 2q3r h ALA 222 Cb 1.02 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2q3r h ALA 222 CO -0.07 -0.22 0.27 0.28 0.00 0.00 0.00 179.25 179.51 2q3r h VAL 223 N -0.04 1.07 -0.18 0.00 2.07 -1.62 -1.55 116.25 115.99 2q3r h VAL 223 Ca 0.03 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.41 2q3r h VAL 223 Cb 0.27 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2q3r h VAL 223 CO 0.00 0.10 0.13 0.00 0.02 0.00 0.00 177.57 177.82 2q3r h ALA 224 N 1.18 2.12 0.10 1.67 0.00 -1.64 -0.91 119.26 121.77 2q3r h ALA 224 Ca 0.17 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.81 2q3r h ALA 224 Cb -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2q3r h ALA 224 CO -0.06 -0.16 -1.16 0.87 0.00 0.00 0.00 179.25 178.73 2q3r h LYS 225 N 0.04 0.30 -0.18 0.00 1.57 -1.18 0.83 116.57 117.95 2q3r h LYS 225 Ca 0.08 -0.46 -0.17 0.00 -1.87 0.00 0.00 60.65 58.24 2q3r h LYS 225 Cb 0.28 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 2q3r h LYS 225 CO -0.00 1.19 -0.59 1.49 -0.57 0.00 0.00 179.45 180.96 2q3r h GLU 226 N 0.11 0.58 0.00 3.15 4.57 -0.33 -3.39 114.58 119.27 2q3r h GLU 226 Ca -0.12 -0.39 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 2q3r h GLU 226 Cb 1.87 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.51 2q3r h GLU 226 CO 0.19 1.00 -0.19 0.44 -1.18 0.00 0.00 179.01 179.28 2q3r n ILE 227 N -3.94 0.00 0.00 2.32 -5.35 -0.44 -4.84 119.36 107.10 2q3r n ILE 227 Ca -0.04 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 2q3r n ILE 227 Cb 0.63 0.85 0.00 0.00 -1.74 0.00 0.00 39.64 39.38 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 1.06 2.22 0.29 3.28 0.00 0.28 -4.78 105.19 107.53 2q3r n GLY 228 Ca 0.00 -1.18 0.08 0.00 0.00 0.00 0.00 46.02 44.92 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 0.32 0.00 1.61 0.13 -1.77 -0.71 132.00 131.58 2q3r h PRO 229 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2q3r h PRO 229 Cb 0.00 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.06 2q3r h PRO 229 CO 0.00 0.21 0.05 -0.40 -0.23 0.00 0.00 178.00 177.63 2q3r n ASP 230 N -5.11 0.00 -0.48 1.44 3.85 -1.26 0.29 116.55 115.27 2q3r n ASP 230 Ca 0.17 0.24 0.07 0.00 -0.71 0.00 0.00 54.79 54.56 2q3r n ASP 230 Cb 0.52 -0.24 0.18 0.00 -1.35 0.00 0.00 41.12 40.23 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 -1.21 1.41 -5.08 0.11 1.74 -0.27 -4.69 116.66 108.67 2q3r n ARG 231 Ca 0.00 -3.01 -0.30 0.00 -0.77 0.00 0.00 57.85 53.77 2q3r n ARG 231 Cb 0.05 -1.51 -0.17 0.00 -1.02 0.00 0.00 32.46 29.82 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 -2.96 1.82 0.09 1.55 1.01 0.14 -1.62 120.40 120.44 2q3r s VAL 232 Ca 0.36 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.47 2q3r s VAL 232 Cb 0.34 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 2q3r s VAL 232 CO -0.04 0.51 -0.11 -0.83 0.00 0.00 0.00 175.10 174.63 2q3r s GLY 233 N 0.13 0.86 -0.02 4.51 0.00 -0.40 -1.76 107.32 110.64 2q3r s GLY 233 Ca -0.10 -1.16 0.02 0.00 0.00 0.00 0.00 44.72 43.48 2q3r s GLY 233 CO 0.05 -1.22 -0.07 -1.50 0.00 0.00 0.00 173.10 170.36 2q3r s ILE 234 N -2.21 0.63 -0.12 0.90 2.07 -1.16 0.03 121.20 121.34 2q3r s ILE 234 Ca 0.04 -0.28 -0.03 0.00 -1.41 0.00 0.00 60.65 58.97 2q3r s ILE 234 Cb -0.04 -0.57 -0.03 0.00 0.13 0.00 0.00 42.46 41.94 2q3r s ILE 234 CO 0.01 0.20 0.01 -0.60 -1.91 0.00 0.00 174.94 172.65 2q3r s ARG 235 N 0.21 3.35 0.09 3.50 3.52 -0.77 -0.86 118.95 127.98 2q3r s ARG 235 Ca -0.03 -0.41 0.03 0.00 -0.13 0.00 0.00 55.73 55.19 2q3r s ARG 235 Cb -0.08 -2.91 -0.04 0.00 -1.56 0.00 0.00 34.95 30.37 2q3r s ARG 235 CO 0.00 0.51 -0.08 -0.51 -0.81 0.00 0.00 175.30 174.41 2q3r s LEU 236 N -0.35 2.41 -0.41 -0.88 1.43 0.01 -1.83 118.68 119.05 2q3r s LEU 236 Ca 0.07 -0.81 0.08 0.00 -1.03 0.00 0.00 54.13 52.44 2q3r s LEU 236 Cb -0.12 -0.20 0.28 0.00 0.03 0.00 0.00 46.19 46.18 2q3r s LEU 236 CO 0.02 -0.31 0.69 -1.54 0.23 0.00 0.00 176.35 175.44 2q3r n SER 237 N 0.57 -0.42 0.31 2.29 3.41 -1.26 -2.73 113.62 115.78 2q3r n SER 237 Ca -0.16 -2.96 0.18 0.00 -0.26 0.00 0.00 58.87 55.66 2q3r n SER 237 Cb 0.58 0.02 0.98 0.00 -0.26 0.00 0.00 64.21 65.53 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 3.67 0.00 -0.17 4.33 0.13 -1.91 -2.36 132.00 135.69 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 0.03 0.00 1.19 -0.23 0.00 0.00 178.00 179.40 2q3r n PHE 239 N -3.41 0.19 -3.03 1.56 3.01 -1.26 -4.45 117.46 110.08 2q3r n PHE 239 Ca -0.02 -0.10 -0.18 0.00 1.01 0.00 0.00 57.45 58.16 2q3r n PHE 239 Cb 0.13 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.61 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 -1.81 4.33 0.00 4.37 0.00 -0.89 -4.90 121.76 122.86 2q3r s ALA 240 Ca 0.33 -1.54 0.02 0.00 0.00 0.00 0.00 51.96 50.76 2q3r s ALA 240 Cb 0.21 -1.74 0.03 0.00 0.00 0.00 0.00 23.12 21.62 2q3r s ALA 240 CO 0.31 -0.32 1.01 -0.40 0.00 0.00 0.00 175.76 176.36 2q3r n ASP 241 N -1.91 0.06 -4.63 0.00 5.75 -1.26 -3.93 116.55 110.64 2q3r n ASP 241 Ca 0.06 -1.99 -0.48 0.00 -0.01 0.00 0.00 54.79 52.37 2q3r n ASP 241 Cb 0.59 -0.20 -0.04 0.00 -1.03 0.00 0.00 41.12 40.43 2q3r n ASP 241 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2q3r n TYR 242 N 0.03 1.85 -3.36 2.11 9.36 -1.26 -2.00 117.16 123.89 2q3r n TYR 242 Ca 0.00 0.49 -0.16 0.00 3.32 0.00 0.00 57.90 61.55 2q3r n TYR 242 Cb 0.73 -2.42 0.08 0.00 -0.63 0.00 0.00 39.34 37.10 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 2.56 -4.70 -4.09 2.98 2.81 -1.26 -3.31 117.12 112.11 2q3r n MET 243 Ca 0.16 0.85 -0.37 0.00 -1.81 0.00 0.00 57.70 56.53 2q3r n MET 243 Cb 0.26 -5.83 -0.02 0.00 -0.71 0.00 0.00 33.22 26.92 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 -3.75 -0.97 -0.19 0.03 1.02 -0.85 -4.85 120.64 111.08 2q3r n GLU 244 Ca -0.20 0.16 0.09 0.00 -0.02 0.00 0.00 57.16 57.20 2q3r n GLU 244 Cb 0.65 -3.30 0.14 0.00 -0.02 0.00 0.00 31.44 28.91 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 -2.55 2.10 -4.77 1.62 3.41 -0.97 -4.80 113.62 107.67 2q3r n SER 245 Ca -0.20 -3.14 -0.35 0.00 -0.26 0.00 0.00 58.87 54.91 2q3r n SER 245 Cb 0.62 -0.43 0.01 0.00 -0.26 0.00 0.00 64.21 64.16 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 -2.82 2.67 -0.06 5.00 0.00 -1.25 -4.55 107.32 106.30 2q3r s GLY 246 Ca 0.31 0.89 0.04 0.00 0.00 0.00 0.00 44.72 45.96 2q3r s GLY 246 CO 0.01 1.26 -0.19 -0.35 0.00 0.00 0.00 173.10 173.83 2q3r s ASP 247 N -1.71 3.62 0.00 1.64 -1.08 -1.26 -3.99 116.67 113.88 2q3r s ASP 247 Ca 0.74 -0.35 0.02 0.00 -0.52 0.00 0.00 52.55 52.44 2q3r s ASP 247 Cb -0.26 -0.94 0.10 0.00 -1.46 0.00 0.00 42.92 40.36 2q3r s ASP 247 CO 0.29 0.28 1.03 0.35 0.52 0.00 0.00 175.17 177.64 2q3r n THR 248 N 2.76 0.00 -2.83 1.71 -2.24 -1.26 -3.79 114.28 108.63 2q3r n THR 248 Ca -0.17 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.50 2q3r n THR 248 Cb 0.52 -0.04 0.05 0.00 -2.10 0.00 0.00 70.33 68.76 2q3r n THR 248 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2q3r n ASN 249 N -0.53 -1.95 0.13 3.42 3.02 -1.26 -5.02 115.26 113.07 2q3r n ASN 249 Ca 0.01 -3.42 -0.14 0.00 -0.03 0.00 0.00 54.58 51.01 2q3r n ASN 249 Cb 0.01 1.40 -0.08 0.00 -0.61 0.00 0.00 39.78 40.49 2q3r n ASN 249 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2q3r h PRO 250 N 3.40 -0.30 -0.74 3.52 0.13 -1.78 -2.02 132.00 134.22 2q3r h PRO 250 Ca -0.08 0.02 0.17 0.00 -0.87 0.00 0.00 66.00 65.24 2q3r h PRO 250 Cb 1.04 0.07 -0.12 0.00 0.13 0.00 0.00 31.00 32.13 2q3r h PRO 250 CO 0.27 -0.05 0.12 0.78 -0.23 0.00 0.00 178.00 178.88 2q3r h GLY 251 N -0.52 0.97 1.04 1.56 0.00 -1.94 0.79 103.07 104.97 2q3r h GLY 251 Ca -0.03 0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 2q3r h GLY 251 CO 0.05 -0.23 -0.07 0.00 0.00 0.00 0.00 176.54 176.28 2q3r h ALA 252 N 1.64 0.67 0.23 3.60 0.00 -1.98 0.93 119.26 124.35 2q3r h ALA 252 Ca 0.42 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2q3r h ALA 252 Cb 0.73 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2q3r h ALA 252 CO -0.56 0.54 -0.11 1.25 0.00 0.00 0.00 179.25 180.37 2q3r h LEU 253 N 0.77 -0.26 -1.10 0.00 5.85 -0.26 -0.79 115.31 119.53 2q3r h LEU 253 Ca 0.13 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 2q3r h LEU 253 Cb 0.62 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 2q3r h LEU 253 CO 0.04 -0.10 -0.16 1.23 -0.34 0.00 0.00 178.44 179.12 2q3r h GLY 254 N -0.41 0.49 1.06 3.75 0.00 0.63 -2.13 103.07 106.46 2q3r h GLY 254 Ca -0.03 -0.35 -0.20 0.00 0.00 0.00 0.00 47.33 46.75 2q3r h GLY 254 CO 0.05 0.32 -0.74 -2.00 0.00 0.00 0.00 176.54 174.17 2q3r h LEU 255 N 0.42 0.81 -0.60 3.11 5.85 -0.74 -2.69 115.31 121.47 2q3r h LEU 255 Ca 0.07 -0.67 -0.06 0.00 0.84 0.00 0.00 57.88 58.07 2q3r h LEU 255 Cb 0.52 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2q3r h LEU 255 CO 0.03 1.36 0.15 0.22 -0.34 0.00 0.00 178.44 179.86 2q3r h TYR 256 N 0.33 1.00 -0.27 1.25 3.20 -1.01 -2.19 116.97 119.27 2q3r h TYR 256 Ca -0.07 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 61.66 2q3r h TYR 256 Cb 1.39 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 2q3r h TYR 256 CO 0.10 0.84 0.08 0.52 -1.64 0.00 0.00 178.16 178.06 2q3r h MET 257 N 0.87 0.43 -0.10 1.82 2.86 -1.44 -0.41 114.93 118.95 2q3r h MET 257 Ca 0.19 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2q3r h MET 257 Cb 0.34 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 2q3r h MET 257 CO 0.00 0.51 0.06 0.00 1.06 0.00 0.00 176.91 178.54 2q3r h ALA 258 N 0.90 0.13 -0.63 6.32 0.00 -1.42 -1.28 119.26 123.28 2q3r h ALA 258 Ca 0.09 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2q3r h ALA 258 Cb 0.26 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2q3r h ALA 258 CO -0.00 -0.35 0.39 0.93 0.00 0.00 0.00 179.25 180.21 2q3r h GLU 259 N 0.10 0.74 0.00 0.00 5.08 -1.37 -0.17 114.58 118.97 2q3r h GLU 259 Ca 0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2q3r h GLU 259 Cb 0.03 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.12 2q3r h GLU 259 CO -0.01 0.49 0.00 0.43 -1.00 0.00 0.00 179.01 178.92 2q3r n SER 260 N -4.72 0.00 0.05 1.42 7.64 -0.17 -2.43 113.62 115.42 2q3r n SER 260 Ca 0.06 0.41 0.04 0.00 1.01 0.00 0.00 58.87 60.38 2q3r n SER 260 Cb 0.09 -0.45 -0.06 0.00 -1.01 0.00 0.00 64.21 62.78 2q3r n SER 260 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2q3r n LEU 261 N -1.45 0.85 0.03 -3.43 4.77 -0.08 -4.14 117.00 113.55 2q3r n LEU 261 Ca 0.03 0.36 -0.12 0.00 -0.03 0.00 0.00 56.01 56.26 2q3r n LEU 261 Cb 0.12 0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.18 2q3r n LEU 261 CO 0.10 0.04 0.88 0.78 -1.33 0.00 0.00 177.39 177.86 2q3r h ASN 262 N 0.00 0.03 -0.89 -1.43 2.35 -1.38 -2.29 115.58 111.97 2q3r h ASN 262 Ca -0.11 -0.01 0.24 0.00 -0.55 0.00 0.00 56.30 55.87 2q3r h ASN 262 Cb 1.40 -0.01 -0.14 0.00 0.05 0.00 0.00 38.32 39.62 2q3r h ASN 262 CO 0.03 0.03 0.30 0.50 -1.65 0.00 0.00 177.43 176.64 2q3r h LYS 263 N 0.03 0.25 0.00 0.81 3.64 -1.72 0.42 116.57 120.01 2q3r h LYS 263 Ca 0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2q3r h LYS 263 Cb 0.00 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2q3r h LYS 263 CO -0.00 0.17 0.00 1.88 -2.27 0.00 0.00 179.45 179.22 2q3r h TYR 264 N 0.26 0.00 -6.24 1.91 -1.99 -1.59 -3.47 116.97 105.85 2q3r h TYR 264 Ca 0.57 0.00 -0.46 0.00 2.00 0.00 0.00 58.73 60.83 2q3r h TYR 264 Cb 1.15 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.87 2q3r h TYR 264 CO -0.21 0.00 -0.75 0.41 -0.00 0.00 0.00 178.16 177.61 2q3r n GLY 265 N 0.57 -0.50 3.88 3.88 0.00 0.15 -4.95 105.19 108.22 2q3r n GLY 265 Ca 0.03 0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.31 3.57 0.11 -0.61 -4.36 -1.25 -4.54 121.20 110.80 2q3r s ILE 266 Ca 0.64 0.48 -0.23 0.00 -0.26 0.00 0.00 60.65 61.27 2q3r s ILE 266 Cb -0.31 -3.50 -0.10 0.00 1.25 0.00 0.00 42.46 39.80 2q3r s ILE 266 CO 0.82 -0.65 1.70 0.25 0.24 0.00 0.00 174.94 177.30 2q3r h LEU 267 N -0.60 -0.24 -7.75 0.37 5.85 -1.30 -3.45 115.31 108.19 2q3r h LEU 267 Ca -0.45 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 2q3r h LEU 267 Cb 1.25 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 42.28 2q3r h LEU 267 CO 0.64 -0.12 -0.04 -0.72 -0.34 0.00 0.00 178.44 177.85 2q3r s TYR 268 N -6.17 -0.02 -0.12 1.25 -0.85 -1.17 -2.75 117.35 107.52 2q3r s TYR 268 Ca -0.14 -0.33 0.02 0.00 -0.52 0.00 0.00 57.07 56.10 2q3r s TYR 268 Cb 0.08 0.30 0.01 0.00 0.38 0.00 0.00 41.96 42.73 2q3r s TYR 268 CO 0.67 -0.87 -0.17 0.00 -1.52 0.00 0.00 175.55 173.65 2q3r s HIS 270 N 0.98 3.12 -0.01 0.00 2.46 -0.04 -1.00 115.29 120.78 2q3r s HIS 270 Ca -0.06 -1.36 0.08 0.00 0.47 0.00 0.00 55.06 54.19 2q3r s HIS 270 Cb -0.15 -2.14 -0.02 0.00 -0.13 0.00 0.00 32.58 30.14 2q3r s HIS 270 CO -0.02 -0.68 -0.25 0.08 -2.47 0.00 0.00 174.74 171.39 2q3r s VAL 271 N 1.39 2.02 0.06 0.89 1.01 -0.34 -0.81 120.40 124.62 2q3r s VAL 271 Ca 0.01 -1.12 -0.23 0.00 0.00 0.00 0.00 61.98 60.64 2q3r s VAL 271 Cb -0.17 -1.68 -0.06 0.00 0.00 0.00 0.00 36.38 34.47 2q3r s VAL 271 CO -0.01 0.54 0.70 -0.63 0.00 0.00 0.00 175.10 175.70 2q3r s ILE 272 N -0.62 4.70 0.69 2.22 1.01 -1.11 -1.95 121.20 126.15 2q3r s ILE 272 Ca 0.10 1.49 -0.14 0.00 0.00 0.00 0.00 60.65 62.10 2q3r s ILE 272 Cb -0.10 -4.04 0.02 0.00 0.01 0.00 0.00 42.46 38.35 2q3r s ILE 272 CO -0.01 0.44 1.13 -0.70 0.00 0.00 0.00 174.94 175.80 2q3r s GLU 273 N -0.45 2.56 0.00 2.79 2.56 0.13 -4.90 118.70 121.39 2q3r s GLU 273 Ca 0.35 1.44 0.00 0.00 0.00 0.00 0.00 54.97 56.75 2q3r s GLU 273 Cb -0.20 -1.92 0.00 0.00 2.00 0.00 0.00 34.13 34.01 2q3r s GLU 273 CO 0.22 -1.45 0.00 0.00 -0.56 0.00 0.00 175.26 173.47 2q3r n ALA 274 N -2.66 0.00 -0.98 6.30 0.00 -1.26 -4.85 120.51 117.06 2q3r n ALA 274 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.22 2q3r n ALA 274 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.23 1.88 0.00 0.00 1.74 -1.26 -5.04 116.66 113.76 2q3r n ARG 275 Ca 0.00 -1.70 0.00 0.00 -0.77 0.00 0.00 57.85 55.38 2q3r n ARG 275 Cb 0.00 -2.71 0.00 0.00 -1.02 0.00 0.00 32.46 28.73 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 5.57 0.00 -2.96 5.56 0.00 -1.26 -5.22 117.12 118.81 2q3r n MET 276 Ca 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 57.70 58.18 2q3r n MET 276 Cb 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 33.22 33.49 2q3r n MET 276 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 175.97 177.55 2q3r n HIS 287 N 0.00 -1.90 0.00 3.17 -0.00 -1.26 -4.92 115.22 110.31 2q3r n HIS 287 Ca 0.00 0.86 0.00 0.00 -0.00 0.00 0.00 57.72 58.58 2q3r n HIS 287 Cb 0.00 -2.42 0.00 0.00 -0.00 0.00 0.00 29.99 27.57 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 1.09 0.00 0.03 3.57 5.66 -1.26 -4.92 114.28 118.46 2q3r n THR 288 Ca -0.01 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.87 2q3r n THR 288 Cb 0.27 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.91 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 0.16 -0.69 1.09 4.07 -2.01 -3.40 115.31 114.53 2q3r h LEU 289 Ca 0.00 -0.24 0.14 0.00 0.08 0.00 0.00 57.88 57.86 2q3r h LEU 289 Cb 0.00 -0.05 -0.13 0.00 1.08 0.00 0.00 40.66 41.56 2q3r h LEU 289 CO 0.00 1.20 -0.17 0.24 -1.08 0.00 0.00 178.44 178.63 2q3r h MET 290 N 0.03 0.00 -0.69 1.13 2.86 -1.98 0.31 114.93 116.58 2q3r h MET 290 Ca -0.20 -0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.53 2q3r h MET 290 Cb 1.95 -0.00 -0.07 0.00 0.06 0.00 0.00 31.60 33.54 2q3r h MET 290 CO 0.13 0.00 0.34 -1.35 1.06 0.00 0.00 176.91 177.09 2q3r h PRO 291 N 0.00 0.57 -0.33 -0.22 0.11 -2.00 0.29 132.00 130.43 2q3r h PRO 291 Ca 0.33 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.33 2q3r h PRO 291 Cb 0.51 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 2q3r h PRO 291 CO -0.71 0.38 -0.11 0.52 -0.21 0.00 0.00 178.00 177.86 2q3r h MET 292 N 0.59 0.66 0.04 1.05 2.86 -1.19 -0.78 114.93 118.16 2q3r h MET 292 Ca 0.34 -0.27 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2q3r h MET 292 Cb 0.35 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 2q3r h MET 292 CO -0.26 0.85 -0.06 -0.09 1.06 0.00 0.00 176.91 178.41 2q3r h ARG 293 N 0.44 -0.13 -0.14 1.72 9.65 0.29 0.33 114.38 126.55 2q3r h ARG 293 Ca 0.08 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 59.01 2q3r h ARG 293 Cb 0.63 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.20 2q3r h ARG 293 CO 0.04 -0.08 -0.11 0.87 2.80 0.00 0.00 179.97 183.48 2q3r h LYS 294 N -0.13 -0.12 0.00 0.20 1.57 -0.39 -3.16 116.57 114.53 2q3r h LYS 294 Ca 0.01 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2q3r h LYS 294 Cb 0.14 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2q3r h LYS 294 CO -0.03 -0.08 0.00 0.00 -0.57 0.00 0.00 179.45 178.76 2q3r n ALA 295 N -2.49 -0.27 -1.69 3.86 0.00 -0.30 -4.55 120.51 115.06 2q3r n ALA 295 Ca -0.03 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.97 2q3r n ALA 295 Cb 0.18 0.18 -0.04 0.00 0.00 0.00 0.00 19.45 19.77 2q3r n ALA 295 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2q3r n PHE 296 N -2.17 2.50 0.10 0.00 7.35 0.07 -4.83 117.46 120.48 2q3r n PHE 296 Ca 0.00 0.13 0.07 0.00 -0.76 0.00 0.00 57.45 56.88 2q3r n PHE 296 Cb 0.00 -2.62 -0.00 0.00 0.35 0.00 0.00 39.48 37.21 2q3r n PHE 296 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2q3r h LYS 297 N 6.62 0.00 0.00 -4.13 1.79 -1.80 -3.45 116.57 115.61 2q3r h LYS 297 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 2q3r h LYS 297 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 2q3r h LYS 297 CO 0.92 0.16 0.00 0.41 -1.08 0.00 0.00 179.45 179.86 2q3r n GLY 298 N 1.25 -0.11 3.63 3.86 0.00 -1.26 -5.02 105.19 107.55 2q3r n GLY 298 Ca -0.02 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.12 3.19 -4.26 2.61 -1.04 -1.11 -4.86 114.28 107.68 2q3r n THR 299 Ca 0.00 -0.50 -0.21 0.00 -2.04 0.00 0.00 64.05 61.30 2q3r n THR 299 Cb 0.00 -1.24 -0.16 0.00 -1.82 0.00 0.00 70.33 67.10 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 -1.39 0.87 -0.10 -1.42 5.36 -1.26 -1.92 117.98 118.12 2q3r s PHE 300 Ca 0.70 -0.26 0.02 0.00 -0.96 0.00 0.00 56.93 56.43 2q3r s PHE 300 Cb -0.47 -0.72 -0.02 0.00 -0.34 0.00 0.00 43.02 41.48 2q3r s PHE 300 CO 0.51 -0.19 -0.16 0.42 -1.46 0.00 0.00 175.22 174.35 2q3r s ILE 301 N 0.78 2.85 0.02 3.12 1.01 -0.17 -0.64 121.20 128.17 2q3r s ILE 301 Ca -0.12 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 59.83 2q3r s ILE 301 Cb -0.14 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 2q3r s ILE 301 CO 0.01 0.55 -0.12 -0.44 0.00 0.00 0.00 174.94 174.94 2q3r s SER 302 N 0.00 4.27 0.09 3.58 0.01 -1.01 -1.19 113.70 119.46 2q3r s SER 302 Ca -0.05 -0.27 -0.09 0.00 1.31 0.00 0.00 55.95 56.85 2q3r s SER 302 Cb -0.14 -0.87 -0.00 0.00 0.21 0.00 0.00 66.02 65.21 2q3r s SER 302 CO 0.04 0.27 0.20 0.00 0.41 0.00 0.00 173.24 174.16 2q3r s ALA 303 N -0.98 -0.24 0.00 1.44 0.00 -0.82 -1.60 121.76 119.57 2q3r s ALA 303 Ca 0.16 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.51 2q3r s ALA 303 Cb -0.11 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.53 2q3r s ALA 303 CO 0.07 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.72 2q3r n GLY 304 N -0.08 -1.34 0.00 0.00 0.00 -1.26 0.19 105.19 102.70 2q3r n GLY 304 Ca -0.15 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 0.75 2.58 3.51 -0.02 0.00 -1.26 -4.39 105.19 106.36 2q3r n GLY 305 Ca 0.00 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 2q3r n GLY 305 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2q3r n PHE 306 N 0.00 -0.40 -3.20 1.61 3.01 -1.26 -4.97 117.46 112.25 2q3r n PHE 306 Ca 0.00 0.35 0.00 0.00 1.01 0.00 0.00 57.45 58.81 2q3r n PHE 306 Cb 0.00 -1.95 0.00 0.00 -0.01 0.00 0.00 39.48 37.52 2q3r n PHE 306 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2q3r n THR 307 N -2.66 0.00 0.03 4.37 -2.24 -1.26 -4.88 114.28 107.64 2q3r n THR 307 Ca 0.10 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.83 2q3r n THR 307 Cb 0.50 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.88 2q3r n THR 307 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2q3r h ARG 308 N 0.00 0.45 0.01 -0.78 2.43 -1.99 -2.43 114.38 112.07 2q3r h ARG 308 Ca 0.00 -0.23 -0.38 0.00 -0.81 0.00 0.00 59.98 58.57 2q3r h ARG 308 Cb 0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.49 2q3r h ARG 308 CO 0.00 0.78 -2.39 0.39 -1.51 0.00 0.00 179.97 177.25 2q3r n GLU 309 N -4.02 0.67 -0.10 0.20 4.71 -1.26 -3.44 120.64 117.39 2q3r n GLU 309 Ca -0.02 0.12 -0.06 0.00 -0.01 0.00 0.00 57.16 57.20 2q3r n GLU 309 Cb 0.50 -1.55 0.01 0.00 -1.01 0.00 0.00 31.44 29.40 2q3r n GLU 309 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 2q3r h ASP 310 N 0.01 -0.19 0.22 1.62 1.82 -1.93 0.32 116.42 118.29 2q3r h ASP 310 Ca -0.55 0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.17 2q3r h ASP 310 Cb 2.01 0.16 0.00 0.00 0.68 0.00 0.00 39.33 42.18 2q3r h ASP 310 CO -0.04 -0.06 -0.10 1.23 -1.61 0.00 0.00 179.24 178.66 2q3r h GLY 311 N 0.07 -0.30 -0.18 -0.78 0.00 -1.61 -2.90 103.07 97.37 2q3r h GLY 311 Ca 0.17 0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.68 2q3r h GLY 311 CO -0.30 -0.11 -0.39 3.43 0.00 0.00 0.00 176.54 179.17 2q3r h ASN 312 N -0.49 -1.27 -0.79 0.19 2.35 -1.52 0.03 115.58 114.07 2q3r h ASN 312 Ca -0.03 0.20 0.07 0.00 -0.55 0.00 0.00 56.30 55.99 2q3r h ASN 312 Cb 0.37 0.56 -0.09 0.00 0.05 0.00 0.00 38.32 39.21 2q3r h ASN 312 CO 0.05 -0.36 -0.47 1.21 -1.65 0.00 0.00 177.43 176.21 2q3r n GLU 313 N -5.42 -0.35 0.26 0.81 4.07 0.08 0.96 120.64 121.05 2q3r n GLU 313 Ca -0.01 1.30 0.08 0.00 -0.06 0.00 0.00 57.16 58.48 2q3r n GLU 313 Cb 0.35 -1.92 0.64 0.00 -0.06 0.00 0.00 31.44 30.46 2q3r n GLU 313 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2q3r h ALA 314 N 0.28 1.88 0.11 4.31 0.00 -1.11 -1.17 119.26 123.56 2q3r h ALA 314 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2q3r h ALA 314 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2q3r h ALA 314 CO -0.74 0.05 -0.05 0.28 0.00 0.00 0.00 179.25 178.78 2q3r h VAL 315 N 0.00 0.00 -0.17 0.00 2.07 0.25 0.11 116.25 118.51 2q3r h VAL 315 Ca -0.00 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.23 2q3r h VAL 315 Cb 0.07 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.78 2q3r h VAL 315 CO 0.00 0.00 -0.23 0.77 0.02 0.00 0.00 177.57 178.13 2q3r h SER 316 N -0.49 -0.74 0.01 0.57 4.64 -0.71 0.79 113.55 117.63 2q3r h SER 316 Ca -0.01 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2q3r h SER 316 Cb 0.11 0.34 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2q3r h SER 316 CO 0.02 -0.28 0.00 0.29 -0.87 0.00 0.00 176.83 175.99 2q3r n LYS 317 N -5.37 0.24 -1.11 4.77 4.76 -0.45 -4.82 118.16 116.17 2q3r n LYS 317 Ca -0.02 0.02 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 2q3r n LYS 317 Cb 0.28 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.95 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 -0.52 0.66 0.00 0.72 0.00 0.27 -4.99 105.19 101.33 2q3r n GLY 318 Ca 0.06 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.25 0.00 -2.30 1.61 1.74 0.36 -4.82 116.66 111.00 2q3r n ARG 319 Ca -0.04 0.01 -0.26 0.00 -0.77 0.00 0.00 57.85 56.79 2q3r n ARG 319 Cb 0.21 -0.57 0.05 0.00 -1.02 0.00 0.00 32.46 31.14 2q3r n ARG 319 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2q3r s THR 320 N -0.13 2.79 -0.01 0.55 -1.32 -1.16 -5.04 115.64 111.31 2q3r s THR 320 Ca 0.00 -0.20 -0.00 0.00 -1.21 0.00 0.00 61.69 60.27 2q3r s THR 320 Cb 0.00 -3.16 -0.00 0.00 -1.51 0.00 0.00 72.50 67.83 2q3r s THR 320 CO 0.00 -0.16 -0.00 0.44 -2.21 0.00 0.00 174.62 172.68 2q3r h ASP 321 N -0.40 0.00 -0.52 8.08 3.32 -1.41 -3.42 116.42 122.07 2q3r h ASP 321 Ca -0.45 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.02 2q3r h ASP 321 Cb 1.29 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.80 2q3r h ASP 321 CO 0.60 0.05 -0.29 -0.76 -1.72 0.00 0.00 179.24 177.12 2q3r s LEU 322 N -4.55 2.68 -0.09 1.55 1.43 0.18 -4.91 118.68 114.97 2q3r s LEU 322 Ca -0.00 -1.26 -0.03 0.00 -1.03 0.00 0.00 54.13 51.81 2q3r s LEU 322 Cb 0.00 -1.17 0.04 0.00 0.03 0.00 0.00 46.19 45.09 2q3r s LEU 322 CO 0.01 -1.14 0.07 -0.69 0.23 0.00 0.00 176.35 174.83 2q3r s VAL 323 N -2.78 -0.09 -0.18 -1.59 1.01 0.56 -2.39 120.40 114.94 2q3r s VAL 323 Ca 0.34 0.18 -0.15 0.00 0.00 0.00 0.00 61.98 62.36 2q3r s VAL 323 Cb -0.02 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 2q3r s VAL 323 CO 0.21 -0.01 0.33 0.00 0.00 0.00 0.00 175.10 175.64 2q3r s ALA 324 N 2.15 3.57 -0.07 5.51 0.00 -0.62 -0.18 121.76 132.12 2q3r s ALA 324 Ca 0.04 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.49 2q3r s ALA 324 Cb -0.14 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.45 2q3r s ALA 324 CO -0.05 -0.12 -0.09 0.71 0.00 0.00 0.00 175.76 176.21 2q3r s TYR 325 N 0.91 2.88 0.00 0.00 2.02 -0.96 -4.28 117.35 117.92 2q3r s TYR 325 Ca 0.17 -0.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.84 2q3r s TYR 325 Cb -0.14 -1.70 0.00 0.00 -0.40 0.00 0.00 41.96 39.73 2q3r s TYR 325 CO 0.06 0.29 0.00 0.41 -1.57 0.00 0.00 175.55 174.74 2q3r n GLY 326 N 2.27 -0.00 0.35 0.71 0.00 -1.26 -2.54 105.19 104.71 2q3r n GLY 326 Ca -0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 0.77 0.00 1.61 3.08 -1.97 0.63 114.38 118.50 2q3r h ARG 327 Ca 0.00 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 59.83 2q3r h ARG 327 Cb 0.00 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 2q3r h ARG 327 CO 0.00 0.51 -0.84 -1.49 -1.07 0.00 0.00 179.97 177.08 2q3r h TRP 328 N 0.79 0.00 0.06 3.04 -0.00 -1.95 -2.10 115.95 115.79 2q3r h TRP 328 Ca 0.29 0.00 -0.24 0.00 -0.00 0.00 0.00 58.89 58.95 2q3r h TRP 328 Cb 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.31 2q3r h TRP 328 CO -0.00 0.84 -1.06 0.35 -0.00 0.00 0.00 178.44 178.57 2q3r h PHE 329 N 0.00 0.37 -0.29 0.49 3.04 -1.52 0.45 116.94 119.49 2q3r h PHE 329 Ca -0.01 -0.24 0.00 0.00 3.98 0.00 0.00 57.97 61.70 2q3r h PHE 329 Cb 1.52 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.99 2q3r h PHE 329 CO 0.00 1.13 0.19 1.25 -2.02 0.00 0.00 178.31 178.87 2q3r h LEU 330 N 0.09 0.33 -0.18 0.59 6.46 0.28 -3.08 115.31 119.81 2q3r h LEU 330 Ca -0.08 -0.01 -0.22 0.00 -0.12 0.00 0.00 57.88 57.45 2q3r h LEU 330 Cb 1.75 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.60 2q3r h LEU 330 CO 0.17 0.24 -0.93 0.00 -0.62 0.00 0.00 178.44 177.30 2q3r h ALA 331 N 1.11 0.37 -2.98 1.25 0.00 -1.29 -3.43 119.26 114.29 2q3r h ALA 331 Ca 0.11 -0.70 -0.70 0.00 0.00 0.00 0.00 54.91 53.61 2q3r h ALA 331 Cb -0.05 -0.02 -0.33 0.00 0.00 0.00 0.00 17.79 17.40 2q3r h ALA 331 CO -0.02 0.81 -0.50 -0.80 0.00 0.00 0.00 179.25 178.74 2q3r s ASN 332 N -7.08 5.40 0.52 0.00 0.02 0.16 -4.63 114.94 109.33 2q3r s ASN 332 Ca -0.06 -1.97 0.17 0.00 -1.02 0.00 0.00 52.86 49.98 2q3r s ASN 332 Cb 0.09 -1.89 1.28 0.00 0.02 0.00 0.00 41.25 40.75 2q3r s ASN 332 CO 0.87 -0.59 2.12 1.55 0.02 0.00 0.00 177.10 181.07 2q3r h PRO 333 N 8.19 0.02 -1.17 -0.60 0.13 -1.83 -2.00 132.00 134.74 2q3r h PRO 333 Ca -0.16 -0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.32 2q3r h PRO 333 Cb 1.06 -0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.85 2q3r h PRO 333 CO 0.75 0.01 0.33 -0.40 -0.23 0.00 0.00 178.00 178.46 2q3r n ASP 334 N -4.51 6.69 -0.18 1.44 3.85 -1.26 -3.97 116.55 118.60 2q3r n ASP 334 Ca -0.01 -3.78 -0.01 0.00 -0.71 0.00 0.00 54.79 50.28 2q3r n ASP 334 Cb 0.16 -0.78 0.08 0.00 -1.35 0.00 0.00 41.12 39.23 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 2.28 -0.02 -0.04 -2.12 5.85 -1.69 -2.54 115.31 117.05 2q3r h LEU 335 Ca 0.51 0.10 0.03 0.00 0.84 0.00 0.00 57.88 59.37 2q3r h LEU 335 Cb 0.86 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 2q3r h LEU 335 CO 1.29 0.01 -0.40 -0.65 -0.34 0.00 0.00 178.44 178.35 2q3r h PRO 336 N 0.24 -0.51 -0.84 5.25 0.11 -1.88 -0.56 132.00 133.80 2q3r h PRO 336 Ca 0.28 0.03 0.13 0.00 0.11 0.00 0.00 66.00 66.56 2q3r h PRO 336 Cb 0.39 0.12 -0.06 0.00 0.11 0.00 0.00 31.00 31.56 2q3r h PRO 336 CO -0.37 -0.34 0.55 -0.22 -0.21 0.00 0.00 178.00 177.41 2q3r h LYS 337 N -0.53 0.63 -0.13 1.05 1.63 -1.92 0.29 116.57 117.59 2q3r h LYS 337 Ca 0.06 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 2q3r h LYS 337 Cb 0.63 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 2q3r h LYS 337 CO -0.33 0.42 0.04 0.00 -3.45 0.00 0.00 179.45 176.13 2q3r h ARG 338 N 0.65 0.19 0.00 1.90 3.08 -0.86 2.33 114.38 121.66 2q3r h ARG 338 Ca 0.41 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.42 2q3r h ARG 338 Cb 0.68 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2q3r h ARG 338 CO -0.17 0.32 0.00 1.19 -1.07 0.00 0.00 179.97 180.24 2q3r n PHE 339 N -4.88 0.00 -0.02 3.04 3.72 -0.07 -0.80 117.46 118.45 2q3r n PHE 339 Ca -0.05 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.30 2q3r n PHE 339 Cb 0.13 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.66 2q3r n PHE 339 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2q3r n GLN 340 N -0.88 0.23 -1.02 -1.08 7.27 0.04 -4.66 117.38 117.28 2q3r n GLN 340 Ca 0.10 0.09 -0.22 0.00 0.07 0.00 0.00 57.00 57.04 2q3r n GLN 340 Cb 0.04 -0.91 0.06 0.00 2.41 0.00 0.00 30.24 31.85 2q3r n GLN 340 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2q3r n VAL 341 N -3.88 3.02 -0.10 1.69 0.31 0.76 -4.96 118.33 115.17 2q3r n VAL 341 Ca -0.08 -2.02 0.00 0.00 -0.01 0.00 0.00 64.34 62.24 2q3r n VAL 341 Cb 0.26 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 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 -0.17 0.00 -4.16 4.52 2.03 0.02 -4.86 116.55 113.94 2q3r n ASP 342 Ca 0.42 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.63 2q3r n ASP 342 Cb 0.69 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.99 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 0.00 0.90 0.96 -1.67 0.00 -1.05 -5.04 121.76 115.85 2q3r s ALA 343 Ca 0.00 -1.32 -0.12 0.00 0.00 0.00 0.00 51.96 50.52 2q3r s ALA 343 Cb 0.00 0.18 0.16 0.00 0.00 0.00 0.00 23.12 23.46 2q3r s ALA 343 CO 0.00 -0.26 1.09 -1.25 0.00 0.00 0.00 175.76 175.34 2q3r s PRO 344 N -3.84 0.76 0.05 0.00 0.04 -1.26 -4.83 135.00 125.92 2q3r s PRO 344 Ca 0.11 0.71 0.06 0.00 0.04 0.00 0.00 61.00 61.91 2q3r s PRO 344 Cb 0.06 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.80 2q3r s PRO 344 CO -0.06 -2.55 -0.12 -0.51 0.04 0.00 0.00 177.00 173.80 2q3r s LEU 345 N -6.39 2.93 0.57 -3.56 1.43 -1.26 -5.04 118.68 107.35 2q3r s LEU 345 Ca 0.65 -0.32 -0.19 0.00 -1.03 0.00 0.00 54.13 53.23 2q3r s LEU 345 Cb -0.19 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 2q3r s LEU 345 CO 0.58 0.24 1.16 0.20 0.23 0.00 0.00 176.35 178.76 2q3r s ASN 346 N -1.69 5.48 0.32 2.29 0.01 -1.26 -4.99 114.94 115.09 2q3r s ASN 346 Ca 0.18 2.27 -0.26 0.00 -0.71 0.00 0.00 52.86 54.34 2q3r s ASN 346 Cb -0.11 -2.59 -0.10 0.00 0.41 0.00 0.00 41.25 38.87 2q3r s ASN 346 CO 0.09 -1.39 0.93 -0.54 -1.51 0.00 0.00 177.10 174.68 2q3r s LYS 347 N -3.31 4.56 0.09 -0.60 1.02 -1.26 -4.75 119.74 115.48 2q3r s LYS 347 Ca 0.75 1.29 -0.20 0.00 0.02 0.00 0.00 55.97 57.83 2q3r s LYS 347 Cb -0.27 -2.80 -0.07 0.00 -0.52 0.00 0.00 37.83 34.18 2q3r s LYS 347 CO 0.30 0.28 0.60 1.52 -0.92 0.00 0.00 175.35 177.13 2q3r s TYR 348 N -1.62 3.83 -0.80 3.18 -0.85 -1.26 -4.92 117.35 114.91 2q3r s TYR 348 Ca 0.50 1.34 -0.11 0.00 -0.52 0.00 0.00 57.07 58.27 2q3r s TYR 348 Cb -0.18 -2.54 0.21 0.00 0.38 0.00 0.00 41.96 39.82 2q3r s TYR 348 CO 0.23 0.58 0.71 0.34 -1.52 0.00 0.00 175.55 175.89 2q3r s ASP 349 N -1.11 6.47 0.22 -0.18 2.15 -1.26 -4.95 116.67 118.00 2q3r s ASP 349 Ca 0.30 -2.77 -0.10 0.00 0.43 0.00 0.00 52.55 50.41 2q3r s ASP 349 Cb -0.20 -2.14 0.34 0.00 -0.30 0.00 0.00 42.92 40.62 2q3r s ASP 349 CO 0.20 -0.52 1.65 0.03 -0.17 0.00 0.00 175.17 176.37 2q3r h ARG 350 N 7.56 0.11 0.00 4.34 3.08 -2.00 -0.15 114.38 127.33 2q3r h ARG 350 Ca 0.09 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2q3r h ARG 350 Cb 1.01 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.04 2q3r h ARG 350 CO 0.75 0.07 0.51 -1.35 -1.07 0.00 0.00 179.97 178.88 2q3r h PRO 351 N 0.11 0.00 -0.11 0.04 0.11 -2.02 0.32 132.00 130.45 2q3r h PRO 351 Ca 0.35 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.46 2q3r h PRO 351 Cb 0.59 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.69 2q3r h PRO 351 CO -0.57 0.00 -0.01 0.25 -0.21 0.00 0.00 178.00 177.45 2q3r n THR 352 N -2.58 2.07 -0.01 -1.15 -2.24 -0.07 -4.43 114.28 105.86 2q3r n THR 352 Ca -0.01 -2.15 -0.13 0.00 -2.27 0.00 0.00 64.05 59.49 2q3r n THR 352 Cb 0.54 -0.25 -0.08 0.00 -2.10 0.00 0.00 70.33 68.43 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 0.76 0.08 -0.02 4.78 -1.00 -0.30 -3.36 116.94 117.89 2q3r h PHE 353 Ca 0.01 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.77 2q3r h PHE 353 Cb 1.19 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.73 2q3r h PHE 353 CO 0.24 0.42 -0.01 0.66 -1.61 0.00 0.00 178.31 178.00 2q3r n TYR 354 N -4.86 0.00 -0.77 -0.55 4.01 -1.26 -4.57 117.16 109.17 2q3r n TYR 354 Ca -0.07 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.37 2q3r n TYR 354 Cb 0.21 0.00 0.24 0.00 -0.31 0.00 0.00 39.34 39.48 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 -1.15 1.69 -0.40 -0.72 -4.23 -1.26 -4.66 115.64 104.92 2q3r s THR 355 Ca 0.16 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.72 2q3r s THR 355 Cb 0.11 -2.26 0.43 0.00 1.34 0.00 0.00 72.50 72.12 2q3r s THR 355 CO 0.18 0.00 1.18 -1.54 -0.54 0.00 0.00 174.62 173.90 2q3r n SER 356 N -4.93 4.93 -4.86 3.99 3.41 -1.26 -4.63 113.62 110.26 2q3r n SER 356 Ca 0.08 -3.74 -0.36 0.00 -0.26 0.00 0.00 58.87 54.60 2q3r n SER 356 Cb 0.58 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 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 -3.46 6.64 0.55 4.04 2.15 -1.26 -4.96 116.67 120.36 2q3r s ASP 357 Ca 0.50 0.77 0.27 0.00 0.43 0.00 0.00 52.55 54.52 2q3r s ASP 357 Cb 0.41 -2.17 1.60 0.00 -0.30 0.00 0.00 42.92 42.45 2q3r s ASP 357 CO -0.11 0.25 2.16 -0.65 -0.17 0.00 0.00 175.17 176.65 2q3r h PRO 358 N 4.15 0.00 0.00 4.34 0.11 -1.96 -3.40 132.00 135.25 2q3r h PRO 358 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2q3r h PRO 358 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2q3r h PRO 358 CO 0.64 0.07 -0.00 0.28 -0.21 0.00 0.00 178.00 178.78 2q3r n VAL 359 N -3.80 0.00 -1.24 3.15 0.31 -1.26 -4.37 118.33 111.13 2q3r n VAL 359 Ca -0.02 0.02 -0.51 0.00 -0.01 0.00 0.00 64.34 63.81 2q3r n VAL 359 Cb 0.16 -1.02 -0.12 0.00 -0.91 0.00 0.00 33.84 31.95 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 -2.50 0.00 -0.97 2.52 0.31 -1.26 0.17 118.33 116.60 2q3r n VAL 360 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2q3r n VAL 360 Cb 0.00 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 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 6.76 0.50 1.43 2.92 0.00 -1.26 -4.56 105.19 110.98 2q3r n GLY 361 Ca 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.97 -0.93 0.14 1.61 9.36 0.46 -4.73 117.16 120.11 2q3r n TYR 362 Ca 0.00 0.16 0.02 0.00 3.32 0.00 0.00 57.90 61.40 2q3r n TYR 362 Cb 0.00 0.24 0.01 0.00 -0.63 0.00 0.00 39.34 38.96 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 -3.40 0.00 1.63 2.97 -2.24 0.03 -4.65 114.28 108.62 2q3r n THR 363 Ca 0.00 -0.49 0.14 0.00 -2.27 0.00 0.00 64.05 61.44 2q3r n THR 363 Cb 0.04 1.06 0.64 0.00 -2.10 0.00 0.00 70.33 69.97 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 -0.03 1.08 -4.67 3.42 3.85 -1.19 -4.81 116.55 114.19 2q3r n ASP 364 Ca 0.02 -1.37 -0.42 0.00 -0.71 0.00 0.00 54.79 52.31 2q3r n ASP 364 Cb 0.08 -0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 39.82 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 -1.99 2.19 0.37 2.11 2.02 -1.26 -4.95 117.35 115.83 2q3r s TYR 365 Ca 0.40 0.28 -0.24 0.00 -0.37 0.00 0.00 57.07 57.14 2q3r s TYR 365 Cb 0.21 -3.92 -0.10 0.00 -0.40 0.00 0.00 41.96 37.76 2q3r s TYR 365 CO 0.34 -3.77 0.98 -1.25 -1.57 0.00 0.00 175.55 170.28 2q3r s PRO 366 N 3.42 4.39 0.79 -1.71 0.04 -1.26 -4.67 135.00 136.00 2q3r s PRO 366 Ca 0.73 1.34 -0.12 0.00 0.04 0.00 0.00 61.00 62.99 2q3r s PRO 366 Cb -0.35 -2.60 0.07 0.00 0.04 0.00 0.00 34.50 31.65 2q3r s PRO 366 CO 0.31 0.10 1.16 -0.06 0.04 0.00 0.00 177.00 178.54 2q3r s PHE 367 N -1.74 3.02 0.61 0.56 0.40 -1.26 -4.64 117.98 114.93 2q3r s PHE 367 Ca 0.55 0.80 -0.18 0.00 -0.60 0.00 0.00 56.93 57.50 2q3r s PHE 367 Cb -0.18 -3.41 -0.03 0.00 0.51 0.00 0.00 43.02 39.92 2q3r s PHE 367 CO 0.23 -1.65 1.24 -0.51 0.70 0.00 0.00 175.22 175.22 2q3r s LEU 368 N -5.53 3.63 0.00 -0.37 1.43 -1.26 -5.09 118.68 111.49 2q3r s LEU 368 Ca 0.61 2.47 0.31 0.00 -1.03 0.00 0.00 54.13 56.49 2q3r s LEU 368 Cb -0.11 -4.61 1.71 0.00 0.03 0.00 0.00 46.19 43.21 2q3r s LEU 368 CO 0.49 -1.74 2.12 -0.62 0.23 0.00 0.00 176.35 176.83