#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q3r s VAL 10 N 0.00 5.03 0.25 2.46 1.01 -1.26 -4.99 120.40 122.90 2q3r s VAL 10 Ca 0.00 1.05 -0.13 0.00 0.00 0.00 0.00 61.98 62.90 2q3r s VAL 10 Cb 0.00 -3.90 0.34 0.00 0.00 0.00 0.00 36.38 32.82 2q3r s VAL 10 CO 0.00 0.07 1.56 -0.65 0.00 0.00 0.00 175.10 176.09 2q3r h PRO 11 N 7.81 -0.01 -0.18 2.72 0.11 -1.97 0.21 132.00 140.69 2q3r h PRO 11 Ca -0.29 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 2q3r h PRO 11 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2q3r h PRO 11 CO 0.75 -0.01 0.02 -0.07 -0.21 0.00 0.00 178.00 178.48 2q3r h LEU 12 N -0.01 0.23 -1.89 2.35 3.38 -1.86 -2.03 115.31 115.47 2q3r h LEU 12 Ca 0.40 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.35 2q3r h LEU 12 Cb 0.65 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2q3r h LEU 12 CO -0.96 0.26 0.00 0.18 0.09 0.00 0.00 178.44 178.02 2q3r n LEU 13 N -4.40 2.80 -4.81 1.67 7.99 0.70 -0.53 117.00 120.41 2q3r n LEU 13 Ca -0.00 -1.41 -0.38 0.00 -0.01 0.00 0.00 56.01 54.21 2q3r n LEU 13 Cb 0.16 -0.40 -0.06 0.00 -0.11 0.00 0.00 43.42 43.01 2q3r n LEU 13 CO 0.36 0.52 0.18 0.42 -1.51 0.00 0.00 177.39 177.36 2q3r s THR 14 N -1.65 4.95 0.94 -5.08 -4.23 -0.77 -4.80 115.64 105.01 2q3r s THR 14 Ca 0.29 1.00 -0.11 0.00 -1.18 0.00 0.00 61.69 61.70 2q3r s THR 14 Cb 0.18 -3.80 0.13 0.00 1.34 0.00 0.00 72.50 70.35 2q3r s THR 14 CO 0.15 0.52 0.98 -2.65 -0.54 0.00 0.00 174.62 173.08 2q3r n PRO 15 N 2.13 -0.57 -3.70 3.99 -0.02 -1.22 -3.84 135.00 131.77 2q3r n PRO 15 Ca -0.11 -0.11 -0.14 0.00 -2.02 0.00 0.00 63.50 61.12 2q3r n PRO 15 Cb 0.52 -2.25 -0.08 0.00 -0.02 0.00 0.00 33.50 31.67 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 -2.57 -0.26 -0.41 6.00 5.04 -0.40 -4.93 117.35 119.81 2q3r s TYR 16 Ca 0.65 0.35 -0.04 0.00 -2.44 0.00 0.00 57.07 55.59 2q3r s TYR 16 Cb -0.23 0.17 0.11 0.00 0.35 0.00 0.00 41.96 42.36 2q3r s TYR 16 CO 0.60 -0.48 0.21 0.21 -1.34 0.00 0.00 175.55 174.76 2q3r s LYS 17 N -1.72 2.08 -0.85 4.97 2.47 -1.26 -1.34 119.74 124.09 2q3r s LYS 17 Ca -0.10 -1.78 -0.21 0.00 -1.56 0.00 0.00 55.97 52.31 2q3r s LYS 17 Cb -0.03 -3.60 0.09 0.00 -1.46 0.00 0.00 37.83 32.83 2q3r s LYS 17 CO 0.03 -1.06 1.15 1.41 0.16 0.00 0.00 175.35 177.03 2q3r s MET 18 N 1.17 3.41 7.62 4.03 -2.45 -0.68 -4.86 119.30 127.55 2q3r s MET 18 Ca 0.07 -1.23 0.00 0.00 -1.25 0.00 0.00 55.69 53.28 2q3r s MET 18 Cb -0.23 -4.73 0.00 0.00 1.25 0.00 0.00 34.83 31.12 2q3r s MET 18 CO -0.04 -1.90 0.00 0.41 1.05 0.00 0.00 175.02 174.55 2q3r n GLY 19 N 5.70 4.04 0.64 2.11 0.00 -1.26 0.11 105.19 116.54 2q3r n GLY 19 Ca 0.15 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.37 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 14.00 1.86 -3.12 1.61 3.00 -1.26 -4.85 116.66 127.90 2q3r n ARG 20 Ca 0.00 -1.28 -0.42 0.00 -0.00 0.00 0.00 57.85 56.15 2q3r n ARG 20 Cb 0.00 -1.45 -0.07 0.00 0.00 0.00 0.00 32.46 30.95 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 -1.86 3.16 -0.61 -0.14 0.40 0.12 -5.01 117.98 114.04 2q3r s PHE 21 Ca 0.35 0.38 -0.27 0.00 -0.60 0.00 0.00 56.93 56.79 2q3r s PHE 21 Cb 0.20 -3.09 -0.02 0.00 0.51 0.00 0.00 43.02 40.61 2q3r s PHE 21 CO 0.30 -0.59 1.87 -0.80 0.70 0.00 0.00 175.22 176.70 2q3r s ASN 22 N 1.76 5.26 -0.22 1.36 0.01 -1.26 -1.69 114.94 120.17 2q3r s ASN 22 Ca 0.24 0.35 -0.13 0.00 -0.71 0.00 0.00 52.86 52.61 2q3r s ASN 22 Cb -0.15 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 38.94 2q3r s ASN 22 CO 0.14 -2.38 0.27 -0.76 -1.51 0.00 0.00 177.10 172.86 2q3r s LEU 23 N 9.10 4.14 0.13 0.60 1.43 -0.45 -4.93 118.68 128.70 2q3r s LEU 23 Ca 0.68 0.30 -0.16 0.00 -1.03 0.00 0.00 54.13 53.91 2q3r s LEU 23 Cb -0.13 -2.29 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 2q3r s LEU 23 CO 0.21 0.00 1.71 -1.28 0.23 0.00 0.00 176.35 177.22 2q3r h SER 24 N 7.43 0.49 -3.24 2.29 0.87 -1.36 -1.07 113.55 118.96 2q3r h SER 24 Ca -0.37 -0.13 -0.18 0.00 -1.23 0.00 0.00 61.79 59.88 2q3r h SER 24 Cb 1.17 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.96 2q3r h SER 24 CO 0.69 0.48 -0.07 0.00 -0.53 0.00 0.00 176.83 177.40 2q3r n HIS 25 N -4.71 -1.28 -0.25 2.24 -0.00 -1.26 -3.43 115.22 106.53 2q3r n HIS 25 Ca -0.00 -1.68 0.09 0.00 -0.00 0.00 0.00 57.72 56.12 2q3r n HIS 25 Cb 0.11 0.44 0.23 0.00 -0.00 0.00 0.00 29.99 30.77 2q3r n HIS 25 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2q3r n ARG 26 N -0.42 2.76 -3.10 -1.40 1.74 0.31 -4.73 116.66 111.82 2q3r n ARG 26 Ca -0.00 -2.34 -0.42 0.00 -0.77 0.00 0.00 57.85 54.32 2q3r n ARG 26 Cb 0.43 -1.42 -0.06 0.00 -1.02 0.00 0.00 32.46 30.39 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 -1.01 4.88 -0.12 1.55 1.01 -1.26 -2.39 120.40 123.06 2q3r s VAL 27 Ca 0.36 0.65 -0.03 0.00 0.00 0.00 0.00 61.98 62.96 2q3r s VAL 27 Cb 0.19 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 2q3r s VAL 27 CO 0.25 -0.30 -0.02 -0.69 0.00 0.00 0.00 175.10 174.33 2q3r s VAL 28 N 2.73 4.09 -0.30 2.92 1.01 -0.08 -4.50 120.40 126.27 2q3r s VAL 28 Ca 0.25 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.63 2q3r s VAL 28 Cb -0.14 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 2q3r s VAL 28 CO 0.15 0.54 1.44 -0.22 0.00 0.00 0.00 175.10 177.00 2q3r s LEU 29 N -0.21 3.82 0.69 3.92 2.96 -1.16 -1.20 118.68 127.50 2q3r s LEU 29 Ca 0.04 1.27 -0.14 0.00 -0.22 0.00 0.00 54.13 55.08 2q3r s LEU 29 Cb -0.13 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.04 2q3r s LEU 29 CO 0.02 -1.22 1.13 0.00 -1.32 0.00 0.00 176.35 174.96 2q3r s ALA 30 N 4.91 2.36 0.10 5.97 0.00 -0.92 -2.23 121.76 131.96 2q3r s ALA 30 Ca 0.63 0.58 -0.31 0.00 0.00 0.00 0.00 51.96 52.86 2q3r s ALA 30 Cb -0.19 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.49 2q3r s ALA 30 CO 0.27 -1.47 1.81 -1.25 0.00 0.00 0.00 175.76 175.12 2q3r s PRO 31 N -4.16 4.15 -0.35 0.00 0.04 -1.26 -4.75 135.00 128.67 2q3r s PRO 31 Ca 0.68 2.55 0.00 0.00 0.04 0.00 0.00 61.00 64.27 2q3r s PRO 31 Cb -0.22 -3.66 0.11 0.00 0.04 0.00 0.00 34.50 30.78 2q3r s PRO 31 CO 0.44 -0.84 0.14 -0.51 0.04 0.00 0.00 177.00 176.28 2q3r s LEU 32 N 2.92 2.45 -0.14 -3.56 1.43 -1.26 -4.88 118.68 115.64 2q3r s LEU 32 Ca 0.80 -1.99 -0.29 0.00 -1.03 0.00 0.00 54.13 51.62 2q3r s LEU 32 Cb -0.45 -0.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.79 2q3r s LEU 32 CO 0.36 -0.36 1.86 -0.89 0.23 0.00 0.00 176.35 177.55 2q3r s THR 33 N 1.17 3.34 -1.15 5.49 2.01 -1.26 -4.12 115.64 121.12 2q3r s THR 33 Ca 0.13 0.38 0.10 0.00 0.31 0.00 0.00 61.69 62.61 2q3r s THR 33 Cb -0.20 -3.33 0.15 0.00 0.01 0.00 0.00 72.50 69.13 2q3r s THR 33 CO -0.15 -0.13 0.97 0.54 -0.69 0.00 0.00 174.62 175.16 2q3r n ARG 34 N 7.86 1.31 -3.85 4.92 5.12 -1.26 -4.88 116.66 125.87 2q3r n ARG 34 Ca 0.22 -1.44 -0.29 0.00 -1.93 0.00 0.00 57.85 54.41 2q3r n ARG 34 Cb 0.44 -1.22 -0.05 0.00 -1.16 0.00 0.00 32.46 30.47 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 0.54 -1.72 -0.29 5.56 6.02 -1.26 -4.76 117.38 121.47 2q3r n GLN 35 Ca 0.08 0.14 0.08 0.00 -0.01 0.00 0.00 57.00 57.29 2q3r n GLN 35 Cb 0.31 -4.72 0.20 0.00 1.02 0.00 0.00 30.24 27.05 2q3r n GLN 35 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2q3r n ARG 36 N -3.61 2.03 -3.20 -1.09 1.74 -0.91 -4.56 116.66 107.06 2q3r n ARG 36 Ca 0.07 -2.76 -0.43 0.00 -0.77 0.00 0.00 57.85 53.96 2q3r n ARG 36 Cb 0.47 -1.67 -0.00 0.00 -1.02 0.00 0.00 32.46 30.24 2q3r n ARG 36 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2q3r n SER 37 N -1.01 5.85 -4.33 0.55 7.64 0.25 -4.49 113.62 118.07 2q3r n SER 37 Ca 0.19 -3.24 -0.60 0.00 1.01 0.00 0.00 58.87 56.24 2q3r n SER 37 Cb 0.77 -1.29 -0.09 0.00 -1.01 0.00 0.00 64.21 62.60 2q3r n SER 37 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2q3r n TYR 38 N 1.95 1.29 -1.17 1.43 0.53 -1.19 0.41 117.16 120.41 2q3r n TYR 38 Ca 0.25 1.04 -0.06 0.00 -1.02 0.00 0.00 57.90 58.11 2q3r n TYR 38 Cb 0.36 -2.03 -0.03 0.00 -1.03 0.00 0.00 39.34 36.62 2q3r n TYR 38 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2q3r n GLY 39 N 2.94 0.74 1.70 2.72 0.00 -1.26 -1.48 105.19 110.55 2q3r n GLY 39 Ca 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.39 -2.55 -4.57 1.61 5.03 0.17 -4.99 115.26 109.57 2q3r n ASN 40 Ca -0.06 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.03 2q3r n ASN 40 Cb 0.37 -0.43 -0.11 0.00 -1.02 0.00 0.00 39.78 38.59 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 -2.00 4.74 0.51 2.41 1.01 -0.55 -1.90 120.40 124.62 2q3r s VAL 41 Ca 0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 61.98 61.73 2q3r s VAL 41 Cb 0.00 -3.18 -0.08 0.00 0.00 0.00 0.00 36.38 33.11 2q3r s VAL 41 CO 0.00 0.39 0.92 -2.65 0.00 0.00 0.00 175.10 173.76 2q3r n PRO 42 N 4.22 1.07 -4.38 2.72 -0.02 -1.26 -3.16 135.00 134.18 2q3r n PRO 42 Ca -0.16 0.40 -0.26 0.00 -2.02 0.00 0.00 63.50 61.46 2q3r n PRO 42 Cb 0.52 -2.04 -0.10 0.00 -0.02 0.00 0.00 33.50 31.86 2q3r n PRO 42 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2q3r s GLN 43 N -2.28 1.78 0.54 -0.52 -1.52 -1.26 -4.89 119.66 111.50 2q3r s GLN 43 Ca 0.68 -1.50 0.29 0.00 -1.95 0.00 0.00 55.36 52.89 2q3r s GLN 43 Cb -0.49 -1.95 1.45 0.00 -0.22 0.00 0.00 33.01 31.80 2q3r s GLN 43 CO 0.53 0.39 1.93 -1.35 -0.25 0.00 0.00 175.29 176.55 2q3r h PRO 44 N 2.80 0.00 0.00 2.91 0.11 -1.94 0.22 132.00 136.10 2q3r h PRO 44 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 2q3r h PRO 44 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2q3r h PRO 44 CO 0.53 0.00 -0.06 1.12 -0.21 0.00 0.00 178.00 179.38 2q3r h HIS 45 N 0.00 0.00 -0.21 0.65 2.07 -1.95 -2.00 115.15 113.70 2q3r h HIS 45 Ca 0.35 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.73 2q3r h HIS 45 Cb 1.41 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.38 2q3r h HIS 45 CO 0.00 0.06 -0.46 0.00 -3.07 0.00 0.00 177.93 174.46 2q3r h ALA 46 N 1.94 0.80 -0.51 6.11 0.00 -0.93 -1.31 119.26 125.36 2q3r h ALA 46 Ca -0.00 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.46 2q3r h ALA 46 Cb 0.34 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2q3r h ALA 46 CO 0.01 0.66 0.34 0.00 0.00 0.00 0.00 179.25 180.26 2q3r h ALA 47 N 1.06 1.72 0.05 0.00 0.00 -1.43 -0.15 119.26 120.51 2q3r h ALA 47 Ca 0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2q3r h ALA 47 Cb 0.98 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2q3r h ALA 47 CO 0.09 0.23 -0.02 0.82 0.00 0.00 0.00 179.25 180.36 2q3r h ILE 48 N 0.61 1.19 -0.47 0.00 1.08 -1.51 -2.89 117.51 115.52 2q3r h ILE 48 Ca 0.20 -1.63 0.08 0.00 -0.39 0.00 0.00 64.86 63.12 2q3r h ILE 48 Cb 0.05 2.14 -0.10 0.00 -3.07 0.00 0.00 36.82 35.84 2q3r h ILE 48 CO -0.05 0.36 -0.39 0.22 -0.69 0.00 0.00 178.15 177.60 2q3r h TYR 49 N -0.90 -1.11 -0.03 1.37 3.20 -0.85 0.22 116.97 118.88 2q3r h TYR 49 Ca -0.01 0.07 -0.14 0.00 3.14 0.00 0.00 58.73 61.79 2q3r h TYR 49 Cb 0.64 0.55 -0.02 0.00 1.54 0.00 0.00 36.73 39.45 2q3r h TYR 49 CO 0.16 -0.41 -0.62 1.88 -1.64 0.00 0.00 178.16 177.52 2q3r h TYR 50 N -0.26 0.14 -0.70 -3.82 0.05 -1.19 -3.07 116.97 108.12 2q3r h TYR 50 Ca 0.17 -0.05 -0.07 0.00 0.05 0.00 0.00 58.73 58.82 2q3r h TYR 50 Cb 0.56 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.25 2q3r h TYR 50 CO -0.62 0.70 0.14 1.03 -1.05 0.00 0.00 178.16 178.36 2q3r h SER 51 N 0.08 1.08 0.28 3.88 0.87 -1.10 -1.53 113.55 117.10 2q3r h SER 51 Ca -0.01 -0.24 -0.05 0.00 -1.23 0.00 0.00 61.79 60.26 2q3r h SER 51 Cb 1.12 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 2q3r h SER 51 CO 0.09 1.04 -0.26 1.56 -0.53 0.00 0.00 176.83 178.73 2q3r h GLN 52 N 1.06 0.00 -0.02 2.24 4.20 -0.51 -2.82 115.11 119.27 2q3r h GLN 52 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2q3r h GLN 52 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2q3r h GLN 52 CO 0.01 0.26 -0.20 0.54 -0.67 0.00 0.00 178.83 178.77 2q3r n ARG 53 N -4.18 1.51 -2.75 1.46 1.74 -0.95 -4.48 116.66 109.02 2q3r n ARG 53 Ca -0.02 -1.11 -0.41 0.00 -0.77 0.00 0.00 57.85 55.53 2q3r n ARG 53 Cb 0.31 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.24 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 -2.25 4.73 0.08 0.55 2.01 -0.62 -4.96 115.64 115.18 2q3r s THR 54 Ca 0.27 2.02 0.06 0.00 0.31 0.00 0.00 61.69 64.34 2q3r s THR 54 Cb 0.19 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 2q3r s THR 54 CO 0.44 0.23 -0.06 0.42 -0.69 0.00 0.00 174.62 174.96 2q3r s THR 55 N 0.56 3.62 -0.70 -0.82 -4.23 -1.26 -4.98 115.64 107.82 2q3r s THR 55 Ca 0.49 -1.10 -0.14 0.00 -1.18 0.00 0.00 61.69 59.76 2q3r s THR 55 Cb -0.22 -2.68 -0.19 0.00 1.34 0.00 0.00 72.50 70.75 2q3r s THR 55 CO 0.28 0.16 1.90 -2.65 -0.54 0.00 0.00 174.62 173.77 2q3r n PRO 56 N 0.80 0.14 -0.11 3.99 -0.02 -1.18 0.53 135.00 139.16 2q3r n PRO 56 Ca -0.13 -0.52 0.00 0.00 -2.02 0.00 0.00 63.50 60.83 2q3r n PRO 56 Cb 0.52 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 5.65 1.05 3.89 -1.23 0.00 -0.27 -4.76 105.19 109.53 2q3r n GLY 57 Ca 0.40 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.10 2.01 -0.15 -0.02 0.00 0.19 -1.12 107.32 106.13 2q3r s GLY 58 Ca 0.00 -0.36 -0.18 0.00 0.00 0.00 0.00 44.72 44.18 2q3r s GLY 58 CO 0.00 -0.22 0.48 -0.12 0.00 0.00 0.00 173.10 173.24 2q3r s PHE 59 N -2.09 3.46 -0.03 1.90 5.99 -1.26 -0.63 117.98 125.32 2q3r s PHE 59 Ca 0.47 0.83 0.07 0.00 0.00 0.00 0.00 56.93 58.30 2q3r s PHE 59 Cb -0.11 -2.58 -0.01 0.00 0.00 0.00 0.00 43.02 40.32 2q3r s PHE 59 CO 0.27 0.08 -0.24 -0.51 -0.00 0.00 0.00 175.22 174.83 2q3r s LEU 60 N 0.96 2.04 -0.15 6.12 1.02 0.46 -2.97 118.68 126.16 2q3r s LEU 60 Ca 0.25 -0.45 0.00 0.00 0.02 0.00 0.00 54.13 53.95 2q3r s LEU 60 Cb -0.15 -1.26 -0.00 0.00 0.02 0.00 0.00 46.19 44.80 2q3r s LEU 60 CO 0.10 0.27 -0.16 -0.63 0.02 0.00 0.00 176.35 175.95 2q3r s ILE 61 N -0.38 2.61 0.83 -0.59 1.01 -0.94 -1.59 121.20 122.13 2q3r s ILE 61 Ca 0.04 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.79 2q3r s ILE 61 Cb -0.11 -2.10 0.09 0.00 0.01 0.00 0.00 42.46 40.35 2q3r s ILE 61 CO 0.01 0.52 1.09 0.42 0.00 0.00 0.00 174.94 176.98 2q3r s THR 62 N 0.83 2.99 0.91 2.92 -4.23 -0.61 -4.08 115.64 114.37 2q3r s THR 62 Ca -0.05 0.32 -0.11 0.00 -1.18 0.00 0.00 61.69 60.67 2q3r s THR 62 Cb -0.15 -2.91 0.13 0.00 1.34 0.00 0.00 72.50 70.90 2q3r s THR 62 CO -0.01 -0.42 1.10 -1.84 -0.54 0.00 0.00 174.62 172.91 2q3r n GLU 63 N -3.62 -0.36 -1.74 3.99 0.28 -1.26 -4.12 120.64 113.81 2q3r n GLU 63 Ca 0.07 -0.04 -0.42 0.00 -0.16 0.00 0.00 57.16 56.62 2q3r n GLU 63 Cb 0.55 -2.35 -0.01 0.00 1.43 0.00 0.00 31.44 31.07 2q3r n GLU 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2q3r n ALA 64 N -4.07 1.92 -3.12 -1.84 0.00 -1.26 -4.33 120.51 107.80 2q3r n ALA 64 Ca 0.12 0.36 -0.28 0.00 0.00 0.00 0.00 53.44 53.63 2q3r n ALA 64 Cb 0.52 -2.35 -0.17 0.00 0.00 0.00 0.00 19.45 17.45 2q3r n ALA 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2q3r s THR 65 N -0.89 1.66 0.39 0.00 2.01 0.12 -4.49 115.64 114.43 2q3r s THR 65 Ca 0.56 -0.81 -0.27 0.00 0.31 0.00 0.00 61.69 61.48 2q3r s THR 65 Cb -0.52 -1.44 -0.09 0.00 0.01 0.00 0.00 72.50 70.45 2q3r s THR 65 CO 0.60 0.47 1.36 -0.83 -0.69 0.00 0.00 174.62 175.53 2q3r s GLY 66 N 0.26 2.95 0.00 4.40 0.00 -0.82 -0.74 107.32 113.38 2q3r s GLY 66 Ca -0.12 1.34 0.23 0.00 0.00 0.00 0.00 44.72 46.18 2q3r s GLY 66 CO 0.05 1.96 1.15 3.33 0.00 0.00 0.00 173.10 179.60 2q3r n VAL 67 N 0.31 0.00 -3.78 1.40 0.24 -0.74 -2.48 118.33 113.28 2q3r n VAL 67 Ca 0.02 -0.06 -0.00 0.00 -2.04 0.00 0.00 64.34 62.26 2q3r n VAL 67 Cb 0.42 0.76 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 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 -2.85 -0.05 0.00 -1.34 1.04 -1.26 -4.11 113.70 105.12 2q3r s SER 68 Ca 0.13 -0.33 0.07 0.00 0.48 0.00 0.00 55.95 56.30 2q3r s SER 68 Cb 0.17 0.30 0.33 0.00 0.10 0.00 0.00 66.02 66.93 2q3r s SER 68 CO 0.73 -0.58 1.19 -0.90 0.98 0.00 0.00 173.24 174.66 2q3r n ASP 69 N -0.77 0.00 -0.44 7.02 5.75 -1.26 -1.78 116.55 125.07 2q3r n ASP 69 Ca -0.04 0.39 0.04 0.00 -0.01 0.00 0.00 54.79 55.17 2q3r n ASP 69 Cb 0.61 -0.43 0.09 0.00 -1.03 0.00 0.00 41.12 40.36 2q3r n ASP 69 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2q3r n THR 70 N -1.43 0.61 0.53 2.12 -2.24 -1.26 -4.25 114.28 108.36 2q3r n THR 70 Ca 0.02 -0.80 0.05 0.00 -2.27 0.00 0.00 64.05 61.05 2q3r n THR 70 Cb 0.08 0.77 0.18 0.00 -2.10 0.00 0.00 70.33 69.25 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 0.36 2.75 -2.54 6.98 0.00 -0.74 -4.72 120.51 122.61 2q3r n ALA 71 Ca 0.07 -0.76 -0.33 0.00 0.00 0.00 0.00 53.44 52.43 2q3r n ALA 71 Cb 0.32 -1.01 -0.12 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.66 2.62 0.00 0.00 1.11 -1.26 -2.15 119.66 118.31 2q3r s GLN 72 Ca 0.25 -0.63 0.00 0.00 0.01 0.00 0.00 55.36 54.99 2q3r s GLN 72 Cb 0.16 -2.49 0.00 0.00 -1.01 0.00 0.00 33.01 29.67 2q3r s GLN 72 CO 0.13 0.64 0.10 0.41 0.01 0.00 0.00 175.29 176.58 2q3r n GLY 73 N 2.16 0.49 3.09 3.09 0.00 -1.26 -4.65 105.19 108.12 2q3r n GLY 73 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.16 0.95 0.39 1.61 2.02 -1.26 -4.73 117.35 116.16 2q3r s TYR 74 Ca 0.00 -0.33 -0.23 0.00 -0.37 0.00 0.00 57.07 56.13 2q3r s TYR 74 Cb 0.00 -0.57 -0.10 0.00 -0.40 0.00 0.00 41.96 40.89 2q3r s TYR 74 CO 0.00 -0.00 0.96 1.14 -1.57 0.00 0.00 175.55 176.07 2q3r s GLN 75 N -1.03 4.35 -0.11 -0.62 -2.07 -1.26 -3.90 119.66 115.02 2q3r s GLN 75 Ca -0.01 1.24 0.00 0.00 -1.82 0.00 0.00 55.36 54.77 2q3r s GLN 75 Cb -0.07 -2.44 0.00 0.00 -1.09 0.00 0.00 33.01 29.41 2q3r s GLN 75 CO 0.01 0.07 0.00 -0.25 -1.32 0.00 0.00 175.29 173.79 2q3r n ASP 76 N -0.15 -4.58 -4.79 12.60 8.00 -1.26 -4.68 116.55 121.70 2q3r n ASP 76 Ca 0.05 0.02 -0.39 0.00 0.71 0.00 0.00 54.79 55.19 2q3r n ASP 76 Cb 0.52 -2.17 -0.06 0.00 -0.02 0.00 0.00 41.12 39.39 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 -1.55 4.87 0.86 -3.53 -4.23 -1.25 0.88 115.64 111.69 2q3r s THR 77 Ca 0.00 1.17 -0.11 0.00 -1.18 0.00 0.00 61.69 61.58 2q3r s THR 77 Cb 0.00 -3.89 0.11 0.00 1.34 0.00 0.00 72.50 70.06 2q3r s THR 77 CO 0.00 0.48 1.11 -2.16 -0.54 0.00 0.00 174.62 173.51 2q3r s PRO 78 N -0.58 1.52 0.40 3.99 0.04 -1.26 -4.24 135.00 134.87 2q3r s PRO 78 Ca 0.29 1.21 0.04 0.00 0.04 0.00 0.00 61.00 62.58 2q3r s PRO 78 Cb -0.18 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 2q3r s PRO 78 CO 0.17 -2.17 0.11 0.20 0.04 0.00 0.00 177.00 175.35 2q3r s GLY 79 N -3.13 2.51 -0.35 0.56 0.00 -0.80 -1.94 107.32 104.18 2q3r s GLY 79 Ca 0.64 -1.36 0.14 0.00 0.00 0.00 0.00 44.72 44.14 2q3r s GLY 79 CO 0.57 -1.85 1.30 4.51 0.00 0.00 0.00 173.10 177.63 2q3r n ILE 80 N -0.88 0.37 0.68 0.90 3.06 -1.03 -4.72 119.36 117.74 2q3r n ILE 80 Ca -0.06 -1.87 0.08 0.00 -2.50 0.00 0.00 62.75 58.40 2q3r n ILE 80 Cb 0.65 0.98 0.04 0.00 0.54 0.00 0.00 39.64 41.85 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 -0.76 0.00 -4.42 9.51 2.14 -1.26 -4.00 117.44 118.66 2q3r n TRP 81 Ca -0.03 0.00 -0.27 0.00 2.07 0.00 0.00 57.50 59.27 2q3r n TRP 81 Cb 0.85 0.00 -0.12 0.00 -0.81 0.00 0.00 31.31 31.23 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 -1.58 2.38 0.44 -1.67 -4.23 -1.26 -4.88 115.64 104.84 2q3r s THR 82 Ca 0.16 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.81 2q3r s THR 82 Cb 0.13 -2.14 0.32 0.00 1.34 0.00 0.00 72.50 72.16 2q3r s THR 82 CO 0.29 -0.10 1.99 0.11 -0.54 0.00 0.00 174.62 176.37 2q3r h LYS 83 N 3.23 0.37 -0.05 3.99 1.57 -2.00 -0.66 116.57 123.03 2q3r h LYS 83 Ca -0.47 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.31 2q3r h LYS 83 Cb 1.21 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 2q3r h LYS 83 CO 0.48 0.25 -0.09 1.49 -0.57 0.00 0.00 179.45 181.00 2q3r h GLU 84 N 0.39 -0.13 -0.38 3.15 4.81 -2.00 -1.46 114.58 118.96 2q3r h GLU 84 Ca 0.25 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.56 2q3r h GLU 84 Cb 0.49 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.84 2q3r h GLU 84 CO -0.07 -0.08 -0.02 0.45 -0.73 0.00 0.00 179.01 178.56 2q3r h HIS 85 N -0.13 -0.05 -0.60 0.92 3.86 -1.47 -1.52 115.15 116.16 2q3r h HIS 85 Ca 0.05 0.03 0.12 0.00 -1.16 0.00 0.00 60.37 59.41 2q3r h HIS 85 Cb 0.20 0.08 -0.10 0.00 1.06 0.00 0.00 27.41 28.66 2q3r h HIS 85 CO -0.18 -0.09 0.02 0.28 0.86 0.00 0.00 177.93 178.82 2q3r h VAL 86 N 0.08 0.53 -0.36 2.45 2.07 -0.78 -1.47 116.25 118.77 2q3r h VAL 86 Ca 0.18 -0.05 -0.10 0.00 0.82 0.00 0.00 66.70 67.56 2q3r h VAL 86 Cb 0.26 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2q3r h VAL 86 CO -0.32 0.03 -0.18 -0.33 0.02 0.00 0.00 177.57 176.78 2q3r h GLU 87 N 0.14 0.68 0.00 1.57 4.39 -0.31 -2.29 114.58 118.76 2q3r h GLU 87 Ca 0.31 -0.24 -0.11 0.00 0.34 0.00 0.00 59.36 59.65 2q3r h GLU 87 Cb 0.49 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 2q3r h GLU 87 CO -0.49 0.82 -0.54 0.00 -1.16 0.00 0.00 179.01 177.64 2q3r h ALA 88 N 1.20 0.95 0.09 3.43 0.00 -0.78 -3.21 119.26 120.94 2q3r h ALA 88 Ca 0.09 -0.49 -0.27 0.00 0.00 0.00 0.00 54.91 54.24 2q3r h ALA 88 Cb 0.65 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.36 2q3r h ALA 88 CO 0.05 0.68 -1.17 -1.49 0.00 0.00 0.00 179.25 177.32 2q3r h TRP 89 N 0.00 0.78 -0.96 0.00 4.06 -1.10 -3.37 115.95 115.36 2q3r h TRP 89 Ca -0.01 -0.49 0.13 0.00 2.06 0.00 0.00 58.89 60.58 2q3r h TRP 89 Cb 1.06 -0.06 -0.14 0.00 -1.00 0.00 0.00 29.16 29.01 2q3r h TRP 89 CO 0.00 1.34 -0.46 0.87 -3.56 0.00 0.00 178.44 176.64 2q3r h LYS 90 N 0.21 -0.02 0.00 0.49 1.57 -1.41 0.46 116.57 117.87 2q3r h LYS 90 Ca -0.15 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 2q3r h LYS 90 Cb 1.84 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.16 2q3r h LYS 90 CO 0.21 -0.01 -0.06 -1.00 -0.57 0.00 0.00 179.45 178.02 2q3r h PRO 91 N -0.02 0.00 -0.13 3.15 0.13 -1.73 -0.18 132.00 133.21 2q3r h PRO 91 Ca 0.27 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.35 2q3r h PRO 91 Cb 0.53 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 2q3r h PRO 91 CO -0.95 0.06 -0.10 0.82 -0.23 0.00 0.00 178.00 177.60 2q3r h ILE 92 N 0.00 1.34 -0.57 -3.56 2.04 -0.31 -2.25 117.51 114.19 2q3r h ILE 92 Ca -0.00 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.63 2q3r h ILE 92 Cb 0.17 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 2q3r h ILE 92 CO 0.01 0.35 0.28 0.58 0.00 0.00 0.00 178.15 179.37 2q3r h VAL 93 N -0.07 1.21 -0.81 1.67 2.07 -0.69 -2.50 116.25 117.13 2q3r h VAL 93 Ca 0.02 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 2q3r h VAL 93 Cb 0.60 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2q3r h VAL 93 CO 0.03 0.23 0.45 0.44 0.02 0.00 0.00 177.57 178.74 2q3r h ASP 94 N 0.78 1.00 -0.46 0.57 3.32 -1.01 -0.90 116.42 119.72 2q3r h ASP 94 Ca 0.20 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2q3r h ASP 94 Cb 0.11 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2q3r h ASP 94 CO -0.03 0.80 0.23 0.00 -1.72 0.00 0.00 179.24 178.52 2q3r h ALA 95 N 1.36 0.59 0.25 3.45 0.00 -1.14 0.10 119.26 123.88 2q3r h ALA 95 Ca 0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2q3r h ALA 95 Cb 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2q3r h ALA 95 CO -0.05 0.14 -0.12 0.28 0.00 0.00 0.00 179.25 179.50 2q3r h VAL 96 N 0.60 0.79 -0.23 0.00 2.07 -1.01 -1.90 116.25 116.56 2q3r h VAL 96 Ca 0.16 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.55 2q3r h VAL 96 Cb 0.10 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2q3r h VAL 96 CO -0.02 0.04 0.18 0.45 0.02 0.00 0.00 177.57 178.24 2q3r h HIS 97 N -0.43 0.00 -0.53 1.57 -0.00 -1.05 -0.55 115.15 114.17 2q3r h HIS 97 Ca -0.03 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.40 2q3r h HIS 97 Cb 0.33 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.71 2q3r h HIS 97 CO -0.03 0.00 0.35 0.00 -0.00 0.00 0.00 177.93 178.25 2q3r h ALA 98 N 1.85 1.88 -0.58 2.45 0.00 0.05 -0.02 119.26 124.89 2q3r h ALA 98 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2q3r h ALA 98 Cb 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2q3r h ALA 98 CO -0.00 0.03 0.00 1.63 0.00 0.00 0.00 179.25 180.91 2q3r n LYS 99 N -4.47 4.09 -1.06 0.00 5.02 -0.23 -4.96 118.16 116.54 2q3r n LYS 99 Ca 0.07 -2.97 -0.02 0.00 -2.02 0.00 0.00 58.31 53.37 2q3r n LYS 99 Cb 0.24 -2.01 -0.01 0.00 -0.02 0.00 0.00 35.03 33.23 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 0.79 0.54 3.81 0.72 0.00 -0.02 -3.08 105.19 107.95 2q3r n GLY 100 Ca 0.26 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.40 1.99 -0.25 -0.02 0.00 -1.08 -1.11 107.32 104.45 2q3r s GLY 101 Ca 0.00 0.29 -0.10 0.00 0.00 0.00 0.00 44.72 44.91 2q3r s GLY 101 CO 0.00 0.60 0.14 -0.42 0.00 0.00 0.00 173.10 173.42 2q3r s ILE 102 N -2.64 5.02 -0.18 0.90 1.09 0.20 -4.44 121.20 121.15 2q3r s ILE 102 Ca 0.62 0.06 0.01 0.00 -1.10 0.00 0.00 60.65 60.24 2q3r s ILE 102 Cb -0.15 -3.35 0.02 0.00 -1.06 0.00 0.00 42.46 37.92 2q3r s ILE 102 CO 0.42 0.32 -0.18 0.12 -0.10 0.00 0.00 174.94 175.52 2q3r s PHE 103 N 1.39 2.66 -0.03 3.97 5.36 -1.26 -0.41 117.98 129.66 2q3r s PHE 103 Ca 0.06 -1.60 0.04 0.00 -0.96 0.00 0.00 56.93 54.48 2q3r s PHE 103 Cb -0.15 -1.83 -0.03 0.00 -0.34 0.00 0.00 43.02 40.67 2q3r s PHE 103 CO 0.06 -0.78 -0.14 -0.06 -1.46 0.00 0.00 175.22 172.84 2q3r s PHE 104 N 1.33 2.69 -0.31 10.12 0.40 -0.62 -0.86 117.98 130.72 2q3r s PHE 104 Ca 0.04 -0.17 -0.17 0.00 -0.60 0.00 0.00 56.93 56.03 2q3r s PHE 104 Cb -0.14 -1.60 -0.02 0.00 0.51 0.00 0.00 43.02 41.78 2q3r s PHE 104 CO -0.12 0.21 0.47 0.00 0.70 0.00 0.00 175.22 176.48 2q3r s GLN 106 N 2.28 4.12 -0.15 0.00 0.74 -1.26 -2.94 119.66 122.45 2q3r s GLN 106 Ca 0.18 1.15 -0.06 0.00 0.05 0.00 0.00 55.36 56.67 2q3r s GLN 106 Cb -0.16 -3.71 -0.04 0.00 1.10 0.00 0.00 33.01 30.21 2q3r s GLN 106 CO 0.11 -0.82 0.07 0.96 -0.55 0.00 0.00 175.29 175.06 2q3r s ILE 107 N 3.51 4.87 0.32 -2.34 -4.36 -1.16 0.10 121.20 122.16 2q3r s ILE 107 Ca 0.45 -0.02 0.05 0.00 -0.26 0.00 0.00 60.65 60.87 2q3r s ILE 107 Cb -0.13 -3.15 -0.03 0.00 1.25 0.00 0.00 42.46 40.40 2q3r s ILE 107 CO 0.13 0.53 0.30 -1.66 0.24 0.00 0.00 174.94 174.47 2q3r s TRP 108 N -0.21 1.60 -0.15 1.37 1.48 0.09 -3.08 118.94 120.04 2q3r s TRP 108 Ca 0.08 -1.58 -0.05 0.00 -1.06 0.00 0.00 56.10 53.48 2q3r s TRP 108 Cb -0.12 -0.60 0.07 0.00 -1.16 0.00 0.00 33.47 31.66 2q3r s TRP 108 CO 0.01 -0.89 0.31 -1.58 -4.06 0.00 0.00 176.95 170.74 2q3r s HIS 109 N -3.45 -0.53 -1.04 1.66 2.46 -1.26 -1.79 115.29 111.34 2q3r s HIS 109 Ca 0.39 1.09 0.06 0.00 0.47 0.00 0.00 55.06 57.08 2q3r s HIS 109 Cb 0.02 0.05 0.27 0.00 -0.13 0.00 0.00 32.58 32.79 2q3r s HIS 109 CO 0.25 -0.41 1.18 1.33 -2.47 0.00 0.00 174.74 174.63 2q3r n VAL 110 N 5.36 1.52 -2.10 0.89 0.24 -0.92 -0.81 118.33 122.52 2q3r n VAL 110 Ca -0.07 0.38 0.00 0.00 -2.04 0.00 0.00 64.34 62.61 2q3r n VAL 110 Cb 0.50 -1.28 0.00 0.00 -1.47 0.00 0.00 33.84 31.59 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 -0.86 2.94 0.00 7.63 0.00 -1.26 -0.92 105.19 112.72 2q3r n GLY 111 Ca 0.02 -0.22 0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 0.11 -2.81 1.61 1.85 -1.24 -4.19 116.66 125.99 2q3r n ARG 112 Ca 0.00 0.21 -0.44 0.00 -1.00 0.00 0.00 57.85 56.62 2q3r n ARG 112 Cb 0.00 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 29.91 2q3r n ARG 112 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2q3r n VAL 113 N -1.38 4.19 -3.03 8.89 0.31 -0.10 -4.79 118.33 122.43 2q3r n VAL 113 Ca 0.05 -4.55 0.00 0.00 -0.01 0.00 0.00 64.34 59.83 2q3r n VAL 113 Cb 0.13 -2.44 0.00 0.00 -0.91 0.00 0.00 33.84 30.62 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 6.07 0.00 -3.92 4.52 2.88 -1.26 -4.25 113.62 117.66 2q3r n SER 114 Ca 0.40 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.85 2q3r n SER 114 Cb 0.43 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.84 2q3r n SER 114 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2q3r s ASN 115 N -4.00 -0.10 0.52 -3.46 6.03 -1.26 -3.67 114.94 109.00 2q3r s ASN 115 Ca 0.00 -0.88 0.21 0.00 -1.03 0.00 0.00 52.86 51.16 2q3r s ASN 115 Cb 0.00 0.63 1.33 0.00 -3.03 0.00 0.00 41.25 40.18 2q3r s ASN 115 CO 0.00 -1.21 2.05 0.77 -2.03 0.00 0.00 177.10 176.69 2q3r h SER 116 N 2.19 0.02 0.18 3.54 4.64 -1.84 0.03 113.55 122.32 2q3r h SER 116 Ca -0.25 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.05 2q3r h SER 116 Cb 1.25 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2q3r h SER 116 CO 0.33 0.01 -0.10 1.23 -0.87 0.00 0.00 176.83 177.43 2q3r h GLY 117 N 0.03 0.00 -1.74 -0.77 0.00 -1.91 -1.76 103.07 96.91 2q3r h GLY 117 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2q3r h GLY 117 CO -0.01 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.22 2q3r n PHE 118 N -4.01 0.01 -3.94 5.60 3.72 -0.05 -4.99 117.46 113.80 2q3r n PHE 118 Ca -0.02 -0.01 -0.30 0.00 -0.05 0.00 0.00 57.45 57.07 2q3r n PHE 118 Cb 0.19 -0.00 -0.04 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 -1.78 3.36 0.57 -1.08 -1.52 -0.66 -4.69 119.66 113.85 2q3r s GLN 119 Ca 0.25 -0.51 -0.20 0.00 -1.95 0.00 0.00 55.36 52.96 2q3r s GLN 119 Cb 0.18 -2.98 -0.04 0.00 -0.22 0.00 0.00 33.01 29.95 2q3r s GLN 119 CO 0.27 0.58 1.23 -2.14 -0.25 0.00 0.00 175.29 174.99 2q3r s PRO 120 N -2.64 3.06 -0.36 2.91 0.02 -1.26 -1.79 135.00 134.93 2q3r s PRO 120 Ca 0.34 1.90 0.00 0.00 0.02 0.00 0.00 61.00 63.26 2q3r s PRO 120 Cb -0.12 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.37 2q3r s PRO 120 CO 0.27 -1.15 0.00 0.09 -0.33 0.00 0.00 177.00 175.88 2q3r n ASN 121 N -1.40 -1.31 -2.25 2.53 3.02 -1.26 -0.15 115.26 114.44 2q3r n ASN 121 Ca 0.13 0.21 -0.14 0.00 -0.03 0.00 0.00 54.58 54.74 2q3r n ASN 121 Cb 0.49 -1.42 -0.02 0.00 -0.61 0.00 0.00 39.78 38.21 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 -0.27 -0.16 3.76 7.41 0.00 -0.74 -4.91 105.19 110.29 2q3r n GLY 122 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 2q3r n GLY 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q3r s LYS 123 N -4.70 3.48 0.53 1.61 1.02 0.79 -4.70 119.74 117.76 2q3r s LYS 123 Ca 0.00 1.90 -0.22 0.00 0.02 0.00 0.00 55.97 57.67 2q3r s LYS 123 Cb 0.00 -2.29 -0.06 0.00 -0.52 0.00 0.00 37.83 34.96 2q3r s LYS 123 CO 0.00 -0.82 1.25 0.00 -0.92 0.00 0.00 175.35 174.87 2q3r n ALA 124 N -0.81 1.20 -1.78 5.17 0.00 -1.26 -4.42 120.51 118.61 2q3r n ALA 124 Ca 0.09 0.13 -0.41 0.00 0.00 0.00 0.00 53.44 53.25 2q3r n ALA 124 Cb 0.48 -2.28 0.01 0.00 0.00 0.00 0.00 19.45 17.65 2q3r n ALA 124 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2q3r n PRO 125 N -0.81 2.58 -3.24 0.00 -0.02 -1.26 -4.39 135.00 127.87 2q3r n PRO 125 Ca 0.10 0.91 -0.40 0.00 -2.02 0.00 0.00 63.50 62.09 2q3r n PRO 125 Cb 0.44 -2.68 -0.08 0.00 -0.02 0.00 0.00 33.50 31.17 2q3r n PRO 125 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2q3r s ILE 126 N -1.14 5.05 0.27 4.25 -4.36 -1.26 0.64 121.20 124.65 2q3r s ILE 126 Ca 0.55 0.75 0.02 0.00 -0.26 0.00 0.00 60.65 61.71 2q3r s ILE 126 Cb -0.46 -3.86 -0.05 0.00 1.25 0.00 0.00 42.46 39.33 2q3r s ILE 126 CO 0.62 0.01 0.08 -0.55 0.24 0.00 0.00 174.94 175.34 2q3r s SER 127 N 1.61 1.46 0.47 4.36 0.15 -1.19 -3.64 113.70 116.92 2q3r s SER 127 Ca 0.21 -1.37 0.32 0.00 0.70 0.00 0.00 55.95 55.80 2q3r s SER 127 Cb -0.16 0.10 1.61 0.00 -1.71 0.00 0.00 66.02 65.87 2q3r s SER 127 CO 0.10 -0.70 1.96 0.00 1.20 0.00 0.00 173.24 175.81 2q3r n SER 129 N -2.66 -0.25 -0.72 0.00 3.41 -1.26 -4.50 113.62 107.64 2q3r n SER 129 Ca -0.01 -1.78 0.07 0.00 -0.26 0.00 0.00 58.87 56.89 2q3r n SER 129 Cb 0.12 0.59 0.15 0.00 -0.26 0.00 0.00 64.21 64.82 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 -2.53 2.88 -4.64 4.04 5.75 -1.26 -3.69 116.55 117.10 2q3r n ASP 130 Ca 0.03 -1.89 -0.42 0.00 -0.01 0.00 0.00 54.79 52.49 2q3r n ASP 130 Cb 0.21 -0.21 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 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 0.75 2.61 -1.98 0.11 5.02 -1.26 -4.13 118.16 119.27 2q3r n LYS 131 Ca 0.13 0.90 -0.38 0.00 -2.02 0.00 0.00 58.31 56.94 2q3r n LYS 131 Cb 0.43 -3.08 0.02 0.00 -0.02 0.00 0.00 35.03 32.38 2q3r n LYS 131 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2q3r s PRO 132 N 5.04 3.47 -0.19 1.97 0.04 -1.26 -4.56 135.00 139.51 2q3r s PRO 132 Ca 0.93 2.07 -0.12 0.00 0.04 0.00 0.00 61.00 63.92 2q3r s PRO 132 Cb -0.40 -2.38 -0.05 0.00 0.04 0.00 0.00 34.50 31.71 2q3r s PRO 132 CO 0.40 -0.88 0.20 -1.17 0.04 0.00 0.00 177.00 175.59 2q3r s LEU 133 N -3.21 4.22 -1.14 -3.56 2.96 -1.26 -4.59 118.68 112.10 2q3r s LEU 133 Ca 0.67 0.33 -0.32 0.00 -0.22 0.00 0.00 54.13 54.59 2q3r s LEU 133 Cb -0.36 -2.20 0.04 0.00 0.50 0.00 0.00 46.19 44.17 2q3r s LEU 133 CO 0.43 0.14 0.60 0.23 -1.32 0.00 0.00 176.35 176.43 2q3r n MET 134 N 3.59 -0.28 -0.17 1.98 2.81 -1.26 -4.58 117.12 119.22 2q3r n MET 134 Ca -0.14 0.01 0.27 0.00 -1.81 0.00 0.00 57.70 56.03 2q3r n MET 134 Cb 0.52 -2.21 0.71 0.00 -0.71 0.00 0.00 33.22 31.52 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 -2.21 0.02 0.00 0.03 0.13 -1.94 0.14 132.00 128.17 2q3r h PRO 135 Ca -0.66 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2q3r h PRO 135 Cb 1.30 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2q3r h PRO 135 CO 0.49 0.02 0.00 0.00 -0.23 0.00 0.00 178.00 178.27 2q3r n GLN 136 N -4.29 0.03 -3.88 0.86 0.00 -1.26 -4.64 117.38 104.19 2q3r n GLN 136 Ca 0.18 0.32 -0.36 0.00 0.00 0.00 0.00 57.00 57.14 2q3r n GLN 136 Cb 0.91 -1.50 -0.12 0.00 0.00 0.00 0.00 30.24 29.53 2q3r n GLN 136 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2q3r s ILE 137 N -2.89 4.23 0.27 -0.39 1.01 0.04 -5.06 121.20 118.41 2q3r s ILE 137 Ca 0.05 -0.21 0.12 0.00 0.00 0.00 0.00 60.65 60.61 2q3r s ILE 137 Cb 0.05 -2.95 -0.05 0.00 0.01 0.00 0.00 42.46 39.52 2q3r s ILE 137 CO 0.14 0.38 -0.20 -0.13 0.00 0.00 0.00 174.94 175.12 2q3r s ARG 138 N 1.30 1.66 0.67 2.79 3.00 -1.26 0.39 118.95 127.50 2q3r s ARG 138 Ca 0.05 -1.73 -0.17 0.00 0.00 0.00 0.00 55.73 53.88 2q3r s ARG 138 Cb -0.15 -1.79 0.00 0.00 0.00 0.00 0.00 34.95 33.02 2q3r s ARG 138 CO 0.03 0.34 1.22 -1.12 0.00 0.00 0.00 175.30 175.76 2q3r s SER 139 N -3.37 4.64 -0.69 0.23 0.01 -0.96 -4.68 113.70 108.89 2q3r s SER 139 Ca 0.28 2.39 -0.32 0.00 1.31 0.00 0.00 55.95 59.62 2q3r s SER 139 Cb -0.05 -2.59 -0.16 0.00 0.21 0.00 0.00 66.02 63.42 2q3r s SER 139 CO 0.14 -1.97 2.47 0.59 0.41 0.00 0.00 173.24 174.89 2q3r n ASN 140 N -2.20 1.24 0.00 2.44 5.03 -1.26 -3.41 115.26 117.09 2q3r n ASN 140 Ca 0.14 0.08 0.00 0.00 0.87 0.00 0.00 54.58 55.67 2q3r n ASN 140 Cb 0.50 -1.17 0.00 0.00 -1.02 0.00 0.00 39.78 38.09 2q3r n ASN 140 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2q3r n GLY 141 N 6.47 1.87 3.50 7.41 0.00 -1.26 -5.06 105.19 118.12 2q3r n GLY 141 Ca 0.52 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 2q3r n GLY 141 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2q3r n ILE 142 N 0.00 2.23 0.41 -0.61 5.41 -1.22 -4.82 119.36 120.77 2q3r n ILE 142 Ca 0.00 -0.50 -0.02 0.00 1.00 0.00 0.00 62.75 63.23 2q3r n ILE 142 Cb 0.00 -0.77 0.09 0.00 -0.71 0.00 0.00 39.64 38.25 2q3r n ILE 142 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2q3r n ASP 143 N 0.68 2.73 -4.66 4.38 3.85 -1.26 -4.22 116.55 118.06 2q3r n ASP 143 Ca 0.11 -2.35 -0.40 0.00 -0.71 0.00 0.00 54.79 51.45 2q3r n ASP 143 Cb 0.43 -0.57 -0.06 0.00 -1.35 0.00 0.00 41.12 39.56 2q3r n ASP 143 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 2q3r s GLU 144 N -1.27 4.21 0.31 0.11 2.12 -1.26 -5.00 118.70 117.93 2q3r s GLU 144 Ca 0.16 0.51 -0.26 0.00 0.36 0.00 0.00 54.97 55.74 2q3r s GLU 144 Cb 0.13 -3.56 -0.14 0.00 0.26 0.00 0.00 34.13 30.82 2q3r s GLU 144 CO 0.04 -0.17 0.78 0.00 -0.54 0.00 0.00 175.26 175.37 2q3r n ALA 145 N 4.83 -1.14 -0.05 6.30 0.00 -1.26 -2.26 120.51 126.93 2q3r n ALA 145 Ca -0.03 0.33 -0.12 0.00 0.00 0.00 0.00 53.44 53.62 2q3r n ALA 145 Cb 0.50 -1.87 -0.06 0.00 0.00 0.00 0.00 19.45 18.03 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 1.43 0.27 -8.29 0.00 5.85 -0.34 -3.38 115.31 110.85 2q3r h LEU 146 Ca -0.37 -0.30 -0.73 0.00 0.84 0.00 0.00 57.88 57.32 2q3r h LEU 146 Cb 1.38 -0.07 -0.24 0.00 0.37 0.00 0.00 40.66 42.10 2q3r h LEU 146 CO 0.57 0.50 -0.38 -0.36 -0.34 0.00 0.00 178.44 178.43 2q3r s PHE 147 N -5.01 3.26 -0.11 1.25 0.40 -1.26 -4.81 117.98 111.70 2q3r s PHE 147 Ca -0.14 -1.02 -0.35 0.00 -0.60 0.00 0.00 56.93 54.82 2q3r s PHE 147 Cb 0.06 -3.01 -0.12 0.00 0.51 0.00 0.00 43.02 40.46 2q3r s PHE 147 CO 0.72 -0.78 1.85 2.41 0.70 0.00 0.00 175.22 180.12 2q3r n THR 148 N 5.12 0.52 -1.52 0.64 -1.04 -1.24 -4.60 114.28 112.17 2q3r n THR 148 Ca -0.12 -0.09 -0.51 0.00 -2.04 0.00 0.00 64.05 61.29 2q3r n THR 148 Cb 0.44 -1.76 -0.05 0.00 -1.82 0.00 0.00 70.33 67.14 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 6.35 0.60 -2.39 -2.82 -0.02 -1.26 -4.46 135.00 131.00 2q3r n PRO 149 Ca 0.23 0.21 -0.39 0.00 -2.02 0.00 0.00 63.50 61.53 2q3r n PRO 149 Cb 0.27 -1.59 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 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 -0.47 4.41 -0.17 0.52 0.04 -1.26 -4.28 135.00 133.79 2q3r s PRO 150 Ca 0.75 1.84 -0.21 0.00 0.04 0.00 0.00 61.00 63.41 2q3r s PRO 150 Cb -0.97 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 30.56 2q3r s PRO 150 CO 0.55 -0.01 0.65 0.50 0.04 0.00 0.00 177.00 178.73 2q3r s ARG 151 N -1.81 4.27 0.03 4.56 3.52 0.21 -4.13 118.95 125.59 2q3r s ARG 151 Ca 0.49 0.69 -0.30 0.00 -0.13 0.00 0.00 55.73 56.48 2q3r s ARG 151 Cb -0.32 -3.55 -0.07 0.00 -1.56 0.00 0.00 34.95 29.46 2q3r s ARG 151 CO 0.41 -0.17 1.54 0.50 -0.81 0.00 0.00 175.30 176.77 2q3r s ARG 152 N 1.66 4.23 0.12 5.12 3.52 -1.24 -3.14 118.95 129.23 2q3r s ARG 152 Ca 0.31 2.16 -0.31 0.00 -0.13 0.00 0.00 55.73 57.76 2q3r s ARG 152 Cb -0.16 -3.61 -0.08 0.00 -1.56 0.00 0.00 34.95 29.54 2q3r s ARG 152 CO 0.12 -0.67 1.39 -0.51 -0.81 0.00 0.00 175.30 174.81 2q3r s LEU 153 N 2.61 4.37 0.44 -0.88 1.43 -1.08 -4.98 118.68 120.60 2q3r s LEU 153 Ca 0.69 2.34 -0.23 0.00 -1.03 0.00 0.00 54.13 55.90 2q3r s LEU 153 Cb -0.36 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.20 2q3r s LEU 153 CO 0.29 -0.65 1.14 -0.83 0.23 0.00 0.00 176.35 176.54 2q3r s GLY 154 N 1.03 2.77 0.51 -3.19 0.00 -1.26 -4.91 107.32 102.28 2q3r s GLY 154 Ca 0.64 0.88 0.18 0.00 0.00 0.00 0.00 44.72 46.42 2q3r s GLY 154 CO 0.31 1.33 2.13 1.19 0.00 0.00 0.00 173.10 178.06 2q3r h ILE 155 N 1.98 0.94 0.00 0.90 2.10 -2.03 -0.05 117.51 121.34 2q3r h ILE 155 Ca -0.49 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.28 2q3r h ILE 155 Cb 1.24 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 38.06 2q3r h ILE 155 CO 0.61 0.05 0.00 -0.62 -1.08 0.00 0.00 178.15 177.10 2q3r n GLU 156 N -4.34 0.64 -0.02 2.19 1.02 -1.26 -2.72 120.64 116.15 2q3r n GLU 156 Ca -0.03 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.15 2q3r n GLU 156 Cb 0.13 -1.27 -0.10 0.00 -0.02 0.00 0.00 31.44 30.18 2q3r n GLU 156 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2q3r n GLU 157 N -0.77 0.70 -0.16 3.49 1.02 -0.04 -4.67 120.64 120.22 2q3r n GLU 157 Ca 0.08 -0.10 -0.09 0.00 -0.02 0.00 0.00 57.16 57.03 2q3r n GLU 157 Cb 0.04 -1.32 -0.00 0.00 -0.02 0.00 0.00 31.44 30.14 2q3r n GLU 157 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2q3r h ILE 158 N 0.00 1.24 -0.43 -3.67 2.04 -1.55 -2.70 117.51 112.44 2q3r h ILE 158 Ca -0.06 -0.86 0.06 0.00 1.00 0.00 0.00 64.86 65.00 2q3r h ILE 158 Cb 0.83 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2q3r h ILE 158 CO 0.00 0.30 0.29 -0.65 0.00 0.00 0.00 178.15 178.10 2q3r h PRO 159 N 0.61 0.32 -0.02 2.37 0.11 -1.83 -0.83 132.00 132.73 2q3r h PRO 159 Ca 0.14 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 66.04 2q3r h PRO 159 Cb 0.35 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 2q3r h PRO 159 CO 0.00 0.21 -0.81 0.78 -0.21 0.00 0.00 178.00 177.98 2q3r h GLY 160 N 0.33 0.27 1.32 -0.55 0.00 -1.80 -2.91 103.07 99.73 2q3r h GLY 160 Ca 0.19 -0.43 -0.15 0.00 0.00 0.00 0.00 47.33 46.93 2q3r h GLY 160 CO -0.04 0.39 -0.42 -2.22 0.00 0.00 0.00 176.54 174.24 2q3r h ILE 161 N 0.15 1.29 0.00 2.60 2.04 -1.01 -1.03 117.51 121.55 2q3r h ILE 161 Ca -0.04 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.22 2q3r h ILE 161 Cb 1.41 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 2q3r h ILE 161 CO 0.13 0.52 0.00 0.58 0.00 0.00 0.00 178.15 179.37 2q3r h VAL 162 N 0.60 0.00 0.00 1.67 2.07 -1.13 -0.36 116.25 119.10 2q3r h VAL 162 Ca 0.05 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2q3r h VAL 162 Cb 0.97 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2q3r h VAL 162 CO 0.09 0.00 -1.05 -3.20 0.02 0.00 0.00 177.57 173.43 2q3r n ASN 163 N -2.68 0.63 0.10 0.57 2.85 -0.43 -3.66 115.26 112.64 2q3r n ASN 163 Ca -0.02 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.42 2q3r n ASN 163 Cb 0.10 0.72 0.13 0.00 1.24 0.00 0.00 39.78 41.97 2q3r n ASN 163 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2q3r h ASP 164 N 0.00 0.17 -0.17 1.20 3.32 -0.59 -1.59 116.42 118.76 2q3r h ASP 164 Ca 0.00 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 56.81 2q3r h ASP 164 Cb 0.83 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 2q3r h ASP 164 CO 0.00 0.75 -0.37 -0.26 -1.72 0.00 0.00 179.24 177.64 2q3r h PHE 165 N 0.11 0.82 -0.25 4.55 -1.00 -1.66 -1.22 116.94 118.28 2q3r h PHE 165 Ca -0.01 -0.23 -0.11 0.00 2.81 0.00 0.00 57.97 60.44 2q3r h PHE 165 Cb 1.12 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.49 2q3r h PHE 165 CO 0.01 0.96 -0.30 -0.09 -1.61 0.00 0.00 178.31 177.28 2q3r h ARG 166 N 0.58 0.51 0.11 1.51 2.43 -1.55 0.39 114.38 118.36 2q3r h ARG 166 Ca 0.06 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 2q3r h ARG 166 Cb 0.89 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2q3r h ARG 166 CO 0.08 0.75 -0.05 1.25 -1.51 0.00 0.00 179.97 180.49 2q3r h LEU 167 N 0.44 -0.12 -0.80 3.80 5.85 -1.01 -1.31 115.31 122.16 2q3r h LEU 167 Ca 0.06 -0.27 0.07 0.00 0.84 0.00 0.00 57.88 58.58 2q3r h LEU 167 Cb 0.74 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 2q3r h LEU 167 CO 0.06 0.21 0.48 0.00 -0.34 0.00 0.00 178.44 178.85 2q3r h ALA 168 N 0.38 1.11 0.49 1.25 0.00 -1.07 -0.68 119.26 120.75 2q3r h ALA 168 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2q3r h ALA 168 Cb 0.38 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2q3r h ALA 168 CO 0.02 0.17 -0.27 0.00 0.00 0.00 0.00 179.25 179.17 2q3r h ALA 169 N 1.41 -1.15 -0.95 0.00 0.00 -0.86 0.24 119.26 117.94 2q3r h ALA 169 Ca 0.36 -0.15 0.28 0.00 0.00 0.00 0.00 54.91 55.40 2q3r h ALA 169 Cb 0.23 0.34 -0.14 0.00 0.00 0.00 0.00 17.79 18.22 2q3r h ALA 169 CO -0.20 -1.11 0.41 -0.09 0.00 0.00 0.00 179.25 178.27 2q3r h ARG 170 N -0.70 0.28 -0.73 0.00 9.65 -0.96 1.36 114.38 123.27 2q3r h ARG 170 Ca -0.07 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 58.74 2q3r h ARG 170 Cb 0.55 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.04 2q3r h ARG 170 CO 0.09 0.19 0.23 -0.91 2.80 0.00 0.00 179.97 182.36 2q3r h ASN 171 N 0.29 1.06 -0.14 -3.80 2.35 -0.79 0.58 115.58 115.14 2q3r h ASN 171 Ca 0.64 -0.20 0.05 0.00 -0.55 0.00 0.00 56.30 56.24 2q3r h ASN 171 Cb 1.38 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 39.42 2q3r h ASN 171 CO -0.62 0.99 -0.19 0.00 -1.65 0.00 0.00 177.43 175.96 2q3r h ALA 172 N 1.15 -0.12 -0.70 -0.83 0.00 0.52 0.11 119.26 119.39 2q3r h ALA 172 Ca 0.24 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.23 2q3r h ALA 172 Cb 0.30 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2q3r h ALA 172 CO -0.01 -0.64 0.44 0.52 0.00 0.00 0.00 179.25 179.56 2q3r h MET 173 N -0.23 0.83 -0.75 0.00 2.86 -0.82 -0.71 114.93 116.10 2q3r h MET 173 Ca 0.10 -0.05 0.11 0.00 -2.06 0.00 0.00 59.70 57.80 2q3r h MET 173 Cb 0.38 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 31.80 2q3r h MET 173 CO -0.27 0.55 0.50 1.49 1.06 0.00 0.00 176.91 180.23 2q3r h GLU 174 N 0.85 0.58 0.00 1.72 4.81 0.34 0.23 114.58 123.11 2q3r h GLU 174 Ca 0.28 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2q3r h GLU 174 Cb 0.03 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2q3r h GLU 174 CO -0.11 0.38 0.00 0.00 -0.73 0.00 0.00 179.01 178.55 2q3r n ALA 175 N -2.47 2.28 0.00 2.92 0.00 0.26 -4.94 120.51 118.56 2q3r n ALA 175 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2q3r n ALA 175 Cb 0.39 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 1.32 0.66 3.57 0.00 0.00 0.81 -4.09 105.19 107.46 2q3r n GLY 176 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 2q3r n GLY 176 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2q3r n PHE 177 N -1.48 0.09 0.73 1.61 3.01 -0.95 -4.91 117.46 115.56 2q3r n PHE 177 Ca 0.00 0.35 0.13 0.00 1.01 0.00 0.00 57.45 58.94 2q3r n PHE 177 Cb 0.00 -1.98 0.37 0.00 -0.01 0.00 0.00 39.48 37.86 2q3r n PHE 177 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2q3r n ASP 178 N -2.04 0.59 0.00 4.37 8.00 -0.04 -4.66 116.55 122.77 2q3r n ASP 178 Ca 0.11 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.97 2q3r n ASP 178 Cb 0.51 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 2q3r n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2q3r n GLY 179 N 1.37 -1.04 3.20 0.44 0.00 -1.25 -4.76 105.19 103.15 2q3r n GLY 179 Ca 0.05 -1.06 -0.16 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.00 1.09 -0.13 1.61 1.01 0.12 -2.02 120.40 119.08 2q3r s VAL 180 Ca 0.00 -1.64 0.01 0.00 0.00 0.00 0.00 61.98 60.35 2q3r s VAL 180 Cb 0.00 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 35.01 2q3r s VAL 180 CO 0.00 -0.48 -0.13 -0.70 0.00 0.00 0.00 175.10 173.79 2q3r s GLU 181 N -2.65 2.17 0.16 2.72 2.12 -1.15 -0.22 118.70 121.84 2q3r s GLU 181 Ca 0.06 -0.51 -0.31 0.00 0.36 0.00 0.00 54.97 54.57 2q3r s GLU 181 Cb -0.04 -1.98 -0.09 0.00 0.26 0.00 0.00 34.13 32.28 2q3r s GLU 181 CO 0.01 -0.20 1.39 0.42 -0.54 0.00 0.00 175.26 176.34 2q3r s ILE 182 N 1.41 3.13 -1.03 -3.70 1.01 0.23 -2.96 121.20 119.29 2q3r s ILE 182 Ca 0.02 0.86 -0.04 0.00 0.00 0.00 0.00 60.65 61.49 2q3r s ILE 182 Cb -0.13 -3.55 0.14 0.00 0.01 0.00 0.00 42.46 38.93 2q3r s ILE 182 CO -0.08 0.09 2.40 1.57 0.00 0.00 0.00 174.94 178.92 2q3r n HIS 183 N 3.37 2.38 0.86 3.97 -0.00 -1.18 0.52 115.22 125.15 2q3r n HIS 183 Ca 0.10 -2.53 0.00 0.00 -0.00 0.00 0.00 57.72 55.28 2q3r n HIS 183 Cb 0.42 -1.60 0.00 0.00 -0.00 0.00 0.00 29.99 28.81 2q3r n HIS 183 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2q3r n GLY 184 N 1.15 0.91 0.22 1.57 0.00 0.01 -4.68 105.19 104.37 2q3r n GLY 184 Ca 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.57 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 0.04 0.03 -0.85 4.61 0.00 -1.04 -4.23 120.51 119.07 2q3r n ALA 185 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2q3r n ALA 185 Cb 0.17 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.79 -2.03 0.00 0.00 3.02 -1.26 -3.31 115.26 109.89 2q3r n ASN 186 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 2q3r n ASN 186 Cb 0.04 -1.65 0.00 0.00 -0.61 0.00 0.00 39.78 37.56 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 -1.51 0.67 0.00 7.41 0.00 -1.26 -4.60 105.19 105.90 2q3r n GLY 187 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.59 0.00 -0.03 1.61 4.01 -1.21 -4.48 117.16 114.47 2q3r n TYR 188 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 2q3r n TYR 188 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 2q3r n TYR 188 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2q3r h LEU 189 N 0.00 -0.81 -0.26 7.72 5.85 -0.97 0.38 115.31 127.23 2q3r h LEU 189 Ca 0.00 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2q3r h LEU 189 Cb 0.00 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2q3r h LEU 189 CO 0.00 -0.30 0.08 0.40 -0.34 0.00 0.00 178.44 178.28 2q3r h ILE 190 N -0.29 1.19 -0.90 4.05 2.04 -1.83 -2.57 117.51 119.21 2q3r h ILE 190 Ca 0.12 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.39 2q3r h ILE 190 Cb 0.47 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 2q3r h ILE 190 CO -0.36 0.20 0.59 -0.78 0.00 0.00 0.00 178.15 177.80 2q3r h ASP 191 N 0.25 0.98 -1.00 1.72 3.58 -1.66 -2.06 116.42 118.22 2q3r h ASP 191 Ca 0.08 -0.01 0.14 0.00 0.42 0.00 0.00 57.03 57.66 2q3r h ASP 191 Cb 0.24 -0.23 -0.09 0.00 1.72 0.00 0.00 39.33 40.97 2q3r h ASP 191 CO -0.00 0.68 0.63 1.56 -2.88 0.00 0.00 179.24 179.22 2q3r h GLN 192 N 1.14 0.90 -0.06 0.28 4.20 0.17 -0.95 115.11 120.79 2q3r h GLN 192 Ca 0.35 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.85 2q3r h GLN 192 Cb -0.01 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 2q3r h GLN 192 CO -0.10 0.60 -0.64 0.74 -0.67 0.00 0.00 178.83 178.76 2q3r h PHE 193 N 0.93 0.31 -0.02 2.96 -1.00 -1.22 -3.23 116.94 115.67 2q3r h PHE 193 Ca 0.52 -0.13 -0.03 0.00 2.81 0.00 0.00 57.97 61.15 2q3r h PHE 193 Cb 0.60 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.11 2q3r h PHE 193 CO -0.00 0.81 -0.09 0.52 -1.61 0.00 0.00 178.31 177.94 2q3r h MET 194 N 0.17 0.10 -6.37 1.51 2.86 -0.97 -3.42 114.93 108.82 2q3r h MET 194 Ca -0.01 -0.08 -0.54 0.00 -2.06 0.00 0.00 59.70 57.01 2q3r h MET 194 Cb 1.16 0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.84 2q3r h MET 194 CO 0.10 0.72 1.01 0.15 1.06 0.00 0.00 176.91 179.95 2q3r s LYS 195 N -3.66 4.20 0.00 1.72 -0.14 -0.55 -4.85 119.74 116.46 2q3r s LYS 195 Ca -0.16 2.23 0.01 0.00 -1.36 0.00 0.00 55.97 56.69 2q3r s LYS 195 Cb 0.01 -3.75 0.03 0.00 -1.68 0.00 0.00 37.83 32.45 2q3r s LYS 195 CO 0.71 -0.76 0.56 -0.40 -0.76 0.00 0.00 175.35 174.71 2q3r n ASP 196 N 6.16 0.00 -0.00 2.83 5.75 -1.26 -1.48 116.55 128.55 2q3r n ASP 196 Ca 0.16 -1.05 0.06 0.00 -0.01 0.00 0.00 54.79 53.95 2q3r n ASP 196 Cb 0.42 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.43 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 -0.52 0.00 -0.05 2.12 -2.24 -1.24 -4.64 114.28 107.70 2q3r n THR 197 Ca 0.00 -0.19 -0.07 0.00 -2.27 0.00 0.00 64.05 61.52 2q3r n THR 197 Cb 0.00 1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.18 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 -1.31 0.62 -3.13 2.28 0.31 -0.55 -4.95 118.33 111.60 2q3r n VAL 198 Ca 0.02 -0.24 -0.42 0.00 -0.01 0.00 0.00 64.34 63.70 2q3r n VAL 198 Cb 0.20 -0.88 -0.07 0.00 -0.91 0.00 0.00 33.84 32.19 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 -5.04 6.39 -0.16 4.52 2.47 -0.81 -4.43 114.94 117.89 2q3r s ASN 199 Ca -0.14 0.04 0.14 0.00 0.42 0.00 0.00 52.86 53.31 2q3r s ASN 199 Cb 0.04 -2.32 0.42 0.00 -1.45 0.00 0.00 41.25 37.94 2q3r s ASN 199 CO 0.25 -0.61 1.21 -0.90 -3.72 0.00 0.00 177.10 173.32 2q3r n ASP 200 N 6.04 1.57 -4.75 -4.21 5.75 -1.26 -4.63 116.55 115.05 2q3r n ASP 200 Ca -0.02 -3.47 -0.36 0.00 -0.01 0.00 0.00 54.79 50.93 2q3r n ASP 200 Cb 0.48 -0.48 0.04 0.00 -1.03 0.00 0.00 41.12 40.14 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 -2.53 2.89 -0.22 0.11 0.52 -1.26 -4.80 118.95 113.67 2q3r s ARG 201 Ca 0.37 1.83 0.14 0.00 -0.52 0.00 0.00 55.73 57.55 2q3r s ARG 201 Cb 0.37 -1.92 0.48 0.00 0.52 0.00 0.00 34.95 34.40 2q3r s ARG 201 CO -0.09 -1.27 1.39 0.25 0.02 0.00 0.00 175.30 175.60 2q3r n THR 202 N -1.70 2.33 -4.22 0.02 -2.24 -1.26 -1.54 114.28 105.67 2q3r n THR 202 Ca 0.14 -2.33 -0.09 0.00 -2.27 0.00 0.00 64.05 59.49 2q3r n THR 202 Cb 0.50 -0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.43 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 -0.91 2.34 0.17 3.42 3.85 -1.26 -5.00 116.55 119.15 2q3r n ASP 203 Ca 0.25 -1.64 0.11 0.00 -0.71 0.00 0.00 54.79 52.80 2q3r n ASP 203 Cb 0.90 0.11 0.58 0.00 -1.35 0.00 0.00 41.12 41.37 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 -0.36 0.14 -0.34 0.11 0.28 -1.26 -1.58 120.64 117.62 2q3r n GLU 204 Ca -0.06 0.64 0.10 0.00 -0.16 0.00 0.00 57.16 57.67 2q3r n GLU 204 Cb 0.19 -1.99 0.28 0.00 1.43 0.00 0.00 31.44 31.35 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 0.89 -3.89 -1.84 4.01 -1.26 -4.45 117.16 108.37 2q3r n TYR 205 Ca -0.01 -0.43 -0.04 0.00 -0.16 0.00 0.00 57.90 57.26 2q3r n TYR 205 Cb 0.07 -0.03 0.02 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 -0.98 0.19 0.00 2.72 0.00 -0.61 -4.06 107.32 104.58 2q3r s GLY 206 Ca 0.42 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.69 2q3r s GLY 206 CO 0.28 2.29 0.00 0.61 0.00 0.00 0.00 173.10 176.28 2q3r n GLY 207 N -0.70 0.76 3.54 0.20 0.00 -0.59 -4.27 105.19 104.14 2q3r n GLY 207 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.78 -0.32 0.16 1.61 1.04 -1.26 -5.01 113.70 107.14 2q3r s SER 208 Ca 0.00 0.12 -0.18 0.00 0.48 0.00 0.00 55.95 56.37 2q3r s SER 208 Cb 0.00 0.31 0.09 0.00 0.10 0.00 0.00 66.02 66.52 2q3r s SER 208 CO 0.00 -0.46 1.66 0.25 0.98 0.00 0.00 173.24 175.67 2q3r h LEU 209 N 2.17 -0.43 0.51 2.42 5.85 -1.94 0.11 115.31 123.99 2q3r h LEU 209 Ca -0.18 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 2q3r h LEU 209 Cb 1.20 0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.50 2q3r h LEU 209 CO 0.29 -0.15 -0.30 1.56 -0.34 0.00 0.00 178.44 179.50 2q3r h GLN 210 N -0.04 -0.73 -0.58 1.25 4.20 -1.98 -1.62 115.11 115.61 2q3r h GLN 210 Ca 0.19 0.05 0.12 0.00 0.06 0.00 0.00 58.65 59.07 2q3r h GLN 210 Cb 0.32 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 2q3r h GLN 210 CO -0.41 -0.49 0.40 -0.91 -0.67 0.00 0.00 178.83 176.75 2q3r h ASN 211 N -0.76 0.24 0.36 1.46 4.21 -1.69 -0.94 115.58 118.46 2q3r h ASN 211 Ca -0.06 0.01 -0.16 0.00 1.21 0.00 0.00 56.30 57.30 2q3r h ASN 211 Cb 0.62 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.76 2q3r h ASN 211 CO 0.07 0.14 -0.64 0.03 -1.29 0.00 0.00 177.43 175.74 2q3r h ARG 212 N 0.27 0.27 -0.01 0.81 3.08 -0.26 -3.06 114.38 115.47 2q3r h ARG 212 Ca 0.28 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2q3r h ARG 212 Cb 0.72 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.81 2q3r h ARG 212 CO -0.06 0.82 -0.10 0.00 -1.07 0.00 0.00 179.97 179.56 2q3r h LYS 214 N 1.42 1.24 0.48 0.00 3.64 -1.27 -1.95 116.57 120.13 2q3r h LYS 214 Ca 0.00 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 2q3r h LYS 214 Cb 0.43 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2q3r h LYS 214 CO 0.00 0.88 -0.23 0.35 -2.27 0.00 0.00 179.45 178.18 2q3r h PHE 215 N 1.25 -0.60 -0.66 1.91 3.57 -1.76 -0.55 116.94 120.09 2q3r h PHE 215 Ca 0.32 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 2q3r h PHE 215 Cb -0.03 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 2q3r h PHE 215 CO 0.00 -0.35 0.40 -1.00 -2.23 0.00 0.00 178.31 175.14 2q3r h PRO 216 N -0.69 0.90 -0.22 6.41 0.13 -1.79 -2.15 132.00 134.59 2q3r h PRO 216 Ca -0.07 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.97 2q3r h PRO 216 Cb 0.52 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 2q3r h PRO 216 CO 0.11 0.64 0.05 -0.07 -0.23 0.00 0.00 178.00 178.49 2q3r h LEU 217 N 0.90 0.27 -0.53 1.56 3.38 -1.26 -0.69 115.31 118.95 2q3r h LEU 217 Ca 0.24 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 2q3r h LEU 217 Cb -0.03 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2q3r h LEU 217 CO -0.05 0.29 -0.12 -0.33 0.09 0.00 0.00 178.44 178.32 2q3r h GLU 218 N 0.31 1.02 -0.38 1.13 5.08 -0.49 -1.95 114.58 119.29 2q3r h GLU 218 Ca 0.08 -0.39 -0.09 0.00 -1.00 0.00 0.00 59.36 57.96 2q3r h GLU 218 Cb 0.13 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2q3r h GLU 218 CO -0.00 1.08 -0.10 0.82 -1.00 0.00 0.00 179.01 179.80 2q3r h ILE 219 N 0.89 1.28 -0.89 3.13 2.04 -0.77 -1.85 117.51 121.35 2q3r h ILE 219 Ca 0.13 -1.19 0.10 0.00 1.00 0.00 0.00 64.86 64.90 2q3r h ILE 219 Cb 0.70 1.26 -0.08 0.00 -0.74 0.00 0.00 36.82 37.96 2q3r h ILE 219 CO 0.05 0.40 0.53 0.58 0.00 0.00 0.00 178.15 179.71 2q3r h VAL 220 N 0.55 0.93 0.88 1.67 2.07 -1.04 -2.08 116.25 119.24 2q3r h VAL 220 Ca 0.10 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 2q3r h VAL 220 Cb 0.63 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2q3r h VAL 220 CO 0.04 0.16 -0.49 -0.78 0.02 0.00 0.00 177.57 176.52 2q3r h ASP 221 N 0.88 -1.20 -0.38 0.57 3.58 -0.69 -2.16 116.42 117.03 2q3r h ASP 221 Ca 0.43 0.06 0.04 0.00 0.42 0.00 0.00 57.03 57.98 2q3r h ASP 221 Cb 0.38 0.34 -0.04 0.00 1.72 0.00 0.00 39.33 41.72 2q3r h ASP 221 CO -0.24 -0.78 0.14 0.00 -2.88 0.00 0.00 179.24 175.47 2q3r h ALA 222 N -1.22 0.44 -0.14 -0.78 0.00 -1.12 -1.97 119.26 114.48 2q3r h ALA 222 Ca -0.12 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2q3r h ALA 222 Cb 1.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2q3r h ALA 222 CO 0.16 -0.25 0.08 0.28 0.00 0.00 0.00 179.25 179.52 2q3r h VAL 223 N 0.29 1.06 -0.44 0.00 2.07 -1.44 -1.67 116.25 116.13 2q3r h VAL 223 Ca 0.17 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 2q3r h VAL 223 Cb 0.15 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2q3r h VAL 223 CO -0.17 0.05 0.16 0.00 0.02 0.00 0.00 177.57 177.64 2q3r h ALA 224 N 1.02 0.57 0.00 1.67 0.00 -1.28 -0.58 119.26 120.65 2q3r h ALA 224 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2q3r h ALA 224 Cb 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2q3r h ALA 224 CO -0.01 0.19 0.00 0.87 0.00 0.00 0.00 179.25 180.30 2q3r h LYS 225 N 0.56 0.00 0.00 0.00 1.57 -1.29 1.69 116.57 119.10 2q3r h LYS 225 Ca 0.14 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.65 2q3r h LYS 225 Cb 0.21 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 2q3r h LYS 225 CO -0.01 0.00 -1.73 -1.91 -0.57 0.00 0.00 179.45 175.23 2q3r n GLU 226 N -2.94 0.64 0.00 3.15 4.07 -0.47 -4.66 120.64 120.43 2q3r n GLU 226 Ca -0.01 0.24 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 2q3r n GLU 226 Cb 0.15 -1.76 0.00 0.00 -0.06 0.00 0.00 31.44 29.77 2q3r n GLU 226 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 2q3r n ILE 227 N -2.97 0.00 0.00 6.31 -5.35 -0.35 -4.91 119.36 112.09 2q3r n ILE 227 Ca -0.17 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 2q3r n ILE 227 Cb 1.02 0.86 0.00 0.00 -1.74 0.00 0.00 39.64 39.78 2q3r n ILE 227 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2q3r n GLY 228 N 0.61 2.18 0.37 3.28 0.00 0.57 -4.74 105.19 107.46 2q3r n GLY 228 Ca 0.00 -1.12 0.18 0.00 0.00 0.00 0.00 46.02 45.08 2q3r n GLY 228 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2q3r h PRO 229 N 0.00 0.00 0.00 1.61 0.13 -1.82 0.16 132.00 132.08 2q3r h PRO 229 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2q3r h PRO 229 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2q3r h PRO 229 CO 0.00 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.37 2q3r n ASP 230 N -3.26 0.00 -2.53 1.44 5.68 -1.26 -0.19 116.55 116.43 2q3r n ASP 230 Ca 0.04 -1.31 -0.10 0.00 -0.50 0.00 0.00 54.79 52.93 2q3r n ASP 230 Cb 0.62 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.64 2q3r n ASP 230 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2q3r n ARG 231 N -0.80 2.44 -3.66 0.11 1.74 0.57 -4.67 116.66 112.39 2q3r n ARG 231 Ca 0.13 -3.76 -0.08 0.00 -0.77 0.00 0.00 57.85 53.37 2q3r n ARG 231 Cb 0.06 -1.86 -0.09 0.00 -1.02 0.00 0.00 32.46 29.56 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 -4.11 -0.59 0.45 1.55 1.01 -1.19 0.13 120.40 117.66 2q3r s VAL 232 Ca 0.36 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.53 2q3r s VAL 232 Cb 0.36 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 2q3r s VAL 232 CO -0.01 0.05 0.19 -0.83 0.00 0.00 0.00 175.10 174.50 2q3r s GLY 233 N 2.44 2.45 0.00 4.51 0.00 0.69 0.08 107.32 117.50 2q3r s GLY 233 Ca -0.04 -1.72 0.05 0.00 0.00 0.00 0.00 44.72 43.01 2q3r s GLY 233 CO -0.14 -1.97 -0.15 -1.50 0.00 0.00 0.00 173.10 169.34 2q3r s ILE 234 N -2.68 1.21 -0.08 0.90 2.07 0.16 0.77 121.20 123.55 2q3r s ILE 234 Ca 0.34 -0.77 0.03 0.00 -1.41 0.00 0.00 60.65 58.85 2q3r s ILE 234 Cb 0.03 -1.03 -0.02 0.00 0.13 0.00 0.00 42.46 41.57 2q3r s ILE 234 CO 0.19 0.25 -0.17 -0.60 -1.91 0.00 0.00 174.94 172.71 2q3r s ARG 235 N -0.59 2.87 0.09 3.50 3.52 0.19 0.23 118.95 128.75 2q3r s ARG 235 Ca 0.05 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.90 2q3r s ARG 235 Cb -0.06 -2.42 -0.04 0.00 -1.56 0.00 0.00 34.95 30.87 2q3r s ARG 235 CO 0.00 0.39 -0.03 -0.51 -0.81 0.00 0.00 175.30 174.34 2q3r s LEU 236 N -0.14 2.40 -0.43 -0.88 1.43 0.15 -0.81 118.68 120.41 2q3r s LEU 236 Ca -0.02 -1.04 0.08 0.00 -1.03 0.00 0.00 54.13 52.12 2q3r s LEU 236 Cb -0.14 0.08 0.27 0.00 0.03 0.00 0.00 46.19 46.43 2q3r s LEU 236 CO 0.04 -0.56 0.72 -1.54 0.23 0.00 0.00 176.35 175.23 2q3r n SER 237 N 0.00 -0.93 0.00 2.29 3.41 -1.26 -0.86 113.62 116.26 2q3r n SER 237 Ca -0.12 -3.02 0.08 0.00 -0.26 0.00 0.00 58.87 55.55 2q3r n SER 237 Cb 0.61 0.37 0.45 0.00 -0.26 0.00 0.00 64.21 65.38 2q3r n SER 237 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2q3r n PRO 238 N 1.25 0.44 0.00 4.33 -0.04 -1.26 -2.57 135.00 137.14 2q3r n PRO 238 Ca 0.16 0.02 0.03 0.00 -0.04 0.00 0.00 63.50 63.68 2q3r n PRO 238 Cb 0.59 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 2q3r n PRO 238 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2q3r n PHE 239 N -1.05 0.00 -2.96 0.54 3.01 -1.26 -4.58 117.46 111.17 2q3r n PHE 239 Ca 0.11 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.33 2q3r n PHE 239 Cb 0.06 0.00 0.01 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 -1.50 3.68 -0.06 4.37 0.00 -1.06 -4.88 121.76 122.31 2q3r s ALA 240 Ca 0.03 -0.97 0.12 0.00 0.00 0.00 0.00 51.96 51.13 2q3r s ALA 240 Cb 0.05 -2.21 0.22 0.00 0.00 0.00 0.00 23.12 21.17 2q3r s ALA 240 CO 0.23 -0.37 1.10 -0.40 0.00 0.00 0.00 175.76 176.33 2q3r n ASP 241 N -2.10 1.01 -4.63 0.00 5.68 -1.26 -4.15 116.55 111.10 2q3r n ASP 241 Ca 0.01 -2.51 -0.47 0.00 -0.50 0.00 0.00 54.79 51.31 2q3r n ASP 241 Cb 0.57 -0.32 -0.04 0.00 -1.14 0.00 0.00 41.12 40.19 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 -0.39 1.84 -3.44 2.11 9.36 -1.26 -1.55 117.16 123.84 2q3r n TYR 242 Ca 0.08 0.50 -0.17 0.00 3.32 0.00 0.00 57.90 61.62 2q3r n TYR 242 Cb 0.78 -2.41 0.09 0.00 -0.63 0.00 0.00 39.34 37.17 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 2.34 -6.35 -3.96 2.98 2.81 -1.26 -3.38 117.12 110.30 2q3r n MET 243 Ca 0.15 0.84 -0.41 0.00 -1.81 0.00 0.00 57.70 56.47 2q3r n MET 243 Cb 0.27 -5.83 0.02 0.00 -0.71 0.00 0.00 33.22 26.97 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 -4.10 -0.59 -1.40 0.03 1.02 -0.59 -4.91 120.64 110.10 2q3r n GLU 244 Ca -0.28 0.25 -0.01 0.00 -0.02 0.00 0.00 57.16 57.10 2q3r n GLU 244 Cb 0.67 -2.80 0.10 0.00 -0.02 0.00 0.00 31.44 29.39 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 -2.29 2.13 -4.73 1.62 3.41 -0.94 -4.79 113.62 108.02 2q3r n SER 245 Ca -0.13 -3.13 -0.30 0.00 -0.26 0.00 0.00 58.87 55.04 2q3r n SER 245 Cb 0.58 -0.43 0.12 0.00 -0.26 0.00 0.00 64.21 64.23 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 -3.05 1.63 0.01 5.00 0.00 -1.26 -4.52 107.32 105.12 2q3r s GLY 246 Ca 0.38 0.02 0.02 0.00 0.00 0.00 0.00 44.72 45.14 2q3r s GLY 246 CO -0.07 0.47 -0.05 -0.35 0.00 0.00 0.00 173.10 173.10 2q3r s ASP 247 N -3.43 0.59 0.05 1.64 -1.08 -1.26 -3.73 116.67 109.46 2q3r s ASP 247 Ca 0.63 -0.20 -0.13 0.00 -0.52 0.00 0.00 52.55 52.32 2q3r s ASP 247 Cb -0.18 -0.03 -0.32 0.00 -1.46 0.00 0.00 42.92 40.93 2q3r s ASP 247 CO 0.57 -0.02 1.06 0.71 0.52 0.00 0.00 175.17 178.01 2q3r h THR 248 N 4.90 1.32 -3.13 1.71 1.35 -1.95 -3.39 112.91 113.73 2q3r h THR 248 Ca -0.29 -2.70 -0.69 0.00 -0.55 0.00 0.00 66.41 62.17 2q3r h THR 248 Cb 1.20 2.93 -0.36 0.00 -1.73 0.00 0.00 68.15 70.19 2q3r h THR 248 CO 0.48 0.81 -0.12 -3.20 -0.25 0.00 0.00 175.52 173.24 2q3r n ASN 249 N -3.70 4.23 0.00 5.36 2.85 -1.26 -4.98 115.26 117.76 2q3r n ASN 249 Ca -0.14 -3.20 0.00 0.00 -0.11 0.00 0.00 54.58 51.12 2q3r n ASN 249 Cb 1.06 -1.00 0.00 0.00 1.24 0.00 0.00 39.78 41.08 2q3r n ASN 249 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2q3r n PRO 250 N 2.01 0.00 -0.33 1.20 -0.04 -1.26 -2.57 135.00 134.02 2q3r n PRO 250 Ca 0.23 0.55 0.28 0.00 -0.04 0.00 0.00 63.50 64.52 2q3r n PRO 250 Cb 0.37 -1.31 0.52 0.00 -0.04 0.00 0.00 33.50 33.03 2q3r n PRO 250 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2q3r h GLY 251 N 0.00 2.04 0.59 0.55 0.00 -1.90 0.63 103.07 104.98 2q3r h GLY 251 Ca 0.00 -0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.28 2q3r h GLY 251 CO 0.00 -0.72 0.03 0.00 0.00 0.00 0.00 176.54 175.85 2q3r h ALA 252 N 1.98 0.29 0.78 3.60 0.00 -1.94 1.44 119.26 125.41 2q3r h ALA 252 Ca 0.79 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.73 2q3r h ALA 252 Cb 1.98 0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.89 2q3r h ALA 252 CO -0.79 -0.38 -0.37 1.25 0.00 0.00 0.00 179.25 178.96 2q3r h LEU 253 N 0.13 -0.88 0.00 0.00 5.85 0.33 -1.93 115.31 118.81 2q3r h LEU 253 Ca 0.14 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2q3r h LEU 253 Cb 0.17 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2q3r h LEU 253 CO -0.21 -0.54 0.00 0.61 -0.34 0.00 0.00 178.44 177.96 2q3r n GLY 254 N -1.06 -3.09 0.37 3.75 0.00 0.87 -1.23 105.19 104.80 2q3r n GLY 254 Ca -0.14 0.42 -0.06 0.00 0.00 0.00 0.00 46.02 46.24 2q3r n GLY 254 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2q3r h LEU 255 N 0.00 -1.38 -0.83 0.99 5.85 0.19 0.13 115.31 120.25 2q3r h LEU 255 Ca 0.00 0.25 0.17 0.00 0.84 0.00 0.00 57.88 59.15 2q3r h LEU 255 Cb 0.00 0.66 -0.11 0.00 0.37 0.00 0.00 40.66 41.58 2q3r h LEU 255 CO 0.00 -0.31 0.36 0.22 -0.34 0.00 0.00 178.44 178.37 2q3r h TYR 256 N -0.16 0.61 -0.22 1.25 3.20 -1.20 0.21 116.97 120.67 2q3r h TYR 256 Ca 0.22 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.10 2q3r h TYR 256 Cb 0.56 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 2q3r h TYR 256 CO -0.72 0.04 0.02 0.52 -1.64 0.00 0.00 178.16 176.38 2q3r h MET 257 N 0.46 0.37 -0.08 1.82 2.86 0.61 0.10 114.93 121.07 2q3r h MET 257 Ca 0.48 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 58.04 2q3r h MET 257 Cb 0.81 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 2q3r h MET 257 CO -0.45 0.54 -0.11 0.00 1.06 0.00 0.00 176.91 177.95 2q3r h ALA 258 N 0.82 -0.05 0.47 6.32 0.00 0.47 -0.37 119.26 126.91 2q3r h ALA 258 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2q3r h ALA 258 Cb 0.36 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2q3r h ALA 258 CO 0.01 -0.57 -0.31 0.93 0.00 0.00 0.00 179.25 179.31 2q3r h GLU 259 N -0.15 -0.72 -0.42 0.00 5.08 -0.57 -3.11 114.58 114.70 2q3r h GLU 259 Ca 0.07 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.56 2q3r h GLU 259 Cb 0.24 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.57 2q3r h GLU 259 CO -0.17 -0.48 -0.14 0.77 -1.00 0.00 0.00 179.01 177.99 2q3r h SER 260 N -0.74 -0.50 -0.81 1.42 0.02 -0.59 -2.37 113.55 109.98 2q3r h SER 260 Ca -0.05 0.14 0.16 0.00 -0.84 0.00 0.00 61.79 61.20 2q3r h SER 260 Cb 0.62 0.30 -0.10 0.00 0.14 0.00 0.00 62.40 63.36 2q3r h SER 260 CO 0.04 -0.18 0.34 -0.07 -1.14 0.00 0.00 176.83 175.82 2q3r h LEU 261 N -0.05 0.32 -1.31 5.07 3.38 -1.02 -1.03 115.31 120.67 2q3r h LEU 261 Ca 0.20 0.12 0.38 0.00 0.09 0.00 0.00 57.88 58.68 2q3r h LEU 261 Cb 0.36 0.09 -0.13 0.00 0.09 0.00 0.00 40.66 41.07 2q3r h LEU 261 CO -0.46 0.09 0.75 0.78 0.09 0.00 0.00 178.44 179.69 2q3r h ASN 262 N 0.46 0.33 0.00 -0.43 4.21 -1.36 0.85 115.58 119.64 2q3r h ASN 262 Ca 0.46 0.14 0.00 0.00 1.21 0.00 0.00 56.30 58.11 2q3r h ASN 262 Cb 0.74 0.12 0.00 0.00 -1.12 0.00 0.00 38.32 38.06 2q3r h ASN 262 CO -0.44 -0.14 0.05 1.17 -1.29 0.00 0.00 177.43 176.78 2q3r n LYS 263 N -4.78 0.00 0.00 0.81 4.81 -0.39 -1.09 118.16 117.52 2q3r n LYS 263 Ca 0.34 0.43 0.02 0.00 -0.87 0.00 0.00 58.31 58.23 2q3r n LYS 263 Cb 1.25 -1.55 0.01 0.00 0.02 0.00 0.00 35.03 34.76 2q3r n LYS 263 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2q3r n TYR 264 N -1.42 0.00 -4.00 5.64 4.02 0.29 -5.04 117.16 116.65 2q3r n TYR 264 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.61 2q3r n TYR 264 Cb 0.05 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.34 2q3r n TYR 264 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2q3r n GLY 265 N 0.36 -0.32 3.92 2.72 0.00 -0.25 -4.80 105.19 106.83 2q3r n GLY 265 Ca 0.02 0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.96 3.40 0.06 -0.61 -4.36 -1.26 -4.26 121.20 110.22 2q3r s ILE 266 Ca 0.08 -0.11 -0.27 0.00 -0.26 0.00 0.00 60.65 60.09 2q3r s ILE 266 Cb -0.03 -3.36 -0.13 0.00 1.25 0.00 0.00 42.46 40.19 2q3r s ILE 266 CO 0.91 -0.36 1.41 0.25 0.24 0.00 0.00 174.94 177.39 2q3r h LEU 267 N -0.20 -1.00 -8.59 0.37 5.85 0.30 -3.47 115.31 108.57 2q3r h LEU 267 Ca -0.45 0.07 -0.27 0.00 0.84 0.00 0.00 57.88 58.08 2q3r h LEU 267 Cb 1.27 0.32 -0.12 0.00 0.37 0.00 0.00 40.66 42.50 2q3r h LEU 267 CO 0.60 -0.52 -0.42 -0.72 -0.34 0.00 0.00 178.44 177.04 2q3r s TYR 268 N -5.12 1.13 -0.12 1.25 -0.85 -1.19 -3.36 117.35 109.10 2q3r s TYR 268 Ca -0.13 -1.31 -0.02 0.00 -0.52 0.00 0.00 57.07 55.09 2q3r s TYR 268 Cb 0.03 -0.37 0.04 0.00 0.38 0.00 0.00 41.96 42.04 2q3r s TYR 268 CO 0.44 -0.85 0.00 0.00 -1.52 0.00 0.00 175.55 173.63 2q3r s HIS 270 N 1.90 2.90 0.02 0.00 5.04 0.62 -0.53 115.29 125.24 2q3r s HIS 270 Ca 0.03 -0.77 0.05 0.00 -1.54 0.00 0.00 55.06 52.83 2q3r s HIS 270 Cb -0.14 -1.97 -0.02 0.00 0.04 0.00 0.00 32.58 30.49 2q3r s HIS 270 CO -0.06 -0.36 -0.14 0.08 -2.34 0.00 0.00 174.74 171.92 2q3r s VAL 271 N 0.87 1.13 -0.17 0.89 1.01 0.01 0.34 120.40 124.47 2q3r s VAL 271 Ca -0.02 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 2q3r s VAL 271 Cb -0.15 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 2q3r s VAL 271 CO 0.01 0.11 0.42 -0.63 0.00 0.00 0.00 175.10 175.00 2q3r s ILE 272 N -0.68 5.20 0.64 2.22 1.01 -0.04 -2.52 121.20 127.03 2q3r s ILE 272 Ca 0.03 0.78 -0.16 0.00 0.00 0.00 0.00 60.65 61.30 2q3r s ILE 272 Cb -0.07 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 2q3r s ILE 272 CO 0.01 0.29 1.12 -0.70 0.00 0.00 0.00 174.94 175.66 2q3r s GLU 273 N 1.00 2.89 0.78 2.79 2.56 -0.99 -4.69 118.70 123.05 2q3r s GLU 273 Ca 0.21 1.47 -0.11 0.00 0.00 0.00 0.00 54.97 56.54 2q3r s GLU 273 Cb -0.15 -1.96 0.08 0.00 2.00 0.00 0.00 34.13 34.10 2q3r s GLU 273 CO 0.08 -1.19 1.14 0.00 -0.56 0.00 0.00 175.26 174.73 2q3r s ALA 274 N -2.18 2.78 -1.06 6.30 0.00 -1.26 -4.91 121.76 121.43 2q3r s ALA 274 Ca 0.69 -0.72 -0.23 0.00 0.00 0.00 0.00 51.96 51.70 2q3r s ALA 274 Cb -0.22 -2.87 -0.05 0.00 0.00 0.00 0.00 23.12 19.98 2q3r s ALA 274 CO 0.38 -1.59 1.88 1.03 0.00 0.00 0.00 175.76 177.47 2q3r s ARG 275 N -5.50 2.72 0.00 0.00 0.52 -1.26 -5.07 118.95 110.37 2q3r s ARG 275 Ca 0.62 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 54.98 2q3r s ARG 275 Cb -0.11 -5.20 0.00 0.00 0.52 0.00 0.00 34.95 30.16 2q3r s ARG 275 CO 0.48 -3.44 0.00 0.00 0.02 0.00 0.00 175.30 172.36 2q3r n MET 276 N 8.59 0.00 -0.24 3.54 0.00 -1.26 -5.25 117.12 122.50 2q3r n MET 276 Ca 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 58.03 2q3r n MET 276 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.68 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 0.13 0.00 3.17 8.25 -1.26 -5.12 115.22 120.40 2q3r n HIS 287 Ca 0.00 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 2q3r n HIS 287 Cb 0.00 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 30.78 2q3r n HIS 287 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2q3r n THR 288 N 0.30 0.00 0.02 1.59 5.66 -1.26 -5.02 114.28 115.57 2q3r n THR 288 Ca 0.03 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.94 2q3r n THR 288 Cb 0.01 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.66 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 0.05 -0.57 1.09 4.07 -2.00 -3.39 115.31 114.57 2q3r h LEU 289 Ca 0.00 -0.08 0.11 0.00 0.08 0.00 0.00 57.88 57.99 2q3r h LEU 289 Cb 0.00 -0.02 -0.10 0.00 1.08 0.00 0.00 40.66 41.62 2q3r h LEU 289 CO 0.00 1.07 -0.09 0.24 -1.08 0.00 0.00 178.44 178.58 2q3r h MET 290 N 0.01 0.04 -0.98 1.13 2.86 -1.95 -0.30 114.93 115.74 2q3r h MET 290 Ca -0.19 -0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.56 2q3r h MET 290 Cb 1.93 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 33.50 2q3r h MET 290 CO 0.11 0.02 0.62 -1.35 1.06 0.00 0.00 176.91 177.37 2q3r h PRO 291 N 0.04 0.97 -0.20 -0.22 0.11 -2.00 0.14 132.00 130.84 2q3r h PRO 291 Ca 0.28 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.30 2q3r h PRO 291 Cb 0.44 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 2q3r h PRO 291 CO -0.55 0.64 -0.00 0.52 -0.21 0.00 0.00 178.00 178.40 2q3r h MET 292 N 0.99 0.35 -0.93 1.05 2.86 -1.33 -0.64 114.93 117.28 2q3r h MET 292 Ca 0.46 -0.11 0.05 0.00 -2.06 0.00 0.00 59.70 58.04 2q3r h MET 292 Cb 0.42 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.99 2q3r h MET 292 CO -0.22 0.55 0.61 -0.09 1.06 0.00 0.00 176.91 178.82 2q3r h ARG 293 N 0.11 1.08 0.88 1.72 9.65 -0.49 -0.99 114.38 126.34 2q3r h ARG 293 Ca 0.06 -0.07 -0.04 0.00 -1.10 0.00 0.00 59.98 58.83 2q3r h ARG 293 Cb 0.40 -0.24 0.01 0.00 -1.39 0.00 0.00 29.97 28.74 2q3r h ARG 293 CO 0.01 0.72 -0.45 0.87 2.80 0.00 0.00 179.97 183.92 2q3r h LYS 294 N 1.12 -1.17 -0.69 0.20 1.57 -0.28 -3.24 116.57 114.08 2q3r h LYS 294 Ca 0.38 0.08 0.07 0.00 -1.87 0.00 0.00 60.65 59.31 2q3r h LYS 294 Cb 0.10 0.27 -0.06 0.00 0.08 0.00 0.00 32.23 32.62 2q3r h LYS 294 CO -0.13 -0.78 0.38 0.00 -0.57 0.00 0.00 179.45 178.35 2q3r h ALA 295 N -1.39 0.94 -2.30 3.86 0.00 -0.82 -3.40 119.26 116.15 2q3r h ALA 295 Ca -0.12 0.02 -0.56 0.00 0.00 0.00 0.00 54.91 54.26 2q3r h ALA 295 Cb 0.94 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 2q3r h ALA 295 CO 0.18 0.04 0.52 0.12 0.00 0.00 0.00 179.25 180.11 2q3r s PHE 296 N -6.08 3.53 -0.16 0.00 5.36 -0.40 -4.62 117.98 115.61 2q3r s PHE 296 Ca -0.13 1.57 0.17 0.00 -0.96 0.00 0.00 56.93 57.59 2q3r s PHE 296 Cb 0.17 -3.16 -0.04 0.00 -0.34 0.00 0.00 43.02 39.65 2q3r s PHE 296 CO 0.76 -0.19 1.08 0.87 -1.46 0.00 0.00 175.22 176.28 2q3r h LYS 297 N 7.07 0.00 0.00 10.12 1.79 -1.81 -3.45 116.57 130.29 2q3r h LYS 297 Ca -0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 2q3r h LYS 297 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2q3r h LYS 297 CO 0.84 0.32 0.00 0.41 -1.08 0.00 0.00 179.45 179.94 2q3r n GLY 298 N 1.30 -1.29 3.77 3.86 0.00 -1.26 -4.99 105.19 106.58 2q3r n GLY 298 Ca -0.04 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.63 2.49 -0.05 2.61 2.01 -1.21 -4.89 115.64 115.96 2q3r s THR 299 Ca 0.00 0.44 0.06 0.00 0.31 0.00 0.00 61.69 62.50 2q3r s THR 299 Cb 0.00 -3.25 -0.01 0.00 0.01 0.00 0.00 72.50 69.24 2q3r s THR 299 CO 0.00 0.06 -0.24 0.12 -0.69 0.00 0.00 174.62 173.87 2q3r s PHE 300 N -1.25 2.33 -0.10 4.92 5.36 -1.26 -1.37 117.98 126.61 2q3r s PHE 300 Ca 0.58 -0.68 0.04 0.00 -0.96 0.00 0.00 56.93 55.91 2q3r s PHE 300 Cb -0.39 -1.53 0.00 0.00 -0.34 0.00 0.00 43.02 40.76 2q3r s PHE 300 CO 0.50 -0.20 -0.23 0.42 -1.46 0.00 0.00 175.22 174.25 2q3r s ILE 301 N -0.16 2.00 0.09 3.12 1.01 0.31 -1.69 121.20 125.87 2q3r s ILE 301 Ca -0.03 -0.99 0.07 0.00 0.00 0.00 0.00 60.65 59.71 2q3r s ILE 301 Cb -0.13 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 2q3r s ILE 301 CO 0.03 0.55 -0.13 -0.44 0.00 0.00 0.00 174.94 174.95 2q3r s SER 302 N 0.37 4.17 0.17 3.58 0.01 0.14 -0.81 113.70 121.32 2q3r s SER 302 Ca -0.19 -0.42 -0.15 0.00 1.31 0.00 0.00 55.95 56.51 2q3r s SER 302 Cb -0.18 -0.74 0.02 0.00 0.21 0.00 0.00 66.02 65.33 2q3r s SER 302 CO 0.09 0.20 0.43 0.00 0.41 0.00 0.00 173.24 174.37 2q3r s ALA 303 N -1.12 -0.71 0.00 1.44 0.00 -1.05 -0.73 121.76 119.59 2q3r s ALA 303 Ca 0.19 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.81 2q3r s ALA 303 Cb -0.11 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.82 2q3r s ALA 303 CO 0.11 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.55 2q3r n GLY 304 N -0.28 -1.10 1.03 0.00 0.00 -1.25 -2.33 105.19 101.26 2q3r n GLY 304 Ca -0.11 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 1.31 3.08 3.66 -0.02 0.00 -1.26 -4.59 105.19 107.37 2q3r n GLY 305 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.85 2.07 -3.86 1.61 3.01 -1.26 -5.00 117.46 113.18 2q3r n PHE 306 Ca 0.00 0.45 -0.26 0.00 1.01 0.00 0.00 57.45 58.65 2q3r n PHE 306 Cb 0.00 -2.45 -0.01 0.00 -0.01 0.00 0.00 39.48 37.01 2q3r n PHE 306 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2q3r s THR 307 N 0.05 1.79 0.21 4.37 -4.23 -1.26 -4.92 115.64 111.64 2q3r s THR 307 Ca 0.70 -1.48 -0.09 0.00 -1.18 0.00 0.00 61.69 59.64 2q3r s THR 307 Cb -0.68 -2.27 0.15 0.00 1.34 0.00 0.00 72.50 71.04 2q3r s THR 307 CO 0.49 0.00 1.83 -0.09 -0.54 0.00 0.00 174.62 176.30 2q3r h ARG 308 N 0.81 0.75 -0.21 3.99 2.43 -2.00 -1.86 114.38 118.29 2q3r h ARG 308 Ca -0.37 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 58.65 2q3r h ARG 308 Cb 1.30 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2q3r h ARG 308 CO 0.58 0.50 -0.27 0.93 -1.51 0.00 0.00 179.97 180.20 2q3r h GLU 309 N 0.78 0.55 -0.66 0.20 3.07 -2.00 -2.81 114.58 113.71 2q3r h GLU 309 Ca 0.30 -0.31 0.09 0.00 -0.50 0.00 0.00 59.36 58.93 2q3r h GLU 309 Cb 0.12 0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 27.98 2q3r h GLU 309 CO -0.15 0.91 0.30 -0.44 -1.40 0.00 0.00 179.01 178.23 2q3r h ASP 310 N 0.23 0.38 0.35 1.42 3.32 -1.89 -2.13 116.42 118.10 2q3r h ASP 310 Ca 0.03 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2q3r h ASP 310 Cb 0.84 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.40 2q3r h ASP 310 CO 0.06 0.22 -0.17 1.23 -1.72 0.00 0.00 179.24 178.86 2q3r h GLY 311 N 0.53 -0.49 0.07 2.75 0.00 -1.29 -1.58 103.07 103.06 2q3r h GLY 311 Ca 0.33 0.18 0.10 0.00 0.00 0.00 0.00 47.33 47.94 2q3r h GLY 311 CO -0.27 -0.18 -0.04 3.43 0.00 0.00 0.00 176.54 179.47 2q3r h ASN 312 N -0.49 -0.31 -0.10 0.19 2.35 -1.27 -0.71 115.58 115.24 2q3r h ASN 312 Ca -0.05 0.14 0.03 0.00 -0.55 0.00 0.00 56.30 55.86 2q3r h ASN 312 Cb 0.37 0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.97 2q3r h ASN 312 CO 0.08 -0.11 -0.06 -0.08 -1.65 0.00 0.00 177.43 175.61 2q3r h GLU 313 N 0.07 -0.06 -0.80 0.81 4.81 -1.19 0.16 114.58 118.37 2q3r h GLU 313 Ca 0.26 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.53 2q3r h GLU 313 Cb 0.40 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 2q3r h GLU 313 CO -0.47 -0.04 0.51 0.00 -0.73 0.00 0.00 179.01 178.28 2q3r h ALA 314 N 1.02 1.06 -0.18 2.92 0.00 -0.83 -0.91 119.26 122.35 2q3r h ALA 314 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2q3r h ALA 314 Cb 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2q3r h ALA 314 CO -0.14 0.32 -0.01 0.28 0.00 0.00 0.00 179.25 179.70 2q3r h VAL 315 N 0.99 1.26 0.80 0.00 2.07 -0.68 0.58 116.25 121.27 2q3r h VAL 315 Ca 0.32 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 2q3r h VAL 315 Cb 0.03 1.50 0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2q3r h VAL 315 CO -0.12 0.27 -0.39 0.77 0.02 0.00 0.00 177.57 178.12 2q3r h SER 316 N 0.06 -0.91 0.03 0.57 4.64 -0.32 -2.28 113.55 115.34 2q3r h SER 316 Ca 0.05 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2q3r h SER 316 Cb 0.41 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2q3r h SER 316 CO 0.01 -0.63 0.00 0.29 -0.87 0.00 0.00 176.83 175.63 2q3r n LYS 317 N -5.54 0.30 -1.99 4.77 4.76 -0.38 -4.84 118.16 115.24 2q3r n LYS 317 Ca -0.15 0.03 -0.13 0.00 -2.87 0.00 0.00 58.31 55.19 2q3r n LYS 317 Cb 0.43 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.10 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 -0.35 0.30 0.00 0.72 0.00 -0.86 -4.90 105.19 100.10 2q3r n GLY 318 Ca 0.07 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.37 0.22 -3.52 1.61 5.12 0.15 -4.84 116.66 113.04 2q3r n ARG 319 Ca -0.15 0.04 -0.08 0.00 -1.93 0.00 0.00 57.85 55.73 2q3r n ARG 319 Cb 0.56 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 30.34 2q3r n ARG 319 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2q3r s THR 320 N -2.75 0.00 -0.22 0.55 -1.32 -1.21 -4.91 115.64 105.78 2q3r s THR 320 Ca 0.20 -0.06 -0.10 0.00 -1.21 0.00 0.00 61.69 60.53 2q3r s THR 320 Cb 0.18 -1.09 -0.18 0.00 -1.51 0.00 0.00 72.50 69.90 2q3r s THR 320 CO 0.44 0.00 -0.04 0.47 -2.21 0.00 0.00 174.62 173.27 2q3r n ASP 321 N -0.27 1.98 -4.29 8.08 8.00 -0.68 -4.40 116.55 124.97 2q3r n ASP 321 Ca -0.09 0.19 -0.16 0.00 0.71 0.00 0.00 54.79 55.45 2q3r n ASP 321 Cb 0.62 -0.75 -0.10 0.00 -0.02 0.00 0.00 41.12 40.87 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 -7.21 2.50 -0.06 0.64 1.43 -0.79 -4.90 118.68 110.29 2q3r s LEU 322 Ca -0.32 -1.04 0.00 0.00 -1.03 0.00 0.00 54.13 51.74 2q3r s LEU 322 Cb 0.10 -0.42 0.02 0.00 0.03 0.00 0.00 46.19 45.92 2q3r s LEU 322 CO 0.60 -0.31 -0.04 -0.69 0.23 0.00 0.00 176.35 176.14 2q3r s VAL 323 N -3.25 0.56 -0.14 -1.59 1.01 -1.01 -0.69 120.40 115.30 2q3r s VAL 323 Ca 0.20 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 2q3r s VAL 323 Cb 0.02 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.73 2q3r s VAL 323 CO 0.03 0.26 0.21 0.00 0.00 0.00 0.00 175.10 175.60 2q3r s ALA 324 N 1.33 3.72 -0.16 5.51 0.00 0.09 -0.90 121.76 131.34 2q3r s ALA 324 Ca -0.04 -0.55 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 2q3r s ALA 324 Cb -0.14 -2.20 -0.02 0.00 0.00 0.00 0.00 23.12 20.76 2q3r s ALA 324 CO -0.02 0.31 -0.07 0.71 0.00 0.00 0.00 175.76 176.68 2q3r s TYR 325 N -0.17 2.93 0.00 0.00 2.02 -0.34 -3.77 117.35 118.01 2q3r s TYR 325 Ca 0.14 -0.60 0.00 0.00 -0.37 0.00 0.00 57.07 56.24 2q3r s TYR 325 Cb -0.13 -1.96 0.00 0.00 -0.40 0.00 0.00 41.96 39.48 2q3r s TYR 325 CO 0.03 -0.24 0.00 0.41 -1.57 0.00 0.00 175.55 174.18 2q3r n GLY 326 N 3.89 0.98 0.27 0.71 0.00 -1.26 -2.17 105.19 107.61 2q3r n GLY 326 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.22 -0.84 1.61 3.08 -1.97 -1.88 114.38 114.16 2q3r h ARG 327 Ca 0.00 0.02 0.21 0.00 0.07 0.00 0.00 59.98 60.27 2q3r h ARG 327 Cb 0.00 0.05 -0.13 0.00 0.08 0.00 0.00 29.97 29.97 2q3r h ARG 327 CO 0.00 -0.15 0.23 -1.49 -1.07 0.00 0.00 179.97 177.49 2q3r h TRP 328 N -0.23 0.35 -0.19 3.04 -0.00 -1.95 0.29 115.95 117.27 2q3r h TRP 328 Ca 0.05 0.05 -0.06 0.00 -0.00 0.00 0.00 58.89 58.92 2q3r h TRP 328 Cb 0.35 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 29.48 2q3r h TRP 328 CO -0.69 -0.15 -0.16 0.35 -0.00 0.00 0.00 178.44 177.78 2q3r h PHE 329 N 0.25 0.33 -0.55 0.49 3.04 -1.59 0.47 116.94 119.38 2q3r h PHE 329 Ca 0.51 -0.05 -0.04 0.00 3.98 0.00 0.00 57.97 62.37 2q3r h PHE 329 Cb 0.97 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.36 2q3r h PHE 329 CO -0.26 0.47 0.19 1.25 -2.02 0.00 0.00 178.31 177.94 2q3r h LEU 330 N 0.29 0.78 -0.07 0.59 6.46 0.25 -2.96 115.31 120.66 2q3r h LEU 330 Ca 0.05 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.62 2q3r h LEU 330 Cb 0.46 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 2q3r h LEU 330 CO 0.03 0.77 -0.16 0.00 -0.62 0.00 0.00 178.44 178.46 2q3r n ALA 331 N -2.37 2.77 -3.62 1.25 0.00 -0.09 -4.65 120.51 113.79 2q3r n ALA 331 Ca 0.02 -0.21 -0.29 0.00 0.00 0.00 0.00 53.44 52.96 2q3r n ALA 331 Cb 0.19 -1.34 -0.14 0.00 0.00 0.00 0.00 19.45 18.15 2q3r n ALA 331 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2q3r s ASN 332 N -2.82 3.63 0.45 0.00 0.01 0.15 -4.34 114.94 112.03 2q3r s ASN 332 Ca 0.19 -1.76 0.16 0.00 -0.71 0.00 0.00 52.86 50.74 2q3r s ASN 332 Cb 0.19 -0.64 1.10 0.00 0.41 0.00 0.00 41.25 42.31 2q3r s ASN 332 CO 0.55 -0.38 1.98 1.55 -1.51 0.00 0.00 177.10 179.29 2q3r h PRO 333 N 7.81 0.32 -1.22 -0.60 0.13 -1.83 -1.47 132.00 135.14 2q3r h PRO 333 Ca -0.10 -0.02 -0.67 0.00 -0.87 0.00 0.00 66.00 64.34 2q3r h PRO 333 Cb 0.99 -0.07 -0.32 0.00 0.13 0.00 0.00 31.00 31.73 2q3r h PRO 333 CO 0.42 0.21 0.48 -0.40 -0.23 0.00 0.00 178.00 178.48 2q3r n ASP 334 N -4.46 6.92 -0.13 1.44 3.85 -1.26 -4.13 116.55 118.78 2q3r n ASP 334 Ca 0.10 -3.79 -0.04 0.00 -0.71 0.00 0.00 54.79 50.35 2q3r n ASP 334 Cb 0.42 -0.84 0.03 0.00 -1.35 0.00 0.00 41.12 39.39 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 -0.22 -0.24 -2.12 5.85 -1.61 -1.57 115.31 117.71 2q3r h LEU 335 Ca 0.53 0.11 0.06 0.00 0.84 0.00 0.00 57.88 59.42 2q3r h LEU 335 Cb 0.78 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.93 2q3r h LEU 335 CO 1.35 -0.07 -0.18 -0.65 -0.34 0.00 0.00 178.44 178.55 2q3r h PRO 336 N 0.09 -0.16 -0.65 5.25 0.11 -1.87 -0.02 132.00 134.74 2q3r h PRO 336 Ca 0.21 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.36 2q3r h PRO 336 Cb 0.31 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.41 2q3r h PRO 336 CO -0.37 -0.11 0.41 -0.22 -0.21 0.00 0.00 178.00 177.50 2q3r h LYS 337 N -0.17 0.77 -0.38 1.05 1.63 -1.88 -0.27 116.57 117.32 2q3r h LYS 337 Ca 0.14 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.90 2q3r h LYS 337 Cb 0.38 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 2q3r h LYS 337 CO -0.35 0.51 0.23 0.00 -3.45 0.00 0.00 179.45 176.39 2q3r h ARG 338 N 0.80 0.45 0.00 1.90 3.08 -0.63 -0.87 114.38 119.11 2q3r h ARG 338 Ca 0.26 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.25 2q3r h ARG 338 Cb 0.02 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 2q3r h ARG 338 CO -0.10 0.30 -0.14 0.74 -1.07 0.00 0.00 179.97 179.70 2q3r h PHE 339 N 0.47 0.00 -0.18 3.04 0.04 -0.41 1.44 116.94 121.35 2q3r h PHE 339 Ca 0.15 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.85 2q3r h PHE 339 Cb -0.02 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 2q3r h PHE 339 CO -0.07 0.14 -0.18 0.37 -0.60 0.00 0.00 178.31 177.97 2q3r h GLN 340 N 0.00 0.30 -0.04 1.51 4.15 0.39 -3.09 115.11 118.33 2q3r h GLN 340 Ca -0.00 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2q3r h GLN 340 Cb 0.35 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.01 2q3r h GLN 340 CO 0.02 0.48 0.00 0.28 -1.93 0.00 0.00 178.83 177.68 2q3r n VAL 341 N -4.21 0.39 -3.71 2.39 0.31 -0.67 -4.98 118.33 107.85 2q3r n VAL 341 Ca -0.01 -0.69 -0.31 0.00 -0.01 0.00 0.00 64.34 63.32 2q3r n VAL 341 Cb 0.32 0.84 0.03 0.00 -0.91 0.00 0.00 33.84 34.12 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 0.00 -5.28 -4.95 4.52 -0.08 0.48 -4.97 116.55 106.27 2q3r n ASP 342 Ca 0.02 -0.98 -0.23 0.00 -1.51 0.00 0.00 54.79 52.09 2q3r n ASP 342 Cb 0.16 -2.99 -0.01 0.00 2.34 0.00 0.00 41.12 40.62 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 -3.36 3.74 0.29 -1.67 0.00 -0.29 -5.00 121.76 115.46 2q3r s ALA 343 Ca 0.37 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 51.07 2q3r s ALA 343 Cb -0.15 -2.09 -0.11 0.00 0.00 0.00 0.00 23.12 20.77 2q3r s ALA 343 CO 0.88 -0.09 1.49 -1.25 0.00 0.00 0.00 175.76 176.78 2q3r s PRO 344 N -4.36 4.21 0.07 0.00 0.04 -1.26 -4.83 135.00 128.87 2q3r s PRO 344 Ca 0.42 2.42 -0.07 0.00 0.04 0.00 0.00 61.00 63.81 2q3r s PRO 344 Cb -0.10 -3.06 -0.05 0.00 0.04 0.00 0.00 34.50 31.33 2q3r s PRO 344 CO 0.36 -0.48 0.35 -0.51 0.04 0.00 0.00 177.00 176.75 2q3r s LEU 345 N -0.75 4.33 0.52 -3.56 1.43 -1.26 -5.04 118.68 114.36 2q3r s LEU 345 Ca 0.59 0.64 -0.21 0.00 -1.03 0.00 0.00 54.13 54.12 2q3r s LEU 345 Cb -0.44 -2.98 -0.06 0.00 0.03 0.00 0.00 46.19 42.74 2q3r s LEU 345 CO 0.48 0.16 1.18 0.20 0.23 0.00 0.00 176.35 178.60 2q3r s ASN 346 N -1.96 5.77 0.53 2.29 0.01 -1.26 -5.00 114.94 115.32 2q3r s ASN 346 Ca 0.34 2.32 -0.17 0.00 -0.71 0.00 0.00 52.86 54.64 2q3r s ASN 346 Cb -0.13 -2.60 -0.07 0.00 0.41 0.00 0.00 41.25 38.86 2q3r s ASN 346 CO 0.20 -1.20 1.01 -0.54 -1.51 0.00 0.00 177.10 175.07 2q3r s LYS 347 N -3.02 3.73 -0.18 -0.60 1.02 -1.26 -4.76 119.74 114.67 2q3r s LYS 347 Ca 0.70 1.10 -0.09 0.00 0.02 0.00 0.00 55.97 57.70 2q3r s LYS 347 Cb -0.28 -2.10 -0.05 0.00 -0.52 0.00 0.00 37.83 34.88 2q3r s LYS 347 CO 0.33 -0.46 0.11 1.52 -0.92 0.00 0.00 175.35 175.93 2q3r s TYR 348 N -2.46 3.40 -0.73 3.18 -0.85 -1.26 -4.88 117.35 113.75 2q3r s TYR 348 Ca 0.62 0.30 -0.17 0.00 -0.52 0.00 0.00 57.07 57.30 2q3r s TYR 348 Cb -0.13 -2.09 0.15 0.00 0.38 0.00 0.00 41.96 40.28 2q3r s TYR 348 CO 0.31 0.35 0.78 0.34 -1.52 0.00 0.00 175.55 175.80 2q3r s ASP 349 N 0.05 6.46 0.19 -0.18 2.15 -1.26 -4.94 116.67 119.15 2q3r s ASP 349 Ca 0.08 -2.03 -0.14 0.00 0.43 0.00 0.00 52.55 50.90 2q3r s ASP 349 Cb -0.12 -2.28 0.19 0.00 -0.30 0.00 0.00 42.92 40.42 2q3r s ASP 349 CO -0.00 -0.89 1.66 0.03 -0.17 0.00 0.00 175.17 175.80 2q3r h ARG 350 N 8.60 0.04 0.00 4.34 3.08 -2.02 -0.27 114.38 128.16 2q3r h ARG 350 Ca -0.08 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2q3r h ARG 350 Cb 1.06 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.10 2q3r h ARG 350 CO 0.98 0.03 0.18 -2.30 -1.07 0.00 0.00 179.97 177.78 2q3r n PRO 351 N -5.32 0.00 0.00 0.04 -0.02 -1.26 -1.10 135.00 127.33 2q3r n PRO 351 Ca 0.06 0.27 0.01 0.00 -2.02 0.00 0.00 63.50 61.81 2q3r n PRO 351 Cb 0.28 -1.68 0.01 0.00 -0.02 0.00 0.00 33.50 32.09 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 -1.24 0.00 -0.32 3.45 -2.24 -0.12 -4.46 114.28 109.34 2q3r n THR 352 Ca 0.00 -0.49 -0.04 0.00 -2.27 0.00 0.00 64.05 61.25 2q3r n THR 352 Cb 0.18 1.04 0.08 0.00 -2.10 0.00 0.00 70.33 69.53 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 0.35 1.11 -0.44 4.78 0.04 -1.04 -3.16 116.94 118.59 2q3r h PHE 353 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 2q3r h PHE 353 Cb 0.08 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 37.86 2q3r h PHE 353 CO 0.00 0.73 0.00 0.66 -0.60 0.00 0.00 178.31 179.10 2q3r n TYR 354 N -4.45 0.71 -2.24 -0.55 4.01 -1.26 -4.74 117.16 108.64 2q3r n TYR 354 Ca 0.09 -0.55 -0.27 0.00 -0.16 0.00 0.00 57.90 57.01 2q3r n TYR 354 Cb 0.04 -0.07 0.15 0.00 -0.31 0.00 0.00 39.34 39.15 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 -1.26 2.05 -0.92 -0.72 -4.23 -1.19 -4.91 115.64 104.46 2q3r s THR 355 Ca 0.33 -0.28 0.12 0.00 -1.18 0.00 0.00 61.69 60.68 2q3r s THR 355 Cb 0.19 -2.77 0.36 0.00 1.34 0.00 0.00 72.50 71.61 2q3r s THR 355 CO 0.19 0.00 1.30 -1.54 -0.54 0.00 0.00 174.62 174.03 2q3r n SER 356 N -3.35 3.13 -4.72 3.99 3.41 -1.26 -4.85 113.62 109.96 2q3r n SER 356 Ca 0.15 -2.11 -0.42 0.00 -0.26 0.00 0.00 58.87 56.24 2q3r n SER 356 Cb 0.60 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 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 -1.09 7.18 0.00 4.04 2.15 -1.26 -4.86 116.67 122.83 2q3r s ASP 357 Ca 0.27 2.03 0.00 0.00 0.43 0.00 0.00 52.55 55.29 2q3r s ASP 357 Cb 0.16 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2q3r s ASP 357 CO 0.16 -0.34 0.68 -2.65 -0.17 0.00 0.00 175.17 172.85 2q3r n PRO 358 N 3.18 0.00 0.00 4.34 -0.02 -1.26 -4.10 135.00 137.14 2q3r n PRO 358 Ca 0.06 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 2q3r n PRO 358 Cb 0.47 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 2q3r n PRO 358 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2q3r n VAL 359 N -1.18 0.00 0.00 -1.45 0.31 -1.26 -4.67 118.33 110.07 2q3r n VAL 359 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2q3r n VAL 359 Cb 0.10 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 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 -0.60 0.00 -1.94 2.52 0.31 -1.26 0.13 118.33 117.49 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 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.00 0.89 0.00 2.92 0.00 -1.26 -4.57 105.19 103.17 2q3r n GLY 361 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.42 0.00 0.00 1.61 9.36 0.35 -4.62 117.16 121.44 2q3r n TYR 362 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2q3r n TYR 362 Cb 0.41 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.12 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 -1.37 0.00 0.29 2.97 -2.24 -1.13 -4.80 114.28 107.99 2q3r n THR 363 Ca 0.00 -0.02 0.17 0.00 -2.27 0.00 0.00 64.05 61.93 2q3r n THR 363 Cb 0.00 0.76 0.96 0.00 -2.10 0.00 0.00 70.33 69.94 2q3r n THR 363 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2q3r h ASP 364 N 0.00 0.00 -2.59 3.42 -0.00 -1.93 -3.39 116.42 111.93 2q3r h ASP 364 Ca 0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 57.03 56.48 2q3r h ASP 364 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.32 2q3r h ASP 364 CO 0.00 0.00 1.15 -0.31 -0.00 0.00 0.00 179.24 180.08 2q3r s TYR 365 N -4.54 1.88 0.45 4.15 2.02 -1.26 -4.96 117.35 115.09 2q3r s TYR 365 Ca -0.05 0.27 -0.10 0.00 -0.37 0.00 0.00 57.07 56.82 2q3r s TYR 365 Cb 0.15 -3.97 -0.06 0.00 -0.40 0.00 0.00 41.96 37.68 2q3r s TYR 365 CO 0.52 -3.75 0.81 -1.25 -1.57 0.00 0.00 175.55 170.31 2q3r s PRO 366 N 4.47 3.71 0.68 -1.71 0.04 -1.26 -4.67 135.00 136.27 2q3r s PRO 366 Ca 0.76 0.45 -0.11 0.00 0.04 0.00 0.00 61.00 62.15 2q3r s PRO 366 Cb -0.31 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 31.88 2q3r s PRO 366 CO 0.31 -0.14 1.06 -0.06 0.04 0.00 0.00 177.00 178.21 2q3r s PHE 367 N -2.55 3.32 -0.59 0.56 0.40 -1.26 -4.67 117.98 113.19 2q3r s PHE 367 Ca 0.51 1.24 -0.38 0.00 -0.60 0.00 0.00 56.93 57.70 2q3r s PHE 367 Cb -0.10 -2.91 -0.18 0.00 0.51 0.00 0.00 43.02 40.35 2q3r s PHE 367 CO 0.37 -1.09 2.31 1.28 0.70 0.00 0.00 175.22 178.78 2q3r n LEU 368 N -3.00 1.00 0.00 -0.37 4.77 -1.26 -5.09 117.00 113.04 2q3r n LEU 368 Ca 0.07 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2q3r n LEU 368 Cb 0.55 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 2q3r n LEU 368 CO 0.57 -0.79 0.00 -0.62 -1.33 0.00 0.00 177.39 175.22