#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqy s GLU 2 N 0.00 0.27 -1.68 3.49 -1.05 -1.26 -4.95 118.70 113.52 2jqy s GLU 2 Ca 0.00 0.65 -0.00 0.00 -0.15 0.00 0.00 54.97 55.47 2jqy s GLU 2 Cb 0.00 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 34.08 2jqy s GLU 2 CO 0.00 -0.12 0.04 0.54 0.95 0.00 0.00 175.26 176.67 2jqy n ARG 3 N 5.03 -1.81 0.02 -4.83 5.12 -1.26 -4.84 116.66 114.09 2jqy n ARG 3 Ca -0.08 0.96 0.00 0.00 -1.93 0.00 0.00 57.85 56.79 2jqy n ARG 3 Cb 0.53 -5.57 0.00 0.00 -1.16 0.00 0.00 32.46 26.26 2jqy n ARG 3 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2jqy n ASN 4 N -1.83 0.37 -3.23 0.55 4.13 -1.26 -5.03 115.26 108.96 2jqy n ASN 4 Ca -0.23 0.06 -0.02 0.00 1.68 0.00 0.00 54.58 56.07 2jqy n ASN 4 Cb 0.67 -0.10 -0.02 0.00 -1.54 0.00 0.00 39.78 38.79 2jqy n ASN 4 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2jqy s ASP 5 N -5.34 -0.95 -0.18 6.41 1.01 -1.26 -4.99 116.67 111.37 2jqy s ASP 5 Ca 0.00 -0.77 -0.04 0.00 0.71 0.00 0.00 52.55 52.45 2jqy s ASP 5 Cb 0.00 1.67 0.08 0.00 1.01 0.00 0.00 42.92 45.68 2jqy s ASP 5 CO 0.00 -0.21 0.20 -1.66 0.21 0.00 0.00 175.17 173.70 2jqy s TRP 6 N 1.95 -0.21 -0.35 4.23 1.48 -1.18 -3.82 118.94 121.04 2jqy s TRP 6 Ca 0.15 0.24 -0.02 0.00 -1.06 0.00 0.00 56.10 55.41 2jqy s TRP 6 Cb -0.07 -0.38 0.08 0.00 -1.16 0.00 0.00 33.47 31.94 2jqy s TRP 6 CO -0.10 -0.53 0.09 -1.01 -4.06 0.00 0.00 176.95 171.33 2jqy s HIS 7 N 2.30 3.44 -0.26 1.66 3.76 -1.10 -4.90 115.29 120.19 2jqy s HIS 7 Ca 0.05 -2.16 -0.20 0.00 -0.15 0.00 0.00 55.06 52.60 2jqy s HIS 7 Cb -0.15 -2.63 -0.02 0.00 1.11 0.00 0.00 32.58 30.89 2jqy s HIS 7 CO -0.11 -0.88 0.62 0.12 -0.85 0.00 0.00 174.74 173.64 2jqy s PHE 8 N 1.19 3.28 -0.03 1.40 2.19 0.11 -2.87 117.98 123.24 2jqy s PHE 8 Ca 0.02 0.80 0.03 0.00 0.33 0.00 0.00 56.93 58.10 2jqy s PHE 8 Cb -0.21 -2.83 0.00 0.00 -1.31 0.00 0.00 43.02 38.68 2jqy s PHE 8 CO -0.03 -0.32 -0.10 -0.80 1.83 0.00 0.00 175.22 175.80 2jqy s ASN 9 N 1.48 1.39 -0.24 6.13 0.01 -1.16 0.64 114.94 123.18 2jqy s ASN 9 Ca 0.26 -0.22 0.01 0.00 -0.71 0.00 0.00 52.86 52.19 2jqy s ASN 9 Cb -0.15 -0.42 0.04 0.00 0.41 0.00 0.00 41.25 41.12 2jqy s ASN 9 CO 0.09 0.07 -0.11 -0.63 -1.51 0.00 0.00 177.10 175.01 2jqy s ILE 10 N 0.26 2.43 -0.11 0.60 1.01 0.29 -2.64 121.20 123.04 2jqy s ILE 10 Ca -0.05 -1.26 -0.02 0.00 0.00 0.00 0.00 60.65 59.32 2jqy s ILE 10 Cb -0.10 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.06 2jqy s ILE 10 CO 0.01 0.17 -0.03 -0.83 0.00 0.00 0.00 174.94 174.25 2jqy s GLY 11 N 1.23 1.75 -0.07 6.18 0.00 0.15 -0.17 107.32 116.38 2jqy s GLY 11 Ca -0.03 -0.84 -0.03 0.00 0.00 0.00 0.00 44.72 43.83 2jqy s GLY 11 CO -0.06 -0.39 0.16 0.00 0.00 0.00 0.00 173.10 172.81 2jqy s ALA 12 N -0.35 -0.30 0.01 3.20 0.00 -0.72 0.64 121.76 124.25 2jqy s ALA 12 Ca 0.06 0.71 0.07 0.00 0.00 0.00 0.00 51.96 52.81 2jqy s ALA 12 Cb -0.12 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 2jqy s ALA 12 CO 0.02 -0.20 -0.23 1.41 0.00 0.00 0.00 175.76 176.76 2jqy s MET 13 N 1.30 1.76 -0.12 0.00 1.75 0.12 0.21 119.30 124.31 2jqy s MET 13 Ca -0.08 -0.89 0.02 0.00 -1.25 0.00 0.00 55.69 53.49 2jqy s MET 13 Cb -0.11 -1.77 -0.00 0.00 2.84 0.00 0.00 34.83 35.78 2jqy s MET 13 CO -0.06 0.48 -0.20 0.71 -0.65 0.00 0.00 175.02 175.29 2jqy s TYR 14 N -0.63 2.67 -0.16 4.11 1.51 0.55 -1.40 117.35 123.98 2jqy s TYR 14 Ca 0.09 -1.05 0.01 0.00 -1.01 0.00 0.00 57.07 55.12 2jqy s TYR 14 Cb -0.09 -1.79 0.01 0.00 -0.11 0.00 0.00 41.96 39.99 2jqy s TYR 14 CO 0.00 -0.44 -0.20 -1.21 -1.11 0.00 0.00 175.55 172.59 2jqy s GLU 15 N 0.53 3.04 -0.26 -0.62 2.02 -1.26 -2.70 118.70 119.46 2jqy s GLU 15 Ca -0.13 -0.83 0.01 0.00 0.02 0.00 0.00 54.97 54.04 2jqy s GLU 15 Cb -0.17 -2.53 0.04 0.00 0.10 0.00 0.00 34.13 31.58 2jqy s GLU 15 CO 0.04 -0.11 -0.09 0.96 0.02 0.00 0.00 175.26 176.09 2jqy s ILE 16 N 1.05 2.51 -0.39 -1.63 -4.36 -1.26 -4.58 121.20 112.54 2jqy s ILE 16 Ca -0.01 -1.34 0.04 0.00 -0.26 0.00 0.00 60.65 59.09 2jqy s ILE 16 Cb -0.14 -2.37 0.16 0.00 1.25 0.00 0.00 42.46 41.36 2jqy s ILE 16 CO -0.07 0.09 0.43 -1.61 0.24 0.00 0.00 174.94 174.02 2jqy s GLU 17 N 1.22 0.73 0.49 0.37 2.02 -1.26 -4.76 118.70 117.51 2jqy s GLU 17 Ca -0.04 -0.99 -0.09 0.00 0.02 0.00 0.00 54.97 53.87 2jqy s GLU 17 Cb -0.18 -0.67 -0.05 0.00 0.10 0.00 0.00 34.13 33.33 2jqy s GLU 17 CO -0.05 -1.23 0.85 0.54 0.02 0.00 0.00 175.26 175.39 2jqy s ASN 18 N 1.24 6.38 0.38 -0.19 2.20 -1.26 -4.75 114.94 118.94 2jqy s ASN 18 Ca 0.20 1.17 0.04 0.00 -0.94 0.00 0.00 52.86 53.33 2jqy s ASN 18 Cb -0.11 -2.35 -0.03 0.00 -2.00 0.00 0.00 41.25 36.77 2jqy s ASN 18 CO -0.05 -0.58 0.14 0.68 -2.94 0.00 0.00 177.10 174.35 2jqy s VAL 19 N -2.70 0.54 -0.11 3.54 -7.23 -1.26 -5.07 120.40 108.10 2jqy s VAL 19 Ca 0.51 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.67 2jqy s VAL 19 Cb -0.10 -2.41 -0.25 0.00 0.56 0.00 0.00 36.38 34.18 2jqy s VAL 19 CO 0.41 0.00 0.38 -1.84 -0.31 0.00 0.00 175.10 173.74 2jqy n GLU 20 N -0.83 0.72 0.00 4.82 0.28 -1.26 -4.73 120.64 119.64 2jqy n GLU 20 Ca -0.04 0.26 0.00 0.00 -0.16 0.00 0.00 57.16 57.22 2jqy n GLU 20 Cb 0.65 -1.71 0.00 0.00 1.43 0.00 0.00 31.44 31.81 2jqy n GLU 20 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jqy n GLY 21 N 1.92 0.47 3.53 -1.84 0.00 -1.26 -3.11 105.19 104.89 2jqy n GLY 21 Ca -0.30 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 2jqy n GLY 21 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jqy n TYR 22 N 0.00 4.43 0.00 1.61 4.01 -1.26 -4.76 117.16 121.19 2jqy n TYR 22 Ca 0.00 -2.72 0.00 0.00 -0.16 0.00 0.00 57.90 55.02 2jqy n TYR 22 Cb 0.00 -2.63 0.00 0.00 -0.31 0.00 0.00 39.34 36.40 2jqy n TYR 22 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jqy n GLY 23 N 5.35 0.31 2.33 2.72 0.00 -1.26 -4.64 105.19 110.00 2jqy n GLY 23 Ca 0.49 -1.39 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 2jqy n GLY 23 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jqy n GLU 24 N 0.00 3.05 -3.10 1.61 4.07 -1.26 -4.88 120.64 120.13 2jqy n GLU 24 Ca 0.00 -4.07 -0.32 0.00 -0.06 0.00 0.00 57.16 52.71 2jqy n GLU 24 Cb 0.00 -2.07 -0.05 0.00 -0.06 0.00 0.00 31.44 29.26 2jqy n GLU 24 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2jqy s ASP 25 N -3.58 6.68 0.32 4.31 1.11 -1.18 -5.09 116.67 119.23 2jqy s ASP 25 Ca 0.44 1.19 0.06 0.00 0.18 0.00 0.00 52.55 54.42 2jqy s ASP 25 Cb 0.40 -2.34 -0.06 0.00 1.07 0.00 0.00 42.92 41.99 2jqy s ASP 25 CO -0.03 -0.24 -0.02 -0.32 1.18 0.00 0.00 175.17 175.73 2jqy s MET 26 N -3.21 1.67 0.11 8.23 1.75 -1.26 -4.59 119.30 122.00 2jqy s MET 26 Ca 0.52 -1.89 0.00 0.00 -1.25 0.00 0.00 55.69 53.08 2jqy s MET 26 Cb -0.10 -1.23 0.00 0.00 2.84 0.00 0.00 34.83 36.34 2jqy s MET 26 CO 0.22 -0.02 0.00 -3.47 -0.65 0.00 0.00 175.02 171.10 2jqy n ASP 27 N -0.69 -8.84 0.00 1.11 2.03 -1.26 -5.04 116.55 103.85 2jqy n ASP 27 Ca -0.05 1.52 0.00 0.00 0.52 0.00 0.00 54.79 56.78 2jqy n ASP 27 Cb 0.65 -4.90 0.00 0.00 -0.72 0.00 0.00 41.12 36.15 2jqy n ASP 27 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jqy n GLY 28 N 1.76 -0.40 3.07 0.27 0.00 -1.26 -4.91 105.19 103.72 2jqy n GLY 28 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2jqy n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jqy s LEU 29 N -4.31 1.83 -0.29 0.99 2.34 -1.26 -2.95 118.68 115.03 2jqy s LEU 29 Ca 0.00 -0.51 -0.18 0.00 0.06 0.00 0.00 54.13 53.50 2jqy s LEU 29 Cb 0.00 -1.24 0.18 0.00 -0.56 0.00 0.00 46.19 44.58 2jqy s LEU 29 CO 0.00 -0.00 1.18 0.00 -1.06 0.00 0.00 176.35 176.47 2jqy s ALA 30 N 1.18 -2.46 -0.30 1.48 0.00 -1.24 -4.62 121.76 115.80 2jqy s ALA 30 Ca -0.01 2.01 -0.11 0.00 0.00 0.00 0.00 51.96 53.86 2jqy s ALA 30 Cb -0.14 -1.85 0.19 0.00 0.00 0.00 0.00 23.12 21.32 2jqy s ALA 30 CO -0.07 -0.30 1.03 -1.21 0.00 0.00 0.00 175.76 175.22 2jqy s GLU 31 N 0.97 0.16 0.17 0.00 0.41 -1.26 -4.69 118.70 114.46 2jqy s GLU 31 Ca -0.06 0.17 -0.31 0.00 -0.41 0.00 0.00 54.97 54.36 2jqy s GLU 31 Cb -0.03 0.08 -0.09 0.00 -1.78 0.00 0.00 34.13 32.31 2jqy s GLU 31 CO -0.12 -0.30 1.37 -1.25 -0.49 0.00 0.00 175.26 174.47 2jqy s PRO 32 N 2.95 4.34 0.34 0.39 0.04 -1.26 -4.75 135.00 137.05 2jqy s PRO 32 Ca 0.25 2.11 -0.18 0.00 0.04 0.00 0.00 61.00 63.22 2jqy s PRO 32 Cb -0.03 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.22 2jqy s PRO 32 CO -0.22 -0.36 0.80 -1.12 0.04 0.00 0.00 177.00 176.13 2jqy s SER 33 N 0.68 6.88 0.00 6.66 0.01 -0.50 -4.87 113.70 122.56 2jqy s SER 33 Ca 0.61 1.43 0.02 0.00 1.31 0.00 0.00 55.95 59.32 2jqy s SER 33 Cb -0.38 -2.43 -0.01 0.00 0.21 0.00 0.00 66.02 63.42 2jqy s SER 33 CO 0.35 -0.21 -0.08 0.54 0.41 0.00 0.00 173.24 174.26 2jqy s VAL 34 N -1.95 0.60 0.06 3.43 0.11 -1.17 0.15 120.40 121.62 2jqy s VAL 34 Ca 0.54 -0.44 0.07 0.00 -2.93 0.00 0.00 61.98 59.23 2jqy s VAL 34 Cb -0.11 -0.52 -0.03 0.00 -1.53 0.00 0.00 36.38 34.19 2jqy s VAL 34 CO 0.17 0.09 -0.21 -0.31 -3.33 0.00 0.00 175.10 171.51 2jqy s TYR 35 N -0.35 1.80 -0.20 1.54 1.51 0.21 0.16 117.35 122.02 2jqy s TYR 35 Ca 0.01 -0.38 -0.03 0.00 -1.01 0.00 0.00 57.07 55.66 2jqy s TYR 35 Cb -0.04 -1.06 0.06 0.00 -0.11 0.00 0.00 41.96 40.82 2jqy s TYR 35 CO -0.00 0.11 0.04 -0.06 -1.11 0.00 0.00 175.55 174.53 2jqy s PHE 36 N -0.87 1.05 0.20 2.71 0.40 0.20 -0.67 117.98 120.99 2jqy s PHE 36 Ca 0.07 -0.90 0.06 0.00 -0.60 0.00 0.00 56.93 55.56 2jqy s PHE 36 Cb -0.09 -1.06 -0.04 0.00 0.51 0.00 0.00 43.02 42.35 2jqy s PHE 36 CO 0.02 -0.63 0.13 -0.80 0.70 0.00 0.00 175.22 174.65 2jqy s ASN 37 N 1.85 5.39 -0.30 1.36 0.01 -1.08 0.96 114.94 123.12 2jqy s ASN 37 Ca -0.00 -0.22 -0.05 0.00 -0.71 0.00 0.00 52.86 51.88 2jqy s ASN 37 Cb -0.17 -1.35 0.17 0.00 0.41 0.00 0.00 41.25 40.30 2jqy s ASN 37 CO -0.09 0.03 0.62 0.00 -1.51 0.00 0.00 177.10 176.15 2jqy s ALA 38 N -1.90 -2.19 -0.18 0.60 0.00 0.15 -3.00 121.76 115.23 2jqy s ALA 38 Ca 0.31 2.04 -0.18 0.00 0.00 0.00 0.00 51.96 54.13 2jqy s ALA 38 Cb -0.09 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 2jqy s ALA 38 CO 0.23 -1.18 0.50 0.00 0.00 0.00 0.00 175.76 175.32 2jqy s ALA 39 N 2.87 3.53 -0.41 0.00 0.00 -1.14 -0.68 121.76 125.93 2jqy s ALA 39 Ca 0.11 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 51.72 2jqy s ALA 39 Cb -0.14 -2.77 0.14 0.00 0.00 0.00 0.00 23.12 20.36 2jqy s ALA 39 CO -0.20 -0.34 0.25 0.54 0.00 0.00 0.00 175.76 176.00 2jqy s ASN 40 N 1.03 3.18 1.69 0.00 4.22 0.42 -2.72 114.94 122.75 2jqy s ASN 40 Ca 0.24 -2.53 0.00 0.00 -2.14 0.00 0.00 52.86 48.43 2jqy s ASN 40 Cb -0.15 -0.73 0.00 0.00 1.28 0.00 0.00 41.25 41.65 2jqy s ASN 40 CO 0.10 -0.27 0.00 0.61 -2.04 0.00 0.00 177.10 175.50 2jqy n GLY 41 N 3.63 3.16 0.87 0.45 0.00 -1.25 -2.24 105.19 109.80 2jqy n GLY 41 Ca 0.13 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.01 2jqy n GLY 41 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jqy n PRO 42 N 13.38 2.22 -3.70 1.61 -0.04 -1.26 -4.75 135.00 142.45 2jqy n PRO 42 Ca 0.00 -1.11 -0.21 0.00 -0.04 0.00 0.00 63.50 62.13 2jqy n PRO 42 Cb 0.00 -1.63 -0.18 0.00 -0.04 0.00 0.00 33.50 31.65 2jqy n PRO 42 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2jqy s TRP 43 N -1.65 0.29 -0.28 0.54 0.52 -0.95 -3.13 118.94 114.27 2jqy s TRP 43 Ca 0.20 0.08 0.00 0.00 0.02 0.00 0.00 56.10 56.40 2jqy s TRP 43 Cb 0.14 -0.61 0.06 0.00 -1.15 0.00 0.00 33.47 31.91 2jqy s TRP 43 CO 0.08 -0.26 -0.04 0.50 0.02 0.00 0.00 176.95 177.25 2jqy s ARG 44 N 2.10 2.33 0.16 4.98 3.52 -1.11 -0.44 118.95 130.48 2jqy s ARG 44 Ca 0.05 -1.32 -0.21 0.00 -0.13 0.00 0.00 55.73 54.13 2jqy s ARG 44 Cb -0.12 -3.06 -0.08 0.00 -1.56 0.00 0.00 34.95 30.13 2jqy s ARG 44 CO -0.04 -0.61 0.68 0.42 -0.81 0.00 0.00 175.30 174.94 2jqy s ILE 45 N 1.18 4.59 -0.30 4.11 1.01 0.14 -1.74 121.20 130.18 2jqy s ILE 45 Ca -0.06 1.34 -0.03 0.00 0.00 0.00 0.00 60.65 61.89 2jqy s ILE 45 Cb -0.20 -3.94 0.11 0.00 0.01 0.00 0.00 42.46 38.44 2jqy s ILE 45 CO -0.03 0.40 0.15 0.00 0.00 0.00 0.00 174.94 175.46 2jqy s ALA 46 N -1.29 0.70 -0.31 9.38 0.00 0.16 0.33 121.76 130.74 2jqy s ALA 46 Ca 0.36 -1.27 -0.14 0.00 0.00 0.00 0.00 51.96 50.91 2jqy s ALA 46 Cb -0.19 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 2jqy s ALA 46 CO 0.22 -1.75 0.34 -0.51 0.00 0.00 0.00 175.76 174.06 2jqy s LEU 47 N 1.87 4.25 0.31 0.00 1.02 0.27 -1.00 118.68 125.41 2jqy s LEU 47 Ca 0.11 -0.04 0.10 0.00 0.02 0.00 0.00 54.13 54.32 2jqy s LEU 47 Cb -0.18 -2.33 -0.05 0.00 0.02 0.00 0.00 46.19 43.65 2jqy s LEU 47 CO -0.29 -0.25 -0.07 0.00 0.02 0.00 0.00 176.35 175.76 2jqy s ALA 48 N 2.00 3.02 -0.19 4.21 0.00 0.14 0.62 121.76 131.55 2jqy s ALA 48 Ca 0.12 -1.92 0.00 0.00 0.00 0.00 0.00 51.96 50.16 2jqy s ALA 48 Cb -0.16 -0.33 0.04 0.00 0.00 0.00 0.00 23.12 22.67 2jqy s ALA 48 CO 0.11 0.16 -0.09 0.71 0.00 0.00 0.00 175.76 176.65 2jqy s TYR 49 N -2.51 2.19 -0.24 0.00 2.02 0.12 -0.44 117.35 118.49 2jqy s TYR 49 Ca 0.32 -1.43 0.02 0.00 -0.37 0.00 0.00 57.07 55.61 2jqy s TYR 49 Cb -0.02 -1.53 0.05 0.00 -0.40 0.00 0.00 41.96 40.06 2jqy s TYR 49 CO 0.18 -0.70 -0.10 -0.47 -1.57 0.00 0.00 175.55 172.88 2jqy s TYR 50 N 1.47 2.90 -0.02 2.71 5.04 -1.10 -3.02 117.35 125.34 2jqy s TYR 50 Ca -0.01 -2.04 -0.12 0.00 -2.44 0.00 0.00 57.07 52.47 2jqy s TYR 50 Cb -0.16 -1.80 0.02 0.00 0.35 0.00 0.00 41.96 40.37 2jqy s TYR 50 CO -0.08 -0.83 0.25 -0.65 -1.34 0.00 0.00 175.55 172.90 2jqy s GLN 51 N 1.23 0.57 0.08 4.97 -0.21 -1.26 -0.23 119.66 124.81 2jqy s GLN 51 Ca -0.06 -0.20 -0.09 0.00 0.02 0.00 0.00 55.36 55.03 2jqy s GLN 51 Cb -0.19 0.25 0.00 0.00 1.00 0.00 0.00 33.01 34.08 2jqy s GLN 51 CO -0.06 -0.15 0.20 -2.00 -2.12 0.00 0.00 175.29 171.16 2jqy s GLU 52 N -1.19 0.82 0.00 2.91 -6.30 -1.22 -4.67 118.70 109.06 2jqy s GLU 52 Ca -0.12 -0.88 0.00 0.00 -2.50 0.00 0.00 54.97 51.47 2jqy s GLU 52 Cb -0.06 0.34 0.00 0.00 0.00 0.00 0.00 34.13 34.41 2jqy s GLU 52 CO 0.03 -0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.46 2jqy n GLY 53 N 0.08 -0.02 3.77 -1.50 0.00 -1.26 -4.44 105.19 101.82 2jqy n GLY 53 Ca -0.16 -1.10 -0.39 0.00 0.00 0.00 0.00 46.02 44.37 2jqy n GLY 53 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jqy s PRO 54 N -2.00 4.21 0.21 1.61 0.04 -1.25 -3.67 135.00 134.15 2jqy s PRO 54 Ca 0.00 1.96 0.06 0.00 0.04 0.00 0.00 61.00 63.06 2jqy s PRO 54 Cb 0.00 -2.86 0.14 0.00 0.04 0.00 0.00 34.50 31.82 2jqy s PRO 54 CO 0.00 -0.22 1.48 0.28 0.04 0.00 0.00 177.00 178.58 2jqy h VAL 55 N 2.63 1.48 -4.34 -0.36 2.07 -1.81 -3.46 116.25 112.47 2jqy h VAL 55 Ca -0.49 -2.41 -0.47 0.00 0.82 0.00 0.00 66.70 64.15 2jqy h VAL 55 Cb 1.23 2.30 0.09 0.00 -1.52 0.00 0.00 31.29 33.39 2jqy h VAL 55 CO 0.64 0.70 0.35 -1.81 0.02 0.00 0.00 177.57 177.47 2jqy s ASP 56 N -6.87 4.78 0.49 0.57 1.01 -1.26 -5.09 116.67 110.30 2jqy s ASP 56 Ca -0.02 0.75 0.08 0.00 0.71 0.00 0.00 52.55 54.07 2jqy s ASP 56 Cb 0.11 -1.35 0.03 0.00 1.01 0.00 0.00 42.92 42.72 2jqy s ASP 56 CO 0.80 -1.70 0.55 -0.31 0.21 0.00 0.00 175.17 174.72 2jqy s TYR 57 N -3.43 2.08 0.52 4.23 1.51 -1.26 -5.10 117.35 115.89 2jqy s TYR 57 Ca 0.61 -0.63 -0.18 0.00 -1.01 0.00 0.00 57.07 55.86 2jqy s TYR 57 Cb -0.11 -2.17 -0.07 0.00 -0.11 0.00 0.00 41.96 39.51 2jqy s TYR 57 CO 0.48 -0.58 1.03 -1.54 -1.11 0.00 0.00 175.55 173.83 2jqy s SER 58 N -4.37 6.24 0.06 2.29 1.04 -1.26 -4.99 113.70 112.70 2jqy s SER 58 Ca 0.51 1.81 0.00 0.00 0.48 0.00 0.00 55.95 58.75 2jqy s SER 58 Cb -0.05 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2jqy s SER 58 CO 0.31 -0.85 0.00 0.00 0.98 0.00 0.00 173.24 173.68 2jqy n ALA 59 N -1.41 3.00 -1.02 5.32 0.00 -1.26 -5.01 120.51 120.13 2jqy n ALA 59 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2jqy n ALA 59 Cb 0.53 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.25 2jqy n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jqy n GLY 60 N 2.57 1.34 2.86 0.00 0.00 -1.26 -5.00 105.19 105.70 2jqy n GLY 60 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2jqy n GLY 60 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jqy s LYS 61 N 0.00 0.74 0.03 1.61 2.20 -1.26 -5.16 119.74 117.91 2jqy s LYS 61 Ca 0.00 -0.57 -0.29 0.00 -0.36 0.00 0.00 55.97 54.75 2jqy s LYS 61 Cb 0.00 0.01 0.10 0.00 -1.51 0.00 0.00 37.83 36.43 2jqy s LYS 61 CO 0.00 -0.96 1.20 0.50 -0.36 0.00 0.00 175.35 175.72 2jqy s ARG 62 N 1.28 0.63 0.00 4.03 3.00 -1.26 -5.02 118.95 121.61 2jqy s ARG 62 Ca 0.23 -0.36 0.00 0.00 -1.00 0.00 0.00 55.73 54.61 2jqy s ARG 62 Cb 0.02 0.21 0.00 0.00 0.00 0.00 0.00 34.95 35.18 2jqy s ARG 62 CO -0.08 -0.29 0.00 0.41 0.00 0.00 0.00 175.30 175.34 2jqy n GLY 63 N -0.52 0.97 2.84 8.12 0.00 -1.26 -4.64 105.19 110.71 2jqy n GLY 63 Ca -0.07 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 2jqy n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jqy s THR 64 N -2.00 0.90 0.00 2.61 2.01 -1.26 -4.39 115.64 113.50 2jqy s THR 64 Ca 0.00 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.49 2jqy s THR 64 Cb 0.00 -1.13 0.00 0.00 0.01 0.00 0.00 72.50 71.38 2jqy s THR 64 CO 0.00 0.09 0.34 0.79 -0.69 0.00 0.00 174.62 175.14 2jqy n TRP 65 N 4.95 0.00 -2.10 4.92 8.01 -1.26 -4.86 117.44 127.10 2jqy n TRP 65 Ca -0.11 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.08 2jqy n TRP 65 Cb 0.48 -0.44 0.00 0.00 -2.01 0.00 0.00 31.31 29.34 2jqy n TRP 65 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 2jqy n PHE 66 N -1.82 -4.57 -3.06 -5.99 3.72 -1.26 -4.34 117.46 100.14 2jqy n PHE 66 Ca 0.00 2.74 0.10 0.00 -0.05 0.00 0.00 57.45 60.23 2jqy n PHE 66 Cb 0.00 -3.65 -0.02 0.00 -0.94 0.00 0.00 39.48 34.87 2jqy n PHE 66 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2jqy n ASP 67 N 1.74 -6.85 -3.43 4.37 9.92 -0.57 -3.37 116.55 118.35 2jqy n ASP 67 Ca 0.00 0.76 -0.02 0.00 -0.53 0.00 0.00 54.79 55.00 2jqy n ASP 67 Cb 0.00 -2.14 0.02 0.00 -0.64 0.00 0.00 41.12 38.36 2jqy n ASP 67 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2jqy n ARG 68 N -2.99 0.55 -0.05 -1.24 1.74 0.68 -4.73 116.66 110.61 2jqy n ARG 68 Ca 0.00 -1.33 -0.04 0.00 -0.77 0.00 0.00 57.85 55.72 2jqy n ARG 68 Cb 0.32 1.85 0.03 0.00 -1.02 0.00 0.00 32.46 33.65 2jqy n ARG 68 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2jqy n PRO 69 N -0.77 -2.05 -3.60 5.56 -0.02 -1.26 -2.71 135.00 130.15 2jqy n PRO 69 Ca -0.01 -0.18 -0.11 0.00 -2.02 0.00 0.00 63.50 61.17 2jqy n PRO 69 Cb 0.58 -0.22 -0.06 0.00 -0.02 0.00 0.00 33.50 33.78 2jqy n PRO 69 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2jqy s GLU 70 N -3.26 0.66 0.24 -0.52 -1.05 0.42 -4.17 118.70 111.00 2jqy s GLU 70 Ca 0.08 0.46 0.12 0.00 -0.15 0.00 0.00 54.97 55.48 2jqy s GLU 70 Cb -0.01 0.31 -0.05 0.00 -0.44 0.00 0.00 34.13 33.94 2jqy s GLU 70 CO 0.07 -0.14 -0.22 -0.51 0.95 0.00 0.00 175.26 175.40 2jqy s LEU 71 N -0.37 2.52 -0.01 1.83 1.02 -1.13 0.23 118.68 122.77 2jqy s LEU 71 Ca -0.01 -0.94 -0.12 0.00 0.02 0.00 0.00 54.13 53.08 2jqy s LEU 71 Cb -0.03 -1.14 0.02 0.00 0.02 0.00 0.00 46.19 45.06 2jqy s LEU 71 CO -0.01 0.08 0.25 -0.70 0.02 0.00 0.00 176.35 175.99 2jqy s GLU 72 N -3.08 0.59 0.04 1.70 2.12 -0.17 -1.63 118.70 118.27 2jqy s GLU 72 Ca 0.25 -0.24 0.03 0.00 0.36 0.00 0.00 54.97 55.37 2jqy s GLU 72 Cb -0.06 0.26 -0.02 0.00 0.26 0.00 0.00 34.13 34.56 2jqy s GLU 72 CO 0.12 -0.15 -0.09 0.08 -0.54 0.00 0.00 175.26 174.68 2jqy s VAL 73 N -1.29 0.63 -0.11 3.70 1.01 -0.80 -0.66 120.40 122.87 2jqy s VAL 73 Ca -0.13 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.84 2jqy s VAL 73 Cb -0.06 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.67 2jqy s VAL 73 CO 0.03 -0.30 -0.19 -1.00 0.00 0.00 0.00 175.10 173.65 2jqy s HIS 74 N -1.22 2.27 -0.45 5.22 3.76 -0.71 0.10 115.29 124.25 2jqy s HIS 74 Ca -0.07 -1.06 -0.09 0.00 -0.15 0.00 0.00 55.06 53.69 2jqy s HIS 74 Cb -0.09 -1.58 0.11 0.00 1.11 0.00 0.00 32.58 32.13 2jqy s HIS 74 CO 0.01 -0.50 0.31 0.71 -0.85 0.00 0.00 174.74 174.42 2jqy s TYR 75 N 0.80 3.41 -0.62 1.40 1.51 0.12 -2.77 117.35 121.21 2jqy s TYR 75 Ca -0.09 -1.82 -0.23 0.00 -1.01 0.00 0.00 57.07 53.92 2jqy s TYR 75 Cb -0.16 -3.32 0.06 0.00 -0.11 0.00 0.00 41.96 38.43 2jqy s TYR 75 CO 0.00 -0.95 0.95 -0.65 -1.11 0.00 0.00 175.55 173.80 2jqy s GLN 76 N 1.36 3.19 -0.11 -0.62 -0.21 -1.18 -1.80 119.66 120.29 2jqy s GLN 76 Ca 0.05 -0.62 -0.15 0.00 0.02 0.00 0.00 55.36 54.65 2jqy s GLN 76 Cb -0.25 -4.16 -0.13 0.00 1.00 0.00 0.00 33.01 29.46 2jqy s GLN 76 CO -0.00 -1.69 0.46 0.35 -2.12 0.00 0.00 175.29 172.29 2jqy h PHE 77 N 9.48 -0.04 -3.36 0.91 3.57 -1.87 -3.46 116.94 122.16 2jqy h PHE 77 Ca -0.28 -0.00 -0.39 0.00 3.53 0.00 0.00 57.97 60.83 2jqy h PHE 77 Cb 1.07 0.01 -0.37 0.00 2.79 0.00 0.00 35.95 39.46 2jqy h PHE 77 CO 0.95 0.45 -0.75 -1.17 -2.23 0.00 0.00 178.31 175.55 2jqy s LEU 78 N -8.49 0.73 -0.62 0.59 0.20 -1.16 -5.01 118.68 104.92 2jqy s LEU 78 Ca -0.10 -0.03 -0.10 0.00 0.69 0.00 0.00 54.13 54.59 2jqy s LEU 78 Cb -0.01 -0.29 0.16 0.00 -0.43 0.00 0.00 46.19 45.61 2jqy s LEU 78 CO 0.36 -0.17 0.51 -0.70 -0.29 0.00 0.00 176.35 176.07 2jqy s GLU 79 N 1.62 2.90 0.01 1.98 -6.30 -1.26 -0.69 118.70 116.97 2jqy s GLU 79 Ca -0.01 -2.13 0.04 0.00 -2.50 0.00 0.00 54.97 50.37 2jqy s GLU 79 Cb -0.13 -4.09 -0.01 0.00 0.00 0.00 0.00 34.13 29.90 2jqy s GLU 79 CO -0.03 -1.24 -0.13 1.21 0.02 0.00 0.00 175.26 175.09 2jqy s ASN 80 N 2.24 1.49 0.54 -1.70 3.84 -1.23 -4.96 114.94 115.16 2jqy s ASN 80 Ca 0.11 -0.33 0.32 0.00 0.21 0.00 0.00 52.86 53.17 2jqy s ASN 80 Cb -0.21 -0.13 1.44 0.00 -0.55 0.00 0.00 41.25 41.80 2jqy s ASN 80 CO -0.03 0.08 2.02 -0.78 -2.79 0.00 0.00 177.10 175.61 2jqy h ASP 81 N 5.40 0.00 -0.09 -4.21 1.82 -1.96 -2.28 116.42 115.11 2jqy h ASP 81 Ca -0.35 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.29 2jqy h ASP 81 Cb 1.17 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.18 2jqy h ASP 81 CO 0.47 0.08 0.00 -0.90 -1.61 0.00 0.00 179.24 177.27 2jqy n ASP 82 N -3.29 2.32 -2.67 2.28 5.75 -1.26 -3.98 116.55 115.71 2jqy n ASP 82 Ca -0.01 -2.14 -0.04 0.00 -0.01 0.00 0.00 54.79 52.59 2jqy n ASP 82 Cb 0.28 -0.12 0.07 0.00 -1.03 0.00 0.00 41.12 40.33 2jqy n ASP 82 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2jqy n PHE 83 N -0.35 -0.61 -3.43 2.11 7.35 -1.04 -4.07 117.46 117.41 2jqy n PHE 83 Ca 0.05 -0.71 -0.40 0.00 -0.76 0.00 0.00 57.45 55.63 2jqy n PHE 83 Cb 0.35 1.10 -0.10 0.00 0.35 0.00 0.00 39.48 41.19 2jqy n PHE 83 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2jqy s SER 84 N -0.11 6.16 -0.22 -2.13 0.15 -0.67 -3.47 113.70 113.40 2jqy s SER 84 Ca 0.26 -0.20 -0.06 0.00 0.70 0.00 0.00 55.95 56.65 2jqy s SER 84 Cb 0.19 -2.18 -0.03 0.00 -1.71 0.00 0.00 66.02 62.29 2jqy s SER 84 CO -0.09 -0.29 0.04 0.12 1.20 0.00 0.00 173.24 174.22 2jqy s PHE 85 N 1.96 3.08 0.22 3.44 5.36 0.14 -1.71 117.98 130.46 2jqy s PHE 85 Ca 0.11 -0.39 0.05 0.00 -0.96 0.00 0.00 56.93 55.74 2jqy s PHE 85 Cb -0.17 -2.16 -0.05 0.00 -0.34 0.00 0.00 43.02 40.31 2jqy s PHE 85 CO 0.11 -0.26 -0.05 0.20 -1.46 0.00 0.00 175.22 173.77 2jqy s GLY 86 N 1.22 1.46 -0.29 13.12 0.00 0.32 -2.64 107.32 120.52 2jqy s GLY 86 Ca 0.04 -1.71 -0.00 0.00 0.00 0.00 0.00 44.72 43.05 2jqy s GLY 86 CO 0.02 -1.68 0.55 -2.27 0.00 0.00 0.00 173.10 169.73 2jqy s LEU 87 N -3.29 -1.27 0.42 0.66 1.98 -0.74 -0.60 118.68 115.83 2jqy s LEU 87 Ca 0.25 0.59 -0.04 0.00 -2.89 0.00 0.00 54.13 52.05 2jqy s LEU 87 Cb 0.04 1.92 -0.04 0.00 0.66 0.00 0.00 46.19 48.77 2jqy s LEU 87 CO 0.07 -0.28 0.69 0.42 -1.89 0.00 0.00 176.35 175.36 2jqy s THR 88 N 2.79 4.97 -0.30 3.68 -4.23 -1.05 0.13 115.64 121.63 2jqy s THR 88 Ca 0.17 0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.70 2jqy s THR 88 Cb -0.14 -3.84 0.19 0.00 1.34 0.00 0.00 72.50 70.05 2jqy s THR 88 CO -0.21 -0.69 0.65 -0.83 -0.54 0.00 0.00 174.62 173.00 2jqy s GLY 89 N -3.92 -1.01 0.32 3.99 0.00 0.28 -2.84 107.32 104.14 2jqy s GLY 89 Ca 0.45 1.74 0.02 0.00 0.00 0.00 0.00 44.72 46.94 2jqy s GLY 89 CO 0.40 3.52 0.08 0.61 0.00 0.00 0.00 173.10 177.70 2jqy n GLY 90 N 5.42 3.55 3.04 0.20 0.00 -0.69 -1.91 105.19 114.80 2jqy n GLY 90 Ca 0.00 -2.13 -0.24 0.00 0.00 0.00 0.00 46.02 43.65 2jqy n GLY 90 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jqy s PHE 91 N -2.57 1.37 -0.17 1.61 0.40 -0.65 -2.57 117.98 115.41 2jqy s PHE 91 Ca 0.11 -0.44 -0.01 0.00 -0.60 0.00 0.00 56.93 55.98 2jqy s PHE 91 Cb 0.01 -0.98 -0.01 0.00 0.51 0.00 0.00 43.02 42.54 2jqy s PHE 91 CO 0.08 -0.21 -0.10 0.50 0.70 0.00 0.00 175.22 176.19 2jqy s ARG 92 N 0.41 3.36 -0.58 0.44 3.52 0.30 -2.82 118.95 123.59 2jqy s ARG 92 Ca -0.09 -0.67 -0.18 0.00 -0.13 0.00 0.00 55.73 54.66 2jqy s ARG 92 Cb -0.13 -2.76 0.11 0.00 -1.56 0.00 0.00 34.95 30.61 2jqy s ARG 92 CO 0.02 0.04 0.65 1.21 -0.81 0.00 0.00 175.30 176.42 2jqy s ASN 93 N 0.80 6.19 -0.48 -2.12 2.47 -1.26 -1.17 114.94 119.38 2jqy s ASN 93 Ca -0.04 -1.54 -0.17 0.00 0.42 0.00 0.00 52.86 51.54 2jqy s ASN 93 Cb -0.15 -2.28 0.06 0.00 -1.45 0.00 0.00 41.25 37.43 2jqy s ASN 93 CO 0.01 -1.05 0.47 -0.47 -3.72 0.00 0.00 177.10 172.34 2jqy s TYR 94 N 2.39 3.17 -4.37 0.43 6.14 -0.74 -4.08 117.35 120.31 2jqy s TYR 94 Ca 0.09 -0.73 0.00 0.00 0.64 0.00 0.00 57.07 57.08 2jqy s TYR 94 Cb -0.26 -3.24 0.00 0.00 0.42 0.00 0.00 41.96 38.89 2jqy s TYR 94 CO 0.05 -0.86 0.00 0.41 0.64 0.00 0.00 175.55 175.80 2jqy n GLY 95 N 5.18 -1.40 3.28 8.97 0.00 -1.26 -2.11 105.19 117.86 2jqy n GLY 95 Ca -0.10 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 2jqy n GLY 95 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jqy s TYR 96 N -2.98 -0.17 0.52 1.61 1.13 -0.55 -1.51 117.35 115.39 2jqy s TYR 96 Ca 0.00 0.08 0.07 0.00 -1.41 0.00 0.00 57.07 55.82 2jqy s TYR 96 Cb 0.00 0.14 0.04 0.00 -1.10 0.00 0.00 41.96 41.04 2jqy s TYR 96 CO 0.00 -0.52 0.52 -1.01 -2.51 0.00 0.00 175.55 172.03 2jqy s HIS 97 N -2.45 1.85 0.47 -3.49 3.76 -1.26 0.60 115.29 114.77 2jqy s HIS 97 Ca -0.06 -0.71 0.07 0.00 -0.15 0.00 0.00 55.06 54.22 2jqy s HIS 97 Cb -0.01 -2.08 0.01 0.00 1.11 0.00 0.00 32.58 31.61 2jqy s HIS 97 CO -0.03 -0.59 0.44 1.52 -0.85 0.00 0.00 174.74 175.23 2jqy s TYR 98 N -2.66 2.25 -0.18 1.40 1.13 -0.06 -4.18 117.35 115.05 2jqy s TYR 98 Ca 0.46 -0.62 0.14 0.00 -1.41 0.00 0.00 57.07 55.64 2jqy s TYR 98 Cb -0.04 -2.11 -0.23 0.00 -1.10 0.00 0.00 41.96 38.48 2jqy s TYR 98 CO 0.28 -0.35 0.12 1.55 -2.51 0.00 0.00 175.55 174.65 2jqy n VAL 99 N -1.69 1.45 0.00 -3.49 3.14 -1.26 -4.96 118.33 111.52 2jqy n VAL 99 Ca 0.04 -0.80 0.00 0.00 -2.96 0.00 0.00 64.34 60.62 2jqy n VAL 99 Cb 0.62 -0.74 0.00 0.00 -1.06 0.00 0.00 33.84 32.66 2jqy n VAL 99 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2jqy n ASP 100 N -2.90 0.00 -4.35 6.55 2.03 -1.26 -5.00 116.55 111.63 2jqy n ASP 100 Ca -0.33 0.00 -0.45 0.00 0.52 0.00 0.00 54.79 54.53 2jqy n ASP 100 Cb 1.11 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.46 2jqy n ASP 100 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2jqy s GLU 101 N -0.94 3.02 -0.57 -0.67 2.02 -1.26 -5.02 118.70 115.28 2jqy s GLU 101 Ca 0.00 -1.49 -0.27 0.00 0.02 0.00 0.00 54.97 53.23 2jqy s GLU 101 Cb 0.00 -4.27 -0.03 0.00 0.10 0.00 0.00 34.13 29.93 2jqy s GLU 101 CO 0.00 -1.42 1.92 -1.25 0.02 0.00 0.00 175.26 174.53 2jqy s PRO 102 N 2.14 2.63 0.00 0.39 0.04 -1.26 -4.64 135.00 134.30 2jqy s PRO 102 Ca 0.07 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.88 2jqy s PRO 102 Cb -0.27 -4.39 0.00 0.00 0.04 0.00 0.00 34.50 29.88 2jqy s PRO 102 CO 0.05 -2.72 0.00 0.41 0.04 0.00 0.00 177.00 174.78 2jqy n GLY 103 N 5.71 -0.15 1.16 0.56 0.00 -1.26 -4.97 105.19 106.24 2jqy n GLY 103 Ca 0.22 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.28 2jqy n GLY 103 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jqy n LYS 104 N -2.47 1.01 -3.22 1.61 2.85 -1.26 -4.88 118.16 111.80 2jqy n LYS 104 Ca 0.00 -2.79 -0.24 0.00 -1.05 0.00 0.00 58.31 54.23 2jqy n LYS 104 Cb 0.00 -0.95 -0.07 0.00 -0.65 0.00 0.00 35.03 33.36 2jqy n LYS 104 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2jqy n ASP 105 N -0.38 0.84 -3.65 -5.58 2.03 -1.26 -5.07 116.55 103.49 2jqy n ASP 105 Ca 0.14 -2.86 -0.05 0.00 0.52 0.00 0.00 54.79 52.54 2jqy n ASP 105 Cb 0.91 -0.64 -0.06 0.00 -0.72 0.00 0.00 41.12 40.60 2jqy n ASP 105 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2jqy s THR 106 N -1.59 -0.35 -0.29 5.18 2.01 -1.18 -0.88 115.64 118.55 2jqy s THR 106 Ca 0.37 0.01 -0.16 0.00 0.31 0.00 0.00 61.69 62.22 2jqy s THR 106 Cb 0.19 -0.97 0.16 0.00 0.01 0.00 0.00 72.50 71.90 2jqy s THR 106 CO -0.09 0.00 1.05 0.00 -0.69 0.00 0.00 174.62 174.89 2jqy s ALA 107 N 2.07 -2.41 -0.28 7.40 0.00 0.20 -4.76 121.76 123.97 2jqy s ALA 107 Ca -0.08 2.14 -0.03 0.00 0.00 0.00 0.00 51.96 53.99 2jqy s ALA 107 Cb -0.08 -1.80 0.11 0.00 0.00 0.00 0.00 23.12 21.35 2jqy s ALA 107 CO -0.19 -0.38 0.20 -0.80 0.00 0.00 0.00 175.76 174.59 2jqy s ASN 108 N 1.33 2.68 -0.05 0.00 0.01 -1.26 -1.48 114.94 116.17 2jqy s ASN 108 Ca -0.08 -1.02 0.04 0.00 -0.71 0.00 0.00 52.86 51.08 2jqy s ASN 108 Cb -0.03 0.03 -0.00 0.00 0.41 0.00 0.00 41.25 41.65 2jqy s ASN 108 CO -0.14 -0.41 -0.18 -0.04 -1.51 0.00 0.00 177.10 174.82 2jqy s MET 109 N 2.22 1.96 0.23 -0.60 -1.94 -0.90 -4.30 119.30 115.97 2jqy s MET 109 Ca 0.09 -0.64 -0.19 0.00 -1.71 0.00 0.00 55.69 53.24 2jqy s MET 109 Cb -0.15 -1.66 -0.08 0.00 2.01 0.00 0.00 34.83 34.95 2jqy s MET 109 CO -0.34 0.22 0.72 -0.65 -0.01 0.00 0.00 175.02 174.96 2jqy s GLN 110 N 0.13 4.22 -0.10 2.03 -0.21 -0.60 -1.78 119.66 123.35 2jqy s GLN 110 Ca -0.07 0.84 -0.03 0.00 0.02 0.00 0.00 55.36 56.12 2jqy s GLN 110 Cb -0.13 -2.84 0.05 0.00 1.00 0.00 0.00 33.01 31.09 2jqy s GLN 110 CO 0.03 0.37 0.14 1.03 -2.12 0.00 0.00 175.29 174.75 2jqy s ARG 111 N -2.07 0.03 0.32 2.91 1.81 -0.31 -1.19 118.95 120.45 2jqy s ARG 111 Ca 0.44 0.41 -0.14 0.00 -1.72 0.00 0.00 55.73 54.72 2jqy s ARG 111 Cb -0.16 -0.62 -0.08 0.00 -0.45 0.00 0.00 34.95 33.63 2jqy s ARG 111 CO 0.21 -0.40 0.71 -0.46 -0.68 0.00 0.00 175.30 174.68 2jqy s TRP 112 N 2.26 3.39 -0.22 -0.53 -0.00 -0.66 0.11 118.94 123.28 2jqy s TRP 112 Ca 0.04 1.15 -0.04 0.00 -0.00 0.00 0.00 56.10 57.25 2jqy s TRP 112 Cb -0.13 -2.48 0.09 0.00 -0.00 0.00 0.00 33.47 30.94 2jqy s TRP 112 CO -0.06 0.10 0.15 -1.59 -0.00 0.00 0.00 176.95 175.55 2jqy s LYS 113 N -3.03 0.15 0.02 5.86 -2.85 -1.06 -2.76 119.74 116.07 2jqy s LYS 113 Ca 0.53 -0.13 0.04 0.00 -1.00 0.00 0.00 55.97 55.41 2jqy s LYS 113 Cb -0.10 -1.39 -0.04 0.00 -2.06 0.00 0.00 37.83 34.24 2jqy s LYS 113 CO 0.19 -0.79 -0.05 0.42 0.10 0.00 0.00 175.35 175.22 2jqy s ILE 114 N 2.20 3.75 -0.39 3.79 1.01 -0.76 -1.70 121.20 129.10 2jqy s ILE 114 Ca 0.06 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.91 2jqy s ILE 114 Cb -0.16 -2.67 0.16 0.00 0.01 0.00 0.00 42.46 39.80 2jqy s ILE 114 CO -0.19 0.33 0.31 0.00 0.00 0.00 0.00 174.94 175.38 2jqy s ALA 115 N -1.07 0.88 -0.79 9.38 0.00 -1.13 -2.57 121.76 126.45 2jqy s ALA 115 Ca 0.19 -1.99 -0.26 0.00 0.00 0.00 0.00 51.96 49.91 2jqy s ALA 115 Cb -0.11 -1.69 -0.12 0.00 0.00 0.00 0.00 23.12 21.20 2jqy s ALA 115 CO 0.10 -2.05 2.33 -2.14 0.00 0.00 0.00 175.76 174.00 2jqy s PRO 116 N 0.63 1.77 -0.23 0.00 0.02 -1.25 -2.54 135.00 133.40 2jqy s PRO 116 Ca 0.25 0.42 -0.28 0.00 0.02 0.00 0.00 61.00 61.41 2jqy s PRO 116 Cb -0.09 -4.81 -0.04 0.00 0.02 0.00 0.00 34.50 29.58 2jqy s PRO 116 CO -0.09 -4.22 2.04 0.34 -0.33 0.00 0.00 177.00 174.73 2jqy s ASP 117 N 10.49 5.72 -0.17 2.53 -1.08 0.23 -4.17 116.67 130.22 2jqy s ASP 117 Ca 0.89 1.78 -0.00 0.00 -0.52 0.00 0.00 52.55 54.70 2jqy s ASP 117 Cb -0.12 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 2jqy s ASP 117 CO 0.08 -1.77 -0.15 0.86 0.52 0.00 0.00 175.17 174.71 2jqy s TRP 118 N 7.38 2.80 -0.09 -5.34 -0.00 -0.59 0.12 118.94 123.21 2jqy s TRP 118 Ca 0.92 -1.22 -0.00 0.00 -0.00 0.00 0.00 56.10 55.80 2jqy s TRP 118 Cb -0.30 -1.93 0.02 0.00 -0.00 0.00 0.00 33.47 31.26 2jqy s TRP 118 CO 0.35 -0.59 -0.06 0.34 -0.00 0.00 0.00 176.95 176.99 2jqy s ASP 119 N 1.06 1.86 -0.09 5.86 -1.08 -0.70 -0.55 116.67 123.03 2jqy s ASP 119 Ca -0.01 -0.23 0.00 0.00 -0.52 0.00 0.00 52.55 51.80 2jqy s ASP 119 Cb -0.14 -0.70 0.02 0.00 -1.46 0.00 0.00 42.92 40.64 2jqy s ASP 119 CO -0.04 -0.11 -0.08 -0.69 0.52 0.00 0.00 175.17 174.76 2jqy s VAL 120 N 1.58 0.93 -0.19 1.11 1.01 -1.17 -1.68 120.40 122.00 2jqy s VAL 120 Ca 0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 2jqy s VAL 120 Cb -0.13 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 2jqy s VAL 120 CO -0.05 0.34 -0.02 -0.75 0.00 0.00 0.00 175.10 174.61 2jqy s LYS 121 N 1.36 3.58 -0.23 2.72 2.47 -1.26 -0.78 119.74 127.61 2jqy s LYS 121 Ca -0.02 -0.55 -0.01 0.00 -1.56 0.00 0.00 55.97 53.83 2jqy s LYS 121 Cb -0.14 -3.00 -0.14 0.00 -1.46 0.00 0.00 37.83 33.09 2jqy s LYS 121 CO -0.04 0.05 -0.22 1.28 0.16 0.00 0.00 175.35 176.58 2jqy n LEU 122 N 4.12 2.74 0.00 5.43 4.32 -1.22 -4.80 117.00 127.60 2jqy n LEU 122 Ca -0.17 -0.04 -0.08 0.00 -0.02 0.00 0.00 56.01 55.69 2jqy n LEU 122 Cb 0.52 -0.76 0.01 0.00 -1.62 0.00 0.00 43.42 41.56 2jqy n LEU 122 CO 0.31 0.81 0.31 0.35 -1.22 0.00 0.00 177.39 177.95 2jqy n THR 123 N -3.32 0.00 -1.43 -5.08 -2.24 -1.25 -5.03 114.28 95.92 2jqy n THR 123 Ca -0.41 -0.96 -0.36 0.00 -2.27 0.00 0.00 64.05 60.05 2jqy n THR 123 Cb 0.90 0.78 -0.04 0.00 -2.10 0.00 0.00 70.33 69.88 2jqy n THR 123 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2jqy n ASP 124 N -1.51 8.17 0.00 3.42 5.75 -1.26 -3.73 116.55 127.39 2jqy n ASP 124 Ca -0.04 -2.71 0.00 0.00 -0.01 0.00 0.00 54.79 52.03 2jqy n ASP 124 Cb 0.45 -1.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.05 2jqy n ASP 124 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2jqy n ASP 125 N 2.96 0.00 -4.49 -1.12 -0.08 -1.26 -5.00 116.55 107.56 2jqy n ASP 125 Ca 0.71 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 53.55 2jqy n ASP 125 Cb 0.32 0.02 -0.05 0.00 2.34 0.00 0.00 41.12 43.75 2jqy n ASP 125 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2jqy s LEU 126 N -3.89 4.49 -0.16 -2.67 1.02 -1.24 -3.75 118.68 112.47 2jqy s LEU 126 Ca 0.00 -0.58 -0.04 0.00 0.02 0.00 0.00 54.13 53.53 2jqy s LEU 126 Cb 0.00 -2.67 -0.03 0.00 0.02 0.00 0.00 46.19 43.52 2jqy s LEU 126 CO 0.00 -1.06 -0.03 -0.60 0.02 0.00 0.00 176.35 174.68 2jqy s ARG 127 N 3.33 3.67 0.03 1.70 3.00 -0.35 -3.40 118.95 126.93 2jqy s ARG 127 Ca 0.24 -0.51 -0.08 0.00 -1.00 0.00 0.00 55.73 54.37 2jqy s ARG 127 Cb -0.15 -2.95 -0.05 0.00 0.00 0.00 0.00 34.95 31.80 2jqy s ARG 127 CO 0.16 0.21 0.32 0.12 0.00 0.00 0.00 175.30 176.10 2jqy s PHE 128 N 0.46 3.59 -0.07 5.12 5.36 0.04 -0.94 117.98 131.54 2jqy s PHE 128 Ca -0.03 0.66 -0.03 0.00 -0.96 0.00 0.00 56.93 56.57 2jqy s PHE 128 Cb -0.14 -2.06 0.04 0.00 -0.34 0.00 0.00 43.02 40.52 2jqy s PHE 128 CO 0.03 0.58 0.13 -0.80 -1.46 0.00 0.00 175.22 173.70 2jqy s ASN 129 N -1.68 0.62 -0.14 6.13 0.01 0.19 -3.03 114.94 117.04 2jqy s ASN 129 Ca 0.29 0.27 0.03 0.00 -0.71 0.00 0.00 52.86 52.73 2jqy s ASN 129 Cb -0.14 0.17 0.01 0.00 0.41 0.00 0.00 41.25 41.70 2jqy s ASN 129 CO 0.16 -0.22 -0.22 -0.83 -1.51 0.00 0.00 177.10 174.48 2jqy s GLY 130 N 2.00 1.36 -0.13 0.66 0.00 0.28 0.10 107.32 111.59 2jqy s GLY 130 Ca 0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 44.72 43.62 2jqy s GLY 130 CO -0.05 -0.03 -0.03 -0.98 0.00 0.00 0.00 173.10 172.01 2jqy s TRP 131 N 0.81 1.29 -0.51 1.90 0.51 0.54 -1.55 118.94 121.93 2jqy s TRP 131 Ca -0.07 -0.73 -0.10 0.00 -2.12 0.00 0.00 56.10 53.07 2jqy s TRP 131 Cb -0.16 -1.12 0.13 0.00 -0.81 0.00 0.00 33.47 31.51 2jqy s TRP 131 CO -0.02 -0.52 0.39 -0.51 -0.51 0.00 0.00 176.95 175.79 2jqy s LEU 132 N 1.77 5.79 -0.71 2.99 1.02 -1.26 0.62 118.68 128.91 2jqy s LEU 132 Ca 0.03 -1.99 -0.27 0.00 0.02 0.00 0.00 54.13 51.92 2jqy s LEU 132 Cb -0.14 -2.04 0.02 0.00 0.02 0.00 0.00 46.19 44.05 2jqy s LEU 132 CO -0.07 -0.69 1.43 -0.55 0.02 0.00 0.00 176.35 176.49 2jqy s SER 133 N 2.65 5.93 -0.05 2.29 0.15 0.29 -3.96 113.70 121.00 2jqy s SER 133 Ca 0.07 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.49 2jqy s SER 133 Cb -0.25 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.47 2jqy s SER 133 CO -0.01 -1.98 -0.10 -0.32 1.20 0.00 0.00 173.24 172.04 2jqy s MET 134 N 6.07 2.62 0.05 5.44 0.00 -1.06 -1.10 119.30 131.32 2jqy s MET 134 Ca 0.43 -0.63 -0.08 0.00 0.00 0.00 0.00 55.69 55.42 2jqy s MET 134 Cb -0.09 -2.50 -0.00 0.00 0.00 0.00 0.00 34.83 32.24 2jqy s MET 134 CO 0.16 0.64 0.15 0.71 0.00 0.00 0.00 175.02 176.69 2jqy s TYR 135 N -0.81 0.13 -0.24 4.11 1.51 -0.77 -1.83 117.35 119.45 2jqy s TYR 135 Ca 0.13 -0.41 -0.03 0.00 -1.01 0.00 0.00 57.07 55.75 2jqy s TYR 135 Cb -0.11 -0.08 0.12 0.00 -0.11 0.00 0.00 41.96 41.78 2jqy s TYR 135 CO 0.02 -0.42 0.29 0.21 -1.11 0.00 0.00 175.55 174.53 2jqy s LYS 136 N -2.79 0.27 -0.15 -0.62 2.20 -1.11 -2.32 119.74 115.22 2jqy s LYS 136 Ca -0.03 0.19 -0.14 0.00 -0.36 0.00 0.00 55.97 55.63 2jqy s LYS 136 Cb -0.00 -0.85 -0.05 0.00 -1.51 0.00 0.00 37.83 35.42 2jqy s LYS 136 CO -0.05 -0.76 0.29 -0.59 -0.36 0.00 0.00 175.35 173.88 2jqy s PHE 137 N 2.40 3.48 0.36 4.03 -0.12 -1.26 -1.65 117.98 125.21 2jqy s PHE 137 Ca 0.09 0.61 -0.02 0.00 -0.05 0.00 0.00 56.93 57.56 2jqy s PHE 137 Cb -0.15 -2.33 0.01 0.00 -0.63 0.00 0.00 43.02 39.92 2jqy s PHE 137 CO -0.19 0.27 0.51 0.00 -0.05 0.00 0.00 175.22 175.76 2jqy s ALA 138 N 0.35 0.76 0.29 1.99 0.00 -0.33 -4.92 121.76 119.90 2jqy s ALA 138 Ca 0.17 -1.53 0.02 0.00 0.00 0.00 0.00 51.96 50.62 2jqy s ALA 138 Cb -0.13 1.12 -0.05 0.00 0.00 0.00 0.00 23.12 24.06 2jqy s ALA 138 CO 0.04 -0.81 0.09 1.21 0.00 0.00 0.00 175.76 176.30 2jqy s ASN 139 N -3.25 1.70 0.24 0.00 2.47 -1.26 -1.55 114.94 113.29 2jqy s ASN 139 Ca 0.30 -1.42 0.06 0.00 0.42 0.00 0.00 52.86 52.22 2jqy s ASN 139 Cb -0.01 0.12 0.27 0.00 -1.45 0.00 0.00 41.25 40.18 2jqy s ASN 139 CO 0.21 -0.72 1.57 0.44 -3.72 0.00 0.00 177.10 174.88 2jqy h ASP 140 N 2.24 0.20 -0.15 -4.21 3.32 -2.00 -3.05 116.42 112.77 2jqy h ASP 140 Ca -0.38 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 56.49 2jqy h ASP 140 Cb 1.25 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 2jqy h ASP 140 CO 0.63 0.76 -0.09 -0.07 -1.72 0.00 0.00 179.24 178.75 2jqy h LEU 141 N 0.13 0.46 -2.12 1.55 3.38 -1.96 -3.48 115.31 113.26 2jqy h LEU 141 Ca -0.01 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2jqy h LEU 141 Cb 1.12 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 2jqy h LEU 141 CO 0.09 0.60 -1.11 0.59 0.09 0.00 0.00 178.44 178.70 2jqy n ASN 142 N -4.23 -6.60 -0.07 -0.43 4.13 -1.15 -5.01 115.26 101.90 2jqy n ASN 142 Ca 0.01 1.42 -0.04 0.00 1.68 0.00 0.00 54.58 57.65 2jqy n ASN 142 Cb 0.30 -5.33 -0.01 0.00 -1.54 0.00 0.00 39.78 33.20 2jqy n ASN 142 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 2jqy h THR 143 N 3.24 0.00 0.00 3.41 1.35 -1.94 -3.44 112.91 115.53 2jqy h THR 143 Ca -0.11 -0.98 -0.25 0.00 -0.55 0.00 0.00 66.41 64.52 2jqy h THR 143 Cb 0.24 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 66.61 2jqy h THR 143 CO 0.08 0.00 -1.95 0.35 -0.25 0.00 0.00 175.52 173.76 2jqy n THR 144 N -4.60 0.95 -0.99 6.82 -2.24 -1.26 -5.01 114.28 107.95 2jqy n THR 144 Ca -0.06 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2jqy n THR 144 Cb 0.21 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 2jqy n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jqy n GLY 145 N 2.49 0.93 2.70 3.38 0.00 -1.26 -4.87 105.19 108.56 2jqy n GLY 145 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2jqy n GLY 145 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jqy s TYR 146 N -3.75 -0.19 -0.09 1.61 6.14 -1.26 -5.14 117.35 114.66 2jqy s TYR 146 Ca 0.00 -0.00 -0.05 0.00 0.64 0.00 0.00 57.07 57.66 2jqy s TYR 146 Cb 0.00 0.04 0.04 0.00 0.42 0.00 0.00 41.96 42.46 2jqy s TYR 146 CO 0.00 -0.14 0.21 0.00 0.64 0.00 0.00 175.55 176.26 2jqy s ALA 147 N 1.65 -0.46 -0.41 3.97 0.00 -1.26 -4.99 121.76 120.27 2jqy s ALA 147 Ca 0.17 0.86 -0.13 0.00 0.00 0.00 0.00 51.96 52.86 2jqy s ALA 147 Cb 0.07 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.66 2jqy s ALA 147 CO -0.14 -0.18 0.49 -3.47 0.00 0.00 0.00 175.76 172.46 2jqy n ASP 148 N 4.11 -7.93 -4.81 0.00 -0.08 -1.23 -4.92 116.55 101.68 2jqy n ASP 148 Ca -0.25 0.69 -0.36 0.00 -1.51 0.00 0.00 54.79 53.37 2jqy n ASP 148 Cb 0.53 -5.36 -0.06 0.00 2.34 0.00 0.00 41.12 38.57 2jqy n ASP 148 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2jqy s THR 149 N -2.43 4.54 -0.32 5.18 -4.23 -1.26 -4.82 115.64 112.31 2jqy s THR 149 Ca 0.20 1.32 -0.11 0.00 -1.18 0.00 0.00 61.69 61.93 2jqy s THR 149 Cb -0.06 -3.86 -0.01 0.00 1.34 0.00 0.00 72.50 69.91 2jqy s THR 149 CO 0.77 0.18 0.18 -0.13 -0.54 0.00 0.00 174.62 175.08 2jqy s ARG 150 N -2.03 3.44 -0.26 3.99 1.81 -0.98 -4.55 118.95 120.37 2jqy s ARG 150 Ca 0.44 -0.66 -0.02 0.00 -1.72 0.00 0.00 55.73 53.77 2jqy s ARG 150 Cb -0.17 -3.64 0.12 0.00 -0.45 0.00 0.00 34.95 30.81 2jqy s ARG 150 CO 0.21 -0.40 0.25 0.08 -0.68 0.00 0.00 175.30 174.76 2jqy s VAL 151 N 1.66 -0.35 -0.08 3.52 1.01 -1.26 -1.85 120.40 123.06 2jqy s VAL 151 Ca 0.05 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.68 2jqy s VAL 151 Cb -0.17 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.33 2jqy s VAL 151 CO 0.08 -0.41 -0.19 -1.61 0.00 0.00 0.00 175.10 172.97 2jqy s GLU 152 N 2.33 2.48 -0.06 2.72 2.02 -0.26 -2.62 118.70 125.32 2jqy s GLU 152 Ca 0.09 -0.69 -0.03 0.00 0.02 0.00 0.00 54.97 54.36 2jqy s GLU 152 Cb -0.15 -1.93 -0.04 0.00 0.10 0.00 0.00 34.13 32.12 2jqy s GLU 152 CO -0.26 0.12 0.10 0.99 0.02 0.00 0.00 175.26 176.23 2jqy s THR 153 N 0.46 5.00 -0.23 3.63 2.01 -0.82 0.11 115.64 125.80 2jqy s THR 153 Ca -0.17 -0.15 -0.03 0.00 0.31 0.00 0.00 61.69 61.65 2jqy s THR 153 Cb -0.17 -3.23 0.07 0.00 0.01 0.00 0.00 72.50 69.18 2jqy s THR 153 CO 0.07 0.48 0.07 -1.61 -0.69 0.00 0.00 174.62 172.94 2jqy s GLU 154 N -1.39 0.46 -0.48 4.92 2.02 0.20 -2.16 118.70 122.27 2jqy s GLU 154 Ca 0.19 -0.48 -0.15 0.00 0.02 0.00 0.00 54.97 54.55 2jqy s GLU 154 Cb -0.12 -1.86 0.09 0.00 0.10 0.00 0.00 34.13 32.33 2jqy s GLU 154 CO 0.10 -0.77 0.41 0.99 0.02 0.00 0.00 175.26 176.00 2jqy s THR 155 N 1.92 5.14 -0.14 3.63 2.01 -1.14 -0.34 115.64 126.72 2jqy s THR 155 Ca 0.03 -1.20 -0.06 0.00 0.31 0.00 0.00 61.69 60.78 2jqy s THR 155 Cb -0.17 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 2jqy s THR 155 CO -0.16 -0.64 0.06 -0.83 -0.69 0.00 0.00 174.62 172.36 2jqy s GLY 156 N 2.78 1.94 -0.13 4.40 0.00 0.28 -2.07 107.32 114.52 2jqy s GLY 156 Ca 0.04 -0.74 0.02 0.00 0.00 0.00 0.00 44.72 44.04 2jqy s GLY 156 CO 0.05 -0.23 -0.19 -2.27 0.00 0.00 0.00 173.10 170.46 2jqy s LEU 157 N -0.31 1.97 -0.25 0.66 0.20 -1.03 0.54 118.68 120.45 2jqy s LEU 157 Ca 0.08 -0.55 -0.07 0.00 0.69 0.00 0.00 54.13 54.29 2jqy s LEU 157 Cb -0.12 -1.33 -0.02 0.00 -0.43 0.00 0.00 46.19 44.29 2jqy s LEU 157 CO 0.02 0.05 0.06 -1.10 -0.29 0.00 0.00 176.35 175.08 2jqy s GLN 158 N 0.93 3.54 -0.21 1.98 1.11 -0.12 -2.30 119.66 124.60 2jqy s GLN 158 Ca -0.06 -0.55 -0.01 0.00 0.01 0.00 0.00 55.36 54.76 2jqy s GLN 158 Cb -0.15 -3.29 0.06 0.00 -1.01 0.00 0.00 33.01 28.62 2jqy s GLN 158 CO -0.03 -0.22 -0.01 -0.47 0.01 0.00 0.00 175.29 174.56 2jqy s TYR 159 N 1.58 1.70 -0.13 0.91 5.04 -1.14 -1.21 117.35 124.11 2jqy s TYR 159 Ca 0.06 -1.28 -0.25 0.00 -2.44 0.00 0.00 57.07 53.16 2jqy s TYR 159 Cb -0.15 -1.30 -0.02 0.00 0.35 0.00 0.00 41.96 40.84 2jqy s TYR 159 CO 0.03 -0.68 0.81 0.95 -1.34 0.00 0.00 175.55 175.31 2jqy s THR 160 N 1.63 4.92 0.51 4.34 -4.23 -1.25 -2.36 115.64 119.20 2jqy s THR 160 Ca -0.03 1.62 0.18 0.00 -1.18 0.00 0.00 61.69 62.27 2jqy s THR 160 Cb -0.18 -4.13 0.26 0.00 1.34 0.00 0.00 72.50 69.80 2jqy s THR 160 CO -0.07 0.10 2.12 0.15 -0.54 0.00 0.00 174.62 176.38 2jqy h PHE 161 N 7.15 0.00 -0.10 3.99 3.57 -1.76 -3.31 116.94 126.48 2jqy h PHE 161 Ca -0.33 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 60.98 2jqy h PHE 161 Cb 1.16 0.00 -0.20 0.00 2.79 0.00 0.00 35.95 39.70 2jqy h PHE 161 CO 0.70 0.05 -0.45 -1.71 -2.23 0.00 0.00 178.31 174.66 2jqy n ASN 162 N -4.38 -0.90 -3.01 0.41 5.15 -1.26 -5.04 115.26 106.22 2jqy n ASN 162 Ca -0.03 -2.22 -0.09 0.00 -0.60 0.00 0.00 54.58 51.65 2jqy n ASN 162 Cb 0.13 0.48 0.01 0.00 -0.53 0.00 0.00 39.78 39.87 2jqy n ASN 162 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2jqy n GLU 163 N -1.26 -1.97 0.00 1.20 0.00 -1.25 -4.82 120.64 112.54 2jqy n GLU 163 Ca -0.11 1.81 0.00 0.00 0.00 0.00 0.00 57.16 58.85 2jqy n GLU 163 Cb 0.86 -5.28 0.00 0.00 0.00 0.00 0.00 31.44 27.02 2jqy n GLU 163 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2jqy n THR 164 N -0.88 0.00 -3.61 6.31 5.66 -1.26 -5.10 114.28 115.40 2jqy n THR 164 Ca 0.04 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.65 2jqy n THR 164 Cb 0.50 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.17 2jqy n THR 164 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2jqy s VAL 165 N 0.00 4.66 0.29 1.08 -7.23 -1.26 -4.67 120.40 113.27 2jqy s VAL 165 Ca 0.00 -0.61 0.10 0.00 -1.81 0.00 0.00 61.98 59.66 2jqy s VAL 165 Cb 0.00 -3.49 -0.05 0.00 0.56 0.00 0.00 36.38 33.40 2jqy s VAL 165 CO 0.00 -0.09 -0.16 0.00 -0.31 0.00 0.00 175.10 174.55 2jqy s ALA 166 N 1.60 2.69 -0.10 1.32 0.00 -1.23 -1.81 121.76 124.23 2jqy s ALA 166 Ca 0.04 -1.91 -0.03 0.00 0.00 0.00 0.00 51.96 50.06 2jqy s ALA 166 Cb -0.18 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 2jqy s ALA 166 CO 0.07 0.18 0.01 -0.48 0.00 0.00 0.00 175.76 175.54 2jqy s LEU 167 N -3.51 3.64 -0.31 0.00 2.34 -1.00 -2.69 118.68 117.16 2jqy s LEU 167 Ca 0.30 0.15 -0.07 0.00 0.06 0.00 0.00 54.13 54.56 2jqy s LEU 167 Cb -0.02 -1.84 0.01 0.00 -0.56 0.00 0.00 46.19 43.78 2jqy s LEU 167 CO 0.14 0.36 0.10 -0.60 -1.06 0.00 0.00 176.35 175.29 2jqy s ARG 168 N -0.74 3.00 -0.49 1.48 3.52 -1.10 -2.87 118.95 121.75 2jqy s ARG 168 Ca 0.12 -0.92 -0.12 0.00 -0.13 0.00 0.00 55.73 54.67 2jqy s ARG 168 Cb -0.12 -3.43 0.12 0.00 -1.56 0.00 0.00 34.95 29.96 2jqy s ARG 168 CO 0.02 -0.50 0.40 0.08 -0.81 0.00 0.00 175.30 174.49 2jqy s VAL 169 N 1.49 4.66 -0.02 7.11 1.01 -0.97 -1.43 120.40 132.26 2jqy s VAL 169 Ca 0.02 -1.59 -0.12 0.00 0.00 0.00 0.00 61.98 60.29 2jqy s VAL 169 Cb -0.18 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 2jqy s VAL 169 CO 0.03 -0.77 0.33 0.20 0.00 0.00 0.00 175.10 174.89 2jqy s ASN 170 N 2.97 6.67 -0.22 3.32 -0.87 -1.11 -2.48 114.94 123.22 2jqy s ASN 170 Ca 0.04 0.80 0.00 0.00 -1.57 0.00 0.00 52.86 52.13 2jqy s ASN 170 Cb -0.27 -2.19 0.03 0.00 -0.02 0.00 0.00 41.25 38.80 2jqy s ASN 170 CO 0.01 0.33 -0.13 -0.31 -2.57 0.00 0.00 177.10 174.44 2jqy s TYR 171 N -1.11 2.97 0.07 2.20 2.02 -0.88 -2.78 117.35 119.85 2jqy s TYR 171 Ca 0.22 -1.67 -0.23 0.00 -0.37 0.00 0.00 57.07 55.02 2jqy s TYR 171 Cb -0.15 -1.98 -0.06 0.00 -0.40 0.00 0.00 41.96 39.37 2jqy s TYR 171 CO 0.11 -0.77 0.71 -0.47 -1.57 0.00 0.00 175.55 173.56 2jqy s TYR 172 N 1.28 3.78 -0.32 2.71 5.04 -0.94 -2.90 117.35 126.00 2jqy s TYR 172 Ca 0.01 1.44 -0.01 0.00 -2.44 0.00 0.00 57.07 56.07 2jqy s TYR 172 Cb -0.15 -2.73 0.13 0.00 0.35 0.00 0.00 41.96 39.56 2jqy s TYR 172 CO -0.08 0.39 0.21 -1.17 -1.34 0.00 0.00 175.55 173.57 2jqy s LEU 173 N -0.49 0.52 -0.30 6.97 2.96 -0.92 -1.73 118.68 125.69 2jqy s LEU 173 Ca 0.35 -1.59 -0.15 0.00 -0.22 0.00 0.00 54.13 52.52 2jqy s LEU 173 Cb -0.21 -0.13 -0.03 0.00 0.50 0.00 0.00 46.19 46.33 2jqy s LEU 173 CO 0.22 -0.36 0.37 -1.61 -1.32 0.00 0.00 176.35 173.65 2jqy s GLU 174 N 1.66 3.83 -0.04 1.98 2.02 -0.93 -1.95 118.70 125.27 2jqy s GLU 174 Ca 0.14 -0.15 -0.02 0.00 0.02 0.00 0.00 54.97 54.96 2jqy s GLU 174 Cb -0.18 -3.72 0.03 0.00 0.10 0.00 0.00 34.13 30.36 2jqy s GLU 174 CO -0.18 -0.38 0.05 -0.98 0.02 0.00 0.00 175.26 173.80 2jqy s ARG 175 N 2.06 -0.06 0.14 1.61 1.70 -1.08 -2.34 118.95 120.98 2jqy s ARG 175 Ca 0.14 0.33 0.02 0.00 -0.47 0.00 0.00 55.73 55.75 2jqy s ARG 175 Cb -0.16 -0.45 -0.01 0.00 -0.57 0.00 0.00 34.95 33.76 2jqy s ARG 175 CO 0.11 -0.29 0.15 0.41 -1.08 0.00 0.00 175.30 174.59 2jqy n GLY 176 N 5.03 3.31 2.98 3.88 0.00 -1.26 -4.10 105.19 115.04 2jqy n GLY 176 Ca -0.09 -1.68 -0.24 0.00 0.00 0.00 0.00 46.02 44.01 2jqy n GLY 176 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jqy s PHE 177 N -3.01 1.29 0.02 1.61 0.08 -1.26 -4.55 117.98 112.16 2jqy s PHE 177 Ca 0.16 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 56.75 2jqy s PHE 177 Cb 0.00 -0.99 -0.01 0.00 -0.57 0.00 0.00 43.02 41.45 2jqy s PHE 177 CO 0.11 -0.27 -0.06 -0.80 -0.10 0.00 0.00 175.22 174.09 2jqy s ASN 178 N 0.80 0.70 1.19 1.36 0.01 -1.26 -3.51 114.94 114.23 2jqy s ASN 178 Ca -0.12 -0.29 -0.10 0.00 -0.71 0.00 0.00 52.86 51.64 2jqy s ASN 178 Cb -0.15 -0.02 0.16 0.00 0.41 0.00 0.00 41.25 41.64 2jqy s ASN 178 CO 0.02 -0.06 0.37 0.23 -1.51 0.00 0.00 177.10 176.16 2jqy n MET 179 N 2.30 -3.05 -3.94 -0.60 2.81 -1.26 -4.51 117.12 108.88 2jqy n MET 179 Ca -0.17 -0.62 -0.30 0.00 -1.81 0.00 0.00 57.70 54.80 2jqy n MET 179 Cb 0.57 -0.78 -0.14 0.00 -0.71 0.00 0.00 33.22 32.16 2jqy n MET 179 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2jqy s ASP 180 N -2.49 4.29 -0.65 7.83 1.01 -1.26 -4.57 116.67 120.83 2jqy s ASP 180 Ca 0.28 -2.94 -0.11 0.00 0.71 0.00 0.00 52.55 50.49 2jqy s ASP 180 Cb -0.05 -1.60 0.17 0.00 1.01 0.00 0.00 42.92 42.45 2jqy s ASP 180 CO 0.23 -0.24 0.54 -0.62 0.21 0.00 0.00 175.17 175.29 2jqy s ASP 181 N -0.18 6.06 -1.69 0.27 2.15 -1.26 -4.55 116.67 117.47 2jqy s ASP 181 Ca 0.17 -2.39 -0.01 0.00 0.43 0.00 0.00 52.55 50.75 2jqy s ASP 181 Cb -0.25 -2.08 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 2jqy s ASP 181 CO -0.00 -0.60 0.14 -0.24 -0.17 0.00 0.00 175.17 174.30 2jqy n SER 182 N 4.30 -5.86 -2.81 -0.34 2.88 -1.26 -4.96 113.62 105.57 2jqy n SER 182 Ca 0.03 -0.08 -0.14 0.00 -1.33 0.00 0.00 58.87 57.35 2jqy n SER 182 Cb 0.42 -4.83 -0.03 0.00 -0.75 0.00 0.00 64.21 59.02 2jqy n SER 182 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jqy n ARG 183 N -3.19 0.59 -2.38 -1.46 5.12 -1.26 -5.08 116.66 108.99 2jqy n ARG 183 Ca -0.21 -2.57 -0.01 0.00 -1.93 0.00 0.00 57.85 53.13 2jqy n ARG 183 Cb 0.67 2.41 0.06 0.00 -1.16 0.00 0.00 32.46 34.44 2jqy n ARG 183 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2jqy n ASN 184 N -1.71 -0.14 -1.75 0.55 3.02 -1.26 -4.88 115.26 109.10 2jqy n ASN 184 Ca 0.02 -2.10 0.02 0.00 -0.03 0.00 0.00 54.58 52.48 2jqy n ASN 184 Cb 0.52 0.14 0.05 0.00 -0.61 0.00 0.00 39.78 39.89 2jqy n ASN 184 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2jqy n ASN 185 N -0.81 1.40 0.10 6.41 4.05 -1.26 -4.90 115.26 120.24 2jqy n ASN 185 Ca -0.09 -2.30 -0.13 0.00 0.45 0.00 0.00 54.58 52.51 2jqy n ASN 185 Cb 0.86 -0.37 -0.08 0.00 1.23 0.00 0.00 39.78 41.41 2jqy n ASN 185 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 2jqy h GLY 186 N 1.45 -0.25 -6.15 8.20 0.00 -1.81 -3.41 103.07 101.09 2jqy h GLY 186 Ca -0.15 0.09 -0.58 0.00 0.00 0.00 0.00 47.33 46.68 2jqy h GLY 186 CO 0.14 -0.09 0.68 -0.54 0.00 0.00 0.00 176.54 176.73 2jqy s GLU 187 N -4.92 3.91 0.33 4.80 2.02 -1.26 -4.14 118.70 119.44 2jqy s GLU 187 Ca -0.15 0.73 -0.15 0.00 0.02 0.00 0.00 54.97 55.43 2jqy s GLU 187 Cb 0.03 -3.78 0.03 0.00 0.10 0.00 0.00 34.13 30.50 2jqy s GLU 187 CO 0.61 -0.94 0.68 0.12 0.02 0.00 0.00 175.26 175.75 2jqy s PHE 188 N 3.56 0.18 -0.28 1.61 5.36 -1.26 -5.13 117.98 122.01 2jqy s PHE 188 Ca 0.41 -0.69 0.00 0.00 -0.96 0.00 0.00 56.93 55.69 2jqy s PHE 188 Cb -0.12 0.59 0.14 0.00 -0.34 0.00 0.00 43.02 43.29 2jqy s PHE 188 CO 0.18 -1.33 0.36 -1.54 -1.46 0.00 0.00 175.22 171.43 2jqy s SER 189 N -3.04 0.81 0.36 6.13 1.04 -1.26 -4.35 113.70 113.39 2jqy s SER 189 Ca 0.17 -0.38 -0.01 0.00 0.48 0.00 0.00 55.95 56.20 2jqy s SER 189 Cb -0.04 0.89 -0.04 0.00 0.10 0.00 0.00 66.02 66.93 2jqy s SER 189 CO 0.11 -0.35 0.59 0.28 0.98 0.00 0.00 173.24 174.84 2jqy s THR 190 N 2.48 5.06 -0.02 2.02 -1.32 -0.99 -5.00 115.64 117.87 2jqy s THR 190 Ca 0.10 -0.26 -0.03 0.00 -1.21 0.00 0.00 61.69 60.29 2jqy s THR 190 Cb -0.14 -3.84 0.01 0.00 -1.51 0.00 0.00 72.50 67.02 2jqy s THR 190 CO -0.28 -0.57 0.08 -1.58 -2.21 0.00 0.00 174.62 170.07 2jqy s GLN 191 N -4.25 0.15 0.48 7.08 0.74 -1.26 -2.18 119.66 120.41 2jqy s GLN 191 Ca 0.42 0.01 0.02 0.00 0.05 0.00 0.00 55.36 55.86 2jqy s GLN 191 Cb -0.10 0.07 -0.01 0.00 1.10 0.00 0.00 33.01 34.06 2jqy s GLN 191 CO 0.37 -0.02 0.06 -2.00 -0.55 0.00 0.00 175.29 173.14 2jqy s GLU 192 N -0.20 2.11 -0.12 1.67 2.56 -0.70 -5.00 118.70 119.02 2jqy s GLU 192 Ca -0.03 -2.33 -0.09 0.00 0.00 0.00 0.00 54.97 52.52 2jqy s GLU 192 Cb -0.02 -1.11 0.04 0.00 2.00 0.00 0.00 34.13 35.03 2jqy s GLU 192 CO 0.00 -0.44 0.30 0.96 -0.56 0.00 0.00 175.26 175.52 2jqy s ILE 193 N -3.02 -0.01 -0.01 -3.70 -4.36 -1.26 -2.22 121.20 106.62 2jqy s ILE 193 Ca 0.12 0.05 0.02 0.00 -0.26 0.00 0.00 60.65 60.57 2jqy s ILE 193 Cb 0.01 -0.43 -0.00 0.00 1.25 0.00 0.00 42.46 43.29 2jqy s ILE 193 CO 0.07 0.02 -0.07 -0.13 0.24 0.00 0.00 174.94 175.07 2jqy s ARG 194 N 0.56 0.62 -0.09 0.37 0.52 -1.12 -4.49 118.95 115.33 2jqy s ARG 194 Ca -0.03 -0.25 -0.00 0.00 -0.52 0.00 0.00 55.73 54.93 2jqy s ARG 194 Cb -0.05 -0.60 -0.03 0.00 0.52 0.00 0.00 34.95 34.79 2jqy s ARG 194 CO -0.03 0.13 -0.06 0.00 0.02 0.00 0.00 175.30 175.36 2jqy s ALA 195 N -0.06 3.00 0.31 2.13 0.00 0.10 -2.77 121.76 124.48 2jqy s ALA 195 Ca 0.01 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.14 2jqy s ALA 195 Cb -0.04 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 2jqy s ALA 195 CO -0.00 0.50 0.17 0.71 0.00 0.00 0.00 175.76 177.13 2jqy s TYR 196 N -0.56 1.63 -0.42 0.00 1.51 -0.51 0.03 117.35 119.03 2jqy s TYR 196 Ca 0.08 -1.39 0.02 0.00 -1.01 0.00 0.00 57.07 54.78 2jqy s TYR 196 Cb -0.12 -0.87 0.24 0.00 -0.11 0.00 0.00 41.96 41.10 2jqy s TYR 196 CO 0.02 -0.53 1.01 1.28 -1.11 0.00 0.00 175.55 176.22 2jqy n LEU 197 N -0.61 -2.25 -4.55 -1.29 4.77 -1.24 -2.71 117.00 109.11 2jqy n LEU 197 Ca 0.01 -2.43 -0.50 0.00 -0.03 0.00 0.00 56.01 53.06 2jqy n LEU 197 Cb 0.65 0.69 -0.06 0.00 -2.33 0.00 0.00 43.42 42.37 2jqy n LEU 197 CO 0.35 1.74 1.68 -2.65 -1.33 0.00 0.00 177.39 177.18 2jqy n PRO 198 N 1.90 1.48 -4.57 3.23 -0.02 -1.09 -4.23 135.00 131.70 2jqy n PRO 198 Ca 0.08 0.46 -0.33 0.00 -2.02 0.00 0.00 63.50 61.69 2jqy n PRO 198 Cb 0.65 -2.57 -0.14 0.00 -0.02 0.00 0.00 33.50 31.41 2jqy n PRO 198 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2jqy s LEU 199 N 6.23 2.69 0.02 2.45 1.02 0.30 -3.56 118.68 127.83 2jqy s LEU 199 Ca 1.03 -0.37 0.01 0.00 0.02 0.00 0.00 54.13 54.82 2jqy s LEU 199 Cb -0.77 -1.62 -0.02 0.00 0.02 0.00 0.00 46.19 43.80 2jqy s LEU 199 CO 0.50 0.12 -0.04 -0.89 0.02 0.00 0.00 176.35 176.05 2jqy s THR 200 N 0.64 0.27 -0.35 5.49 2.01 -1.26 -0.40 115.64 122.04 2jqy s THR 200 Ca -0.07 -0.69 -0.00 0.00 0.31 0.00 0.00 61.69 61.24 2jqy s THR 200 Cb -0.15 -0.34 0.14 0.00 0.01 0.00 0.00 72.50 72.16 2jqy s THR 200 CO 0.03 -0.28 0.21 -0.76 -0.69 0.00 0.00 174.62 173.13 2jqy s LEU 201 N -1.02 0.94 0.00 4.42 1.43 -1.21 -4.85 118.68 118.39 2jqy s LEU 201 Ca -0.08 -2.16 0.00 0.00 -1.03 0.00 0.00 54.13 50.86 2jqy s LEU 201 Cb -0.07 -0.38 0.00 0.00 0.03 0.00 0.00 46.19 45.77 2jqy s LEU 201 CO -0.00 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 176.87 2jqy n GLY 202 N 4.08 0.76 2.19 -3.19 0.00 -1.26 -2.80 105.19 104.97 2jqy n GLY 202 Ca 0.12 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.13 2jqy n GLY 202 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jqy n ASN 203 N 1.89 0.86 -4.42 1.61 2.85 -1.26 -5.09 115.26 111.70 2jqy n ASN 203 Ca 0.00 -2.03 -0.30 0.00 -0.11 0.00 0.00 54.58 52.14 2jqy n ASN 203 Cb 0.00 -0.24 -0.13 0.00 1.24 0.00 0.00 39.78 40.65 2jqy n ASN 203 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 2jqy s HIS 204 N -1.74 2.46 -0.23 1.20 3.76 -1.12 -4.69 115.29 114.93 2jqy s HIS 204 Ca 0.26 -0.31 -0.00 0.00 -0.15 0.00 0.00 55.06 54.85 2jqy s HIS 204 Cb 0.33 -1.41 0.06 0.00 1.11 0.00 0.00 32.58 32.68 2jqy s HIS 204 CO -0.09 0.24 -0.02 0.45 -0.85 0.00 0.00 174.74 174.47 2jqy s SER 205 N -1.54 3.66 -0.21 1.40 0.15 -0.77 -3.34 113.70 113.05 2jqy s SER 205 Ca 0.14 -1.14 -0.04 0.00 0.70 0.00 0.00 55.95 55.61 2jqy s SER 205 Cb -0.10 -1.04 0.09 0.00 -1.71 0.00 0.00 66.02 63.26 2jqy s SER 205 CO 0.05 -0.27 0.17 -0.69 1.20 0.00 0.00 173.24 173.70 2jqy s VAL 206 N 1.50 -0.21 -0.27 4.45 1.01 0.46 -1.91 120.40 125.44 2jqy s VAL 206 Ca -0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 2jqy s VAL 206 Cb -0.18 -0.70 0.08 0.00 0.00 0.00 0.00 36.38 35.57 2jqy s VAL 206 CO -0.08 -0.33 0.04 -0.89 0.00 0.00 0.00 175.10 173.85 2jqy s THR 207 N 2.23 1.09 0.73 3.92 2.01 -0.87 0.11 115.64 124.86 2jqy s THR 207 Ca 0.06 -1.24 -0.11 0.00 0.31 0.00 0.00 61.69 60.70 2jqy s THR 207 Cb -0.16 -1.64 0.03 0.00 0.01 0.00 0.00 72.50 70.74 2jqy s THR 207 CO -0.16 -0.41 1.07 -2.16 -0.69 0.00 0.00 174.62 172.27 2jqy s PRO 208 N 1.55 2.64 -0.04 4.92 0.04 -1.26 -2.52 135.00 140.34 2jqy s PRO 208 Ca 0.03 0.92 0.03 0.00 0.04 0.00 0.00 61.00 62.02 2jqy s PRO 208 Cb -0.18 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2jqy s PRO 208 CO -0.15 -1.30 -0.12 0.71 0.04 0.00 0.00 177.00 176.18 2jqy s TYR 209 N -3.04 1.28 -0.04 0.56 2.02 0.26 -3.71 117.35 114.68 2jqy s TYR 209 Ca 0.59 -0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.95 2jqy s TYR 209 Cb -0.15 -0.90 0.01 0.00 -0.40 0.00 0.00 41.96 40.52 2jqy s TYR 209 CO 0.55 -0.15 -0.11 0.99 -1.57 0.00 0.00 175.55 175.26 2jqy s THR 210 N 0.22 1.01 -0.09 -0.71 2.01 0.10 -2.68 115.64 115.50 2jqy s THR 210 Ca -0.05 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.49 2jqy s THR 210 Cb -0.11 -0.91 -0.25 0.00 0.01 0.00 0.00 72.50 71.24 2jqy s THR 210 CO 0.01 0.31 0.48 0.54 -0.69 0.00 0.00 174.62 175.28 2jqy n ARG 211 N 3.46 0.72 -3.73 4.92 1.74 -1.26 0.02 116.66 122.53 2jqy n ARG 211 Ca -0.20 0.28 -0.38 0.00 -0.77 0.00 0.00 57.85 56.78 2jqy n ARG 211 Cb 0.53 -1.74 -0.11 0.00 -1.02 0.00 0.00 32.46 30.11 2jqy n ARG 211 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2jqy s ILE 212 N -2.57 3.62 0.21 0.55 -1.09 -1.26 -4.44 121.20 116.21 2jqy s ILE 212 Ca -0.16 -1.68 0.05 0.00 -2.23 0.00 0.00 60.65 56.64 2jqy s ILE 212 Cb 0.07 -3.30 -0.03 0.00 -1.58 0.00 0.00 42.46 37.62 2jqy s ILE 212 CO 0.79 -0.52 0.25 -0.83 -1.23 0.00 0.00 174.94 173.40 2jqy s GLY 213 N 1.86 1.49 0.73 6.18 0.00 -1.26 -4.98 107.32 111.34 2jqy s GLY 213 Ca 0.04 -1.24 -0.05 0.00 0.00 0.00 0.00 44.72 43.47 2jqy s GLY 213 CO -0.01 -1.25 1.02 1.08 0.00 0.00 0.00 173.10 173.94 2jqy s LEU 214 N -3.58 2.93 0.00 0.66 2.01 -1.26 -5.11 118.68 114.33 2jqy s LEU 214 Ca 0.33 0.02 0.08 0.00 0.01 0.00 0.00 54.13 54.57 2jqy s LEU 214 Cb -0.09 -2.47 0.08 0.00 0.01 0.00 0.00 46.19 43.71 2jqy s LEU 214 CO 0.26 -1.84 0.64 0.47 1.01 0.00 0.00 176.35 176.90 2jqy n ASP 215 N -2.95 1.72 -2.21 2.29 8.00 -1.26 -5.01 116.55 117.13 2jqy n ASP 215 Ca 0.12 -2.25 -0.29 0.00 0.71 0.00 0.00 54.79 53.08 2jqy n ASP 215 Cb 0.60 -0.33 0.09 0.00 -0.02 0.00 0.00 41.12 41.46 2jqy n ASP 215 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2jqy n ARG 216 N -2.01 2.42 -3.24 -1.24 1.85 -1.26 -4.75 116.66 108.43 2jqy n ARG 216 Ca 0.13 -2.89 0.04 0.00 -1.00 0.00 0.00 57.85 54.12 2jqy n ARG 216 Cb 0.48 -2.13 -0.02 0.00 -1.05 0.00 0.00 32.46 29.73 2jqy n ARG 216 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 2jqy s TRP 217 N -3.32 -0.74 -0.39 2.89 0.52 -1.26 -5.05 118.94 111.59 2jqy s TRP 217 Ca 0.57 0.95 -0.11 0.00 0.02 0.00 0.00 56.10 57.52 2jqy s TRP 217 Cb 0.45 0.32 0.01 0.00 -1.15 0.00 0.00 33.47 33.11 2jqy s TRP 217 CO 0.02 -0.39 0.42 0.43 0.02 0.00 0.00 176.95 177.45 2jqy n SER 218 N 5.28 -7.92 0.06 2.95 7.64 -1.26 -4.95 113.62 115.41 2jqy n SER 218 Ca -0.07 0.79 -0.12 0.00 1.01 0.00 0.00 58.87 60.49 2jqy n SER 218 Cb 0.53 -5.34 -0.13 0.00 -1.01 0.00 0.00 64.21 58.26 2jqy n SER 218 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2jqy h ASN 219 N 2.28 0.19 -5.34 6.43 2.35 -1.97 -3.46 115.58 116.06 2jqy h ASN 219 Ca 0.00 -0.24 -0.17 0.00 -0.55 0.00 0.00 56.30 55.34 2jqy h ASN 219 Cb 0.70 -0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.94 2jqy h ASN 219 CO 0.17 1.20 -0.07 0.26 -1.65 0.00 0.00 177.43 177.34 2jqy s TRP 220 N -2.66 0.70 -0.65 1.19 0.51 -1.26 -5.00 118.94 111.77 2jqy s TRP 220 Ca -0.04 -1.06 -0.07 0.00 -2.12 0.00 0.00 56.10 52.81 2jqy s TRP 220 Cb 0.08 0.19 0.17 0.00 -0.81 0.00 0.00 33.47 33.10 2jqy s TRP 220 CO 0.84 -1.21 0.52 0.34 -0.51 0.00 0.00 176.95 176.93 2jqy s ASP 221 N -3.15 5.79 -0.21 2.95 -1.08 -1.26 -4.85 116.67 114.86 2jqy s ASP 221 Ca 0.25 -2.61 -0.10 0.00 -0.52 0.00 0.00 52.55 49.57 2jqy s ASP 221 Cb -0.02 -1.99 0.04 0.00 -1.46 0.00 0.00 42.92 39.49 2jqy s ASP 221 CO 0.16 -0.50 0.21 1.87 0.52 0.00 0.00 175.17 177.43 2jqy n TRP 222 N 3.93 -4.41 -3.93 -5.34 -0.00 -1.26 -5.00 117.44 101.44 2jqy n TRP 222 Ca 0.06 2.46 -0.35 0.00 -0.00 0.00 0.00 57.50 59.67 2jqy n TRP 222 Cb 0.41 -3.95 -0.14 0.00 -0.00 0.00 0.00 31.31 27.63 2jqy n TRP 222 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 177.69 176.55 2jqy s GLN 223 N -0.86 3.29 0.45 5.87 -0.44 -1.26 -5.11 119.66 121.60 2jqy s GLN 223 Ca -0.24 -0.67 0.07 0.00 -2.50 0.00 0.00 55.36 52.02 2jqy s GLN 223 Cb 0.02 -2.96 0.07 0.00 -1.64 0.00 0.00 33.01 28.49 2jqy s GLN 223 CO 0.79 -0.22 0.56 -0.25 0.50 0.00 0.00 175.29 176.68 2jqy n ASP 224 N 4.77 1.84 -1.43 6.67 8.00 -1.26 -5.03 116.55 130.11 2jqy n ASP 224 Ca -0.18 -2.28 0.00 0.00 0.71 0.00 0.00 54.79 53.04 2jqy n ASP 224 Cb 0.50 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 2jqy n ASP 224 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2jqy n ASP 225 N -2.33 -7.74 -0.03 -2.24 2.03 -1.26 -4.91 116.55 100.07 2jqy n ASP 225 Ca 0.10 1.66 -0.01 0.00 0.52 0.00 0.00 54.79 57.06 2jqy n ASP 225 Cb 0.48 -4.52 -0.08 0.00 -0.72 0.00 0.00 41.12 36.27 2jqy n ASP 225 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jqy n ILE 226 N -2.36 0.41 -2.31 5.18 3.06 -1.26 -5.03 119.36 117.05 2jqy n ILE 226 Ca 0.00 -0.36 -0.25 0.00 -2.50 0.00 0.00 62.75 59.63 2jqy n ILE 226 Cb 0.40 -0.32 0.10 0.00 0.54 0.00 0.00 39.64 40.36 2jqy n ILE 226 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 2jqy s GLU 227 N -2.47 1.78 -0.24 9.51 2.02 -1.26 -5.07 118.70 122.96 2jqy s GLU 227 Ca -0.05 -0.60 -0.08 0.00 0.02 0.00 0.00 54.97 54.26 2jqy s GLU 227 Cb 0.05 -2.19 -0.04 0.00 0.10 0.00 0.00 34.13 32.05 2jqy s GLU 227 CO 0.44 -1.47 0.11 1.03 0.02 0.00 0.00 175.26 175.38 2jqy s ARG 228 N -5.29 3.82 -0.40 1.61 0.52 -1.26 -4.97 118.95 112.98 2jqy s ARG 228 Ca 0.64 -0.40 0.05 0.00 -0.52 0.00 0.00 55.73 55.51 2jqy s ARG 228 Cb -0.08 -3.41 0.54 0.00 0.52 0.00 0.00 34.95 32.53 2jqy s ARG 228 CO 0.45 -0.09 1.66 0.39 0.02 0.00 0.00 175.30 177.74 2jqy n GLU 229 N 4.66 2.26 0.00 3.54 1.02 -1.26 -5.02 120.64 125.84 2jqy n GLU 229 Ca -0.16 -3.25 0.00 0.00 -0.02 0.00 0.00 57.16 53.73 2jqy n GLU 229 Cb 0.52 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 2jqy n GLU 229 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jqy n GLY 230 N -1.06 1.02 3.86 0.62 0.00 -1.26 -5.09 105.19 103.27 2jqy n GLY 230 Ca 0.47 -1.40 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 2jqy n GLY 230 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jqy s HIS 231 N -0.65 2.99 0.85 1.61 2.46 -1.26 -5.11 115.29 116.17 2jqy s HIS 231 Ca 0.00 -0.24 -0.10 0.00 0.47 0.00 0.00 55.06 55.18 2jqy s HIS 231 Cb 0.00 -1.72 0.10 0.00 -0.13 0.00 0.00 32.58 30.83 2jqy s HIS 231 CO 0.00 0.25 1.11 -0.51 -2.47 0.00 0.00 174.74 173.12 2jqy s ASP 232 N -3.98 3.71 -0.13 9.88 1.01 -1.26 -4.93 116.67 120.97 2jqy s ASP 232 Ca 0.39 1.96 -0.29 0.00 0.71 0.00 0.00 52.55 55.32 2jqy s ASP 232 Cb -0.07 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 2jqy s ASP 232 CO 0.27 -2.56 1.41 0.12 0.21 0.00 0.00 175.17 174.61 2jqy s PHE 233 N -2.79 2.51 0.30 4.23 5.36 -1.26 -4.98 117.98 121.35 2jqy s PHE 233 Ca 0.64 0.70 -0.02 0.00 -0.96 0.00 0.00 56.93 57.29 2jqy s PHE 233 Cb -0.20 -3.67 -0.01 0.00 -0.34 0.00 0.00 43.02 38.80 2jqy s PHE 233 CO 0.57 -2.51 0.37 -0.80 -1.46 0.00 0.00 175.22 171.39 2jqy s ASN 234 N 2.52 0.74 -0.51 6.13 0.01 -1.26 -5.12 114.94 117.44 2jqy s ASN 234 Ca 0.62 -1.43 0.02 0.00 -0.71 0.00 0.00 52.86 51.36 2jqy s ASN 234 Cb -0.26 0.57 0.13 0.00 0.41 0.00 0.00 41.25 42.11 2jqy s ASN 234 CO 0.20 -1.13 0.27 -0.13 -1.51 0.00 0.00 177.10 174.80 2jqy s ARG 235 N -3.51 2.04 0.53 -0.60 0.52 -1.26 -5.09 118.95 111.58 2jqy s ARG 235 Ca 0.33 -2.47 0.07 0.00 -0.52 0.00 0.00 55.73 53.14 2jqy s ARG 235 Cb 0.02 -3.41 0.04 0.00 0.52 0.00 0.00 34.95 32.12 2jqy s ARG 235 CO 0.18 -1.10 0.52 0.14 0.02 0.00 0.00 175.30 175.06 2jqy s VAL 236 N -0.02 2.01 -0.05 3.52 -7.23 -1.26 -4.86 120.40 112.51 2jqy s VAL 236 Ca 0.16 -1.31 0.03 0.00 -1.81 0.00 0.00 61.98 59.05 2jqy s VAL 236 Cb -0.24 -2.32 0.01 0.00 0.56 0.00 0.00 36.38 34.40 2jqy s VAL 236 CO -0.02 0.00 -0.13 -0.83 -0.31 0.00 0.00 175.10 173.81 2jqy s GLY 237 N -4.37 0.76 -0.14 2.32 0.00 -1.09 -4.80 107.32 100.00 2jqy s GLY 237 Ca 0.45 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.73 2jqy s GLY 237 CO 0.28 -0.04 -0.18 1.08 0.00 0.00 0.00 173.10 174.24 2jqy s LEU 238 N 0.40 1.91 -0.30 0.66 1.43 -1.07 0.90 118.68 122.61 2jqy s LEU 238 Ca -0.09 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.36 2jqy s LEU 238 Cb -0.13 -1.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 2jqy s LEU 238 CO 0.03 0.02 0.17 0.12 0.23 0.00 0.00 176.35 176.91 2jqy s PHE 239 N 1.11 3.19 0.05 0.29 2.19 -1.05 -1.88 117.98 121.88 2jqy s PHE 239 Ca -0.02 -0.30 0.09 0.00 0.33 0.00 0.00 56.93 57.03 2jqy s PHE 239 Cb -0.14 -2.38 -0.03 0.00 -1.31 0.00 0.00 43.02 39.16 2jqy s PHE 239 CO -0.06 -0.35 -0.25 0.71 1.83 0.00 0.00 175.22 177.09 2jqy s TYR 240 N 1.68 2.22 -4.11 10.12 1.51 0.55 -2.05 117.35 127.27 2jqy s TYR 240 Ca 0.06 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 2jqy s TYR 240 Cb -0.17 -1.32 0.00 0.00 -0.11 0.00 0.00 41.96 40.36 2jqy s TYR 240 CO 0.08 0.14 0.00 0.41 -1.11 0.00 0.00 175.55 175.07 2jqy n GLY 241 N 1.72 -0.52 3.40 0.71 0.00 -0.80 0.96 105.19 110.66 2jqy n GLY 241 Ca -0.17 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 2jqy n GLY 241 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jqy s TYR 242 N -3.36 0.35 -0.21 1.61 2.02 -0.32 -1.84 117.35 115.60 2jqy s TYR 242 Ca 0.00 -0.70 -0.21 0.00 -0.37 0.00 0.00 57.07 55.79 2jqy s TYR 242 Cb 0.00 0.03 0.06 0.00 -0.40 0.00 0.00 41.96 41.64 2jqy s TYR 242 CO 0.00 -0.79 0.59 0.16 -1.57 0.00 0.00 175.55 173.94 2jqy s ASP 243 N -2.97 -0.61 -1.02 2.29 -4.77 -1.26 -1.16 116.67 107.17 2jqy s ASP 243 Ca 0.18 1.16 -0.04 0.00 -3.30 0.00 0.00 52.55 50.54 2jqy s ASP 243 Cb 0.02 1.17 0.00 0.00 -1.09 0.00 0.00 42.92 43.03 2jqy s ASP 243 CO 0.01 -0.22 0.88 0.49 0.70 0.00 0.00 175.17 177.03 2jqy n PHE 244 N 2.69 -2.04 -0.08 2.11 3.01 -1.26 -4.93 117.46 116.96 2jqy n PHE 244 Ca -0.14 0.78 -0.22 0.00 1.01 0.00 0.00 57.45 58.88 2jqy n PHE 244 Cb 0.56 -4.34 -0.12 0.00 -0.01 0.00 0.00 39.48 35.57 2jqy n PHE 244 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 2jqy n GLN 245 N -3.81 0.66 -2.34 -1.08 7.27 -1.26 -4.78 117.38 112.03 2jqy n GLN 245 Ca -0.10 0.32 -0.02 0.00 0.07 0.00 0.00 57.00 57.26 2jqy n GLN 245 Cb 0.59 -1.64 0.07 0.00 2.41 0.00 0.00 30.24 31.67 2jqy n GLN 245 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 2jqy n ASN 246 N -3.81 -0.69 0.00 1.69 2.85 -1.26 -4.96 115.26 109.07 2jqy n ASN 246 Ca -0.39 -2.13 0.00 0.00 -0.11 0.00 0.00 54.58 51.95 2jqy n ASN 246 Cb 0.91 0.35 0.00 0.00 1.24 0.00 0.00 39.78 42.29 2jqy n ASN 246 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jqy n GLY 247 N -0.99 2.07 3.31 8.20 0.00 -1.26 -5.02 105.19 111.50 2jqy n GLY 247 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 2jqy n GLY 247 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jqy s LEU 248 N 0.00 2.18 0.31 0.99 0.20 -1.26 -2.50 118.68 118.60 2jqy s LEU 248 Ca 0.00 -0.45 0.03 0.00 0.69 0.00 0.00 54.13 54.40 2jqy s LEU 248 Cb 0.00 -1.40 -0.02 0.00 -0.43 0.00 0.00 46.19 44.34 2jqy s LEU 248 CO 0.00 0.28 0.47 -0.55 -0.29 0.00 0.00 176.35 176.26 2jqy s SER 249 N -0.35 6.21 -0.09 3.68 0.15 0.20 -4.14 113.70 119.36 2jqy s SER 249 Ca 0.02 0.17 -0.06 0.00 0.70 0.00 0.00 55.95 56.79 2jqy s SER 249 Cb -0.12 -1.78 0.04 0.00 -1.71 0.00 0.00 66.02 62.44 2jqy s SER 249 CO 0.02 -0.26 0.22 0.68 1.20 0.00 0.00 173.24 175.10 2jqy s VAL 250 N -2.18 -0.03 -0.02 4.45 -7.23 -0.31 -1.63 120.40 113.45 2jqy s VAL 250 Ca 0.39 0.10 0.03 0.00 -1.81 0.00 0.00 61.98 60.69 2jqy s VAL 250 Cb -0.09 -0.34 -0.00 0.00 0.56 0.00 0.00 36.38 36.51 2jqy s VAL 250 CO 0.32 0.04 -0.11 -0.44 -0.31 0.00 0.00 175.10 174.60 2jqy s SER 251 N 0.85 1.42 -0.10 4.85 0.01 0.23 -1.17 113.70 119.78 2jqy s SER 251 Ca -0.06 -0.22 -0.02 0.00 1.31 0.00 0.00 55.95 56.95 2jqy s SER 251 Cb -0.07 -0.32 0.04 0.00 0.21 0.00 0.00 66.02 65.88 2jqy s SER 251 CO -0.05 0.10 0.04 -0.76 0.41 0.00 0.00 173.24 172.98 2jqy s LEU 252 N 0.03 0.55 -0.12 2.44 1.43 0.27 -1.03 118.68 122.25 2jqy s LEU 252 Ca -0.01 -0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 2jqy s LEU 252 Cb -0.08 -0.36 -0.05 0.00 0.03 0.00 0.00 46.19 45.73 2jqy s LEU 252 CO 0.00 -0.26 0.29 -0.70 0.23 0.00 0.00 176.35 175.92 2jqy s GLU 253 N 2.03 4.02 0.09 1.70 2.12 -0.94 -0.33 118.70 127.39 2jqy s GLU 253 Ca 0.03 0.12 0.02 0.00 0.36 0.00 0.00 54.97 55.51 2jqy s GLU 253 Cb -0.14 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 2jqy s GLU 253 CO -0.06 0.45 -0.08 0.71 -0.54 0.00 0.00 175.26 175.74 2jqy s TYR 254 N -0.18 0.89 0.23 5.30 2.02 -0.79 -2.92 117.35 121.90 2jqy s TYR 254 Ca 0.18 -0.78 0.00 0.00 -0.37 0.00 0.00 57.07 56.10 2jqy s TYR 254 Cb -0.14 -0.51 0.00 0.00 -0.40 0.00 0.00 41.96 40.91 2jqy s TYR 254 CO 0.06 -0.10 0.00 0.00 -1.57 0.00 0.00 175.55 173.94 2jqy n ALA 255 N 0.36 2.83 -0.52 3.71 0.00 -1.26 -2.59 120.51 123.04 2jqy n ALA 255 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2jqy n ALA 255 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 2jqy n ALA 255 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2jqy n PHE 256 N -3.24 0.00 -2.59 0.00 3.72 -1.26 -4.92 117.46 109.17 2jqy n PHE 256 Ca 0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.19 2jqy n PHE 256 Cb 0.00 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 2jqy n PHE 256 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2jqy n GLU 257 N -1.56 -2.69 -3.73 -1.08 2.13 -1.26 -4.98 120.64 107.48 2jqy n GLU 257 Ca 0.00 0.99 -0.22 0.00 0.66 0.00 0.00 57.16 58.59 2jqy n GLU 257 Cb 0.00 -5.72 -0.18 0.00 0.27 0.00 0.00 31.44 25.82 2jqy n GLU 257 CO 0.00 0.00 0.00 -0.46 -0.41 0.00 0.00 177.13 176.26 2jqy s TRP 258 N -3.09 0.48 0.06 4.31 -0.11 -1.26 -5.13 118.94 114.19 2jqy s TRP 258 Ca 0.09 -0.05 -0.11 0.00 1.22 0.00 0.00 56.10 57.25 2jqy s TRP 258 Cb -0.04 -0.70 0.04 0.00 -1.50 0.00 0.00 33.47 31.26 2jqy s TRP 258 CO 0.12 -0.30 0.51 0.94 -4.62 0.00 0.00 176.95 173.60 2jqy n GLN 259 N 5.20 0.24 -2.55 5.86 7.27 -1.26 -5.06 117.38 127.06 2jqy n GLN 259 Ca -0.06 -0.59 -0.01 0.00 0.07 0.00 0.00 57.00 56.41 2jqy n GLN 259 Cb 0.50 0.83 0.05 0.00 2.41 0.00 0.00 30.24 34.02 2jqy n GLN 259 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 2jqy n ASP 260 N -0.81 1.71 -3.12 1.69 5.68 -1.26 -4.95 116.55 115.49 2jqy n ASP 260 Ca -0.00 -2.16 -0.19 0.00 -0.50 0.00 0.00 54.79 51.94 2jqy n ASP 260 Cb 0.27 -0.44 -0.05 0.00 -1.14 0.00 0.00 41.12 39.75 2jqy n ASP 260 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 2jqy n HIS 261 N -0.45 -1.67 -0.05 2.11 -0.00 -1.26 -4.94 115.22 108.97 2jqy n HIS 261 Ca 0.10 -2.79 -0.05 0.00 0.46 0.00 0.00 57.72 55.43 2jqy n HIS 261 Cb 0.86 0.50 -0.06 0.00 -0.12 0.00 0.00 29.99 31.18 2jqy n HIS 261 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2jqy n ASP 262 N 2.27 3.05 -2.66 0.26 2.03 -1.26 -5.09 116.55 115.15 2jqy n ASP 262 Ca 0.22 -0.02 -0.02 0.00 0.52 0.00 0.00 54.79 55.49 2jqy n ASP 262 Cb 0.53 0.38 0.00 0.00 -0.72 0.00 0.00 41.12 41.31 2jqy n ASP 262 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2jqy n GLU 263 N -2.49 -2.94 0.00 -0.67 4.07 -1.26 -4.66 120.64 112.69 2jqy n GLU 263 Ca -0.15 2.44 0.00 0.00 -0.06 0.00 0.00 57.16 59.39 2jqy n GLU 263 Cb 0.74 -5.15 0.00 0.00 -0.06 0.00 0.00 31.44 26.97 2jqy n GLU 263 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2jqy n GLY 264 N 0.36 3.80 3.29 8.31 0.00 -1.26 -4.86 105.19 114.83 2jqy n GLY 264 Ca 0.03 -0.86 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 2jqy n GLY 264 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jqy n ASP 265 N 0.00 -6.21 0.05 1.61 -0.08 -1.26 -4.85 116.55 105.81 2jqy n ASP 265 Ca 0.00 -0.41 0.00 0.00 -1.51 0.00 0.00 54.79 52.87 2jqy n ASP 265 Cb 0.00 -4.92 0.00 0.00 2.34 0.00 0.00 41.12 38.54 2jqy n ASP 265 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2jqy n SER 266 N -2.69 0.10 -4.65 1.67 2.88 -1.26 -5.11 113.62 104.55 2jqy n SER 266 Ca -0.05 0.16 -0.30 0.00 -1.33 0.00 0.00 58.87 57.36 2jqy n SER 266 Cb 0.59 0.08 0.17 0.00 -0.75 0.00 0.00 64.21 64.30 2jqy n SER 266 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2jqy s ASP 267 N -4.74 2.74 -0.99 -3.46 1.11 -1.26 -4.95 116.67 105.12 2jqy s ASP 267 Ca 0.00 1.60 -0.00 0.00 0.18 0.00 0.00 52.55 54.32 2jqy s ASP 267 Cb 0.00 -2.25 0.32 0.00 1.07 0.00 0.00 42.92 42.06 2jqy s ASP 267 CO 0.00 -3.12 1.74 0.29 1.18 0.00 0.00 175.17 175.26 2jqy n LYS 268 N -4.21 5.23 -3.10 8.23 4.01 -1.26 -4.99 118.16 122.07 2jqy n LYS 268 Ca 0.07 -4.69 -0.41 0.00 -0.51 0.00 0.00 58.31 52.78 2jqy n LYS 268 Cb 0.55 -2.45 -0.06 0.00 -0.51 0.00 0.00 35.03 32.56 2jqy n LYS 268 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 2jqy s PHE 269 N -4.23 3.31 0.06 2.13 2.19 -1.26 -5.01 117.98 115.17 2jqy s PHE 269 Ca 0.40 0.87 -0.27 0.00 0.33 0.00 0.00 56.93 58.25 2jqy s PHE 269 Cb 0.20 -2.84 0.10 0.00 -1.31 0.00 0.00 43.02 39.16 2jqy s PHE 269 CO -0.13 -0.29 1.18 -1.01 1.83 0.00 0.00 175.22 176.80 2jqy s HIS 270 N 2.37 -0.02 -1.01 10.12 3.76 -1.26 -4.96 115.29 124.28 2jqy s HIS 270 Ca 0.27 -0.18 -0.19 0.00 -0.15 0.00 0.00 55.06 54.81 2jqy s HIS 270 Cb -0.16 0.60 0.11 0.00 1.11 0.00 0.00 32.58 34.24 2jqy s HIS 270 CO 0.09 -0.50 1.30 0.71 -0.85 0.00 0.00 174.74 175.48 2jqy s TYR 271 N -2.45 2.97 0.21 1.40 2.02 -1.26 -4.95 117.35 115.29 2jqy s TYR 271 Ca 0.18 -1.34 -0.01 0.00 -0.37 0.00 0.00 57.07 55.54 2jqy s TYR 271 Cb 0.01 -4.44 -0.04 0.00 -0.40 0.00 0.00 41.96 37.10 2jqy s TYR 271 CO -0.00 -1.63 0.17 0.00 -1.57 0.00 0.00 175.55 172.51 2jqy s ALA 272 N 3.31 1.12 0.00 3.71 0.00 -1.26 -4.93 121.76 123.72 2jqy s ALA 272 Ca 0.39 -1.67 -0.07 0.00 0.00 0.00 0.00 51.96 50.61 2jqy s ALA 272 Cb -0.03 1.37 -0.05 0.00 0.00 0.00 0.00 23.12 24.42 2jqy s ALA 272 CO -0.07 -0.61 0.26 0.20 0.00 0.00 0.00 175.76 175.54 2jqy s GLY 273 N -3.17 2.25 0.06 0.00 0.00 -1.15 -4.56 107.32 100.75 2jqy s GLY 273 Ca 0.38 -0.58 0.06 0.00 0.00 0.00 0.00 44.72 44.58 2jqy s GLY 273 CO 0.13 -0.39 -0.16 0.14 0.00 0.00 0.00 173.10 172.82 2jqy s VAL 274 N -1.29 1.23 0.08 1.40 1.01 -1.10 -2.21 120.40 119.52 2jqy s VAL 274 Ca 0.27 -1.21 -0.26 0.00 0.00 0.00 0.00 61.98 60.78 2jqy s VAL 274 Cb -0.13 -1.14 0.08 0.00 0.00 0.00 0.00 36.38 35.19 2jqy s VAL 274 CO 0.16 -0.08 0.79 -0.83 0.00 0.00 0.00 175.10 175.13 2jqy s GLY 275 N -1.49 -0.48 0.07 4.51 0.00 -0.20 -0.33 107.32 109.40 2jqy s GLY 275 Ca 0.01 0.71 -0.06 0.00 0.00 0.00 0.00 44.72 45.38 2jqy s GLY 275 CO 0.02 0.23 0.11 -1.34 0.00 0.00 0.00 173.10 172.12 2jqy s VAL 276 N -3.38 0.17 -0.33 1.40 -7.23 0.13 0.76 120.40 111.92 2jqy s VAL 276 Ca 0.04 -1.39 0.02 0.00 -1.81 0.00 0.00 61.98 58.85 2jqy s VAL 276 Cb -0.01 -1.37 0.15 0.00 0.56 0.00 0.00 36.38 35.70 2jqy s VAL 276 CO -0.09 -0.77 0.35 0.21 -0.31 0.00 0.00 175.10 174.50 2jqy s ASN 277 N -2.84 1.25 -0.44 4.85 2.47 -0.65 -1.75 114.94 117.84 2jqy s ASN 277 Ca 0.05 -1.12 -0.23 0.00 0.42 0.00 0.00 52.86 51.98 2jqy s ASN 277 Cb 0.06 0.62 0.02 0.00 -1.45 0.00 0.00 41.25 40.49 2jqy s ASN 277 CO -0.10 -0.32 0.76 -0.47 -3.72 0.00 0.00 177.10 173.25 2jqy s TYR 278 N 1.92 3.02 -0.03 0.43 6.14 0.75 -0.63 117.35 128.96 2jqy s TYR 278 Ca 0.13 0.18 0.01 0.00 0.64 0.00 0.00 57.07 58.03 2jqy s TYR 278 Cb -0.14 -3.58 -0.03 0.00 0.42 0.00 0.00 41.96 38.62 2jqy s TYR 278 CO -0.18 -0.94 -0.03 -1.54 0.64 0.00 0.00 175.55 173.50 2jqy s SER 279 N 2.08 4.89 0.00 4.32 1.04 -1.04 0.10 113.70 125.10 2jqy s SER 279 Ca 0.29 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.69 2jqy s SER 279 Cb -0.13 -1.25 0.00 0.00 0.10 0.00 0.00 66.02 64.75 2jqy s SER 279 CO 0.21 0.32 0.00 2.22 0.98 0.00 0.00 173.24 176.97