#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j6r s TRP 1 N 0.00 1.61 0.07 7.33 0.52 -1.26 -5.15 118.94 122.07 2j6r s TRP 1 Ca 0.00 -0.31 0.02 0.00 0.02 0.00 0.00 56.10 55.83 2j6r s TRP 1 Cb 0.00 -1.04 -0.04 0.00 -1.15 0.00 0.00 33.47 31.24 2j6r s TRP 1 CO 0.00 -0.03 0.11 -1.64 0.02 0.00 0.00 176.95 175.41 2j6r s MET 2 N -0.41 3.04 0.38 4.98 -1.94 -1.26 -5.14 119.30 118.95 2j6r s MET 2 Ca 0.07 -0.61 0.04 0.00 -1.71 0.00 0.00 55.69 53.47 2j6r s MET 2 Cb -0.07 -2.82 0.04 0.00 2.01 0.00 0.00 34.83 33.99 2j6r s MET 2 CO -0.01 0.58 0.30 0.25 -0.01 0.00 0.00 175.02 176.14 2j6r n THR 3 N 0.46 0.00 -4.76 2.05 -2.24 -1.26 -4.96 114.28 103.58 2j6r n THR 3 Ca -0.08 -1.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.21 2j6r n THR 3 Cb 0.51 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 2j6r n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j6r n GLY 4 N 0.42 0.68 2.71 3.38 0.00 -1.26 -4.20 105.19 106.92 2j6r n GLY 4 Ca -0.00 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 2j6r n GLY 4 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2j6r n ASP 5 N -2.03 4.18 -4.76 1.61 9.92 -1.26 -4.87 116.55 119.33 2j6r n ASP 5 Ca 0.00 -2.82 -0.41 0.00 -0.53 0.00 0.00 54.79 51.03 2j6r n ASP 5 Cb 0.00 -1.64 -0.01 0.00 -0.64 0.00 0.00 41.12 38.83 2j6r n ASP 5 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2j6r s PHE 6 N 3.17 2.76 -0.05 1.24 5.36 -1.23 -4.69 117.98 124.54 2j6r s PHE 6 Ca 0.49 0.97 0.03 0.00 -0.96 0.00 0.00 56.93 57.45 2j6r s PHE 6 Cb 0.14 -4.00 0.01 0.00 -0.34 0.00 0.00 43.02 38.83 2j6r s PHE 6 CO -0.08 -3.18 -0.13 -0.80 -1.46 0.00 0.00 175.22 169.56 2j6r s ASN 7 N 0.23 1.82 0.29 6.13 -0.87 -1.26 -0.68 114.94 120.61 2j6r s ASN 7 Ca 0.59 -0.30 -0.09 0.00 -1.57 0.00 0.00 52.86 51.49 2j6r s ASN 7 Cb -0.46 -0.68 0.00 0.00 -0.02 0.00 0.00 41.25 40.09 2j6r s ASN 7 CO 0.52 0.08 0.49 -0.83 -2.57 0.00 0.00 177.10 174.79 2j6r s GLY 8 N 0.39 0.89 -0.01 0.66 0.00 -0.37 -5.01 107.32 103.87 2j6r s GLY 8 Ca -0.09 -1.13 -0.10 0.00 0.00 0.00 0.00 44.72 43.40 2j6r s GLY 8 CO 0.03 -0.76 0.21 -1.35 0.00 0.00 0.00 173.10 171.23 2j6r s SER 9 N -3.11 -0.08 -0.21 1.64 1.04 -1.26 -0.51 113.70 111.22 2j6r s SER 9 Ca 0.25 -0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.65 2j6r s SER 9 Cb -0.01 0.27 0.04 0.00 0.10 0.00 0.00 66.02 66.43 2j6r s SER 9 CO 0.13 -0.37 -0.11 -0.69 0.98 0.00 0.00 173.24 173.18 2j6r s VAL 10 N -1.23 1.73 0.03 5.02 1.01 0.16 -4.97 120.40 122.15 2j6r s VAL 10 Ca -0.13 -1.10 -0.26 0.00 0.00 0.00 0.00 61.98 60.49 2j6r s VAL 10 Cb -0.06 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 2j6r s VAL 10 CO 0.02 0.15 0.82 -1.81 0.00 0.00 0.00 175.10 174.28 2j6r s ASP 11 N 1.35 7.25 -0.13 3.32 1.01 -1.26 -0.42 116.67 127.80 2j6r s ASP 11 Ca -0.02 1.50 0.01 0.00 0.71 0.00 0.00 52.55 54.75 2j6r s ASP 11 Cb -0.17 -2.50 0.02 0.00 1.01 0.00 0.00 42.92 41.28 2j6r s ASP 11 CO -0.08 -0.06 -0.16 -0.63 0.21 0.00 0.00 175.17 174.45 2j6r s ILE 12 N 0.24 1.62 0.00 0.77 1.01 -1.22 -3.09 121.20 120.54 2j6r s ILE 12 Ca 0.42 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.36 2j6r s ILE 12 Cb -0.21 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.78 2j6r s ILE 12 CO 0.24 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.26 2j6r n GLY 13 N 4.34 -0.79 0.00 6.18 0.00 -0.34 0.43 105.19 115.01 2j6r n GLY 13 Ca -0.19 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.73 2j6r n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j6r n GLY 14 N -0.37 0.96 3.14 -0.02 0.00 -0.21 -2.99 105.19 105.70 2j6r n GLY 14 Ca 0.00 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 2j6r n GLY 14 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2j6r s SER 15 N 1.40 1.85 -0.16 1.61 0.15 -0.15 -0.85 113.70 117.55 2j6r s SER 15 Ca 0.00 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.34 2j6r s SER 15 Cb 0.00 -0.19 0.02 0.00 -1.71 0.00 0.00 66.02 64.14 2j6r s SER 15 CO 0.00 0.17 -0.14 -0.63 1.20 0.00 0.00 173.24 173.84 2j6r s ILE 16 N -0.44 1.61 0.47 6.45 1.01 0.15 -0.97 121.20 129.48 2j6r s ILE 16 Ca 0.06 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.03 2j6r s ILE 16 Cb -0.06 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 2j6r s ILE 16 CO -0.00 0.43 0.04 0.42 0.00 0.00 0.00 174.94 175.83 2j6r s THR 17 N 1.46 1.02 -0.37 2.92 -4.23 -0.46 0.06 115.64 116.05 2j6r s THR 17 Ca 0.04 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.71 2j6r s THR 17 Cb -0.13 -2.26 0.71 0.00 1.34 0.00 0.00 72.50 72.16 2j6r s THR 17 CO -0.11 0.00 1.62 0.00 -0.54 0.00 0.00 174.62 175.60 2j6r n ALA 18 N -1.14 3.46 -3.77 3.99 0.00 -1.26 -1.43 120.51 120.36 2j6r n ALA 18 Ca -0.14 -1.98 -0.26 0.00 0.00 0.00 0.00 53.44 51.06 2j6r n ALA 18 Cb 0.66 -0.97 0.04 0.00 0.00 0.00 0.00 19.45 19.19 2j6r n ALA 18 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2j6r n ASP 19 N 0.35 -4.32 -4.68 0.00 2.03 -1.26 -4.91 116.55 103.76 2j6r n ASP 19 Ca 0.25 -0.72 -0.46 0.00 0.52 0.00 0.00 54.79 54.38 2j6r n ASP 19 Cb 1.05 -4.26 -0.04 0.00 -0.72 0.00 0.00 41.12 37.14 2j6r n ASP 19 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2j6r n ASP 20 N -2.94 3.26 0.31 1.67 -0.08 -1.26 -4.88 116.55 112.64 2j6r n ASP 20 Ca -0.05 1.06 0.18 0.00 -1.51 0.00 0.00 54.79 54.47 2j6r n ASP 20 Cb 0.57 -1.44 0.98 0.00 2.34 0.00 0.00 41.12 43.57 2j6r n ASP 20 CO 0.00 0.00 0.00 0.10 0.12 0.00 0.00 177.20 177.42 2j6r h TYR 21 N 6.59 0.00 0.00 -0.67 -0.00 -2.07 -1.29 116.97 119.53 2j6r h TYR 21 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.28 2j6r h TYR 21 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.98 2j6r h TYR 21 CO 0.67 0.00 -0.28 0.54 -0.00 0.00 0.00 178.16 179.09 2j6r n ARG 22 N -2.87 0.02 -3.29 0.10 1.74 -1.26 -4.76 116.66 106.33 2j6r n ARG 22 Ca -0.02 0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.64 2j6r n ARG 22 Cb 0.18 -1.52 -0.08 0.00 -1.02 0.00 0.00 32.46 30.02 2j6r n ARG 22 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2j6r s GLN 23 N -3.01 3.30 -0.00 5.56 -0.21 -0.49 -4.91 119.66 119.91 2j6r s GLN 23 Ca 0.12 -0.53 0.07 0.00 0.02 0.00 0.00 55.36 55.04 2j6r s GLN 23 Cb 0.18 -3.91 -0.08 0.00 1.00 0.00 0.00 33.01 30.20 2j6r s GLN 23 CO 0.63 -0.77 0.30 1.63 -2.12 0.00 0.00 175.29 174.95 2j6r n LYS 24 N 5.67 4.55 -4.34 2.91 4.76 -1.26 -4.92 118.16 125.54 2j6r n LYS 24 Ca -0.06 -0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.18 2j6r n LYS 24 Cb 0.48 -0.84 -0.10 0.00 -1.84 0.00 0.00 35.03 32.72 2j6r n LYS 24 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2j6r s TRP 25 N -1.69 1.74 0.05 2.13 0.52 -1.26 -5.15 118.94 115.27 2j6r s TRP 25 Ca 0.03 -0.53 -0.02 0.00 0.02 0.00 0.00 56.10 55.60 2j6r s TRP 25 Cb 0.05 -0.83 -0.03 0.00 -1.15 0.00 0.00 33.47 31.51 2j6r s TRP 25 CO 0.29 0.34 -0.00 -1.83 0.02 0.00 0.00 176.95 175.77 2j6r s GLU 26 N -3.27 0.58 0.03 4.98 -1.05 -1.26 -5.17 118.70 113.55 2j6r s GLU 26 Ca 0.19 -1.08 -0.07 0.00 -0.15 0.00 0.00 54.97 53.86 2j6r s GLU 26 Cb -0.03 0.21 -0.00 0.00 -0.44 0.00 0.00 34.13 33.86 2j6r s GLU 26 CO 0.07 -0.12 0.14 -1.58 0.95 0.00 0.00 175.26 174.72 2j6r s TRP 27 N -3.48 0.12 -0.04 4.83 0.52 -1.26 -5.17 118.94 114.47 2j6r s TRP 27 Ca 0.03 -0.36 -0.23 0.00 0.02 0.00 0.00 56.10 55.56 2j6r s TRP 27 Cb 0.05 -0.09 0.05 0.00 -1.15 0.00 0.00 33.47 32.33 2j6r s TRP 27 CO -0.08 -0.38 0.49 -1.59 0.02 0.00 0.00 176.95 175.41 2j6r s LYS 28 N -2.41 0.86 0.01 4.98 -2.85 -1.26 -5.06 119.74 114.00 2j6r s LYS 28 Ca -0.06 0.05 0.05 0.00 -1.00 0.00 0.00 55.97 55.01 2j6r s LYS 28 Cb -0.02 0.40 -0.03 0.00 -2.06 0.00 0.00 37.83 36.11 2j6r s LYS 28 CO -0.03 -0.25 -0.15 0.14 0.10 0.00 0.00 175.35 175.16 2j6r s VAL 29 N -1.22 3.03 0.00 1.79 -7.23 -1.26 -5.06 120.40 110.45 2j6r s VAL 29 Ca -0.12 -0.97 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 2j6r s VAL 29 Cb -0.03 -2.26 0.00 0.00 0.56 0.00 0.00 36.38 34.65 2j6r s VAL 29 CO 0.07 0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.89 2j6r n GLY 30 N 1.78 1.16 2.90 2.32 0.00 -1.26 -4.65 105.19 107.44 2j6r n GLY 30 Ca -0.16 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 2j6r n GLY 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2j6r s THR 31 N 0.00 -0.48 0.00 2.61 -4.23 -1.26 -5.12 115.64 107.16 2j6r s THR 31 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 2j6r s THR 31 Cb 0.00 -0.69 0.00 0.00 1.34 0.00 0.00 72.50 73.15 2j6r s THR 31 CO 0.00 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 2j6r n GLY 32 N 5.35 2.48 0.03 3.99 0.00 -1.26 -5.05 105.19 110.74 2j6r n GLY 32 Ca -0.05 -0.56 0.02 0.00 0.00 0.00 0.00 46.02 45.43 2j6r n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2j6r n LEU 33 N 0.00 1.63 -0.68 0.99 4.77 -1.25 -4.59 117.00 117.86 2j6r n LEU 33 Ca 0.00 -1.80 0.04 0.00 -0.03 0.00 0.00 56.01 54.22 2j6r n LEU 33 Cb 0.00 -0.07 0.20 0.00 -2.33 0.00 0.00 43.42 41.22 2j6r n LEU 33 CO 0.00 0.44 0.50 -0.46 -1.33 0.00 0.00 177.39 176.54 2j6r n ASN 34 N -0.55 2.14 -0.56 -1.43 6.94 -1.18 -1.19 115.26 119.43 2j6r n ASN 34 Ca 0.03 -3.69 0.06 0.00 -0.02 0.00 0.00 54.58 50.96 2j6r n ASN 34 Cb 0.38 -0.54 0.09 0.00 -2.36 0.00 0.00 39.78 37.35 2j6r n ASN 34 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2j6r n GLY 35 N -1.14 0.77 3.77 4.83 0.00 -1.22 -4.47 105.19 107.72 2j6r n GLY 35 Ca 0.22 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 2j6r n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j6r s PHE 36 N -1.01 2.72 -0.09 1.61 0.40 -1.16 -4.88 117.98 115.58 2j6r s PHE 36 Ca 0.18 1.13 0.02 0.00 -0.60 0.00 0.00 56.93 57.65 2j6r s PHE 36 Cb 0.11 -3.96 0.02 0.00 0.51 0.00 0.00 43.02 39.70 2j6r s PHE 36 CO 0.16 -2.90 -0.12 0.20 0.70 0.00 0.00 175.22 173.26 2j6r s GLY 37 N -0.04 0.86 0.29 4.36 0.00 -1.26 -0.98 107.32 110.53 2j6r s GLY 37 Ca 0.55 -0.51 0.03 0.00 0.00 0.00 0.00 44.72 44.78 2j6r s GLY 37 CO 0.57 0.30 0.15 -1.31 0.00 0.00 0.00 173.10 172.81 2j6r s ASN 38 N 0.97 1.31 0.27 1.64 -0.87 -0.15 -4.98 114.94 113.13 2j6r s ASN 38 Ca -0.09 -1.52 0.09 0.00 -1.57 0.00 0.00 52.86 49.78 2j6r s ASN 38 Cb -0.15 0.36 -0.05 0.00 -0.02 0.00 0.00 41.25 41.39 2j6r s ASN 38 CO -0.00 -0.87 -0.14 0.68 -2.57 0.00 0.00 177.10 174.20 2j6r s VAL 39 N -3.69 2.07 0.34 1.60 -7.23 -1.26 -1.35 120.40 110.88 2j6r s VAL 39 Ca 0.37 -2.26 0.09 0.00 -1.81 0.00 0.00 61.98 58.37 2j6r s VAL 39 Cb 0.05 -2.33 0.32 0.00 0.56 0.00 0.00 36.38 34.99 2j6r s VAL 39 CO 0.17 -0.39 1.81 -0.07 -0.31 0.00 0.00 175.10 176.30 2j6r h LEU 40 N 2.30 0.68 -0.58 1.32 3.38 -1.59 -1.27 115.31 119.56 2j6r h LEU 40 Ca -0.40 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2j6r h LEU 40 Cb 1.24 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2j6r h LEU 40 CO 0.64 0.27 0.00 0.59 0.09 0.00 0.00 178.44 180.02 2j6r n ASN 41 N -4.66 0.49 0.18 -0.43 3.02 -1.26 -2.18 115.26 110.41 2j6r n ASN 41 Ca 0.22 0.63 0.04 0.00 -0.03 0.00 0.00 54.58 55.44 2j6r n ASN 41 Cb 0.59 -0.73 0.30 0.00 -0.61 0.00 0.00 39.78 39.33 2j6r n ASN 41 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2j6r h ASP 42 N 0.00 0.00 -4.08 6.41 3.32 -1.64 -3.46 116.42 116.98 2j6r h ASP 42 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 2j6r h ASP 42 Cb 0.30 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.95 2j6r h ASP 42 CO 0.00 0.42 0.48 -0.76 -1.72 0.00 0.00 179.24 177.65 2j6r s LEU 43 N -7.14 3.75 0.47 1.55 1.43 -0.93 -4.72 118.68 113.09 2j6r s LEU 43 Ca -0.00 2.36 0.02 0.00 -1.03 0.00 0.00 54.13 55.48 2j6r s LEU 43 Cb 0.11 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.80 2j6r s LEU 43 CO 0.70 -1.41 0.06 0.42 0.23 0.00 0.00 176.35 176.35 2j6r s THR 44 N -1.60 0.89 -1.17 5.49 -4.23 0.34 -4.70 115.64 110.66 2j6r s THR 44 Ca 0.74 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.22 2j6r s THR 44 Cb -0.30 -2.22 -0.02 0.00 1.34 0.00 0.00 72.50 71.30 2j6r s THR 44 CO 0.33 0.00 0.90 0.59 -0.54 0.00 0.00 174.62 175.90 2j6r n ASN 45 N -1.31 -3.56 -2.93 3.99 3.02 -1.26 -1.61 115.26 111.60 2j6r n ASN 45 Ca -0.14 -0.71 -0.19 0.00 -0.03 0.00 0.00 54.58 53.51 2j6r n ASN 45 Cb 0.66 -4.83 0.06 0.00 -0.61 0.00 0.00 39.78 35.06 2j6r n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2j6r n GLY 46 N -1.28 -0.22 2.29 7.41 0.00 -1.26 -2.94 105.19 109.19 2j6r n GLY 46 Ca -0.21 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 2j6r n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j6r n GLY 47 N -1.67 0.58 0.00 -0.02 0.00 -1.12 -4.47 105.19 98.50 2j6r n GLY 47 Ca -0.00 -0.41 0.04 0.00 0.00 0.00 0.00 46.02 45.65 2j6r n GLY 47 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2j6r n THR 48 N -3.34 0.00 -4.44 2.61 -2.24 -0.79 -0.29 114.28 105.78 2j6r n THR 48 Ca -0.13 -0.23 -0.30 0.00 -2.27 0.00 0.00 64.05 61.12 2j6r n THR 48 Cb 0.51 0.54 -0.17 0.00 -2.10 0.00 0.00 70.33 69.11 2j6r n THR 48 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2j6r s LYS 49 N -2.33 2.39 -0.15 -0.78 2.20 -0.63 -0.03 119.74 120.41 2j6r s LYS 49 Ca -0.01 -0.62 -0.02 0.00 -0.36 0.00 0.00 55.97 54.95 2j6r s LYS 49 Cb 0.06 -2.03 -0.02 0.00 -1.51 0.00 0.00 37.83 34.33 2j6r s LYS 49 CO 0.36 -0.08 -0.07 -1.17 -0.36 0.00 0.00 175.35 174.03 2j6r s LEU 50 N 1.02 3.05 -0.20 5.43 2.96 0.36 -0.51 118.68 130.79 2j6r s LEU 50 Ca -0.05 -0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 53.64 2j6r s LEU 50 Cb -0.15 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.83 2j6r s LEU 50 CO -0.03 0.16 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.14 2j6r s THR 51 N 0.40 2.61 -0.18 3.68 2.01 -1.26 -0.46 115.64 122.44 2j6r s THR 51 Ca -0.06 -0.80 -0.05 0.00 0.31 0.00 0.00 61.69 61.09 2j6r s THR 51 Cb -0.15 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 2j6r s THR 51 CO 0.04 0.45 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.78 2j6r s ILE 52 N 1.36 4.00 -0.37 1.82 1.01 0.61 -4.97 121.20 124.66 2j6r s ILE 52 Ca 0.05 -0.31 -0.17 0.00 0.00 0.00 0.00 60.65 60.22 2j6r s ILE 52 Cb -0.14 -2.78 0.00 0.00 0.01 0.00 0.00 42.46 39.55 2j6r s ILE 52 CO -0.09 0.46 0.45 -0.89 0.00 0.00 0.00 174.94 174.88 2j6r s THR 53 N 0.65 5.07 0.40 2.92 2.01 -1.26 -0.50 115.64 124.92 2j6r s THR 53 Ca -0.01 0.07 -0.23 0.00 0.31 0.00 0.00 61.69 61.83 2j6r s THR 53 Cb -0.14 -3.95 -0.10 0.00 0.01 0.00 0.00 72.50 68.32 2j6r s THR 53 CO 0.02 -0.24 0.98 0.68 -0.69 0.00 0.00 174.62 175.36 2j6r s VAL 54 N 2.24 4.15 -0.18 3.82 -7.23 -0.28 -4.88 120.40 118.04 2j6r s VAL 54 Ca 0.15 1.53 -0.05 0.00 -1.81 0.00 0.00 61.98 61.80 2j6r s VAL 54 Cb -0.16 -3.73 -0.03 0.00 0.56 0.00 0.00 36.38 33.02 2j6r s VAL 54 CO 0.13 -0.10 0.01 -0.89 -0.31 0.00 0.00 175.10 173.94 2j6r s THR 55 N -1.88 4.20 0.00 5.32 2.01 -1.26 -0.88 115.64 123.14 2j6r s THR 55 Ca 0.58 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.34 2j6r s THR 55 Cb -0.15 -2.88 0.00 0.00 0.01 0.00 0.00 72.50 69.48 2j6r s THR 55 CO 0.20 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.19 2j6r n GLY 56 N 3.81 -0.77 3.52 4.40 0.00 -1.26 -4.85 105.19 110.04 2j6r n GLY 56 Ca -0.17 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 2j6r n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2j6r s ASN 57 N -2.90 6.32 -0.32 1.61 -0.87 -1.26 -2.61 114.94 114.91 2j6r s ASN 57 Ca 0.00 -0.34 -0.09 0.00 -1.57 0.00 0.00 52.86 50.86 2j6r s ASN 57 Cb 0.00 -2.31 0.01 0.00 -0.02 0.00 0.00 41.25 38.93 2j6r s ASN 57 CO 0.00 -0.76 0.14 -0.54 -2.57 0.00 0.00 177.10 173.37 2j6r s LYS 58 N 2.77 3.07 0.31 -0.60 -0.14 0.42 -4.94 119.74 120.62 2j6r s LYS 58 Ca 0.22 -0.89 -0.29 0.00 -1.36 0.00 0.00 55.97 53.65 2j6r s LYS 58 Cb -0.14 -3.53 -0.10 0.00 -1.68 0.00 0.00 37.83 32.38 2j6r s LYS 58 CO 0.18 -0.52 1.19 -1.25 -0.76 0.00 0.00 175.35 174.20 2j6r s PRO 59 N 1.54 4.48 -0.18 -1.68 0.04 -1.26 0.18 135.00 138.12 2j6r s PRO 59 Ca 0.03 1.97 -0.14 0.00 0.04 0.00 0.00 61.00 62.90 2j6r s PRO 59 Cb -0.18 -3.10 -0.07 0.00 0.04 0.00 0.00 34.50 31.19 2j6r s PRO 59 CO 0.05 0.01 -0.31 -0.89 0.04 0.00 0.00 177.00 175.90 2j6r n ILE 60 N 0.94 1.42 -3.94 0.56 5.41 0.71 -4.89 119.36 119.57 2j6r n ILE 60 Ca -0.00 0.01 -0.17 0.00 1.00 0.00 0.00 62.75 63.59 2j6r n ILE 60 Cb 0.44 -2.11 -0.16 0.00 -0.71 0.00 0.00 39.64 37.10 2j6r n ILE 60 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2j6r s LEU 61 N -7.63 1.25 0.02 1.39 2.96 -0.58 -4.95 118.68 111.15 2j6r s LEU 61 Ca -0.28 -0.03 0.07 0.00 -0.22 0.00 0.00 54.13 53.67 2j6r s LEU 61 Cb 0.07 -0.21 -0.02 0.00 0.50 0.00 0.00 46.19 46.52 2j6r s LEU 61 CO 0.39 -0.09 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.36 2j6r s LEU 62 N 0.91 2.13 0.03 -0.68 1.43 -1.26 -0.71 118.68 120.52 2j6r s LEU 62 Ca -0.09 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 2j6r s LEU 62 Cb -0.13 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 2j6r s LEU 62 CO -0.02 0.19 -0.04 -0.83 0.23 0.00 0.00 176.35 175.89 2j6r s GLY 63 N -0.96 0.31 0.01 -3.19 0.00 -0.16 -4.96 107.32 98.36 2j6r s GLY 63 Ca 0.08 -0.64 -0.21 0.00 0.00 0.00 0.00 44.72 43.95 2j6r s GLY 63 CO 0.01 -0.71 0.48 1.09 0.00 0.00 0.00 173.10 173.97 2j6r s ARG 64 N -1.52 0.93 0.33 2.90 1.70 -1.26 -0.49 118.95 121.54 2j6r s ARG 64 Ca -0.14 -0.16 -0.29 0.00 -0.47 0.00 0.00 55.73 54.67 2j6r s ARG 64 Cb -0.10 0.42 -0.10 0.00 -0.57 0.00 0.00 34.95 34.60 2j6r s ARG 64 CO -0.01 -0.31 1.30 0.95 -1.08 0.00 0.00 175.30 176.16 2j6r s THR 65 N -1.95 2.72 0.25 4.99 -4.23 -0.59 -4.92 115.64 111.92 2j6r s THR 65 Ca -0.08 0.73 0.06 0.00 -1.18 0.00 0.00 61.69 61.21 2j6r s THR 65 Cb -0.02 -3.46 -0.03 0.00 1.34 0.00 0.00 72.50 70.33 2j6r s THR 65 CO 0.02 0.17 1.59 0.11 -0.54 0.00 0.00 174.62 175.97 2j6r h LYS 66 N 3.37 0.20 -3.18 3.99 1.57 -1.98 -3.47 116.57 117.07 2j6r h LYS 66 Ca -0.49 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.18 2j6r h LYS 66 Cb 1.23 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.48 2j6r h LYS 66 CO 0.65 0.72 0.13 -1.83 -0.57 0.00 0.00 179.45 178.55 2j6r s GLU 67 N -3.78 1.60 0.35 3.15 -1.05 -1.26 -5.12 118.70 112.59 2j6r s GLU 67 Ca -0.04 -0.95 -0.25 0.00 -0.15 0.00 0.00 54.97 53.59 2j6r s GLU 67 Cb 0.12 0.56 -0.10 0.00 -0.44 0.00 0.00 34.13 34.28 2j6r s GLU 67 CO 0.79 -0.71 0.97 0.00 0.95 0.00 0.00 175.26 177.26 2j6r s ALA 68 N -3.91 3.17 0.21 -0.84 0.00 -1.26 -4.85 121.76 114.28 2j6r s ALA 68 Ca 0.11 0.56 -0.22 0.00 0.00 0.00 0.00 51.96 52.41 2j6r s ALA 68 Cb -0.03 -3.20 0.07 0.00 0.00 0.00 0.00 23.12 19.95 2j6r s ALA 68 CO 0.03 0.07 0.97 -0.59 0.00 0.00 0.00 175.76 176.24 2j6r s PHE 69 N -1.68 0.02 0.10 0.00 -0.71 -0.35 -4.81 117.98 110.54 2j6r s PHE 69 Ca 0.53 -0.45 -0.10 0.00 -1.04 0.00 0.00 56.93 55.88 2j6r s PHE 69 Cb -0.18 0.71 0.00 0.00 -1.21 0.00 0.00 43.02 42.34 2j6r s PHE 69 CO 0.24 -1.02 0.22 0.00 -1.34 0.00 0.00 175.22 173.32 2j6r s ALA 70 N -2.52 -0.30 -0.29 1.99 0.00 -1.26 -0.46 121.76 118.92 2j6r s ALA 70 Ca 0.18 -0.56 -0.20 0.00 0.00 0.00 0.00 51.96 51.38 2j6r s ALA 70 Cb -0.03 0.52 0.15 0.00 0.00 0.00 0.00 23.12 23.77 2j6r s ALA 70 CO 0.06 -0.53 1.08 -0.08 0.00 0.00 0.00 175.76 176.29 2j6r s THR 71 N -3.86 0.00 -0.59 0.00 -1.32 -0.11 -4.96 115.64 104.80 2j6r s THR 71 Ca 0.05 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.70 2j6r s THR 71 Cb 0.04 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 70.20 2j6r s THR 71 CO -0.11 0.00 1.52 -0.81 -2.21 0.00 0.00 174.62 173.01 2j6r n PRO 72 N 2.94 0.11 -3.29 7.08 -0.04 -1.26 -3.36 135.00 137.18 2j6r n PRO 72 Ca -0.16 0.47 -0.45 0.00 -0.04 0.00 0.00 63.50 63.33 2j6r n PRO 72 Cb 0.57 -1.76 -0.06 0.00 -0.04 0.00 0.00 33.50 32.21 2j6r n PRO 72 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2j6r s ASP 78 N -3.71 6.18 0.00 3.54 1.01 -1.26 -4.90 116.67 117.52 2j6r s ASP 78 Ca 0.02 -1.32 0.24 0.00 0.71 0.00 0.00 52.55 52.20 2j6r s ASP 78 Cb 0.07 -2.23 0.59 0.00 1.01 0.00 0.00 42.92 42.36 2j6r s ASP 78 CO 0.24 -0.80 1.48 0.61 0.21 0.00 0.00 175.17 176.92 2j6r n GLY 79 N 5.21 0.71 3.20 0.21 0.00 -1.08 -4.62 105.19 108.82 2j6r n GLY 79 Ca -0.11 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 2j6r n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j6r s ILE 80 N -1.86 3.53 0.39 -0.61 1.01 -0.82 -4.95 121.20 117.88 2j6r s ILE 80 Ca 0.34 -1.51 -0.24 0.00 0.00 0.00 0.00 60.65 59.23 2j6r s ILE 80 Cb 0.20 -3.15 -0.09 0.00 0.01 0.00 0.00 42.46 39.43 2j6r s ILE 80 CO 0.31 -0.37 1.05 -2.84 0.00 0.00 0.00 174.94 173.08 2j6r s PRO 81 N 1.29 4.22 -0.00 2.79 0.02 -1.26 -0.07 135.00 141.99 2j6r s PRO 81 Ca 0.01 1.51 0.08 0.00 0.02 0.00 0.00 61.00 62.63 2j6r s PRO 81 Cb -0.21 -2.59 -0.02 0.00 0.02 0.00 0.00 34.50 31.69 2j6r s PRO 81 CO -0.00 -0.09 -0.26 -1.01 -0.33 0.00 0.00 177.00 175.31 2j6r s HIS 82 N -1.63 2.27 -0.15 6.54 3.76 0.97 -1.17 115.29 125.89 2j6r s HIS 82 Ca 0.57 -0.42 0.01 0.00 -0.15 0.00 0.00 55.06 55.06 2j6r s HIS 82 Cb -0.22 -1.44 0.00 0.00 1.11 0.00 0.00 32.58 32.03 2j6r s HIS 82 CO 0.28 0.00 -0.18 0.42 -0.85 0.00 0.00 174.74 174.41 2j6r s ILE 83 N -0.65 2.38 -0.18 0.60 1.01 -0.00 -1.86 121.20 122.51 2j6r s ILE 83 Ca 0.10 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.89 2j6r s ILE 83 Cb -0.10 -1.98 0.02 0.00 0.01 0.00 0.00 42.46 40.41 2j6r s ILE 83 CO -0.00 0.53 -0.18 0.00 0.00 0.00 0.00 174.94 175.29 2j6r s ALA 84 N 0.82 2.23 -0.14 9.38 0.00 -0.13 -4.21 121.76 129.72 2j6r s ALA 84 Ca -0.06 -1.18 -0.08 0.00 0.00 0.00 0.00 51.96 50.65 2j6r s ALA 84 Cb -0.15 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 2j6r s ALA 84 CO -0.01 -0.41 0.13 -0.06 0.00 0.00 0.00 175.76 175.41 2j6r s PHE 85 N 1.33 3.54 0.09 0.00 0.08 -1.26 -1.07 117.98 120.69 2j6r s PHE 85 Ca 0.04 0.47 -0.00 0.00 0.12 0.00 0.00 56.93 57.56 2j6r s PHE 85 Cb -0.13 -2.00 -0.04 0.00 -0.57 0.00 0.00 43.02 40.28 2j6r s PHE 85 CO -0.12 0.61 -0.01 0.95 -0.10 0.00 0.00 175.22 176.55 2j6r s THR 86 N -0.65 0.32 0.33 0.64 -4.23 -0.37 -0.65 115.64 111.04 2j6r s THR 86 Ca 0.13 -1.88 0.04 0.00 -1.18 0.00 0.00 61.69 58.80 2j6r s THR 86 Cb -0.12 -1.76 0.06 0.00 1.34 0.00 0.00 72.50 72.02 2j6r s THR 86 CO 0.02 -0.77 0.45 -0.90 -0.54 0.00 0.00 174.62 172.88 2j6r n ASP 87 N -0.01 1.00 0.18 3.99 5.68 -0.50 -0.74 116.55 126.15 2j6r n ASP 87 Ca -0.10 -1.75 0.13 0.00 -0.50 0.00 0.00 54.79 52.57 2j6r n ASP 87 Cb 0.62 -0.26 0.60 0.00 -1.14 0.00 0.00 41.12 40.95 2j6r n ASP 87 CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 2j6r h TYR 88 N -0.10 0.00 -0.02 2.11 -0.00 -1.88 -0.02 116.97 117.05 2j6r h TYR 88 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.58 2j6r h TYR 88 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.38 2j6r h TYR 88 CO 0.00 0.00 -0.16 0.39 -0.00 0.00 0.00 178.16 178.39 2j6r n GLU 89 N -2.44 1.56 -0.59 0.10 1.02 -1.26 -4.96 120.64 114.08 2j6r n GLU 89 Ca 0.01 -1.12 0.00 0.00 -0.02 0.00 0.00 57.16 56.03 2j6r n GLU 89 Cb 0.18 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 2j6r n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2j6r n GLY 90 N 1.31 0.79 3.80 0.62 0.00 -0.02 -5.04 105.19 106.64 2j6r n GLY 90 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2j6r n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j6r s ALA 91 N -3.13 2.96 0.31 4.61 0.00 -1.26 -4.67 121.76 120.57 2j6r s ALA 91 Ca 0.00 0.57 -0.30 0.00 0.00 0.00 0.00 51.96 52.24 2j6r s ALA 91 Cb 0.00 -3.23 -0.12 0.00 0.00 0.00 0.00 23.12 19.77 2j6r s ALA 91 CO 0.00 -0.17 1.53 0.45 0.00 0.00 0.00 175.76 177.57 2j6r n SER 92 N -0.67 3.63 -4.27 0.00 2.88 -1.26 -1.41 113.62 112.52 2j6r n SER 92 Ca 0.08 1.17 -0.33 0.00 -1.33 0.00 0.00 58.87 58.45 2j6r n SER 92 Cb 0.52 -1.57 -0.15 0.00 -0.75 0.00 0.00 64.21 62.26 2j6r n SER 92 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2j6r s VAL 93 N -0.31 2.62 -0.16 2.46 1.01 0.17 -4.80 120.40 121.40 2j6r s VAL 93 Ca 0.62 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 2j6r s VAL 93 Cb -0.52 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 2j6r s VAL 93 CO 0.53 0.52 -0.05 -0.69 0.00 0.00 0.00 175.10 175.41 2j6r s VAL 94 N 0.72 3.73 -0.11 2.92 1.01 -1.26 -4.25 120.40 123.17 2j6r s VAL 94 Ca -0.07 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 2j6r s VAL 94 Cb -0.16 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 2j6r s VAL 94 CO 0.01 0.49 1.20 -0.76 0.00 0.00 0.00 175.10 176.04 2j6r s LEU 95 N 0.49 4.23 0.10 3.92 1.43 -1.26 -4.52 118.68 123.07 2j6r s LEU 95 Ca -0.04 1.73 0.09 0.00 -1.03 0.00 0.00 54.13 54.88 2j6r s LEU 95 Cb -0.14 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 2j6r s LEU 95 CO 0.03 -0.65 -0.23 -0.13 0.23 0.00 0.00 176.35 175.60 2j6r s ARG 96 N 2.73 1.31 0.24 1.70 0.52 -0.28 -4.69 118.95 120.48 2j6r s ARG 96 Ca 0.54 -1.19 -0.30 0.00 -0.52 0.00 0.00 55.73 54.27 2j6r s ARG 96 Cb -0.23 -1.63 -0.09 0.00 0.52 0.00 0.00 34.95 33.53 2j6r s ARG 96 CO 0.18 0.39 1.08 -0.80 0.02 0.00 0.00 175.30 176.18 2j6r s ASN 97 N -1.80 7.30 0.06 0.23 0.01 -1.26 -0.43 114.94 119.06 2j6r s ASN 97 Ca 0.10 2.17 -0.20 0.00 -0.71 0.00 0.00 52.86 54.22 2j6r s ASN 97 Cb -0.10 -2.62 -0.12 0.00 0.41 0.00 0.00 41.25 38.83 2j6r s ASN 97 CO 0.04 -0.14 1.46 1.55 -1.51 0.00 0.00 177.10 178.51 2j6r h PRO 98 N 4.32 0.33 -2.52 -0.60 0.13 -1.88 -3.46 132.00 128.32 2j6r h PRO 98 Ca -0.46 -0.12 -0.56 0.00 -0.87 0.00 0.00 66.00 64.00 2j6r h PRO 98 Cb 1.21 -0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 2j6r h PRO 98 CO 0.69 0.58 1.98 1.63 -0.23 0.00 0.00 178.00 182.65 2j6r n LYS 104 N -4.68 3.38 -0.00 0.86 5.02 -1.26 -5.11 118.16 116.37 2j6r n LYS 104 Ca -0.05 -2.32 0.08 0.00 -2.02 0.00 0.00 58.31 54.00 2j6r n LYS 104 Cb 0.25 -2.47 -0.10 0.00 -0.02 0.00 0.00 35.03 32.69 2j6r n LYS 104 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2j6r n LYS 105 N 2.39 1.24 -2.90 1.97 4.01 -0.85 -3.99 118.16 120.02 2j6r n LYS 105 Ca 0.62 -0.00 -0.17 0.00 -0.51 0.00 0.00 58.31 58.24 2j6r n LYS 105 Cb 0.43 -1.32 0.03 0.00 -0.51 0.00 0.00 35.03 33.66 2j6r n LYS 105 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2j6r n GLY 106 N 1.41 -0.24 3.85 0.72 0.00 0.56 -4.66 105.19 106.84 2j6r n GLY 106 Ca 0.03 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2j6r n GLY 106 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2j6r s LEU 107 N -5.34 4.29 0.23 0.99 1.43 -1.26 -0.57 118.68 118.46 2j6r s LEU 107 Ca 0.26 1.00 -0.04 0.00 -1.03 0.00 0.00 54.13 54.32 2j6r s LEU 107 Cb -0.11 -3.35 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 2j6r s LEU 107 CO 0.32 0.06 0.26 0.00 0.23 0.00 0.00 176.35 177.23 2j6r s ALA 108 N -1.56 0.80 0.08 4.21 0.00 -0.18 -4.13 121.76 120.98 2j6r s ALA 108 Ca 0.40 -1.49 -0.05 0.00 0.00 0.00 0.00 51.96 50.83 2j6r s ALA 108 Cb -0.14 1.29 -0.02 0.00 0.00 0.00 0.00 23.12 24.25 2j6r s ALA 108 CO 0.20 -0.68 0.09 1.52 0.00 0.00 0.00 175.76 176.88 2j6r s TYR 109 N -3.99 0.39 0.07 0.00 -0.85 0.43 -0.67 117.35 112.72 2j6r s TYR 109 Ca 0.34 -0.86 0.02 0.00 -0.52 0.00 0.00 57.07 56.04 2j6r s TYR 109 Cb 0.04 -0.24 -0.03 0.00 0.38 0.00 0.00 41.96 42.11 2j6r s TYR 109 CO 0.13 -0.48 -0.07 -0.59 -1.52 0.00 0.00 175.55 173.02 2j6r s PHE 110 N -3.91 0.74 -0.03 -3.49 -0.12 -0.81 -1.12 117.98 109.24 2j6r s PHE 110 Ca 0.08 -0.70 0.07 0.00 -0.05 0.00 0.00 56.93 56.33 2j6r s PHE 110 Cb 0.06 -0.44 -0.02 0.00 -0.63 0.00 0.00 43.02 42.00 2j6r s PHE 110 CO -0.09 -0.13 -0.25 0.08 -0.05 0.00 0.00 175.22 174.78 2j6r s VAL 111 N -2.44 1.99 0.07 -2.49 1.01 -1.26 -0.79 120.40 116.49 2j6r s VAL 111 Ca -0.00 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 60.78 2j6r s VAL 111 Cb -0.03 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.71 2j6r s VAL 111 CO -0.02 0.56 0.30 -1.48 0.00 0.00 0.00 175.10 174.46 2j6r s LEU 112 N -0.43 0.90 0.50 3.92 0.05 -0.20 -4.74 118.68 118.68 2j6r s LEU 112 Ca 0.05 -0.34 -0.20 0.00 0.05 0.00 0.00 54.13 53.69 2j6r s LEU 112 Cb -0.11 1.39 -0.07 0.00 -2.05 0.00 0.00 46.19 45.35 2j6r s LEU 112 CO 0.01 -0.70 1.09 -2.16 -0.55 0.00 0.00 176.35 174.04 2j6r s PRO 113 N -3.18 3.62 0.13 1.48 0.04 -1.26 0.13 135.00 135.96 2j6r s PRO 113 Ca -0.01 1.53 0.08 0.00 0.04 0.00 0.00 61.00 62.64 2j6r s PRO 113 Cb 0.01 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2j6r s PRO 113 CO -0.07 -0.61 -0.14 0.00 0.04 0.00 0.00 177.00 176.22 2j6r s MET 114 N -3.15 1.94 0.23 4.56 0.23 -0.58 -4.47 119.30 118.05 2j6r s MET 114 Ca 0.69 -1.16 0.10 0.00 -1.03 0.00 0.00 55.69 54.28 2j6r s MET 114 Cb -0.21 -2.18 -0.05 0.00 -1.53 0.00 0.00 34.83 30.86 2j6r s MET 114 CO 0.25 0.48 -0.17 -1.59 -2.03 0.00 0.00 175.02 171.95 2j6r s LYS 115 N -2.32 1.47 0.25 3.16 -2.85 -0.19 -1.13 119.74 118.12 2j6r s LYS 115 Ca 0.21 -1.64 -0.01 0.00 -1.00 0.00 0.00 55.97 53.53 2j6r s LYS 115 Cb -0.10 -1.43 0.05 0.00 -2.06 0.00 0.00 37.83 34.29 2j6r s LYS 115 CO 0.12 0.26 0.34 0.27 0.10 0.00 0.00 175.35 176.45 2j6r n ASN 116 N -0.37 0.38 0.27 0.03 0.23 -0.08 -1.25 115.26 114.47 2j6r n ASN 116 Ca -0.08 -1.34 0.18 0.00 -0.53 0.00 0.00 54.58 52.81 2j6r n ASN 116 Cb 0.60 -0.23 0.84 0.00 -2.08 0.00 0.00 39.78 38.91 2j6r n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2j6r h ALA 117 N -0.71 1.00 -0.09 -2.53 0.00 -1.91 -0.87 119.26 114.15 2j6r h ALA 117 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2j6r h ALA 117 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2j6r h ALA 117 CO 0.11 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 178.51 2j6r n GLU 118 N -2.86 1.82 -0.67 0.00 0.00 -1.26 -4.95 120.64 112.72 2j6r n GLU 118 Ca -0.01 -1.21 0.00 0.00 0.00 0.00 0.00 57.16 55.95 2j6r n GLU 118 Cb 0.18 -1.45 0.00 0.00 0.00 0.00 0.00 31.44 30.16 2j6r n GLU 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2j6r n GLY 119 N 1.20 0.81 3.74 -1.84 0.00 -0.33 -5.04 105.19 103.73 2j6r n GLY 119 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2j6r n GLY 119 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j6r s THR 120 N -3.15 4.03 -0.06 2.61 2.01 -1.26 -4.74 115.64 115.09 2j6r s THR 120 Ca 0.00 1.79 -0.30 0.00 0.31 0.00 0.00 61.69 63.49 2j6r s THR 120 Cb 0.00 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.32 2j6r s THR 120 CO 0.00 0.32 1.60 -0.75 -0.69 0.00 0.00 174.62 175.10 2j6r s LYS 121 N -0.44 4.19 0.00 4.92 2.20 -1.26 -0.90 119.74 128.45 2j6r s LYS 121 Ca 0.47 2.13 0.05 0.00 -0.36 0.00 0.00 55.97 58.27 2j6r s LYS 121 Cb -0.28 -3.92 0.05 0.00 -1.51 0.00 0.00 37.83 32.18 2j6r s LYS 121 CO 0.34 -0.81 0.71 1.33 -0.36 0.00 0.00 175.35 176.56 2j6r n VAL 122 N 5.38 0.09 -0.62 4.02 0.24 -0.28 -4.95 118.33 122.20 2j6r n VAL 122 Ca 0.17 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 2j6r n VAL 122 Cb 0.43 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 2j6r n VAL 122 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2j6r n GLY 123 N 0.28 -0.02 3.15 7.63 0.00 -1.23 -1.01 105.19 113.99 2j6r n GLY 123 Ca 0.03 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 2j6r n GLY 123 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2j6r s SER 124 N -4.00 0.97 -0.05 1.61 1.04 -0.86 -1.53 113.70 110.87 2j6r s SER 124 Ca 0.00 -1.01 0.05 0.00 0.48 0.00 0.00 55.95 55.47 2j6r s SER 124 Cb 0.00 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.24 2j6r s SER 124 CO 0.00 -0.51 -0.21 -0.69 0.98 0.00 0.00 173.24 172.81 2j6r s VAL 125 N -3.70 1.78 -0.20 5.02 1.01 0.12 -0.99 120.40 123.43 2j6r s VAL 125 Ca 0.11 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 2j6r s VAL 125 Cb 0.06 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 2j6r s VAL 125 CO -0.06 0.50 0.01 -0.75 0.00 0.00 0.00 175.10 174.80 2j6r s LYS 126 N -0.03 3.67 -0.19 2.72 2.20 0.15 -1.03 119.74 127.23 2j6r s LYS 126 Ca -0.05 -0.49 -0.03 0.00 -0.36 0.00 0.00 55.97 55.03 2j6r s LYS 126 Cb -0.13 -3.11 -0.02 0.00 -1.51 0.00 0.00 37.83 33.06 2j6r s LYS 126 CO 0.03 0.04 -0.05 0.08 -0.36 0.00 0.00 175.35 175.09 2j6r s VAL 127 N 0.94 3.50 -0.13 4.02 1.01 0.03 -0.70 120.40 129.07 2j6r s VAL 127 Ca 0.02 -0.47 -0.22 0.00 0.00 0.00 0.00 61.98 61.31 2j6r s VAL 127 Cb -0.14 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 2j6r s VAL 127 CO 0.02 0.45 0.66 0.20 0.00 0.00 0.00 175.10 176.43 2j6r s ASN 128 N 1.00 6.83 0.31 3.32 0.01 -0.42 -1.92 114.94 124.08 2j6r s ASN 128 Ca 0.00 1.01 0.04 0.00 -0.71 0.00 0.00 52.86 53.20 2j6r s ASN 128 Cb -0.15 -2.38 -0.03 0.00 0.41 0.00 0.00 41.25 39.10 2j6r s ASN 128 CO 0.00 -0.19 0.19 0.00 -1.51 0.00 0.00 177.10 175.59 2j6r s ALA 129 N 1.34 1.98 -0.00 0.60 0.00 0.16 -4.51 121.76 121.32 2j6r s ALA 129 Ca 0.33 -1.78 0.03 0.00 0.00 0.00 0.00 51.96 50.54 2j6r s ALA 129 Cb -0.17 1.22 -0.01 0.00 0.00 0.00 0.00 23.12 24.16 2j6r s ALA 129 CO 0.14 -0.54 -0.10 -1.12 0.00 0.00 0.00 175.76 174.14 2j6r s SER 130 N -3.38 1.17 0.03 0.00 0.01 0.42 -1.01 113.70 110.93 2j6r s SER 130 Ca 0.36 -0.22 -0.00 0.00 1.31 0.00 0.00 55.95 57.39 2j6r s SER 130 Cb 0.04 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.13 2j6r s SER 130 CO 0.19 0.09 -0.03 -0.72 0.41 0.00 0.00 173.24 173.19 2j6r s TYR 131 N -0.34 0.37 -0.11 2.43 1.13 0.27 -1.44 117.35 119.66 2j6r s TYR 131 Ca 0.03 -0.76 -0.17 0.00 -1.41 0.00 0.00 57.07 54.76 2j6r s TYR 131 Cb -0.04 -0.28 0.04 0.00 -1.10 0.00 0.00 41.96 40.58 2j6r s TYR 131 CO -0.00 -0.27 0.43 0.00 -2.51 0.00 0.00 175.55 173.20 2j6r s ALA 132 N -2.51 -1.08 -0.03 9.51 0.00 -0.25 -4.71 121.76 122.69 2j6r s ALA 132 Ca -0.06 0.98 0.05 0.00 0.00 0.00 0.00 51.96 52.93 2j6r s ALA 132 Cb -0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 2j6r s ALA 132 CO -0.05 -0.24 -0.18 0.20 0.00 0.00 0.00 175.76 175.49 2j6r s GLY 133 N -0.41 0.93 0.00 0.00 0.00 -1.26 -1.37 107.32 105.21 2j6r s GLY 133 Ca -0.05 -0.74 -0.04 0.00 0.00 0.00 0.00 44.72 43.89 2j6r s GLY 133 CO 0.03 -0.47 0.06 0.54 0.00 0.00 0.00 173.10 173.25 2j6r s VAL 134 N -0.14 0.08 0.05 1.40 0.11 -0.66 -0.45 120.40 120.80 2j6r s VAL 134 Ca 0.00 -0.67 0.00 0.00 -2.93 0.00 0.00 61.98 58.38 2j6r s VAL 134 Cb -0.10 -0.31 -0.03 0.00 -1.53 0.00 0.00 36.38 34.41 2j6r s VAL 134 CO 0.01 -0.37 -0.04 -1.48 -3.33 0.00 0.00 175.10 169.89 2j6r s LEU 135 N -1.18 2.40 0.07 2.54 0.05 -0.14 -1.23 118.68 121.18 2j6r s LEU 135 Ca -0.13 -0.81 0.07 0.00 0.05 0.00 0.00 54.13 53.32 2j6r s LEU 135 Cb -0.07 0.07 -0.04 0.00 -2.05 0.00 0.00 46.19 44.10 2j6r s LEU 135 CO 0.00 -0.44 -0.15 -0.83 -0.55 0.00 0.00 176.35 174.38 2j6r s GLY 136 N -2.38 1.66 0.02 -3.48 0.00 0.32 -0.56 107.32 102.91 2j6r s GLY 136 Ca -0.00 -1.23 0.01 0.00 0.00 0.00 0.00 44.72 43.50 2j6r s GLY 136 CO -0.05 -1.16 -0.04 1.09 0.00 0.00 0.00 173.10 172.94 2j6r s ARG 137 N -1.77 0.35 -0.19 2.90 1.70 -0.32 -1.24 118.95 120.38 2j6r s ARG 137 Ca 0.17 -0.52 -0.14 0.00 -0.47 0.00 0.00 55.73 54.77 2j6r s ARG 137 Cb -0.11 -0.09 0.06 0.00 -0.57 0.00 0.00 34.95 34.24 2j6r s ARG 137 CO 0.08 0.01 0.48 0.20 -1.08 0.00 0.00 175.30 174.99 2j6r s GLY 138 N -1.14 -0.39 0.00 3.88 0.00 -0.88 -0.74 107.32 108.05 2j6r s GLY 138 Ca -0.10 1.59 0.00 0.00 0.00 0.00 0.00 44.72 46.21 2j6r s GLY 138 CO -0.00 1.57 0.00 0.61 0.00 0.00 0.00 173.10 175.28 2j6r n GLY 139 N 3.64 0.29 0.43 0.20 0.00 -1.26 -1.99 105.19 106.51 2j6r n GLY 139 Ca -0.19 -1.80 0.07 0.00 0.00 0.00 0.00 46.02 44.10 2j6r n GLY 139 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2j6r n VAL 140 N -0.23 0.00 -0.06 1.61 0.24 -1.26 -4.73 118.33 113.90 2j6r n VAL 140 Ca 0.00 -0.40 -0.08 0.00 -2.04 0.00 0.00 64.34 61.82 2j6r n VAL 140 Cb 0.00 1.22 -0.03 0.00 -1.47 0.00 0.00 33.84 33.57 2j6r n VAL 140 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2j6r n THR 141 N 0.20 1.42 -2.15 3.34 -1.04 -1.26 -4.90 114.28 109.89 2j6r n THR 141 Ca 0.07 0.17 -0.34 0.00 -2.04 0.00 0.00 64.05 61.91 2j6r n THR 141 Cb 0.33 -2.15 0.01 0.00 -1.82 0.00 0.00 70.33 66.70 2j6r n THR 141 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2j6r s SER 142 N -6.00 5.70 0.10 8.00 0.15 -1.26 -4.95 113.70 115.45 2j6r s SER 142 Ca -0.23 2.01 0.23 0.00 0.70 0.00 0.00 55.95 58.67 2j6r s SER 142 Cb 0.04 -2.56 0.93 0.00 -1.71 0.00 0.00 66.02 62.71 2j6r s SER 142 CO 0.33 -1.22 1.73 0.00 1.20 0.00 0.00 173.24 175.28 2j6r n ALA 143 N -1.66 2.01 -2.78 5.45 0.00 -1.26 -4.23 120.51 118.05 2j6r n ALA 143 Ca 0.10 -0.03 -0.34 0.00 0.00 0.00 0.00 53.44 53.17 2j6r n ALA 143 Cb 0.52 -1.39 -0.11 0.00 0.00 0.00 0.00 19.45 18.47 2j6r n ALA 143 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2j6r s ASP 144 N -3.60 4.88 0.00 0.00 1.01 -1.26 -0.60 116.67 117.10 2j6r s ASP 144 Ca 0.09 -0.02 0.00 0.00 0.71 0.00 0.00 52.55 53.33 2j6r s ASP 144 Cb 0.13 -1.54 0.00 0.00 1.01 0.00 0.00 42.92 42.52 2j6r s ASP 144 CO 0.45 0.28 0.00 0.61 0.21 0.00 0.00 175.17 176.71 2j6r n GLY 145 N 2.81 2.77 3.05 0.21 0.00 -0.31 -4.73 105.19 108.99 2j6r n GLY 145 Ca -0.18 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 43.67 2j6r n GLY 145 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j6r s GLU 146 N 2.21 0.50 -0.18 1.61 2.02 0.08 -1.14 118.70 123.80 2j6r s GLU 146 Ca 0.00 -0.73 0.01 0.00 0.02 0.00 0.00 54.97 54.27 2j6r s GLU 146 Cb 0.00 -0.25 0.03 0.00 0.10 0.00 0.00 34.13 34.01 2j6r s GLU 146 CO 0.00 0.04 -0.18 -1.17 0.02 0.00 0.00 175.26 173.97 2j6r s LEU 147 N -1.54 2.19 -0.04 1.80 2.96 0.24 -1.18 118.68 123.12 2j6r s LEU 147 Ca -0.10 -0.71 0.06 0.00 -0.22 0.00 0.00 54.13 53.15 2j6r s LEU 147 Cb -0.10 -1.42 -0.01 0.00 0.50 0.00 0.00 46.19 45.16 2j6r s LEU 147 CO 0.00 -0.04 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.03 2j6r s LEU 148 N 1.31 2.00 0.18 -0.68 1.43 0.28 -1.77 118.68 121.43 2j6r s LEU 148 Ca 0.03 -0.40 -0.28 0.00 -1.03 0.00 0.00 54.13 52.45 2j6r s LEU 148 Cb -0.14 -1.12 -0.08 0.00 0.03 0.00 0.00 46.19 44.89 2j6r s LEU 148 CO -0.12 0.21 0.86 -0.55 0.23 0.00 0.00 176.35 176.98 2j6r s SER 149 N -0.20 7.49 0.06 2.29 0.15 -1.26 -0.96 113.70 121.27 2j6r s SER 149 Ca 0.01 1.76 0.06 0.00 0.70 0.00 0.00 55.95 58.48 2j6r s SER 149 Cb -0.11 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.62 2j6r s SER 149 CO 0.01 0.15 -0.10 -0.76 1.20 0.00 0.00 173.24 173.75 2j6r s LEU 150 N -0.98 3.02 0.39 3.45 1.43 0.41 -1.44 118.68 124.96 2j6r s LEU 150 Ca 0.39 -0.31 0.08 0.00 -1.03 0.00 0.00 54.13 53.25 2j6r s LEU 150 Cb -0.24 -1.79 -0.06 0.00 0.03 0.00 0.00 46.19 44.13 2j6r s LEU 150 CO 0.29 0.22 0.08 0.72 0.23 0.00 0.00 176.35 177.89 2j6r s PHE 151 N -1.10 2.56 -0.08 0.29 -0.12 -0.93 -4.25 117.98 114.35 2j6r s PHE 151 Ca 0.19 -0.58 -0.03 0.00 -0.05 0.00 0.00 56.93 56.46 2j6r s PHE 151 Cb -0.11 -1.78 0.04 0.00 -0.63 0.00 0.00 43.02 40.53 2j6r s PHE 151 CO 0.11 0.35 0.06 0.00 -0.05 0.00 0.00 175.22 175.68 2j6r s ALA 152 N -2.62 0.36 -0.02 1.99 0.00 -0.61 -4.10 121.76 116.75 2j6r s ALA 152 Ca 0.37 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.34 2j6r s ALA 152 Cb 0.05 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.43 2j6r s ALA 152 CO 0.20 -0.66 0.77 -0.40 0.00 0.00 0.00 175.76 175.67 2j6r n ASP 153 N 5.27 1.54 -2.35 0.00 5.75 -1.26 -4.58 116.55 120.92 2j6r n ASP 153 Ca -0.05 -1.53 -0.05 0.00 -0.01 0.00 0.00 54.79 53.16 2j6r n ASP 153 Cb 0.50 -0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.60 2j6r n ASP 153 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2j6r n GLY 154 N -0.25 1.13 0.28 6.12 0.00 -1.26 -5.04 105.19 106.17 2j6r n GLY 154 Ca 0.00 -1.14 0.17 0.00 0.00 0.00 0.00 46.02 45.05 2j6r n GLY 154 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2j6r h LEU 155 N 0.00 0.00 -3.32 0.99 3.38 -1.98 -1.33 115.31 113.04 2j6r h LEU 155 Ca -0.21 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 2j6r h LEU 155 Cb 0.84 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 2j6r h LEU 155 CO 0.28 0.05 0.09 -1.54 0.09 0.00 0.00 178.44 177.40 2j6r n SER 156 N -3.25 4.95 -4.26 -0.43 3.41 -1.26 -4.83 113.62 107.95 2j6r n SER 156 Ca -0.01 -2.91 -0.33 0.00 -0.26 0.00 0.00 58.87 55.36 2j6r n SER 156 Cb 0.24 -0.69 -0.15 0.00 -0.26 0.00 0.00 64.21 63.36 2j6r n SER 156 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2j6r s SER 157 N -0.73 3.71 0.29 4.04 0.01 -0.50 -3.59 113.70 116.93 2j6r s SER 157 Ca 0.48 -0.47 -0.30 0.00 1.31 0.00 0.00 55.95 56.98 2j6r s SER 157 Cb 0.37 -1.58 -0.12 0.00 0.21 0.00 0.00 66.02 64.91 2j6r s SER 157 CO 0.13 0.07 1.54 2.30 0.41 0.00 0.00 173.24 177.70 2j6r n ILE 158 N 4.15 1.11 -1.14 1.44 -5.35 -0.20 -2.32 119.36 117.06 2j6r n ILE 158 Ca -0.19 -0.28 -0.05 0.00 -0.27 0.00 0.00 62.75 61.96 2j6r n ILE 158 Cb 0.52 -1.86 -0.02 0.00 -1.74 0.00 0.00 39.64 36.53 2j6r n ILE 158 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2j6r n PHE 159 N 1.91 0.00 -1.67 4.28 3.72 -0.32 -4.68 117.46 120.70 2j6r n PHE 159 Ca 0.08 0.00 -0.47 0.00 -0.05 0.00 0.00 57.45 57.01 2j6r n PHE 159 Cb 0.36 -1.18 -0.05 0.00 -0.94 0.00 0.00 39.48 37.67 2j6r n PHE 159 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2j6r n TYR 160 N -2.84 2.23 0.00 1.38 9.36 -0.98 -0.49 117.16 125.82 2j6r n TYR 160 Ca -0.05 0.22 0.00 0.00 3.32 0.00 0.00 57.90 61.39 2j6r n TYR 160 Cb 0.17 -2.56 0.00 0.00 -0.63 0.00 0.00 39.34 36.32 2j6r n TYR 160 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2j6r n GLY 161 N 3.67 1.89 0.10 2.98 0.00 -1.26 -0.82 105.19 111.76 2j6r n GLY 161 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 2j6r n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j6r n GLY 162 N -0.30 -0.47 2.37 -0.02 0.00 0.35 -4.63 105.19 102.50 2j6r n GLY 162 Ca 0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 2j6r n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2j6r n LEU 163 N -0.23 1.43 -4.72 0.99 4.77 -1.22 -4.88 117.00 113.14 2j6r n LEU 163 Ca 0.02 -4.92 -0.42 0.00 -0.03 0.00 0.00 56.01 50.66 2j6r n LEU 163 Cb 0.09 0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2j6r n LEU 163 CO 0.04 2.00 1.27 -2.16 -1.33 0.00 0.00 177.39 177.21 2j6r s PRO 164 N -1.39 4.18 0.29 3.23 0.04 -1.26 -1.58 135.00 138.51 2j6r s PRO 164 Ca 0.35 2.45 -0.23 0.00 0.04 0.00 0.00 61.00 63.61 2j6r s PRO 164 Cb 0.12 -3.12 -0.09 0.00 0.04 0.00 0.00 34.50 31.45 2j6r s PRO 164 CO -0.10 -0.65 0.85 0.50 0.04 0.00 0.00 177.00 177.64 2j6r s ARG 165 N 1.01 4.41 0.00 4.56 3.52 -1.26 -4.48 118.95 126.70 2j6r s ARG 165 Ca 0.71 1.11 0.00 0.00 -0.13 0.00 0.00 55.73 57.42 2j6r s ARG 165 Cb -0.46 -2.79 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 2j6r s ARG 165 CO 0.33 0.31 0.00 0.41 -0.81 0.00 0.00 175.30 175.53 2j6r n GLY 166 N 0.53 1.42 0.33 8.12 0.00 -1.26 -4.93 105.19 109.40 2j6r n GLY 166 Ca 0.01 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 45.93 2j6r n GLY 166 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2j6r n SER 167 N 0.00 2.01 -4.72 1.61 7.64 -1.26 -4.94 113.62 113.96 2j6r n SER 167 Ca 0.00 -3.42 -0.32 0.00 1.01 0.00 0.00 58.87 56.15 2j6r n SER 167 Cb 0.00 -0.47 0.12 0.00 -1.01 0.00 0.00 64.21 62.85 2j6r n SER 167 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2j6r s GLU 168 N -2.95 1.75 0.53 1.43 1.03 -1.26 -0.32 118.70 118.91 2j6r s GLU 168 Ca 0.34 1.44 -0.21 0.00 0.03 0.00 0.00 54.97 56.58 2j6r s GLU 168 Cb 0.32 -1.82 -0.07 0.00 -0.80 0.00 0.00 34.13 31.76 2j6r s GLU 168 CO -0.02 -2.07 1.00 1.28 -1.33 0.00 0.00 175.26 174.13 2j6r n LEU 169 N -3.61 3.37 -0.98 1.83 4.77 -1.26 -4.35 117.00 116.78 2j6r n LEU 169 Ca 0.11 0.90 0.01 0.00 -0.03 0.00 0.00 56.01 57.00 2j6r n LEU 169 Cb 0.52 -1.39 0.15 0.00 -2.33 0.00 0.00 43.42 40.38 2j6r n LEU 169 CO 0.50 -1.64 0.29 -0.24 -1.33 0.00 0.00 177.39 174.97 2j6r n SER 170 N -0.28 2.08 -3.69 -1.43 2.88 -1.26 -4.72 113.62 107.21 2j6r n SER 170 Ca 0.12 -3.59 -0.11 0.00 -1.33 0.00 0.00 58.87 53.95 2j6r n SER 170 Cb 0.44 -0.47 -0.10 0.00 -0.75 0.00 0.00 64.21 63.33 2j6r n SER 170 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2j6r s ALA 171 N -2.89 -1.23 0.19 -1.46 0.00 -1.24 -0.99 121.76 114.13 2j6r s ALA 171 Ca 0.39 1.61 -0.12 0.00 0.00 0.00 0.00 51.96 53.85 2j6r s ALA 171 Cb 0.38 -0.96 0.21 0.00 0.00 0.00 0.00 23.12 22.75 2j6r s ALA 171 CO -0.07 -0.27 1.75 0.78 0.00 0.00 0.00 175.76 177.95 2j6r h GLY 172 N 6.46 0.73 0.57 0.00 0.00 -1.63 -1.74 103.07 107.45 2j6r h GLY 172 Ca -0.32 -0.10 0.06 0.00 0.00 0.00 0.00 47.33 46.97 2j6r h GLY 172 CO 0.24 -0.00 0.18 1.48 0.00 0.00 0.00 176.54 178.44 2j6r h SER 173 N 0.37 0.20 -0.53 0.19 4.64 -1.88 -0.63 113.55 115.92 2j6r h SER 173 Ca 0.26 0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.57 2j6r h SER 173 Cb 0.30 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 2j6r h SER 173 CO -0.27 0.14 0.06 0.00 -0.87 0.00 0.00 176.83 175.89 2j6r h ALA 174 N 1.32 0.70 -0.77 5.18 0.00 -1.89 -1.22 119.26 122.57 2j6r h ALA 174 Ca 0.23 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2j6r h ALA 174 Cb 0.23 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2j6r h ALA 174 CO -0.23 0.46 0.47 0.00 0.00 0.00 0.00 179.25 179.95 2j6r h ALA 175 N 0.97 0.98 0.00 0.00 0.00 -1.04 -1.93 119.26 118.24 2j6r h ALA 175 Ca 0.16 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2j6r h ALA 175 Cb 0.44 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2j6r h ALA 175 CO 0.02 0.44 -0.38 0.00 0.00 0.00 0.00 179.25 179.33 2j6r h ALA 176 N 1.25 0.95 -0.51 0.00 0.00 -0.93 -1.32 119.26 118.70 2j6r h ALA 176 Ca 0.28 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2j6r h ALA 176 Cb -0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2j6r h ALA 176 CO -0.05 0.47 -0.15 0.93 0.00 0.00 0.00 179.25 180.45 2j6r h GLU 177 N 0.00 0.99 -0.20 0.00 4.39 -1.00 -2.13 114.58 116.63 2j6r h GLU 177 Ca -0.00 -0.38 -0.14 0.00 0.34 0.00 0.00 59.36 59.18 2j6r h GLU 177 Cb 0.95 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 2j6r h GLU 177 CO 0.05 1.06 -0.41 -0.09 -1.16 0.00 0.00 179.01 178.46 2j6r h ARG 178 N 0.87 0.63 -0.68 2.33 2.43 -0.96 -0.12 114.38 118.87 2j6r h ARG 178 Ca 0.13 -0.41 -0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2j6r h ARG 178 Cb 0.71 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.28 2j6r h ARG 178 CO 0.05 1.03 0.42 1.79 -1.51 0.00 0.00 179.97 181.75 2j6r h THR 179 N 0.31 1.19 -0.33 0.20 1.35 -1.28 -2.11 112.91 112.25 2j6r h THR 179 Ca 0.01 -0.40 0.03 0.00 -0.55 0.00 0.00 66.41 65.50 2j6r h THR 179 Cb 1.01 0.23 -0.03 0.00 -1.73 0.00 0.00 68.15 67.63 2j6r h THR 179 CO 0.09 0.19 0.15 0.50 -0.25 0.00 0.00 175.52 176.20 2j6r h LYS 180 N 0.92 0.30 -0.54 4.72 3.64 -1.25 0.27 116.57 124.63 2j6r h LYS 180 Ca 0.25 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2j6r h LYS 180 Cb -0.05 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 2j6r h LYS 180 CO -0.05 0.20 0.33 1.25 -2.27 0.00 0.00 179.45 178.91 2j6r h LEU 181 N 0.31 0.65 -0.00 5.20 5.85 -0.57 -1.77 115.31 124.98 2j6r h LEU 181 Ca 0.14 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2j6r h LEU 181 Cb 0.07 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2j6r h LEU 181 CO -0.11 0.51 0.00 0.49 -0.34 0.00 0.00 178.44 178.99 2j6r n PHE 182 N -4.66 0.10 0.00 1.25 3.72 -0.83 -4.93 117.46 112.11 2j6r n PHE 182 Ca 0.03 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 2j6r n PHE 182 Cb 0.05 -0.55 0.00 0.00 -0.94 0.00 0.00 39.48 38.05 2j6r n PHE 182 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2j6r n GLY 183 N 1.42 1.26 0.00 1.37 0.00 -0.67 -4.65 105.19 103.93 2j6r n GLY 183 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2j6r n GLY 183 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2j6r n SER 184 N 0.00 0.00 -4.77 1.61 2.88 0.86 -4.98 113.62 109.22 2j6r n SER 184 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 2j6r n SER 184 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 2j6r n SER 184 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2j6r s LEU 185 N 0.00 4.27 0.66 2.46 1.43 -1.26 -4.00 118.68 122.24 2j6r s LEU 185 Ca 0.00 2.71 -0.03 0.00 -1.03 0.00 0.00 54.13 55.78 2j6r s LEU 185 Cb 0.00 -3.82 0.06 0.00 0.03 0.00 0.00 46.19 42.46 2j6r s LEU 185 CO 0.00 -0.79 0.93 -0.94 0.23 0.00 0.00 176.35 175.78 2j6r s SER 186 N -0.61 4.87 0.20 2.29 1.04 -1.26 -2.90 113.70 117.33 2j6r s SER 186 Ca 0.55 0.18 -0.10 0.00 0.48 0.00 0.00 55.95 57.05 2j6r s SER 186 Cb -0.40 -0.86 0.24 0.00 0.10 0.00 0.00 66.02 65.10 2j6r s SER 186 CO 0.52 -1.50 1.78 -0.09 0.98 0.00 0.00 173.24 174.92 2j6r h ARG 187 N -0.38 0.53 -0.69 4.02 2.43 -1.96 -0.94 114.38 117.38 2j6r h ARG 187 Ca -0.43 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.69 2j6r h ARG 187 Cb 1.30 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 2j6r h ARG 187 CO 0.54 0.35 0.36 -0.91 -1.51 0.00 0.00 179.97 178.80 2j6r h ASN 188 N 0.54 0.89 -0.35 -3.80 2.35 -1.97 -1.32 115.58 111.91 2j6r h ASN 188 Ca 0.29 -0.11 0.04 0.00 -0.55 0.00 0.00 56.30 55.96 2j6r h ASN 188 Cb 0.26 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.36 2j6r h ASN 188 CO -0.22 0.75 0.12 0.44 -1.65 0.00 0.00 177.43 176.87 2j6r h ASP 189 N 0.96 0.13 0.05 5.81 3.32 -1.84 -0.80 116.42 124.05 2j6r h ASP 189 Ca 0.24 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.34 2j6r h ASP 189 Cb 0.08 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2j6r h ASP 189 CO -0.03 0.11 -0.08 0.40 -1.72 0.00 0.00 179.24 177.92 2j6r h ILE 190 N 0.27 0.81 -0.57 0.35 2.04 -0.92 -0.90 117.51 118.60 2j6r h ILE 190 Ca 0.16 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.13 2j6r h ILE 190 Cb 0.13 0.81 -0.08 0.00 -0.74 0.00 0.00 36.82 36.94 2j6r h ILE 190 CO -0.16 0.00 0.10 0.25 0.00 0.00 0.00 178.15 178.34 2j6r h LEU 191 N -0.16 -0.03 -0.39 1.44 5.85 -1.15 -1.67 115.31 119.18 2j6r h LEU 191 Ca 0.01 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.87 2j6r h LEU 191 Cb 0.17 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 2j6r h LEU 191 CO -0.04 -0.00 0.21 1.23 -0.34 0.00 0.00 178.44 179.50 2j6r h GLY 192 N 0.23 0.54 0.96 3.75 0.00 -0.92 0.03 103.07 107.66 2j6r h GLY 192 Ca 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 2j6r h GLY 192 CO -0.40 0.12 0.18 1.46 0.00 0.00 0.00 176.54 177.90 2j6r h GLN 193 N 0.43 0.45 -0.26 4.80 4.20 -0.76 -2.38 115.11 121.59 2j6r h GLN 193 Ca 0.16 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 2j6r h GLN 193 Cb 0.04 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2j6r h GLN 193 CO -0.10 0.38 0.15 0.82 -0.67 0.00 0.00 178.83 179.42 2j6r h ILE 194 N 0.40 1.11 0.00 2.54 2.04 -0.93 -3.03 117.51 119.64 2j6r h ILE 194 Ca 0.11 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 2j6r h ILE 194 Cb 0.06 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2j6r h ILE 194 CO -0.02 0.11 -0.12 0.06 0.00 0.00 0.00 178.15 178.18 2j6r h GLN 195 N 0.32 0.00 0.00 2.37 3.07 -0.91 0.14 115.11 120.10 2j6r h GLN 195 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.82 2j6r h GLN 195 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.60 2j6r h GLN 195 CO -0.02 0.12 -0.05 0.00 0.09 0.00 0.00 178.83 178.97 2j6r h ARG 196 N 0.00 0.00 0.00 0.06 -0.00 -1.30 -3.02 114.38 110.12 2j6r h ARG 196 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2j6r h ARG 196 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.67 2j6r h ARG 196 CO 0.02 0.05 -0.69 0.28 0.00 0.00 0.00 179.97 179.63 2j6r n VAL 197 N -3.43 1.36 -3.52 2.04 0.31 -0.50 -4.85 118.33 109.74 2j6r n VAL 197 Ca -0.02 0.20 -0.42 0.00 -0.01 0.00 0.00 64.34 64.10 2j6r n VAL 197 Cb 0.18 -2.32 -0.07 0.00 -0.91 0.00 0.00 33.84 30.73 2j6r n VAL 197 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2j6r s ASN 198 N -5.68 5.91 0.39 4.52 0.01 0.36 -4.93 114.94 115.52 2j6r s ASN 198 Ca -0.20 -2.43 0.28 0.00 -0.71 0.00 0.00 52.86 49.80 2j6r s ASN 198 Cb 0.03 -2.04 1.17 0.00 0.41 0.00 0.00 41.25 40.83 2j6r s ASN 198 CO 0.30 -0.57 1.84 0.00 -1.51 0.00 0.00 177.10 177.16 2j6r h ALA 199 N 7.84 1.00 -0.11 0.60 0.00 -1.79 -1.87 119.26 124.93 2j6r h ALA 199 Ca -0.06 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2j6r h ALA 199 Cb 1.03 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2j6r h ALA 199 CO 0.79 0.00 0.10 -2.95 0.00 0.00 0.00 179.25 177.19 2j6r h ASN 200 N 0.00 0.00 -3.23 0.00 -1.07 -1.88 -3.42 115.58 105.98 2j6r h ASN 200 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 56.30 55.79 2j6r h ASN 200 Cb 0.41 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.60 2j6r h ASN 200 CO 0.00 0.00 0.81 -0.63 0.07 0.00 0.00 177.43 177.68 2j6r s ILE 201 N -4.80 4.58 -0.13 6.14 -1.09 -0.70 -4.13 121.20 121.08 2j6r s ILE 201 Ca -0.05 1.82 0.02 0.00 -2.23 0.00 0.00 60.65 60.22 2j6r s ILE 201 Cb 0.16 -4.37 -0.02 0.00 -1.58 0.00 0.00 42.46 36.65 2j6r s ILE 201 CO 0.60 -0.36 0.14 0.35 -1.23 0.00 0.00 174.94 174.44 2j6r n THR 202 N 5.66 0.00 -3.74 2.92 -2.24 0.24 -4.66 114.28 112.46 2j6r n THR 202 Ca 0.12 -0.45 -0.07 0.00 -2.27 0.00 0.00 64.05 61.38 2j6r n THR 202 Cb 0.47 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.68 2j6r n THR 202 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2j6r s SER 203 N -1.15 -0.30 -0.08 3.42 1.04 -1.19 -5.08 113.70 110.36 2j6r s SER 203 Ca 0.01 -0.42 0.05 0.00 0.48 0.00 0.00 55.95 56.07 2j6r s SER 203 Cb 0.02 0.63 -0.00 0.00 0.10 0.00 0.00 66.02 66.76 2j6r s SER 203 CO 0.09 -1.13 -0.24 -0.76 0.98 0.00 0.00 173.24 172.18 2j6r s LEU 204 N -2.87 2.06 0.04 2.42 1.43 -1.26 -1.16 118.68 119.35 2j6r s LEU 204 Ca 0.09 -0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 52.36 2j6r s LEU 204 Cb -0.04 -1.36 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 2j6r s LEU 204 CO 0.01 0.19 1.21 -0.69 0.23 0.00 0.00 176.35 177.31 2j6r s VAL 205 N 0.11 4.03 -0.23 -1.59 1.01 -0.29 -4.76 120.40 118.69 2j6r s VAL 205 Ca -0.11 1.45 -0.29 0.00 0.00 0.00 0.00 61.98 63.02 2j6r s VAL 205 Cb -0.16 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.30 2j6r s VAL 205 CO 0.06 0.09 1.16 -0.62 0.00 0.00 0.00 175.10 175.79 2j6r s ASP 206 N 1.15 6.97 -0.15 3.32 2.15 -1.26 -0.59 116.67 128.25 2j6r s ASP 206 Ca 0.59 1.42 -0.07 0.00 0.43 0.00 0.00 52.55 54.92 2j6r s ASP 206 Cb -0.29 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.75 2j6r s ASP 206 CO 0.28 -0.78 0.09 -0.69 -0.17 0.00 0.00 175.17 173.90 2j6r s VAL 207 N 3.52 5.10 0.40 1.11 1.01 -0.73 -4.93 120.40 125.88 2j6r s VAL 207 Ca 0.50 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 62.38 2j6r s VAL 207 Cb -0.17 -3.26 -0.09 0.00 0.00 0.00 0.00 36.38 32.86 2j6r s VAL 207 CO 0.12 0.53 0.84 0.00 0.00 0.00 0.00 175.10 176.60 2j6r s ALA 208 N -0.29 3.20 0.00 5.51 0.00 -1.26 -2.65 121.76 126.28 2j6r s ALA 208 Ca 0.10 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2j6r s ALA 208 Cb -0.12 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2j6r s ALA 208 CO 0.01 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.32 2j6r n GLY 209 N -0.77 -1.80 3.22 0.00 0.00 -0.17 -4.96 105.19 100.71 2j6r n GLY 209 Ca 0.05 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 43.92 2j6r n GLY 209 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2j6r s SER 210 N -4.00 -0.09 0.01 1.61 1.04 -1.26 -3.72 113.70 107.29 2j6r s SER 210 Ca 0.00 -0.17 -0.08 0.00 0.48 0.00 0.00 55.95 56.18 2j6r s SER 210 Cb 0.00 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2j6r s SER 210 CO 0.00 -0.53 0.16 -0.31 0.98 0.00 0.00 173.24 173.53 2j6r s TYR 211 N -2.12 0.04 0.28 5.02 1.51 -0.52 -4.87 117.35 116.69 2j6r s TYR 211 Ca -0.08 -0.15 0.02 0.00 -1.01 0.00 0.00 57.07 55.85 2j6r s TYR 211 Cb -0.03 -0.04 -0.03 0.00 -0.11 0.00 0.00 41.96 41.75 2j6r s TYR 211 CO -0.01 -0.32 0.44 -0.98 -1.11 0.00 0.00 175.55 173.57 2j6r s ARG 212 N -1.62 3.47 -0.03 -0.62 1.70 -1.26 -2.19 118.95 118.39 2j6r s ARG 212 Ca -0.13 -0.53 0.01 0.00 -0.47 0.00 0.00 55.73 54.61 2j6r s ARG 212 Cb -0.06 -2.79 0.02 0.00 -0.57 0.00 0.00 34.95 31.55 2j6r s ARG 212 CO 0.01 0.31 -0.04 -2.00 -1.08 0.00 0.00 175.30 172.49 2j6r s GLU 213 N -4.05 0.67 0.00 3.89 2.56 -1.26 -5.02 118.70 115.48 2j6r s GLU 213 Ca 0.37 -0.10 0.20 0.00 0.00 0.00 0.00 54.97 55.43 2j6r s GLU 213 Cb -0.09 -0.69 0.08 0.00 2.00 0.00 0.00 34.13 35.42 2j6r s GLU 213 CO 0.32 -0.04 1.06 0.27 -0.56 0.00 0.00 175.26 176.31 2j6r n ASN 214 N 3.79 2.27 0.00 -1.70 0.23 -1.24 -1.03 115.26 117.59 2j6r n ASN 214 Ca -0.23 -1.63 0.00 0.00 -0.53 0.00 0.00 54.58 52.18 2j6r n ASN 214 Cb 0.52 0.23 0.00 0.00 -2.08 0.00 0.00 39.78 38.45 2j6r n ASN 214 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 2j6r n MET 215 N 0.56 0.00 -3.03 -3.83 2.81 -1.26 -4.83 117.12 107.53 2j6r n MET 215 Ca 0.10 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.58 2j6r n MET 215 Cb 0.46 -2.11 -0.06 0.00 -0.71 0.00 0.00 33.22 30.80 2j6r n MET 215 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2j6r s GLU 216 N -0.00 4.05 -0.08 0.03 8.01 -1.21 -0.93 118.70 128.56 2j6r s GLU 216 Ca 0.00 0.57 -0.06 0.00 0.01 0.00 0.00 54.97 55.49 2j6r s GLU 216 Cb 0.00 -3.68 0.02 0.00 -4.31 0.00 0.00 34.13 26.16 2j6r s GLU 216 CO 0.00 -0.53 0.19 0.71 0.01 0.00 0.00 175.26 175.65 2j6r s TYR 217 N 2.69 -0.22 -0.48 1.61 1.51 -1.26 -4.97 117.35 116.23 2j6r s TYR 217 Ca 0.29 0.54 0.05 0.00 -1.01 0.00 0.00 57.07 56.94 2j6r s TYR 217 Cb -0.15 0.05 0.01 0.00 -0.11 0.00 0.00 41.96 41.76 2j6r s TYR 217 CO 0.10 -0.13 0.51 0.25 -1.11 0.00 0.00 175.55 175.17 2j6r n THR 218 N 3.31 0.00 0.10 -0.71 -2.24 -1.26 -4.65 114.28 108.83 2j6r n THR 218 Ca -0.16 -0.47 0.07 0.00 -2.27 0.00 0.00 64.05 61.22 2j6r n THR 218 Cb 0.57 1.07 0.25 0.00 -2.10 0.00 0.00 70.33 70.12 2j6r n THR 218 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2j6r n ASP 219 N -0.15 3.34 0.00 3.42 5.75 -1.26 -4.91 116.55 122.74 2j6r n ASP 219 Ca 0.02 -2.23 0.00 0.00 -0.01 0.00 0.00 54.79 52.58 2j6r n ASP 219 Cb 0.10 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 2j6r n ASP 219 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2j6r n GLY 220 N 1.03 1.00 3.75 6.12 0.00 -1.26 -4.50 105.19 111.34 2j6r n GLY 220 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2j6r n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j6r s THR 221 N -2.79 2.05 0.29 2.61 2.01 -1.26 -4.53 115.64 114.01 2j6r s THR 221 Ca 0.00 0.04 0.11 0.00 0.31 0.00 0.00 61.69 62.15 2j6r s THR 221 Cb 0.00 -3.03 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 2j6r s THR 221 CO 0.00 0.01 -0.18 0.68 -0.69 0.00 0.00 174.62 174.44 2j6r s VAL 222 N -0.17 2.38 -0.03 3.82 -7.23 -0.84 -4.53 120.40 113.79 2j6r s VAL 222 Ca 0.62 -2.36 0.06 0.00 -1.81 0.00 0.00 61.98 58.49 2j6r s VAL 222 Cb -0.48 -2.34 -0.01 0.00 0.56 0.00 0.00 36.38 34.10 2j6r s VAL 222 CO 0.50 -0.38 -0.22 -0.69 -0.31 0.00 0.00 175.10 174.01 2j6r s VAL 223 N -2.57 1.73 -0.07 1.32 1.01 0.39 -2.07 120.40 120.14 2j6r s VAL 223 Ca 0.30 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.41 2j6r s VAL 223 Cb -0.03 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.90 2j6r s VAL 223 CO 0.15 0.49 -0.22 -0.55 0.00 0.00 0.00 175.10 174.97 2j6r s SER 224 N -0.37 2.78 0.05 3.32 0.15 -0.38 -1.21 113.70 118.05 2j6r s SER 224 Ca 0.05 -0.48 -0.06 0.00 0.70 0.00 0.00 55.95 56.15 2j6r s SER 224 Cb -0.10 -1.01 -0.01 0.00 -1.71 0.00 0.00 66.02 63.19 2j6r s SER 224 CO 0.00 0.18 0.11 0.00 1.20 0.00 0.00 173.24 174.73 2j6r s ALA 225 N 0.14 -0.05 -0.00 5.45 0.00 -1.26 -0.52 121.76 125.52 2j6r s ALA 225 Ca -0.10 -0.64 -0.08 0.00 0.00 0.00 0.00 51.96 51.14 2j6r s ALA 225 Cb -0.15 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.29 2j6r s ALA 225 CO 0.05 -0.38 0.15 0.00 0.00 0.00 0.00 175.76 175.58 2j6r s ALA 226 N -3.15 -0.37 0.02 0.00 0.00 -0.37 -1.53 121.76 116.35 2j6r s ALA 226 Ca -0.00 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 51.94 2j6r s ALA 226 Cb 0.02 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 2j6r s ALA 226 CO -0.07 -0.20 -0.13 -0.47 0.00 0.00 0.00 175.76 174.88 2j6r s TYR 227 N -1.28 1.18 -0.10 0.00 6.14 0.36 -1.65 117.35 122.00 2j6r s TYR 227 Ca -0.14 -0.29 -0.06 0.00 0.64 0.00 0.00 57.07 57.22 2j6r s TYR 227 Cb -0.07 -0.73 0.04 0.00 0.42 0.00 0.00 41.96 41.62 2j6r s TYR 227 CO 0.02 0.01 0.25 0.00 0.64 0.00 0.00 175.55 176.47 2j6r s ALA 228 N -0.61 -0.59 -0.08 3.97 0.00 -0.47 -0.99 121.76 122.99 2j6r s ALA 228 Ca 0.03 0.92 0.03 0.00 0.00 0.00 0.00 51.96 52.94 2j6r s ALA 228 Cb -0.07 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.49 2j6r s ALA 228 CO 0.00 -0.18 -0.16 -1.17 0.00 0.00 0.00 175.76 174.26 2j6r s LEU 229 N 0.93 1.78 0.00 0.00 2.96 0.11 -1.09 118.68 123.37 2j6r s LEU 229 Ca -0.07 -0.39 -0.15 0.00 -0.22 0.00 0.00 54.13 53.31 2j6r s LEU 229 Cb -0.08 -1.02 0.06 0.00 0.50 0.00 0.00 46.19 45.65 2j6r s LEU 229 CO -0.06 0.07 0.81 0.61 -1.32 0.00 0.00 176.35 176.46 2j6r n GLY 230 N 3.76 0.96 3.50 7.98 0.00 -0.52 -0.21 105.19 120.66 2j6r n GLY 230 Ca -0.21 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.16 2j6r n GLY 230 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j6r s ILE 231 N -2.09 5.06 0.51 -0.61 1.01 0.13 -0.44 121.20 124.77 2j6r s ILE 231 Ca 0.16 -0.26 -0.19 0.00 0.00 0.00 0.00 60.65 60.36 2j6r s ILE 231 Cb -0.05 -3.58 -0.08 0.00 0.01 0.00 0.00 42.46 38.76 2j6r s ILE 231 CO 0.12 0.03 1.05 0.00 0.00 0.00 0.00 174.94 176.13 2j6r s ALA 232 N 1.69 2.84 0.03 9.38 0.00 -1.26 -0.44 121.76 133.99 2j6r s ALA 232 Ca 0.06 0.59 -0.37 0.00 0.00 0.00 0.00 51.96 52.23 2j6r s ALA 232 Cb -0.17 -3.26 -0.17 0.00 0.00 0.00 0.00 23.12 19.53 2j6r s ALA 232 CO 0.09 -0.42 1.41 -1.71 0.00 0.00 0.00 175.76 175.14 2j6r n ASN 233 N -1.15 1.78 0.00 0.00 5.15 -1.07 -1.22 115.26 118.75 2j6r n ASN 233 Ca 0.09 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 55.18 2j6r n ASN 233 Cb 0.52 -1.18 0.00 0.00 -0.53 0.00 0.00 39.78 38.59 2j6r n ASN 233 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2j6r n GLY 234 N 2.81 1.22 3.86 8.20 0.00 -0.06 -4.93 105.19 116.29 2j6r n GLY 234 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 2j6r n GLY 234 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j6r s GLN 235 N -0.57 3.59 0.21 1.61 -0.21 -0.36 -4.69 119.66 119.24 2j6r s GLN 235 Ca 0.00 0.79 0.09 0.00 0.02 0.00 0.00 55.36 56.26 2j6r s GLN 235 Cb 0.00 -2.08 -0.04 0.00 1.00 0.00 0.00 33.01 31.89 2j6r s GLN 235 CO 0.00 -0.58 -0.03 0.95 -2.12 0.00 0.00 175.29 173.51 2j6r s THR 236 N -3.10 3.45 -0.15 -0.19 -4.23 -1.26 -1.12 115.64 109.04 2j6r s THR 236 Ca 0.56 -1.69 -0.01 0.00 -1.18 0.00 0.00 61.69 59.37 2j6r s THR 236 Cb -0.11 -2.77 -0.01 0.00 1.34 0.00 0.00 72.50 70.95 2j6r s THR 236 CO 0.51 -0.22 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.62 2j6r s ILE 237 N -1.96 3.01 -0.26 2.99 1.01 0.34 -1.30 121.20 125.03 2j6r s ILE 237 Ca 0.28 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.29 2j6r s ILE 237 Cb -0.08 -2.29 0.05 0.00 0.01 0.00 0.00 42.46 40.16 2j6r s ILE 237 CO 0.18 0.51 -0.10 -1.61 0.00 0.00 0.00 174.94 173.92 2j6r s GLU 238 N 0.65 2.40 -0.25 2.79 2.02 0.12 -0.28 118.70 126.16 2j6r s GLU 238 Ca -0.07 -1.25 -0.15 0.00 0.02 0.00 0.00 54.97 53.53 2j6r s GLU 238 Cb -0.15 -2.90 -0.04 0.00 0.10 0.00 0.00 34.13 31.13 2j6r s GLU 238 CO 0.02 -0.52 0.35 0.00 0.02 0.00 0.00 175.26 175.13 2j6r s ALA 239 N 1.16 3.57 -0.31 5.21 0.00 0.39 -0.67 121.76 131.11 2j6r s ALA 239 Ca -0.06 -0.76 -0.06 0.00 0.00 0.00 0.00 51.96 51.08 2j6r s ALA 239 Cb -0.19 -2.64 0.02 0.00 0.00 0.00 0.00 23.12 20.31 2j6r s ALA 239 CO -0.05 -0.51 0.07 0.99 0.00 0.00 0.00 175.76 176.25 2j6r s THR 240 N 1.76 3.74 0.10 0.00 2.01 -0.16 -0.49 115.64 122.60 2j6r s THR 240 Ca 0.15 -0.92 -0.20 0.00 0.31 0.00 0.00 61.69 61.03 2j6r s THR 240 Cb -0.15 -3.00 -0.07 0.00 0.01 0.00 0.00 72.50 69.28 2j6r s THR 240 CO 0.09 -0.01 0.61 -0.36 -0.69 0.00 0.00 174.62 174.26 2j6r s PHE 241 N 1.44 3.80 0.34 4.92 0.40 0.96 -2.04 117.98 127.80 2j6r s PHE 241 Ca 0.00 1.32 0.02 0.00 -0.60 0.00 0.00 56.93 57.67 2j6r s PHE 241 Cb -0.18 -2.54 0.61 0.00 0.51 0.00 0.00 43.02 41.42 2j6r s PHE 241 CO 0.02 0.55 1.99 -0.91 0.70 0.00 0.00 175.22 177.56 2j6r h ASN 242 N 4.36 0.72 -3.46 1.36 2.35 -1.39 -3.43 115.58 116.10 2j6r h ASN 242 Ca -0.49 -0.03 -0.49 0.00 -0.55 0.00 0.00 56.30 54.74 2j6r h ASN 242 Cb 1.21 -0.18 -0.17 0.00 0.05 0.00 0.00 38.32 39.23 2j6r h ASN 242 CO 0.64 0.55 -0.76 -1.10 -1.65 0.00 0.00 177.43 175.11 2j6r s GLN 243 N -5.65 1.28 0.23 0.81 -0.21 -1.26 -5.11 119.66 109.74 2j6r s GLN 243 Ca -0.10 -1.46 -0.30 0.00 0.02 0.00 0.00 55.36 53.52 2j6r s GLN 243 Cb 0.17 -1.23 -0.15 0.00 1.00 0.00 0.00 33.01 32.80 2j6r s GLN 243 CO 0.77 0.23 1.02 0.00 -2.12 0.00 0.00 175.29 175.19 2j6r n ALA 244 N 0.08 -0.79 -2.51 6.09 0.00 -1.26 -4.75 120.51 117.36 2j6r n ALA 244 Ca -0.12 0.43 -0.43 0.00 0.00 0.00 0.00 53.44 53.33 2j6r n ALA 244 Cb 0.58 -1.97 -0.08 0.00 0.00 0.00 0.00 19.45 17.98 2j6r n ALA 244 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2j6r s VAL 245 N -0.67 5.01 -0.29 0.00 1.01 0.60 -4.90 120.40 121.15 2j6r s VAL 245 Ca 0.66 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.58 2j6r s VAL 245 Cb -0.80 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 31.52 2j6r s VAL 245 CO 0.56 -0.42 0.40 0.35 0.00 0.00 0.00 175.10 175.99 2j6r n THR 246 N 5.54 0.00 -4.11 3.92 -2.24 -1.26 -4.91 114.28 111.21 2j6r n THR 246 Ca -0.05 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.16 2j6r n THR 246 Cb 0.48 1.04 -0.09 0.00 -2.10 0.00 0.00 70.33 69.66 2j6r n THR 246 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2j6r s THR 247 N -0.70 0.07 0.31 4.28 -1.32 -1.26 -5.07 115.64 111.94 2j6r s THR 247 Ca 0.03 -1.80 -0.29 0.00 -1.21 0.00 0.00 61.69 58.41 2j6r s THR 247 Cb 0.03 -2.08 -0.12 0.00 -1.51 0.00 0.00 72.50 68.81 2j6r s THR 247 CO 0.07 -0.34 1.42 -1.20 -2.21 0.00 0.00 174.62 172.36 2j6r n SER 248 N -0.16 3.15 -3.58 8.08 7.64 -1.26 -4.88 113.62 122.60 2j6r n SER 248 Ca -0.05 1.18 -0.11 0.00 1.01 0.00 0.00 58.87 60.90 2j6r n SER 248 Cb 0.64 -1.51 -0.04 0.00 -1.01 0.00 0.00 64.21 62.28 2j6r n SER 248 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2j6r s THR 249 N -0.59 0.05 -0.03 0.44 -1.32 0.11 -4.99 115.64 109.30 2j6r s THR 249 Ca 0.60 -0.40 0.02 0.00 -1.21 0.00 0.00 61.69 60.70 2j6r s THR 249 Cb -0.56 -1.09 -0.03 0.00 -1.51 0.00 0.00 72.50 69.31 2j6r s THR 249 CO 0.56 -0.22 -0.08 -1.10 -2.21 0.00 0.00 174.62 171.57 2j6r s GLN 250 N -3.47 2.62 0.02 7.08 -1.52 -1.26 0.34 119.66 123.46 2j6r s GLN 250 Ca 0.01 -0.65 0.04 0.00 -1.95 0.00 0.00 55.36 52.81 2j6r s GLN 250 Cb 0.01 -2.52 -0.02 0.00 -0.22 0.00 0.00 33.01 30.26 2j6r s GLN 250 CO -0.10 0.63 -0.13 1.67 -0.25 0.00 0.00 175.29 177.11 2j6r s TRP 251 N -0.89 1.12 -0.08 0.91 1.48 -0.03 -3.80 118.94 117.64 2j6r s TRP 251 Ca 0.15 -0.29 -0.04 0.00 -1.06 0.00 0.00 56.10 54.86 2j6r s TRP 251 Cb -0.11 -0.69 0.04 0.00 -1.16 0.00 0.00 33.47 31.56 2j6r s TRP 251 CO 0.04 0.01 0.18 0.45 -4.06 0.00 0.00 176.95 173.56 2j6r s SER 252 N -0.76 0.01 -0.51 -2.66 0.15 -0.38 -1.04 113.70 108.50 2j6r s SER 252 Ca 0.02 0.37 0.05 0.00 0.70 0.00 0.00 55.95 57.09 2j6r s SER 252 Cb -0.06 0.27 0.19 0.00 -1.71 0.00 0.00 66.02 64.71 2j6r s SER 252 CO 0.00 -0.17 0.45 0.00 1.20 0.00 0.00 173.24 174.73 2j6r n ALA 253 N 4.44 3.06 -1.80 5.45 0.00 0.17 -1.02 120.51 130.80 2j6r n ALA 253 Ca -0.22 -3.70 -0.41 0.00 0.00 0.00 0.00 53.44 49.11 2j6r n ALA 253 Cb 0.52 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 19.10 2j6r n ALA 253 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2j6r s PRO 254 N -0.81 4.19 -0.23 0.00 0.02 -1.26 -3.42 135.00 133.48 2j6r s PRO 254 Ca 0.32 2.45 -0.05 0.00 0.02 0.00 0.00 61.00 63.74 2j6r s PRO 254 Cb 0.05 -3.04 -0.02 0.00 0.02 0.00 0.00 34.50 31.51 2j6r s PRO 254 CO -0.16 -0.50 0.00 -1.17 -0.33 0.00 0.00 177.00 174.84 2j6r s LEU 255 N -0.93 3.14 -0.10 -5.54 2.96 0.44 -3.93 118.68 114.71 2j6r s LEU 255 Ca 0.58 -0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 54.16 2j6r s LEU 255 Cb -0.45 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 2j6r s LEU 255 CO 0.50 -0.01 0.07 0.20 -1.32 0.00 0.00 176.35 175.79 2j6r s ASN 256 N 1.43 5.78 -0.07 3.68 0.01 0.08 0.39 114.94 126.24 2j6r s ASN 256 Ca 0.05 0.29 0.05 0.00 -0.71 0.00 0.00 52.86 52.54 2j6r s ASN 256 Cb -0.15 -1.76 -0.00 0.00 0.41 0.00 0.00 41.25 39.75 2j6r s ASN 256 CO 0.00 0.39 -0.21 -0.69 -1.51 0.00 0.00 177.10 175.08 2j6r s VAL 257 N -0.93 1.77 -0.07 1.60 1.01 0.33 -1.23 120.40 122.88 2j6r s VAL 257 Ca 0.14 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2j6r s VAL 257 Cb -0.12 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.77 2j6r s VAL 257 CO 0.03 0.50 -0.05 0.00 0.00 0.00 0.00 175.10 175.58 2j6r s ALA 258 N 0.14 0.91 -0.16 5.51 0.00 -0.24 -1.23 121.76 126.69 2j6r s ALA 258 Ca -0.09 -0.24 -0.07 0.00 0.00 0.00 0.00 51.96 51.55 2j6r s ALA 258 Cb -0.15 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 2j6r s ALA 258 CO 0.05 -0.23 0.07 0.42 0.00 0.00 0.00 175.76 176.07 2j6r s ILE 259 N 1.40 4.91 0.37 0.00 -1.09 0.14 -0.95 121.20 125.98 2j6r s ILE 259 Ca -0.03 0.00 0.04 0.00 -2.23 0.00 0.00 60.65 58.44 2j6r s ILE 259 Cb -0.13 -3.19 -0.03 0.00 -1.58 0.00 0.00 42.46 37.53 2j6r s ILE 259 CO -0.03 0.50 0.16 0.42 -1.23 0.00 0.00 174.94 174.76 2j6r s THR 260 N 0.02 0.43 0.10 2.92 -4.23 -0.77 -3.57 115.64 110.53 2j6r s THR 260 Ca 0.06 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.61 2j6r s THR 260 Cb -0.12 -2.42 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 2j6r s THR 260 CO 0.01 0.00 -0.10 -0.31 -0.54 0.00 0.00 174.62 173.67 2j6r s TYR 261 N -3.34 1.07 0.00 3.99 2.02 -1.26 -0.02 117.35 119.81 2j6r s TYR 261 Ca 0.30 -0.65 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 2j6r s TYR 261 Cb 0.03 -0.58 0.00 0.00 -0.40 0.00 0.00 41.96 41.01 2j6r s TYR 261 CO 0.18 0.00 0.30 0.98 -1.57 0.00 0.00 175.55 175.44