#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3k s MET 2 N 0.00 1.57 0.46 3.17 1.00 -1.26 -5.13 119.30 119.11 1j3k s MET 2 Ca 0.00 -1.62 -0.22 0.00 0.00 0.00 0.00 55.69 53.86 1j3k s MET 2 Cb 0.00 -1.79 -0.11 0.00 0.00 0.00 0.00 34.83 32.93 1j3k s MET 2 CO 0.00 0.37 0.66 0.39 0.00 0.00 0.00 175.02 176.44 1j3k n GLU 3 N -0.08 0.74 -3.99 2.03 1.02 -1.26 -5.03 120.64 114.07 1j3k n GLU 3 Ca -0.10 0.27 -0.36 0.00 -0.02 0.00 0.00 57.16 56.96 1j3k n GLU 3 Cb 0.58 -1.70 -0.08 0.00 -0.02 0.00 0.00 31.44 30.22 1j3k n GLU 3 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1j3k s GLN 4 N -1.84 3.56 0.22 3.49 -0.21 -1.26 -5.02 119.66 118.60 1j3k s GLN 4 Ca 0.65 -0.24 -0.08 0.00 0.02 0.00 0.00 55.36 55.70 1j3k s GLN 4 Cb -0.55 -3.14 0.36 0.00 1.00 0.00 0.00 33.01 30.67 1j3k s GLN 4 CO 0.56 0.60 1.68 0.28 -2.12 0.00 0.00 175.29 176.29 1j3k h VAL 5 N 4.29 0.54 0.00 1.09 2.07 -1.96 -1.76 116.25 120.51 1j3k h VAL 5 Ca -0.49 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1j3k h VAL 5 Cb 1.20 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1j3k h VAL 5 CO 0.62 0.04 -0.01 0.00 0.02 0.00 0.00 177.57 178.24 1j3k h ASP 7 N 0.00 0.71 -0.11 0.00 3.32 -1.69 -1.36 116.42 117.29 1j3k h ASP 7 Ca -0.00 -0.92 -0.02 0.00 0.02 0.00 0.00 57.03 56.11 1j3k h ASP 7 Cb 0.03 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 1j3k h ASP 7 CO 0.00 1.75 -0.01 0.58 -1.72 0.00 0.00 179.24 179.84 1j3k h VAL 8 N 0.12 1.27 -0.09 -1.35 2.07 -1.22 -3.25 116.25 113.80 1j3k h VAL 8 Ca -0.31 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1j3k h VAL 8 Cb 2.13 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 1j3k h VAL 8 CO 0.22 0.25 0.00 0.49 0.02 0.00 0.00 177.57 178.55 1j3k n PHE 9 N -4.78 0.10 -3.56 1.57 3.72 -0.76 -4.69 117.46 109.06 1j3k n PHE 9 Ca -0.06 -0.05 -0.18 0.00 -0.05 0.00 0.00 57.45 57.11 1j3k n PHE 9 Cb 0.22 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 1j3k n PHE 9 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1j3k n ASP 10 N 0.60 -5.80 -4.57 4.37 8.00 -0.55 -4.19 116.55 114.41 1j3k n ASP 10 Ca 0.17 -0.70 -0.38 0.00 0.71 0.00 0.00 54.79 54.60 1j3k n ASP 10 Cb 0.43 -2.92 -0.11 0.00 -0.02 0.00 0.00 41.12 38.49 1j3k n ASP 10 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1j3k s ILE 11 N -3.03 5.15 0.24 0.53 1.01 -0.98 -1.42 121.20 122.70 1j3k s ILE 11 Ca 0.04 0.12 0.09 0.00 0.00 0.00 0.00 60.65 60.89 1j3k s ILE 11 Cb -0.02 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 1j3k s ILE 11 CO 0.85 0.28 -0.14 -0.31 0.00 0.00 0.00 174.94 175.62 1j3k s TYR 12 N 1.65 1.93 0.06 3.97 2.02 0.60 -0.64 117.35 126.93 1j3k s TYR 12 Ca 0.07 -0.54 0.07 0.00 -0.37 0.00 0.00 57.07 56.31 1j3k s TYR 12 Cb -0.16 -0.93 -0.03 0.00 -0.40 0.00 0.00 41.96 40.44 1j3k s TYR 12 CO 0.09 0.44 -0.17 0.00 -1.57 0.00 0.00 175.55 174.34 1j3k s ALA 13 N -2.85 2.64 -0.02 3.71 0.00 -0.66 0.77 121.76 125.35 1j3k s ALA 13 Ca 0.26 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1j3k s ALA 13 Cb -0.01 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.39 1j3k s ALA 13 CO 0.10 0.58 0.01 -1.50 0.00 0.00 0.00 175.76 174.95 1j3k s ILE 14 N -0.98 0.04 0.30 0.00 2.07 -0.90 -0.54 121.20 121.20 1j3k s ILE 14 Ca 0.16 0.10 -0.13 0.00 -1.41 0.00 0.00 60.65 59.36 1j3k s ILE 14 Cb -0.11 -0.13 0.02 0.00 0.13 0.00 0.00 42.46 42.37 1j3k s ILE 14 CO 0.07 0.08 0.60 0.00 -1.91 0.00 0.00 174.94 173.78 1j3k s ALA 16 N -3.42 0.65 -0.03 0.00 0.00 -1.26 -1.18 121.76 116.51 1j3k s ALA 16 Ca 0.20 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.14 1j3k s ALA 16 Cb -0.03 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.62 1j3k s ALA 16 CO 0.11 -0.11 -0.13 0.00 0.00 0.00 0.00 175.76 175.63 1j3k s LYS 19 N -3.76 4.01 -0.12 0.00 1.02 -0.64 -1.26 119.74 118.99 1j3k s LYS 19 Ca 0.34 0.56 -0.11 0.00 0.02 0.00 0.00 55.97 56.78 1j3k s LYS 19 Cb -0.03 -2.80 -0.05 0.00 -0.52 0.00 0.00 37.83 34.44 1j3k s LYS 19 CO 0.22 0.38 0.23 0.14 -0.92 0.00 0.00 175.35 175.41 1j3k s VAL 20 N -1.62 5.34 -1.01 3.17 -7.23 -1.26 -2.66 120.40 115.14 1j3k s VAL 20 Ca 0.43 0.42 -0.23 0.00 -1.81 0.00 0.00 61.98 60.79 1j3k s VAL 20 Cb -0.14 -3.54 -0.03 0.00 0.56 0.00 0.00 36.38 33.24 1j3k s VAL 20 CO 0.20 0.52 1.83 -0.70 -0.31 0.00 0.00 175.10 176.64 1j3k s GLU 21 N -0.41 2.85 0.10 4.82 2.12 -1.13 -4.90 118.70 122.16 1j3k s GLU 21 Ca 0.16 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.74 1j3k s GLU 21 Cb -0.13 -5.19 -0.04 0.00 0.26 0.00 0.00 34.13 29.03 1j3k s GLU 21 CO 0.05 -3.18 0.26 -1.54 -0.54 0.00 0.00 175.26 170.31 1j3k s SER 22 N 6.85 6.37 0.00 -1.70 1.04 -1.26 -4.93 113.70 120.07 1j3k s SER 22 Ca 0.64 0.28 0.00 0.00 0.48 0.00 0.00 55.95 57.35 1j3k s SER 22 Cb -0.03 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 64.12 1j3k s SER 22 CO 0.01 0.11 0.00 0.29 0.98 0.00 0.00 173.24 174.63 1j3k n LYS 23 N -0.02 3.21 -2.58 4.02 5.02 -1.26 -5.00 118.16 121.54 1j3k n LYS 23 Ca -0.05 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.23 1j3k n LYS 23 Cb 0.52 -0.61 0.05 0.00 -0.02 0.00 0.00 35.03 34.96 1j3k n LYS 23 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1j3k n ASN 24 N -0.87 1.67 -0.13 4.39 3.02 -1.26 -4.99 115.26 117.09 1j3k n ASN 24 Ca 0.00 -2.13 -0.18 0.00 -0.03 0.00 0.00 54.58 52.24 1j3k n ASN 24 Cb 0.00 -0.45 -0.12 0.00 -0.61 0.00 0.00 39.78 38.60 1j3k n ASN 24 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1j3k n GLU 25 N -0.46 0.64 0.00 3.52 1.02 -1.26 -4.95 120.64 119.15 1j3k n GLU 25 Ca 0.09 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1j3k n GLU 25 Cb 0.86 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 1j3k n GLU 25 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j3k n GLY 26 N 2.28 -0.68 0.00 0.62 0.00 -1.26 -5.08 105.19 101.08 1j3k n GLY 26 Ca -0.45 0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.92 1j3k n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j3k n LYS 27 N 0.00 0.28 0.09 1.61 4.01 -1.26 -3.33 118.16 119.56 1j3k n LYS 27 Ca 0.00 0.09 0.12 0.00 -0.51 0.00 0.00 58.31 58.01 1j3k n LYS 27 Cb 0.00 -1.50 0.21 0.00 -0.51 0.00 0.00 35.03 33.23 1j3k n LYS 27 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1j3k h LYS 28 N 0.00 0.00 -1.09 1.97 1.63 -2.04 -3.32 116.57 113.72 1j3k h LYS 28 Ca 0.00 0.00 -0.45 0.00 -0.85 0.00 0.00 60.65 59.35 1j3k h LYS 28 Cb 0.06 0.00 -0.41 0.00 -0.60 0.00 0.00 32.23 31.28 1j3k h LYS 28 CO 0.00 0.00 -0.97 0.09 -3.45 0.00 0.00 179.45 175.12 1j3k n ASN 29 N -2.29 3.09 -4.84 4.20 3.02 -1.21 -5.09 115.26 112.14 1j3k n ASN 29 Ca 0.04 -3.12 -0.32 0.00 -0.03 0.00 0.00 54.58 51.15 1j3k n ASN 29 Cb 0.46 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 1j3k n ASN 29 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1j3k s GLU 30 N -3.42 3.53 -0.09 3.52 -1.05 -1.25 -5.04 118.70 114.90 1j3k s GLU 30 Ca 0.38 0.92 -0.07 0.00 -0.15 0.00 0.00 54.97 56.05 1j3k s GLU 30 Cb 0.41 -2.07 -0.04 0.00 -0.44 0.00 0.00 34.13 31.99 1j3k s GLU 30 CO -0.06 -0.62 0.16 0.08 0.95 0.00 0.00 175.26 175.78 1j3k s VAL 31 N -2.88 5.47 0.20 1.83 1.01 -1.26 -5.11 120.40 119.66 1j3k s VAL 31 Ca 0.58 0.19 0.11 0.00 0.00 0.00 0.00 61.98 62.86 1j3k s VAL 31 Cb -0.12 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1j3k s VAL 31 CO 0.45 0.57 -0.24 -0.36 0.00 0.00 0.00 175.10 175.52 1j3k s PHE 32 N -1.08 2.28 0.28 5.22 0.08 -1.26 -5.02 117.98 118.49 1j3k s PHE 32 Ca 0.18 -0.36 -0.20 0.00 0.12 0.00 0.00 56.93 56.67 1j3k s PHE 32 Cb -0.12 -1.12 0.06 0.00 -0.57 0.00 0.00 43.02 41.26 1j3k s PHE 32 CO 0.07 0.51 0.88 0.54 -0.10 0.00 0.00 175.22 177.12 1j3k s ASN 33 N -2.71 -0.05 0.45 1.36 2.20 -1.26 -5.02 114.94 109.92 1j3k s ASN 33 Ca 0.21 -0.84 0.18 0.00 -0.94 0.00 0.00 52.86 51.47 1j3k s ASN 33 Cb -0.08 0.68 1.14 0.00 -2.00 0.00 0.00 41.25 40.99 1j3k s ASN 33 CO 0.10 -1.33 1.94 0.78 -2.94 0.00 0.00 177.10 175.64 1j3k h ASN 34 N 2.00 0.29 0.26 3.54 2.35 -2.00 0.45 115.58 122.48 1j3k h ASN 34 Ca -0.28 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1j3k h ASN 34 Cb 1.24 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.56 1j3k h ASN 34 CO 0.35 0.15 0.00 0.00 -1.65 0.00 0.00 177.43 176.28 1j3k n TYR 35 N -4.45 0.34 -0.10 1.19 9.36 -1.26 -2.34 117.16 119.90 1j3k n TYR 35 Ca 0.13 0.16 0.06 0.00 3.32 0.00 0.00 57.90 61.57 1j3k n TYR 35 Cb 0.55 -0.75 0.40 0.00 -0.63 0.00 0.00 39.34 38.91 1j3k n TYR 35 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 1j3k h THR 36 N 0.00 1.04 -3.20 2.97 2.02 -1.29 -3.33 112.91 111.12 1j3k h THR 36 Ca 0.00 -0.22 -0.72 0.00 0.77 0.00 0.00 66.41 66.25 1j3k h THR 36 Cb 0.13 0.35 -0.21 0.00 -1.74 0.00 0.00 68.15 66.68 1j3k h THR 36 CO 0.00 0.12 -0.11 -0.36 0.37 0.00 0.00 175.52 175.54 1j3k s PHE 37 N -5.57 3.13 0.00 3.16 0.08 -0.99 -4.14 117.98 113.65 1j3k s PHE 37 Ca -0.09 -0.83 0.00 0.00 0.12 0.00 0.00 56.93 56.13 1j3k s PHE 37 Cb 0.19 -3.51 0.00 0.00 -0.57 0.00 0.00 43.02 39.13 1j3k s PHE 37 CO 0.75 -0.99 0.00 2.89 -0.10 0.00 0.00 175.22 177.78 1j3k n ARG 38 N 5.74 0.00 -2.36 0.44 1.85 -0.51 -4.86 116.66 116.98 1j3k n ARG 38 Ca -0.10 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.33 1j3k n ARG 38 Cb 0.44 -0.18 -0.02 0.00 -1.05 0.00 0.00 32.46 31.64 1j3k n ARG 38 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1j3k s GLY 39 N 0.00 1.81 -0.14 2.89 0.00 -0.39 -1.38 107.32 110.10 1j3k s GLY 39 Ca 0.00 0.63 -0.00 0.00 0.00 0.00 0.00 44.72 45.35 1j3k s GLY 39 CO 0.00 2.47 -0.14 1.04 0.00 0.00 0.00 173.10 176.47 1j3k n LEU 40 N 6.02 2.69 -3.91 0.66 4.77 -0.57 -1.51 117.00 125.14 1j3k n LEU 40 Ca 0.13 -0.04 -0.09 0.00 -0.03 0.00 0.00 56.01 55.98 1j3k n LEU 40 Cb 0.45 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 1j3k n LEU 40 CO 0.57 0.67 0.38 -0.83 -1.33 0.00 0.00 177.39 176.85 1j3k s GLY 41 N -5.35 0.48 -0.23 -0.72 0.00 -1.14 -4.38 107.32 95.98 1j3k s GLY 41 Ca -0.19 -0.80 -0.10 0.00 0.00 0.00 0.00 44.72 43.63 1j3k s GLY 41 CO 0.32 -0.44 0.51 0.21 0.00 0.00 0.00 173.10 173.70 1j3k s ASN 42 N -3.05 -0.64 -1.53 1.64 2.47 0.68 -0.70 114.94 113.81 1j3k s ASN 42 Ca 0.18 1.18 -0.13 0.00 0.42 0.00 0.00 52.86 54.51 1j3k s ASN 42 Cb -0.04 1.36 0.08 0.00 -1.45 0.00 0.00 41.25 41.21 1j3k s ASN 42 CO 0.11 -0.22 0.93 0.29 -3.72 0.00 0.00 177.10 174.49 1j3k n LYS 43 N 4.85 -5.17 0.00 0.43 5.02 -1.26 -1.60 118.16 120.43 1j3k n LYS 43 Ca -0.16 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1j3k n LYS 43 Cb 0.53 -5.40 0.00 0.00 -0.02 0.00 0.00 35.03 30.14 1j3k n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j3k n GLY 44 N -1.66 2.85 2.00 0.72 0.00 -1.26 -5.00 105.19 102.84 1j3k n GLY 44 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1j3k n GLY 44 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1j3k n VAL 45 N -2.00 0.00 -2.34 1.61 0.24 -0.63 -4.62 118.33 110.60 1j3k n VAL 45 Ca 0.00 -1.37 -0.36 0.00 -2.04 0.00 0.00 64.34 60.56 1j3k n VAL 45 Cb 0.00 0.40 -0.01 0.00 -1.47 0.00 0.00 33.84 32.76 1j3k n VAL 45 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1j3k s LEU 46 N 0.00 3.96 0.43 1.34 1.43 -1.26 -0.23 118.68 124.35 1j3k s LEU 46 Ca 0.07 2.19 0.12 0.00 -1.03 0.00 0.00 54.13 55.48 1j3k s LEU 46 Cb 0.00 -4.34 0.94 0.00 0.03 0.00 0.00 46.19 42.82 1j3k s LEU 46 CO 0.05 -0.89 2.00 -0.65 0.23 0.00 0.00 176.35 177.09 1j3k h PRO 47 N 1.89 0.18 -6.02 1.29 0.11 -1.84 -3.42 132.00 124.19 1j3k h PRO 47 Ca -0.49 -0.03 -0.59 0.00 0.11 0.00 0.00 66.00 65.00 1j3k h PRO 47 Cb 1.24 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1j3k h PRO 47 CO 0.60 0.26 -0.51 1.67 -0.21 0.00 0.00 178.00 179.81 1j3k s TRP 48 N -4.89 3.43 0.04 0.65 -2.14 -1.26 -4.76 118.94 110.02 1j3k s TRP 48 Ca -0.05 0.16 -0.19 0.00 2.66 0.00 0.00 56.10 58.67 1j3k s TRP 48 Cb 0.16 -1.68 -0.09 0.00 -3.10 0.00 0.00 33.47 28.75 1j3k s TRP 48 CO 0.71 0.55 1.29 -0.22 -2.66 0.00 0.00 176.95 176.62 1j3k h LYS 49 N 2.72 -0.54 -1.46 3.25 3.64 -2.00 -3.46 116.57 118.73 1j3k h LYS 49 Ca -0.47 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.07 1j3k h LYS 49 Cb 1.18 0.12 -0.26 0.00 -0.41 0.00 0.00 32.23 32.85 1j3k h LYS 49 CO 0.71 -0.36 0.34 0.00 -2.27 0.00 0.00 179.45 177.87 1j3k s ILE 51 N 1.56 1.34 0.38 0.00 1.01 -1.26 -4.77 121.20 119.46 1j3k s ILE 51 Ca -0.08 -2.49 0.10 0.00 0.00 0.00 0.00 60.65 58.18 1j3k s ILE 51 Cb -0.04 -1.94 0.32 0.00 0.01 0.00 0.00 42.46 40.81 1j3k s ILE 51 CO -0.15 -0.90 1.92 0.77 0.00 0.00 0.00 174.94 176.58 1j3k h SER 52 N 6.77 0.57 -0.40 3.58 4.64 -1.98 -2.28 113.55 124.44 1j3k h SER 52 Ca -0.01 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.27 1j3k h SER 52 Cb 0.93 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.90 1j3k h SER 52 CO 0.47 0.32 0.05 0.25 -0.87 0.00 0.00 176.83 177.05 1j3k h LEU 53 N 0.62 0.71 -0.68 5.97 5.85 -1.94 -0.03 115.31 125.81 1j3k h LEU 53 Ca 0.37 -0.15 -0.13 0.00 0.84 0.00 0.00 57.88 58.81 1j3k h LEU 53 Cb 0.58 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1j3k h LEU 53 CO -0.14 0.75 -0.35 -0.78 -0.34 0.00 0.00 178.44 177.58 1j3k h ASP 54 N 0.72 0.66 -0.65 1.25 3.58 -1.85 -1.61 116.42 118.51 1j3k h ASP 54 Ca 0.15 -0.27 -0.03 0.00 0.42 0.00 0.00 57.03 57.29 1j3k h ASP 54 Cb 0.37 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 1j3k h ASP 54 CO 0.01 0.95 0.28 0.24 -2.88 0.00 0.00 179.24 177.84 1j3k h MET 55 N 0.53 0.96 -0.36 0.28 2.86 -1.20 0.07 114.93 118.07 1j3k h MET 55 Ca 0.05 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1j3k h MET 55 Cb 0.85 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 1j3k h MET 55 CO 0.07 0.79 0.14 -0.22 1.06 0.00 0.00 176.91 178.75 1j3k h LYS 56 N 0.91 0.54 -0.31 1.72 3.64 -0.80 -0.99 116.57 121.28 1j3k h LYS 56 Ca 0.22 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1j3k h LYS 56 Cb 0.17 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1j3k h LYS 56 CO -0.02 0.53 0.13 -0.92 -2.27 0.00 0.00 179.45 176.90 1j3k h TYR 57 N 0.43 0.46 -0.37 1.91 3.20 -1.01 -0.55 116.97 121.03 1j3k h TYR 57 Ca 0.12 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.02 1j3k h TYR 57 Cb 0.19 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 1j3k h TYR 57 CO -0.00 0.43 0.05 0.35 -1.64 0.00 0.00 178.16 177.35 1j3k h PHE 58 N 0.35 0.08 -0.39 -3.82 3.57 -0.83 0.34 116.94 116.24 1j3k h PHE 58 Ca 0.10 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 1j3k h PHE 58 Cb 0.15 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1j3k h PHE 58 CO -0.01 -0.01 0.10 -0.09 -2.23 0.00 0.00 178.31 176.07 1j3k h ARG 59 N 0.17 0.61 -0.36 1.11 2.43 -1.02 -1.07 114.38 116.25 1j3k h ARG 59 Ca 0.18 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1j3k h ARG 59 Cb 0.22 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1j3k h ARG 59 CO -0.25 0.63 0.23 0.00 -1.51 0.00 0.00 179.97 179.07 1j3k h ALA 60 N 0.95 0.46 -0.02 2.80 0.00 -0.56 -1.82 119.26 121.07 1j3k h ALA 60 Ca 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1j3k h ALA 60 Cb 0.29 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1j3k h ALA 60 CO -0.00 -0.10 -0.00 0.28 0.00 0.00 0.00 179.25 179.43 1j3k h VAL 61 N 0.48 1.28 0.00 0.00 2.07 -0.84 -2.17 116.25 117.06 1j3k h VAL 61 Ca 0.13 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1j3k h VAL 61 Cb -0.04 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1j3k h VAL 61 CO -0.04 0.22 0.00 0.35 0.02 0.00 0.00 177.57 178.12 1j3k n THR 62 N -4.89 0.81 0.13 2.57 -2.24 -0.41 -3.29 114.28 106.95 1j3k n THR 62 Ca -0.08 0.18 0.08 0.00 -2.27 0.00 0.00 64.05 61.97 1j3k n THR 62 Cb 0.19 -1.10 -0.12 0.00 -2.10 0.00 0.00 70.33 67.20 1j3k n THR 62 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1j3k n THR 63 N -2.22 0.00 -1.92 4.28 -2.24 -0.69 -4.61 114.28 106.88 1j3k n THR 63 Ca 0.02 -0.33 -0.42 0.00 -2.27 0.00 0.00 64.05 61.05 1j3k n THR 63 Cb 0.25 0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 1j3k n THR 63 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1j3k s TYR 64 N -3.04 2.99 0.04 4.78 5.04 -0.82 -4.74 117.35 121.59 1j3k s TYR 64 Ca -0.04 0.76 -0.01 0.00 -2.44 0.00 0.00 57.07 55.34 1j3k s TYR 64 Cb 0.11 -3.93 -0.03 0.00 0.35 0.00 0.00 41.96 38.46 1j3k s TYR 64 CO 0.69 -3.28 -0.02 0.14 -1.34 0.00 0.00 175.55 171.74 1j3k s VAL 65 N 0.60 0.17 -0.35 3.14 -7.23 -1.26 -4.87 120.40 110.60 1j3k s VAL 65 Ca 0.66 -1.36 0.02 0.00 -1.81 0.00 0.00 61.98 59.49 1j3k s VAL 65 Cb -0.44 -0.92 0.11 0.00 0.56 0.00 0.00 36.38 35.69 1j3k s VAL 65 CO 0.38 -0.75 0.10 0.21 -0.31 0.00 0.00 175.10 174.73 1j3k s ASN 66 N -2.22 4.29 0.28 4.85 3.84 -1.26 -5.01 114.94 119.71 1j3k s ASN 66 Ca -0.04 -2.02 0.01 0.00 0.21 0.00 0.00 52.86 51.01 1j3k s ASN 66 Cb -0.01 -1.22 0.55 0.00 -0.55 0.00 0.00 41.25 40.02 1j3k s ASN 66 CO -0.06 -0.38 1.82 -0.33 -2.79 0.00 0.00 177.10 175.37 1j3k h GLU 67 N 7.67 0.89 0.00 0.43 5.08 -2.00 -1.67 114.58 124.98 1j3k h GLU 67 Ca -0.08 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1j3k h GLU 67 Cb 1.00 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1j3k h GLU 67 CO 0.50 0.59 -0.07 0.66 -1.00 0.00 0.00 179.01 179.69 1j3k h SER 68 N 0.91 0.00 0.97 1.42 4.64 -2.05 -1.50 113.55 117.94 1j3k h SER 68 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1j3k h SER 68 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1j3k h SER 68 CO -0.28 0.07 -0.31 0.29 -0.87 0.00 0.00 176.83 175.73 1j3k n LYS 69 N -4.05 0.16 -0.13 4.77 5.02 -0.64 -4.13 118.16 119.16 1j3k n LYS 69 Ca -0.03 0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 56.23 1j3k n LYS 69 Cb 0.16 -1.64 -0.02 0.00 -0.02 0.00 0.00 35.03 33.51 1j3k n LYS 69 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1j3k h TYR 70 N 0.00 0.85 -0.39 2.13 3.20 -1.12 -3.09 116.97 118.54 1j3k h TYR 70 Ca 0.00 -0.20 0.11 0.00 3.14 0.00 0.00 58.73 61.79 1j3k h TYR 70 Cb 0.64 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1j3k h TYR 70 CO 0.00 0.91 0.57 0.93 -1.64 0.00 0.00 178.16 178.93 1j3k h GLU 71 N 0.54 0.00 0.17 1.82 5.08 -1.72 -0.07 114.58 120.40 1j3k h GLU 71 Ca 0.09 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.10 1j3k h GLU 71 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1j3k h GLU 71 CO 0.04 0.00 -1.80 -0.22 -1.00 0.00 0.00 179.01 176.03 1j3k h LYS 72 N 0.00 0.36 -0.36 2.33 3.64 -1.81 -3.23 116.57 117.50 1j3k h LYS 72 Ca 0.19 -0.62 -0.02 0.00 -1.27 0.00 0.00 60.65 58.92 1j3k h LYS 72 Cb 1.33 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 33.36 1j3k h LYS 72 CO -0.00 1.30 0.12 -0.07 -2.27 0.00 0.00 179.45 178.53 1j3k h LEU 73 N 0.08 0.47 -0.10 5.20 3.38 -1.03 -2.39 115.31 120.92 1j3k h LEU 73 Ca -0.36 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1j3k h LEU 73 Cb 2.08 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.70 1j3k h LEU 73 CO 0.15 0.45 0.04 0.50 0.09 0.00 0.00 178.44 179.68 1j3k h LYS 74 N 0.52 0.15 -0.33 1.13 3.64 -1.37 -1.73 116.57 118.58 1j3k h LYS 74 Ca 0.13 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.53 1j3k h LYS 74 Cb 0.15 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 1j3k h LYS 74 CO -0.01 0.25 0.03 -0.92 -2.27 0.00 0.00 179.45 176.54 1j3k h TYR 75 N 0.01 0.05 -0.80 1.91 3.20 -1.46 -0.23 116.97 119.64 1j3k h TYR 75 Ca 0.03 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.96 1j3k h TYR 75 Cb 0.16 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 1j3k h TYR 75 CO -0.02 -0.02 0.50 -0.22 -1.64 0.00 0.00 178.16 176.77 1j3k h LYS 76 N 0.14 0.94 -0.23 1.82 3.64 -1.29 -0.54 116.57 121.06 1j3k h LYS 76 Ca 0.16 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.35 1j3k h LYS 76 Cb 0.20 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1j3k h LYS 76 CO -0.24 0.62 -0.38 0.00 -2.27 0.00 0.00 179.45 177.18 1j3k h ARG 77 N 0.97 0.66 0.71 1.90 3.08 -0.83 -2.31 114.38 118.55 1j3k h ARG 77 Ca 0.33 -0.41 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 1j3k h ARG 77 Cb 0.05 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.15 1j3k h ARG 77 CO -0.13 1.02 -0.34 0.00 -1.07 0.00 0.00 179.97 179.45 1j3k h LYS 79 N -1.00 -0.07 -0.50 0.00 3.64 -1.17 0.52 116.57 117.99 1j3k h LYS 79 Ca -0.10 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.37 1j3k h LYS 79 Cb 0.75 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 1j3k h LYS 79 CO 0.16 -0.05 0.34 -0.92 -2.27 0.00 0.00 179.45 176.72 1j3k h TYR 80 N -0.07 0.34 -0.04 1.91 3.20 -1.25 -0.02 116.97 121.04 1j3k h TYR 80 Ca 0.26 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.14 1j3k h TYR 80 Cb 0.48 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1j3k h TYR 80 CO -0.53 0.17 0.00 1.28 -1.64 0.00 0.00 178.16 177.45 1j3k n LEU 81 N -4.47 2.18 -1.70 2.82 4.77 0.10 -4.92 117.00 115.78 1j3k n LEU 81 Ca 0.08 -0.74 -0.19 0.00 -0.03 0.00 0.00 56.01 55.12 1j3k n LEU 81 Cb 0.33 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.34 1j3k n LEU 81 CO 0.34 0.37 -0.19 0.59 -1.33 0.00 0.00 177.39 177.17 1j3k n ASN 82 N 0.70 -5.10 -4.94 -1.43 3.02 0.14 -4.95 115.26 102.70 1j3k n ASN 82 Ca 0.17 0.40 -0.24 0.00 -0.03 0.00 0.00 54.58 54.87 1j3k n ASN 82 Cb 0.46 -4.50 -0.01 0.00 -0.61 0.00 0.00 39.78 35.12 1j3k n ASN 82 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1j3k s LYS 83 N -3.86 3.46 0.42 3.52 -0.14 -0.88 -5.00 119.74 117.27 1j3k s LYS 83 Ca 0.00 -0.28 -0.04 0.00 -1.36 0.00 0.00 55.97 54.30 1j3k s LYS 83 Cb 0.00 -2.61 0.09 0.00 -1.68 0.00 0.00 37.83 33.63 1j3k s LYS 83 CO 0.00 0.06 0.57 0.39 -0.76 0.00 0.00 175.35 175.62 1j3k n GLU 84 N -1.88 -0.16 -3.28 1.68 1.02 -1.26 -4.10 120.64 112.67 1j3k n GLU 84 Ca -0.04 -1.20 -0.39 0.00 -0.02 0.00 0.00 57.16 55.51 1j3k n GLU 84 Cb 0.56 -0.49 -0.08 0.00 -0.02 0.00 0.00 31.44 31.41 1j3k n GLU 84 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1j3k s THR 85 N -1.89 5.11 0.00 2.62 2.01 -1.26 -4.87 115.64 117.36 1j3k s THR 85 Ca 0.35 0.83 0.00 0.00 0.31 0.00 0.00 61.69 63.18 1j3k s THR 85 Cb -0.01 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.69 1j3k s THR 85 CO 0.24 0.14 0.00 2.29 -0.69 0.00 0.00 174.62 176.59 1j3k n LYS 96 N 5.22 0.00 -2.15 4.92 2.85 -1.26 -5.22 118.16 122.52 1j3k n LYS 96 Ca -0.05 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.79 1j3k n LYS 96 Cb 0.50 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.85 1j3k n LYS 96 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1j3k s LYS 97 N 0.00 4.31 0.28 -1.58 2.20 -1.26 -4.95 119.74 118.75 1j3k s LYS 97 Ca 0.00 2.10 -0.30 0.00 -0.36 0.00 0.00 55.97 57.42 1j3k s LYS 97 Cb 0.00 -3.23 -0.13 0.00 -1.51 0.00 0.00 37.83 32.96 1j3k s LYS 97 CO 0.00 -0.44 1.33 -0.11 -0.36 0.00 0.00 175.35 175.77 1j3k n LEU 98 N 3.85 3.16 -4.08 5.43 7.94 -1.26 -5.01 117.00 127.04 1j3k n LEU 98 Ca 0.11 1.17 -0.09 0.00 -1.11 0.00 0.00 56.01 56.09 1j3k n LEU 98 Cb 0.42 -1.44 -0.09 0.00 0.53 0.00 0.00 43.42 42.84 1j3k n LEU 98 CO 0.59 -0.56 -0.25 -1.10 -1.11 0.00 0.00 177.39 174.96 1j3k s GLN 99 N -1.04 0.87 0.48 1.96 -0.21 -1.26 -4.94 119.66 115.53 1j3k s GLN 99 Ca 0.63 -1.29 -0.03 0.00 0.02 0.00 0.00 55.36 54.68 1j3k s GLN 99 Cb -0.62 0.26 -0.02 0.00 1.00 0.00 0.00 33.01 33.63 1j3k s GLN 99 CO 0.55 -0.25 0.76 -0.80 -2.12 0.00 0.00 175.29 173.43 1j3k s ASN 100 N -2.98 5.98 -0.09 5.90 0.01 -1.26 -1.53 114.94 120.96 1j3k s ASN 100 Ca 0.17 0.64 -0.02 0.00 -0.71 0.00 0.00 52.86 52.95 1j3k s ASN 100 Cb 0.07 -1.89 -0.03 0.00 0.41 0.00 0.00 41.25 39.80 1j3k s ASN 100 CO -0.03 -0.70 -0.02 -0.69 -1.51 0.00 0.00 177.10 174.15 1j3k s VAL 101 N -2.70 4.11 -0.07 1.60 1.01 0.43 -1.14 120.40 123.65 1j3k s VAL 101 Ca 0.48 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.18 1j3k s VAL 101 Cb -0.10 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1j3k s VAL 101 CO 0.42 0.58 -0.17 0.68 0.00 0.00 0.00 175.10 176.62 1j3k s VAL 102 N -0.65 1.47 -0.13 2.92 -7.23 -0.16 -0.44 120.40 116.17 1j3k s VAL 102 Ca 0.10 -0.69 -0.01 0.00 -1.81 0.00 0.00 61.98 59.57 1j3k s VAL 102 Cb -0.12 -1.29 -0.02 0.00 0.56 0.00 0.00 36.38 35.51 1j3k s VAL 102 CO 0.02 0.43 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.45 1j3k s VAL 103 N 0.39 3.40 0.01 1.32 1.01 0.45 -1.00 120.40 125.99 1j3k s VAL 103 Ca -0.13 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 1j3k s VAL 103 Cb -0.15 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 1j3k s VAL 103 CO 0.05 0.52 0.00 0.00 0.00 0.00 0.00 175.10 175.67 1j3k s MET 104 N 0.24 0.30 0.76 2.72 0.23 -0.49 0.17 119.30 123.22 1j3k s MET 104 Ca -0.06 -0.48 -0.11 0.00 -1.03 0.00 0.00 55.69 54.00 1j3k s MET 104 Cb -0.15 0.11 0.05 0.00 -1.53 0.00 0.00 34.83 33.31 1j3k s MET 104 CO 0.04 -0.05 1.08 0.20 -2.03 0.00 0.00 175.02 174.26 1j3k s GLY 105 N -1.23 1.66 0.22 3.16 0.00 -0.90 -1.21 107.32 109.02 1j3k s GLY 105 Ca -0.13 0.12 -0.09 0.00 0.00 0.00 0.00 44.72 44.62 1j3k s GLY 105 CO -0.00 0.47 1.88 -0.09 0.00 0.00 0.00 173.10 175.35 1j3k h ARG 106 N -1.02 1.00 -0.71 2.90 2.43 -1.73 -0.47 114.38 116.77 1j3k h ARG 106 Ca -0.45 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 58.61 1j3k h ARG 106 Cb 1.23 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 1j3k h ARG 106 CO 0.54 0.66 0.25 1.15 -1.51 0.00 0.00 179.97 181.06 1j3k h THR 107 N 1.03 1.26 0.17 0.20 2.02 -1.92 -1.65 112.91 114.01 1j3k h THR 107 Ca 0.31 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 1j3k h THR 107 Cb -0.04 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1j3k h THR 107 CO -0.10 0.34 -0.08 -1.13 0.37 0.00 0.00 175.52 174.92 1j3k h ASN 108 N 1.04 -0.19 -0.79 4.18 -1.24 -1.76 -2.02 115.58 114.80 1j3k h ASN 108 Ca 0.23 -0.02 0.15 0.00 0.71 0.00 0.00 56.30 57.37 1j3k h ASN 108 Cb 0.27 0.05 -0.10 0.00 0.73 0.00 0.00 38.32 39.27 1j3k h ASN 108 CO -0.01 -0.10 0.34 -0.25 -1.29 0.00 0.00 177.43 176.12 1j3k h TRP 109 N -0.26 0.58 0.00 0.67 2.91 -0.90 0.58 115.95 119.54 1j3k h TRP 109 Ca -0.02 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.03 1j3k h TRP 109 Cb 0.20 -0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 28.71 1j3k h TRP 109 CO -0.06 0.09 -0.03 0.93 -1.03 0.00 0.00 178.44 178.34 1j3k h GLU 110 N 0.49 0.00 0.00 2.65 5.08 -0.86 -2.73 114.58 119.21 1j3k h GLU 110 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1j3k h GLU 110 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1j3k h GLU 110 CO -0.40 0.03 -0.16 0.66 -1.00 0.00 0.00 179.01 178.14 1j3k h SER 111 N 0.00 0.00 -3.37 1.42 4.64 -0.16 -3.45 113.55 112.63 1j3k h SER 111 Ca -0.00 -0.03 -0.53 0.00 -0.47 0.00 0.00 61.79 60.75 1j3k h SER 111 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1j3k h SER 111 CO 0.00 0.02 0.46 -0.63 -0.87 0.00 0.00 176.83 175.81 1j3k s ILE 112 N -3.16 4.36 0.38 0.95 1.01 -1.03 -5.00 121.20 118.72 1j3k s ILE 112 Ca 0.08 1.77 -0.28 0.00 0.00 0.00 0.00 60.65 62.22 1j3k s ILE 112 Cb 0.10 -4.13 -0.10 0.00 0.01 0.00 0.00 42.46 38.34 1j3k s ILE 112 CO 0.65 0.18 1.44 -2.84 0.00 0.00 0.00 174.94 174.36 1j3k s PRO 113 N 0.70 4.07 0.32 2.79 0.02 -1.26 -4.88 135.00 136.76 1j3k s PRO 113 Ca 0.54 2.47 0.10 0.00 0.02 0.00 0.00 61.00 64.12 1j3k s PRO 113 Cb -0.26 -2.92 0.93 0.00 0.02 0.00 0.00 34.50 32.27 1j3k s PRO 113 CO 0.30 -0.53 1.67 0.87 -0.33 0.00 0.00 177.00 178.98 1j3k h LYS 114 N 2.93 0.34 0.00 5.54 1.79 -1.94 0.26 116.57 125.49 1j3k h LYS 114 Ca -0.50 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 1j3k h LYS 114 Cb 1.24 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1j3k h LYS 114 CO 0.64 0.23 0.00 0.36 -1.08 0.00 0.00 179.45 179.59 1j3k n LYS 115 N -5.06 0.16 0.00 3.15 2.85 -1.26 -2.31 118.16 115.69 1j3k n LYS 115 Ca 0.27 0.54 0.09 0.00 -1.05 0.00 0.00 58.31 58.16 1j3k n LYS 115 Cb 0.84 -1.91 -0.03 0.00 -0.65 0.00 0.00 35.03 33.27 1j3k n LYS 115 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1j3k n PHE 116 N -2.23 0.00 -4.07 5.58 3.72 0.91 -4.98 117.46 116.38 1j3k n PHE 116 Ca 0.00 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.04 1j3k n PHE 116 Cb 0.12 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.58 1j3k n PHE 116 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1j3k s LYS 117 N -2.22 3.35 0.65 -1.08 1.02 -0.98 -2.95 119.74 117.52 1j3k s LYS 117 Ca 0.12 -0.26 -0.11 0.00 0.02 0.00 0.00 55.97 55.74 1j3k s LYS 117 Cb 0.14 -3.05 -0.02 0.00 -0.52 0.00 0.00 37.83 34.38 1j3k s LYS 117 CO 0.53 0.68 1.04 -1.25 -0.92 0.00 0.00 175.35 175.43 1j3k s PRO 118 N -0.79 3.29 -0.02 -1.68 0.04 -1.26 -4.99 135.00 129.60 1j3k s PRO 118 Ca 0.13 0.88 -0.35 0.00 0.04 0.00 0.00 61.00 61.70 1j3k s PRO 118 Cb -0.12 -2.04 -0.13 0.00 0.04 0.00 0.00 34.50 32.25 1j3k s PRO 118 CO 0.03 -0.82 1.73 1.28 0.04 0.00 0.00 177.00 179.26 1j3k n LEU 119 N -2.84 3.09 -4.74 -3.56 4.77 -1.15 -4.88 117.00 107.69 1j3k n LEU 119 Ca 0.07 1.03 -0.41 0.00 -0.03 0.00 0.00 56.01 56.66 1j3k n LEU 119 Cb 0.54 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 1j3k n LEU 119 CO 0.56 -0.24 1.03 -1.54 -1.33 0.00 0.00 177.39 175.87 1j3k n SER 120 N 5.20 3.30 -1.42 -1.43 3.41 -1.26 -2.97 113.62 118.45 1j3k n SER 120 Ca 0.21 1.20 -0.19 0.00 -0.26 0.00 0.00 58.87 59.83 1j3k n SER 120 Cb 0.27 -1.56 -0.08 0.00 -0.26 0.00 0.00 64.21 62.57 1j3k n SER 120 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1j3k n ASN 121 N 0.45 -5.55 -4.13 4.04 4.13 -1.26 -4.96 115.26 107.99 1j3k n ASN 121 Ca 0.03 0.46 -0.15 0.00 1.68 0.00 0.00 54.58 56.60 1j3k n ASN 121 Cb 0.38 -4.69 -0.11 0.00 -1.54 0.00 0.00 39.78 33.82 1j3k n ASN 121 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1j3k s ARG 122 N -3.57 0.70 -0.34 3.52 0.52 -1.16 -4.45 118.95 114.17 1j3k s ARG 122 Ca 0.00 -0.91 -0.25 0.00 -0.52 0.00 0.00 55.73 54.05 1j3k s ARG 122 Cb 0.00 -0.54 0.01 0.00 0.52 0.00 0.00 34.95 34.94 1j3k s ARG 122 CO 0.00 0.11 0.86 0.42 0.02 0.00 0.00 175.30 176.71 1j3k s ILE 123 N -1.56 4.68 0.03 1.52 1.01 -0.29 -4.80 121.20 121.79 1j3k s ILE 123 Ca -0.04 1.16 -0.21 0.00 0.00 0.00 0.00 60.65 61.56 1j3k s ILE 123 Cb -0.09 -4.25 -0.06 0.00 0.01 0.00 0.00 42.46 38.07 1j3k s ILE 123 CO 0.01 -0.42 0.63 0.20 0.00 0.00 0.00 174.94 175.36 1j3k s ASN 124 N 1.77 7.06 -0.04 3.58 0.02 -1.26 -0.99 114.94 125.08 1j3k s ASN 124 Ca 0.35 1.26 0.02 0.00 -1.02 0.00 0.00 52.86 53.47 1j3k s ASN 124 Cb -0.13 -2.39 0.01 0.00 0.02 0.00 0.00 41.25 38.76 1j3k s ASN 124 CO 0.16 0.12 -0.06 -0.69 0.02 0.00 0.00 177.10 176.65 1j3k s VAL 125 N -0.38 0.64 -0.06 1.60 1.01 -0.17 -1.48 120.40 121.56 1j3k s VAL 125 Ca 0.32 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.13 1j3k s VAL 125 Cb -0.19 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 1j3k s VAL 125 CO 0.19 0.23 -0.23 -0.63 0.00 0.00 0.00 175.10 174.66 1j3k s ILE 126 N 0.56 1.91 -0.15 2.22 1.01 -0.01 -1.40 121.20 125.34 1j3k s ILE 126 Ca -0.08 -0.98 -0.14 0.00 0.00 0.00 0.00 60.65 59.46 1j3k s ILE 126 Cb -0.12 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.68 1j3k s ILE 126 CO 0.01 0.53 0.29 -0.76 0.00 0.00 0.00 174.94 175.01 1j3k s LEU 127 N -0.01 4.26 -0.11 2.97 1.43 -0.35 -1.32 118.68 125.55 1j3k s LEU 127 Ca -0.07 0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 53.25 1j3k s LEU 127 Cb -0.14 -2.37 0.12 0.00 0.03 0.00 0.00 46.19 43.82 1j3k s LEU 127 CO 0.04 0.12 0.95 -0.55 0.23 0.00 0.00 176.35 177.14 1j3k s SER 128 N 0.37 -0.39 -0.02 2.29 0.15 -0.67 -1.83 113.70 113.60 1j3k s SER 128 Ca 0.17 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.13 1j3k s SER 128 Cb -0.13 0.34 -0.01 0.00 -1.71 0.00 0.00 66.02 64.51 1j3k s SER 128 CO 0.04 -0.43 -0.01 0.54 1.20 0.00 0.00 173.24 174.57 1j3k n ARG 129 N 0.47 0.04 0.22 5.44 1.74 -1.26 -3.95 116.66 119.36 1j3k n ARG 129 Ca -0.10 0.01 0.09 0.00 -0.77 0.00 0.00 57.85 57.08 1j3k n ARG 129 Cb 0.59 -1.00 0.48 0.00 -1.02 0.00 0.00 32.46 31.50 1j3k n ARG 129 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1j3k h THR 130 N -0.00 0.69 -3.81 0.55 1.35 -2.00 -3.44 112.91 106.25 1j3k h THR 130 Ca -0.04 -1.12 -0.68 0.00 -0.55 0.00 0.00 66.41 64.02 1j3k h THR 130 Cb 1.05 1.72 -0.20 0.00 -1.73 0.00 0.00 68.15 69.00 1j3k h THR 130 CO -0.01 0.25 -0.80 -0.76 -0.25 0.00 0.00 175.52 173.95 1j3k s LEU 131 N -7.04 2.66 0.39 3.87 1.43 -1.26 -5.14 118.68 113.60 1j3k s LEU 131 Ca -0.00 -0.52 0.05 0.00 -1.03 0.00 0.00 54.13 52.63 1j3k s LEU 131 Cb 0.11 -1.53 -0.06 0.00 0.03 0.00 0.00 46.19 44.74 1j3k s LEU 131 CO 0.64 0.20 0.03 -0.54 0.23 0.00 0.00 176.35 176.92 1j3k s LYS 132 N -1.91 1.88 0.55 1.70 1.02 -1.26 -4.80 119.74 116.92 1j3k s LYS 132 Ca 0.17 -2.08 0.27 0.00 0.02 0.00 0.00 55.97 54.35 1j3k s LYS 132 Cb -0.11 -1.32 1.46 0.00 -0.52 0.00 0.00 37.83 37.34 1j3k s LYS 132 CO 0.08 -0.15 1.98 1.57 -0.92 0.00 0.00 175.35 177.91 1j3k h LYS 133 N 1.84 0.00 0.00 1.68 2.10 -1.94 0.11 116.57 120.36 1j3k h LYS 133 Ca -0.42 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.21 1j3k h LYS 133 Cb 1.25 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1j3k h LYS 133 CO 0.75 0.00 -0.06 0.93 -2.00 0.00 0.00 179.45 179.07 1j3k h GLU 134 N 0.00 0.00 -0.00 0.07 3.07 -2.02 -2.48 114.58 113.22 1j3k h GLU 134 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1j3k h GLU 134 Cb 1.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 1j3k h GLU 134 CO -0.00 0.06 -0.03 -0.25 -1.40 0.00 0.00 179.01 177.39 1j3k n ASP 135 N -3.31 0.22 -4.26 1.42 8.00 0.38 -4.82 116.55 114.18 1j3k n ASP 135 Ca -0.01 -0.58 -0.29 0.00 0.71 0.00 0.00 54.79 54.61 1j3k n ASP 135 Cb 0.24 -0.12 -0.16 0.00 -0.02 0.00 0.00 41.12 41.06 1j3k n ASP 135 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1j3k s PHE 136 N -2.35 2.13 -0.13 1.24 0.40 -0.93 -5.00 117.98 113.34 1j3k s PHE 136 Ca 0.34 -0.44 0.19 0.00 -0.60 0.00 0.00 56.93 56.42 1j3k s PHE 136 Cb 0.21 -1.38 -0.18 0.00 0.51 0.00 0.00 43.02 42.17 1j3k s PHE 136 CO 0.43 -0.06 0.64 -3.47 0.70 0.00 0.00 175.22 173.46 1j3k n ASP 137 N 2.58 0.53 -4.78 1.36 2.03 -1.26 -4.98 116.55 112.02 1j3k n ASP 137 Ca -0.16 0.23 -0.31 0.00 0.52 0.00 0.00 54.79 55.07 1j3k n ASP 137 Cb 0.52 0.71 0.09 0.00 -0.72 0.00 0.00 41.12 41.71 1j3k n ASP 137 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1j3k s GLU 138 N -3.00 2.33 -1.10 -0.67 8.01 -1.26 -4.96 118.70 118.04 1j3k s GLU 138 Ca -0.05 1.08 -0.21 0.00 0.01 0.00 0.00 54.97 55.80 1j3k s GLU 138 Cb 0.09 -1.91 0.06 0.00 -4.31 0.00 0.00 34.13 28.06 1j3k s GLU 138 CO 0.83 -1.57 1.52 0.34 0.01 0.00 0.00 175.26 176.40 1j3k s ASP 139 N -3.50 6.62 0.05 -0.19 -1.08 -1.26 -4.91 116.67 112.40 1j3k s ASP 139 Ca 0.61 -1.81 -0.03 0.00 -0.52 0.00 0.00 52.55 50.80 1j3k s ASP 139 Cb -0.16 -2.56 -0.03 0.00 -1.46 0.00 0.00 42.92 38.71 1j3k s ASP 139 CO 0.56 -1.37 0.04 0.68 0.52 0.00 0.00 175.17 175.59 1j3k s VAL 140 N 4.58 0.18 -0.14 1.11 -7.23 -1.26 -4.67 120.40 112.97 1j3k s VAL 140 Ca 0.48 -1.50 -0.06 0.00 -1.81 0.00 0.00 61.98 59.09 1j3k s VAL 140 Cb 0.01 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 1j3k s VAL 140 CO -0.04 -0.83 0.06 -0.31 -0.31 0.00 0.00 175.10 173.67 1j3k s TYR 141 N -3.54 3.30 -0.15 2.82 2.02 -0.55 -5.01 117.35 116.24 1j3k s TYR 141 Ca 0.03 0.21 -0.02 0.00 -0.37 0.00 0.00 57.07 56.92 1j3k s TYR 141 Cb 0.05 -1.96 -0.02 0.00 -0.40 0.00 0.00 41.96 39.63 1j3k s TYR 141 CO -0.09 0.38 -0.09 0.42 -1.57 0.00 0.00 175.55 174.60 1j3k s ILE 142 N -0.32 3.37 0.05 2.71 -1.09 -1.26 -0.83 121.20 123.83 1j3k s ILE 142 Ca 0.09 -0.54 0.06 0.00 -2.23 0.00 0.00 60.65 58.02 1j3k s ILE 142 Cb -0.12 -2.45 -0.03 0.00 -1.58 0.00 0.00 42.46 38.29 1j3k s ILE 142 CO 0.02 0.51 -0.15 0.27 -1.23 0.00 0.00 174.94 174.35 1j3k s ILE 143 N 0.44 1.23 -0.91 2.92 -4.36 -0.43 -4.95 121.20 115.14 1j3k s ILE 143 Ca -0.07 -1.15 0.09 0.00 -0.26 0.00 0.00 60.65 59.26 1j3k s ILE 143 Cb -0.15 -1.12 0.17 0.00 1.25 0.00 0.00 42.46 42.61 1j3k s ILE 143 CO 0.04 -0.04 1.03 -0.46 0.24 0.00 0.00 174.94 175.76 1j3k n ASN 144 N 1.66 2.33 -3.79 4.36 2.04 -1.25 -1.67 115.26 118.94 1j3k n ASN 144 Ca -0.19 -1.74 -0.13 0.00 -0.44 0.00 0.00 54.58 52.08 1j3k n ASN 144 Cb 0.54 -0.11 -0.10 0.00 -2.53 0.00 0.00 39.78 37.59 1j3k n ASN 144 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1j3k s LYS 145 N -0.90 0.54 0.28 -3.83 1.02 -1.26 -4.83 119.74 110.77 1j3k s LYS 145 Ca 0.15 -0.09 0.02 0.00 0.02 0.00 0.00 55.97 56.08 1j3k s LYS 145 Cb 0.09 0.24 0.43 0.00 -0.52 0.00 0.00 37.83 38.06 1j3k s LYS 145 CO 0.12 -0.13 1.74 0.28 -0.92 0.00 0.00 175.35 176.44 1j3k h VAL 146 N 4.16 1.25 -0.25 3.17 2.07 -2.02 -1.91 116.25 122.73 1j3k h VAL 146 Ca -0.29 -1.18 0.04 0.00 0.82 0.00 0.00 66.70 66.09 1j3k h VAL 146 Cb 1.18 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1j3k h VAL 146 CO 0.38 0.38 0.17 -0.33 0.02 0.00 0.00 177.57 178.19 1j3k h GLU 147 N 0.47 0.18 0.00 1.57 3.07 -2.01 -0.93 114.58 116.92 1j3k h GLU 147 Ca 0.08 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 1j3k h GLU 147 Cb 0.60 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1j3k h GLU 147 CO 0.04 0.12 -0.06 -0.44 -1.40 0.00 0.00 179.01 177.27 1j3k h ASP 148 N 0.19 0.00 -0.15 1.42 3.32 -1.76 -2.55 116.42 116.90 1j3k h ASP 148 Ca 0.11 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 1j3k h ASP 148 Cb 0.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1j3k h ASP 148 CO -0.02 0.06 -0.12 0.25 -1.72 0.00 0.00 179.24 177.70 1j3k h LEU 149 N 0.00 0.36 -0.67 1.55 5.85 -1.21 -0.51 115.31 120.67 1j3k h LEU 149 Ca -0.00 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.31 1j3k h LEU 149 Cb 0.51 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 1j3k h LEU 149 CO 0.01 0.74 0.40 0.40 -0.34 0.00 0.00 178.44 179.65 1j3k h ILE 150 N -0.02 1.04 -0.29 4.05 1.08 -1.50 0.60 117.51 122.47 1j3k h ILE 150 Ca 0.03 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1j3k h ILE 150 Cb 0.63 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 1j3k h ILE 150 CO 0.03 0.14 0.19 0.58 -0.69 0.00 0.00 178.15 178.40 1j3k h VAL 151 N 0.77 1.07 -0.17 1.67 2.07 -1.29 -1.06 116.25 119.30 1j3k h VAL 151 Ca 0.28 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.67 1j3k h VAL 151 Cb 0.09 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1j3k h VAL 151 CO -0.14 0.07 0.11 0.25 0.02 0.00 0.00 177.57 177.88 1j3k h LEU 152 N 0.38 0.20 -1.57 2.57 5.85 0.18 -1.67 115.31 121.25 1j3k h LEU 152 Ca 0.11 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.89 1j3k h LEU 152 Cb -0.04 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1j3k h LEU 152 CO -0.03 0.17 0.42 -0.07 -0.34 0.00 0.00 178.44 178.60 1j3k h LEU 153 N 0.21 0.44 -1.79 2.25 3.38 0.39 0.46 115.31 120.65 1j3k h LEU 153 Ca 0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1j3k h LEU 153 Cb 0.01 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1j3k h LEU 153 CO -0.01 0.27 0.00 1.23 0.09 0.00 0.00 178.44 180.02 1j3k h GLY 154 N 0.49 0.00 0.00 0.83 0.00 -0.22 -3.11 103.07 101.06 1j3k h GLY 154 Ca 0.29 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.44 1j3k h GLY 154 CO -0.09 0.00 -2.07 0.28 0.00 0.00 0.00 176.54 174.66 1j3k n LYS 155 N -2.82 0.86 -2.60 4.80 5.02 0.15 -5.02 118.16 118.55 1j3k n LYS 155 Ca -0.01 -0.08 -0.27 0.00 -2.02 0.00 0.00 58.31 55.93 1j3k n LYS 155 Cb 0.18 -1.46 0.01 0.00 -0.02 0.00 0.00 35.03 33.74 1j3k n LYS 155 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1j3k s LEU 156 N -4.88 3.52 -0.36 -0.35 1.43 -0.60 -5.04 118.68 112.40 1j3k s LEU 156 Ca -0.08 0.83 -0.09 0.00 -1.03 0.00 0.00 54.13 53.75 1j3k s LEU 156 Cb 0.08 -3.74 0.03 0.00 0.03 0.00 0.00 46.19 42.59 1j3k s LEU 156 CO 0.76 -0.72 0.17 0.20 0.23 0.00 0.00 176.35 176.99 1j3k s ASN 157 N -4.17 5.57 0.12 2.29 0.01 -1.26 -4.96 114.94 112.54 1j3k s ASN 157 Ca 0.49 -1.00 -0.10 0.00 -0.71 0.00 0.00 52.86 51.54 1j3k s ASN 157 Cb -0.10 -1.97 0.00 0.00 0.41 0.00 0.00 41.25 39.59 1j3k s ASN 157 CO 0.44 -0.35 0.26 -0.72 -1.51 0.00 0.00 177.10 175.23 1j3k s TYR 158 N 1.51 0.16 0.00 2.20 1.13 -1.26 -4.61 117.35 116.48 1j3k s TYR 158 Ca 0.01 -0.55 0.00 0.00 -1.41 0.00 0.00 57.07 55.12 1j3k s TYR 158 Cb -0.19 0.01 0.00 0.00 -1.10 0.00 0.00 41.96 40.67 1j3k s TYR 158 CO 0.05 -0.63 0.00 0.98 -2.51 0.00 0.00 175.55 173.44 1j3k n TYR 159 N -0.14 0.00 -4.51 -3.49 9.36 -0.58 -4.96 117.16 112.84 1j3k n TYR 159 Ca -0.13 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 60.85 1j3k n TYR 159 Cb 0.63 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 39.23 1j3k n TYR 159 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1j3k s LYS 160 N 0.00 1.74 -0.20 2.98 1.02 -1.26 -4.91 119.74 119.10 1j3k s LYS 160 Ca 0.00 -1.88 -0.00 0.00 0.02 0.00 0.00 55.97 54.11 1j3k s LYS 160 Cb 0.00 -1.62 0.02 0.00 -0.52 0.00 0.00 37.83 35.71 1j3k s LYS 160 CO 0.00 0.16 -0.14 0.00 -0.92 0.00 0.00 175.35 174.45 1j3k s PHE 162 N 1.32 2.97 -0.28 0.00 0.08 0.41 -0.29 117.98 122.20 1j3k s PHE 162 Ca 0.04 -0.56 -0.21 0.00 0.12 0.00 0.00 56.93 56.32 1j3k s PHE 162 Cb -0.14 -2.01 -0.01 0.00 -0.57 0.00 0.00 43.02 40.29 1j3k s PHE 162 CO -0.09 -0.25 0.68 0.42 -0.10 0.00 0.00 175.22 175.88 1j3k s ILE 163 N 0.80 4.92 -2.43 0.64 -1.09 0.23 -0.41 121.20 123.87 1j3k s ILE 163 Ca -0.01 1.10 0.22 0.00 -2.23 0.00 0.00 60.65 59.73 1j3k s ILE 163 Cb -0.15 -4.01 0.43 0.00 -1.58 0.00 0.00 42.46 37.15 1j3k s ILE 163 CO 0.02 -0.08 1.47 0.18 -1.23 0.00 0.00 174.94 175.30 1j3k n LEU 164 N 5.88 2.48 0.00 2.97 4.77 0.13 -2.12 117.00 131.11 1j3k n LEU 164 Ca 0.01 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 1j3k n LEU 164 Cb 0.49 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1j3k n LEU 164 CO 0.46 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 1j3k n GLY 165 N 1.30 -2.90 0.00 -0.72 0.00 -1.26 -4.94 105.19 96.67 1j3k n GLY 165 Ca 0.17 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1j3k n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j3k n GLY 166 N -0.16 -1.72 0.19 -0.02 0.00 -1.26 -2.11 105.19 100.10 1j3k n GLY 166 Ca 0.00 -1.40 -0.05 0.00 0.00 0.00 0.00 46.02 44.56 1j3k n GLY 166 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1j3k h SER 167 N 0.00 0.33 -0.64 1.61 4.64 -1.95 0.12 113.55 117.66 1j3k h SER 167 Ca 0.00 0.02 0.07 0.00 -0.47 0.00 0.00 61.79 61.41 1j3k h SER 167 Cb 0.00 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 61.99 1j3k h SER 167 CO 0.00 0.24 0.33 0.58 -0.87 0.00 0.00 176.83 177.10 1j3k h VAL 168 N 0.45 0.91 -0.25 0.95 2.07 -1.96 -0.41 116.25 118.01 1j3k h VAL 168 Ca 0.19 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1j3k h VAL 168 Cb 0.10 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1j3k h VAL 168 CO -0.13 0.11 0.03 0.58 0.02 0.00 0.00 177.57 178.18 1j3k h VAL 169 N 0.59 1.23 -0.22 2.57 2.07 -1.69 -2.76 116.25 118.04 1j3k h VAL 169 Ca 0.30 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 67.05 1j3k h VAL 169 Cb 0.25 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1j3k h VAL 169 CO -0.21 0.25 0.07 1.88 0.02 0.00 0.00 177.57 179.58 1j3k h TYR 170 N 0.22 0.13 -0.56 1.57 0.05 -0.31 -2.53 116.97 115.55 1j3k h TYR 170 Ca 0.08 0.01 0.10 0.00 0.05 0.00 0.00 58.73 58.96 1j3k h TYR 170 Cb 0.34 -0.03 -0.08 0.00 1.01 0.00 0.00 36.73 37.98 1j3k h TYR 170 CO 0.02 0.06 0.13 0.37 -1.05 0.00 0.00 178.16 177.70 1j3k h GLN 171 N 0.18 0.27 -0.00 4.88 4.15 -1.06 -1.41 115.11 122.11 1j3k h GLN 171 Ca 0.10 -0.02 -0.16 0.00 0.77 0.00 0.00 58.65 59.34 1j3k h GLN 171 Cb 0.07 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 1j3k h GLN 171 CO -0.10 0.18 -0.75 1.05 -1.93 0.00 0.00 178.83 177.27 1j3k h GLU 172 N 0.28 0.00 -0.12 1.69 4.11 -1.35 -1.08 114.58 118.11 1j3k h GLU 172 Ca 0.28 -0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.54 1j3k h GLU 172 Cb 0.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1j3k h GLU 172 CO -0.35 0.75 -0.66 0.74 0.07 0.00 0.00 179.01 179.56 1j3k h PHE 173 N 0.00 0.62 -0.15 2.06 -1.00 -1.10 -0.43 116.94 116.94 1j3k h PHE 173 Ca -0.01 -0.25 -0.09 0.00 2.81 0.00 0.00 57.97 60.43 1j3k h PHE 173 Cb 1.33 -0.10 -0.00 0.00 3.61 0.00 0.00 35.95 40.78 1j3k h PHE 173 CO 0.00 1.00 -0.26 -0.07 -1.61 0.00 0.00 178.31 177.37 1j3k h LEU 174 N 0.34 0.49 -0.56 1.54 3.38 -1.22 0.12 115.31 119.40 1j3k h LEU 174 Ca -0.02 -0.53 0.06 0.00 0.09 0.00 0.00 57.88 57.48 1j3k h LEU 174 Cb 1.22 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 1j3k h LEU 174 CO 0.12 0.93 0.28 -0.33 0.09 0.00 0.00 178.44 179.53 1j3k h GLU 175 N 0.07 0.51 0.00 1.13 5.08 -1.13 0.28 114.58 120.52 1j3k h GLU 175 Ca 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1j3k h GLU 175 Cb 0.84 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1j3k h GLU 175 CO 0.06 0.34 0.00 1.63 -1.00 0.00 0.00 179.01 180.04 1j3k n LYS 176 N -4.88 1.00 -3.87 2.33 5.02 -0.18 -4.90 118.16 112.69 1j3k n LYS 176 Ca 0.06 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.08 1j3k n LYS 176 Cb 0.17 -1.24 0.02 0.00 -0.02 0.00 0.00 35.03 33.97 1j3k n LYS 176 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1j3k n LYS 177 N -0.74 -5.07 -0.47 1.97 5.02 0.97 -4.89 118.16 114.95 1j3k n LYS 177 Ca 0.11 0.58 0.11 0.00 -2.02 0.00 0.00 58.31 57.09 1j3k n LYS 177 Cb 0.05 -5.30 0.34 0.00 -0.02 0.00 0.00 35.03 30.09 1j3k n LYS 177 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1j3k n LEU 178 N -4.53 4.23 -4.42 -0.35 4.77 0.34 -4.72 117.00 112.33 1j3k n LEU 178 Ca -0.09 -2.13 -0.37 0.00 -0.03 0.00 0.00 56.01 53.39 1j3k n LEU 178 Cb 0.58 -0.52 -0.12 0.00 -2.33 0.00 0.00 43.42 41.03 1j3k n LEU 178 CO 0.74 0.90 -0.26 -0.63 -1.33 0.00 0.00 177.39 176.81 1j3k s ILE 179 N -1.37 4.33 0.03 -0.08 -1.09 -1.26 -4.49 121.20 117.27 1j3k s ILE 179 Ca 0.49 -0.35 -0.16 0.00 -2.23 0.00 0.00 60.65 58.40 1j3k s ILE 179 Cb 0.28 -3.12 -0.36 0.00 -1.58 0.00 0.00 42.46 37.68 1j3k s ILE 179 CO 0.29 0.20 1.00 0.50 -1.23 0.00 0.00 174.94 175.71 1j3k h LYS 180 N 8.27 0.55 -3.15 2.79 3.64 -1.15 -3.44 116.57 124.08 1j3k h LYS 180 Ca -0.35 -0.92 -0.10 0.00 -1.27 0.00 0.00 60.65 58.00 1j3k h LYS 180 Cb 1.16 0.34 -0.18 0.00 -0.41 0.00 0.00 32.23 33.14 1j3k h LYS 180 CO 0.59 1.44 -0.24 0.15 -2.27 0.00 0.00 179.45 179.12 1j3k s LYS 181 N -2.61 0.76 -0.20 1.90 1.02 -1.26 -1.98 119.74 117.37 1j3k s LYS 181 Ca -0.09 -0.35 0.01 0.00 0.02 0.00 0.00 55.97 55.55 1j3k s LYS 181 Cb 0.04 0.33 0.02 0.00 -0.52 0.00 0.00 37.83 37.71 1j3k s LYS 181 CO 0.95 -0.23 -0.16 0.42 -0.92 0.00 0.00 175.35 175.40 1j3k s ILE 182 N -2.01 2.27 -0.54 2.17 1.01 -0.26 -1.66 121.20 122.20 1j3k s ILE 182 Ca -0.09 -0.99 -0.20 0.00 0.00 0.00 0.00 60.65 59.38 1j3k s ILE 182 Cb -0.03 -2.03 0.07 0.00 0.01 0.00 0.00 42.46 40.48 1j3k s ILE 182 CO 0.00 0.43 0.68 -0.31 0.00 0.00 0.00 174.94 175.74 1j3k s TYR 183 N 1.29 3.00 -0.21 3.97 2.02 0.30 -1.06 117.35 126.66 1j3k s TYR 183 Ca 0.03 -0.61 -0.04 0.00 -0.37 0.00 0.00 57.07 56.09 1j3k s TYR 183 Cb -0.14 -3.72 -0.01 0.00 -0.40 0.00 0.00 41.96 37.68 1j3k s TYR 183 CO -0.10 -1.15 -0.04 0.12 -1.57 0.00 0.00 175.55 172.81 1j3k s PHE 184 N 2.80 2.96 -0.18 2.71 2.19 -0.19 -0.87 117.98 127.40 1j3k s PHE 184 Ca 0.16 -0.80 -0.13 0.00 0.33 0.00 0.00 56.93 56.48 1j3k s PHE 184 Cb -0.20 -2.08 -0.05 0.00 -1.31 0.00 0.00 43.02 39.39 1j3k s PHE 184 CO 0.11 -0.45 0.28 0.99 1.83 0.00 0.00 175.22 177.98 1j3k s THR 185 N 1.27 5.30 -0.41 0.12 2.01 -0.32 -0.62 115.64 123.00 1j3k s THR 185 Ca 0.03 0.49 -0.15 0.00 0.31 0.00 0.00 61.69 62.38 1j3k s THR 185 Cb -0.14 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.77 1j3k s THR 185 CO -0.01 0.36 0.30 -0.13 -0.69 0.00 0.00 174.62 174.44 1j3k s ARG 186 N 0.71 2.96 -0.40 4.92 0.52 0.49 -0.92 118.95 127.23 1j3k s ARG 186 Ca 0.15 -1.03 -0.21 0.00 -0.52 0.00 0.00 55.73 54.11 1j3k s ARG 186 Cb -0.13 -3.97 0.01 0.00 0.52 0.00 0.00 34.95 31.39 1j3k s ARG 186 CO 0.04 -0.75 0.68 0.42 0.02 0.00 0.00 175.30 175.71 1j3k s ILE 187 N 1.67 4.81 -1.46 1.52 -1.09 -0.20 -2.15 121.20 124.30 1j3k s ILE 187 Ca 0.05 0.46 -0.09 0.00 -2.23 0.00 0.00 60.65 58.83 1j3k s ILE 187 Cb -0.19 -4.17 0.03 0.00 -1.58 0.00 0.00 42.46 36.55 1j3k s ILE 187 CO 0.10 -0.48 2.51 -3.20 -1.23 0.00 0.00 174.94 172.64 1j3k n ASN 188 N 6.26 7.15 -3.58 3.58 5.15 -0.56 -3.83 115.26 129.44 1j3k n ASN 188 Ca -0.00 -2.86 -0.10 0.00 -0.60 0.00 0.00 54.58 51.02 1j3k n ASN 188 Cb 0.48 -1.51 -0.02 0.00 -0.53 0.00 0.00 39.78 38.20 1j3k n ASN 188 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1j3k s SER 189 N 1.65 -0.45 -0.10 1.20 1.04 -1.26 -4.42 113.70 111.36 1j3k s SER 189 Ca 0.57 -0.21 -0.04 0.00 0.48 0.00 0.00 55.95 56.75 1j3k s SER 189 Cb 0.16 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.87 1j3k s SER 189 CO -0.07 -1.07 0.05 -0.89 0.98 0.00 0.00 173.24 172.24 1j3k s THR 190 N -3.76 4.77 0.07 2.02 2.01 -1.26 -1.62 115.64 117.86 1j3k s THR 190 Ca 0.05 -0.07 -0.09 0.00 0.31 0.00 0.00 61.69 61.89 1j3k s THR 190 Cb -0.03 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.44 1j3k s THR 190 CO -0.06 0.60 0.19 -0.31 -0.69 0.00 0.00 174.62 174.36 1j3k s TYR 191 N -0.87 0.12 0.11 4.92 2.02 -1.09 -4.94 117.35 117.62 1j3k s TYR 191 Ca 0.13 -0.48 -0.30 0.00 -0.37 0.00 0.00 57.07 56.05 1j3k s TYR 191 Cb -0.12 -0.05 -0.06 0.00 -0.40 0.00 0.00 41.96 41.33 1j3k s TYR 191 CO 0.03 -0.51 1.17 -2.00 -1.57 0.00 0.00 175.55 172.67 1j3k s GLU 192 N -3.46 4.48 0.07 -0.62 2.12 -1.26 -2.83 118.70 117.20 1j3k s GLU 192 Ca 0.02 1.77 0.01 0.00 0.36 0.00 0.00 54.97 57.13 1j3k s GLU 192 Cb 0.03 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 1j3k s GLU 192 CO -0.09 -0.15 -0.05 0.00 -0.54 0.00 0.00 175.26 174.43 1j3k n ASP 194 N 0.36 0.15 -4.04 0.00 5.68 0.13 -4.96 116.55 113.86 1j3k n ASP 194 Ca -0.15 -0.47 -0.19 0.00 -0.50 0.00 0.00 54.79 53.48 1j3k n ASP 194 Cb 0.60 0.41 -0.14 0.00 -1.14 0.00 0.00 41.12 40.84 1j3k n ASP 194 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1j3k s VAL 195 N -0.41 0.77 0.14 2.12 -7.23 -1.13 -5.01 120.40 109.65 1j3k s VAL 195 Ca 0.00 -0.50 0.06 0.00 -1.81 0.00 0.00 61.98 59.73 1j3k s VAL 195 Cb 0.00 -0.66 -0.04 0.00 0.56 0.00 0.00 36.38 36.24 1j3k s VAL 195 CO 0.00 0.16 -0.13 -0.36 -0.31 0.00 0.00 175.10 174.46 1j3k s PHE 196 N -0.35 1.41 0.36 2.82 0.40 -1.26 -1.52 117.98 119.84 1j3k s PHE 196 Ca 0.03 -0.60 -0.25 0.00 -0.60 0.00 0.00 56.93 55.51 1j3k s PHE 196 Cb -0.04 -0.72 -0.10 0.00 0.51 0.00 0.00 43.02 42.67 1j3k s PHE 196 CO -0.00 0.16 0.98 0.12 0.70 0.00 0.00 175.22 177.18 1j3k s PHE 197 N -2.50 3.50 0.61 0.36 5.36 -0.48 -4.79 117.98 120.05 1j3k s PHE 197 Ca 0.12 1.71 -0.19 0.00 -0.96 0.00 0.00 56.93 57.62 1j3k s PHE 197 Cb -0.03 -2.99 -0.03 0.00 -0.34 0.00 0.00 43.02 39.63 1j3k s PHE 197 CO 0.03 -0.13 1.25 -2.14 -1.46 0.00 0.00 175.22 172.77 1j3k s PRO 198 N -2.31 2.81 -0.07 10.12 0.02 -1.26 -4.91 135.00 139.40 1j3k s PRO 198 Ca 0.54 1.94 -0.30 0.00 0.02 0.00 0.00 61.00 63.20 1j3k s PRO 198 Cb -0.19 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 1j3k s PRO 198 CO 0.24 -1.36 1.48 -2.00 -0.33 0.00 0.00 177.00 175.03 1j3k s GLU 199 N -3.33 4.22 0.11 5.54 2.12 -1.26 -4.96 118.70 121.13 1j3k s GLU 199 Ca 0.79 1.98 -0.30 0.00 0.36 0.00 0.00 54.97 57.80 1j3k s GLU 199 Cb -0.34 -3.81 -0.06 0.00 0.26 0.00 0.00 34.13 30.18 1j3k s GLU 199 CO 0.36 -0.74 1.04 0.42 -0.54 0.00 0.00 175.26 175.81 1j3k s ILE 200 N 3.45 4.29 -0.23 -3.70 1.01 -1.26 -5.01 121.20 119.75 1j3k s ILE 200 Ca 0.66 1.83 -0.25 0.00 0.00 0.00 0.00 60.65 62.89 1j3k s ILE 200 Cb -0.29 -4.17 -0.01 0.00 0.01 0.00 0.00 42.46 38.00 1j3k s ILE 200 CO 0.24 0.25 0.83 0.21 0.00 0.00 0.00 174.94 176.47 1j3k s ASN 201 N 0.29 6.85 0.28 3.58 3.84 -1.26 -4.93 114.94 123.59 1j3k s ASN 201 Ca 0.50 1.06 0.21 0.00 0.21 0.00 0.00 52.86 54.85 1j3k s ASN 201 Cb -0.26 -2.44 1.04 0.00 -0.55 0.00 0.00 41.25 39.04 1j3k s ASN 201 CO 0.31 -0.50 1.65 1.21 -2.79 0.00 0.00 177.10 176.98 1j3k n GLU 202 N 5.89 0.15 0.05 0.43 2.13 -1.26 -1.31 120.64 126.72 1j3k n GLU 202 Ca 0.05 0.54 -0.10 0.00 0.66 0.00 0.00 57.16 58.32 1j3k n GLU 202 Cb 0.48 -1.90 -0.13 0.00 0.27 0.00 0.00 31.44 30.16 1j3k n GLU 202 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1j3k h ASN 203 N 0.00 0.10 0.45 4.31 2.35 -2.00 -3.35 115.58 117.44 1j3k h ASN 203 Ca 0.00 -0.12 -0.30 0.00 -0.55 0.00 0.00 56.30 55.33 1j3k h ASN 203 Cb 0.15 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1j3k h ASN 203 CO 0.00 1.10 -1.62 -0.33 -1.65 0.00 0.00 177.43 174.93 1j3k h GLU 204 N 0.02 0.15 -4.60 0.81 5.08 -1.63 -3.43 114.58 110.97 1j3k h GLU 204 Ca -0.11 -0.26 -0.36 0.00 -1.00 0.00 0.00 59.36 57.63 1j3k h GLU 204 Cb 1.87 0.10 -0.28 0.00 0.50 0.00 0.00 28.75 30.94 1j3k h GLU 204 CO 0.13 0.93 -0.77 0.71 -1.00 0.00 0.00 179.01 179.01 1j3k s TYR 205 N -2.61 0.70 0.03 4.33 2.02 -0.43 -0.25 117.35 121.15 1j3k s TYR 205 Ca -0.09 -0.17 0.03 0.00 -0.37 0.00 0.00 57.07 56.47 1j3k s TYR 205 Cb 0.07 -0.45 -0.02 0.00 -0.40 0.00 0.00 41.96 41.17 1j3k s TYR 205 CO 0.83 -0.01 -0.10 1.14 -1.57 0.00 0.00 175.55 175.83 1j3k s GLN 206 N -0.34 0.69 0.19 -0.62 -2.07 -0.36 -4.26 119.66 112.88 1j3k s GLN 206 Ca 0.02 -0.67 -0.30 0.00 -1.82 0.00 0.00 55.36 52.59 1j3k s GLN 206 Cb -0.04 -0.60 -0.08 0.00 -1.09 0.00 0.00 33.01 31.20 1j3k s GLN 206 CO -0.00 0.14 1.26 0.42 -1.32 0.00 0.00 175.29 175.79 1j3k s ILE 207 N -0.93 3.39 0.00 3.63 1.01 -1.26 -0.27 121.20 126.77 1j3k s ILE 207 Ca -0.03 1.15 0.00 0.00 0.00 0.00 0.00 60.65 61.77 1j3k s ILE 207 Cb -0.08 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1j3k s ILE 207 CO 0.01 0.18 0.00 2.30 0.00 0.00 0.00 174.94 177.42 1j3k n ILE 208 N 2.61 0.00 -3.66 2.92 -5.35 0.39 -4.89 119.36 111.38 1j3k n ILE 208 Ca 0.05 -0.41 -0.15 0.00 -0.27 0.00 0.00 62.75 61.98 1j3k n ILE 208 Cb 0.44 0.92 -0.08 0.00 -1.74 0.00 0.00 39.64 39.18 1j3k n ILE 208 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1j3k s SER 209 N -1.10 -0.47 -0.01 7.28 0.01 -1.21 -5.00 113.70 113.20 1j3k s SER 209 Ca 0.00 0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.93 1j3k s SER 209 Cb 0.00 0.69 0.01 0.00 0.21 0.00 0.00 66.02 66.93 1j3k s SER 209 CO 0.00 -0.39 0.01 0.68 0.41 0.00 0.00 173.24 173.94 1j3k s VAL 210 N -0.65 0.01 0.31 3.43 -7.23 -1.26 -1.52 120.40 113.49 1j3k s VAL 210 Ca -0.07 0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.15 1j3k s VAL 210 Cb -0.03 -0.05 0.06 0.00 0.56 0.00 0.00 36.38 36.92 1j3k s VAL 210 CO 0.05 0.03 0.43 -1.54 -0.31 0.00 0.00 175.10 173.76 1j3k n SER 211 N 3.41 0.62 -4.72 4.85 3.41 -0.39 -5.02 113.62 115.79 1j3k n SER 211 Ca -0.17 -1.52 -0.30 0.00 -0.26 0.00 0.00 58.87 56.63 1j3k n SER 211 Cb 0.57 -0.28 0.14 0.00 -0.26 0.00 0.00 64.21 64.38 1j3k n SER 211 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1j3k s ASP 212 N -2.77 3.47 -0.06 4.04 2.15 -1.26 -4.76 116.67 117.48 1j3k s ASP 212 Ca 0.29 1.44 -0.04 0.00 0.43 0.00 0.00 52.55 54.67 1j3k s ASP 212 Cb -0.02 -2.13 -0.04 0.00 -0.30 0.00 0.00 42.92 40.44 1j3k s ASP 212 CO 0.19 -2.63 0.12 -0.69 -0.17 0.00 0.00 175.17 171.99 1j3k s VAL 213 N -2.96 5.19 0.20 1.11 1.01 -1.26 -4.48 120.40 119.22 1j3k s VAL 213 Ca 0.63 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.55 1j3k s VAL 213 Cb -0.18 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1j3k s VAL 213 CO 0.57 0.48 0.05 -0.31 0.00 0.00 0.00 175.10 175.89 1j3k s TYR 214 N -1.13 1.30 -0.07 5.22 1.51 -0.52 -4.98 117.35 118.67 1j3k s TYR 214 Ca 0.20 -1.13 0.05 0.00 -1.01 0.00 0.00 57.07 55.18 1j3k s TYR 214 Cb -0.12 -0.74 -0.01 0.00 -0.11 0.00 0.00 41.96 40.98 1j3k s TYR 214 CO 0.10 -0.32 -0.24 0.99 -1.11 0.00 0.00 175.55 174.97 1j3k s THR 215 N -3.77 2.00 -0.17 -0.71 2.01 -1.26 -0.52 115.64 113.22 1j3k s THR 215 Ca 0.30 -1.01 -0.08 0.00 0.31 0.00 0.00 61.69 61.21 1j3k s THR 215 Cb 0.07 -1.71 0.07 0.00 0.01 0.00 0.00 72.50 70.94 1j3k s THR 215 CO 0.08 0.55 0.40 -0.55 -0.69 0.00 0.00 174.62 174.41 1j3k s SER 216 N 0.08 -0.38 -1.34 3.53 0.15 0.16 -4.93 113.70 110.96 1j3k s SER 216 Ca -0.10 0.89 -0.03 0.00 0.70 0.00 0.00 55.95 57.41 1j3k s SER 216 Cb -0.15 0.91 -0.00 0.00 -1.71 0.00 0.00 66.02 65.07 1j3k s SER 216 CO 0.06 -0.21 0.56 0.59 1.20 0.00 0.00 173.24 175.44 1j3k n ASN 217 N 4.64 -1.24 -1.21 5.45 4.13 -1.26 -2.34 115.26 123.43 1j3k n ASN 217 Ca -0.18 -0.94 -0.14 0.00 1.68 0.00 0.00 54.58 54.99 1j3k n ASN 217 Cb 0.53 -3.45 -0.05 0.00 -1.54 0.00 0.00 39.78 35.27 1j3k n ASN 217 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1j3k n ASN 218 N -2.97 -4.67 -3.81 6.41 3.02 -1.26 -5.00 115.26 106.97 1j3k n ASN 218 Ca -0.28 0.28 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 1j3k n ASN 218 Cb 0.67 -3.51 -0.08 0.00 -0.61 0.00 0.00 39.78 36.25 1j3k n ASN 218 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1j3k s THR 219 N -2.57 0.10 0.32 3.41 -1.32 -0.99 -5.08 115.64 109.51 1j3k s THR 219 Ca 0.00 -0.79 0.03 0.00 -1.21 0.00 0.00 61.69 59.72 1j3k s THR 219 Cb 0.00 -0.87 -0.02 0.00 -1.51 0.00 0.00 72.50 70.09 1j3k s THR 219 CO 0.00 -0.44 0.48 0.42 -2.21 0.00 0.00 174.62 172.88 1j3k s THR 220 N -2.41 4.82 0.08 5.08 -4.23 -1.26 -0.66 115.64 117.05 1j3k s THR 220 Ca -0.06 -0.75 -0.26 0.00 -1.18 0.00 0.00 61.69 59.44 1j3k s THR 220 Cb -0.02 -3.73 0.08 0.00 1.34 0.00 0.00 72.50 70.18 1j3k s THR 220 CO -0.03 -0.37 0.76 -1.48 -0.54 0.00 0.00 174.62 172.96 1j3k s LEU 221 N -4.21 -0.45 0.22 4.79 2.34 0.32 -1.49 118.68 120.21 1j3k s LEU 221 Ca 0.40 -0.03 -0.06 0.00 0.06 0.00 0.00 54.13 54.50 1j3k s LEU 221 Cb -0.09 2.30 -0.02 0.00 -0.56 0.00 0.00 46.19 47.82 1j3k s LEU 221 CO 0.33 -0.81 0.27 1.51 -1.06 0.00 0.00 176.35 176.60 1j3k s ASP 222 N -2.63 0.05 -0.12 1.48 1.47 -0.91 -1.44 116.67 114.57 1j3k s ASP 222 Ca 0.04 -1.19 0.02 0.00 1.18 0.00 0.00 52.55 52.60 1j3k s ASP 222 Cb -0.01 0.46 0.01 0.00 -0.34 0.00 0.00 42.92 43.04 1j3k s ASP 222 CO -0.10 -0.96 -0.19 -0.36 0.68 0.00 0.00 175.17 174.24 1j3k s PHE 223 N -4.10 2.34 0.26 2.11 0.08 -1.26 -0.38 117.98 117.03 1j3k s PHE 223 Ca 0.31 -1.13 0.10 0.00 0.12 0.00 0.00 56.93 56.34 1j3k s PHE 223 Cb 0.04 -1.62 -0.05 0.00 -0.57 0.00 0.00 43.02 40.81 1j3k s PHE 223 CO 0.10 -0.53 -0.16 0.96 -0.10 0.00 0.00 175.22 175.49 1j3k s ILE 224 N 0.84 2.13 -0.13 0.64 -4.36 0.21 -1.26 121.20 119.26 1j3k s ILE 224 Ca -0.08 -2.30 -0.00 0.00 -0.26 0.00 0.00 60.65 58.01 1j3k s ILE 224 Cb -0.15 -2.24 0.02 0.00 1.25 0.00 0.00 42.46 41.34 1j3k s ILE 224 CO -0.01 -0.45 -0.11 -0.63 0.24 0.00 0.00 174.94 173.98 1j3k s ILE 225 N -2.73 1.32 -0.07 8.37 1.01 -0.58 -1.03 121.20 127.50 1j3k s ILE 225 Ca 0.27 -0.47 -0.09 0.00 0.00 0.00 0.00 60.65 60.36 1j3k s ILE 225 Cb -0.02 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 41.13 1j3k s ILE 225 CO 0.12 0.42 0.23 -0.31 0.00 0.00 0.00 174.94 175.40 1j3k s TYR 226 N 1.59 3.63 0.03 3.97 1.51 -0.23 -0.46 117.35 127.39 1j3k s TYR 226 Ca 0.05 0.66 0.08 0.00 -1.01 0.00 0.00 57.07 56.85 1j3k s TYR 226 Cb -0.13 -2.04 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 1j3k s TYR 226 CO -0.10 0.70 -0.24 0.21 -1.11 0.00 0.00 175.55 175.01 1j3k s LYS 227 N -1.17 1.70 0.27 -0.62 2.20 0.63 -1.10 119.74 121.66 1j3k s LYS 227 Ca 0.19 -0.99 -0.30 0.00 -0.36 0.00 0.00 55.97 54.51 1j3k s LYS 227 Cb -0.13 -1.80 -0.10 0.00 -1.51 0.00 0.00 37.83 34.28 1j3k s LYS 227 CO 0.08 0.47 1.40 0.21 -0.36 0.00 0.00 175.35 177.16 1j3k s LYS 228 N -1.05 4.29 0.60 4.03 2.20 -0.84 -1.22 119.74 127.75 1j3k s LYS 228 Ca 0.10 2.27 -0.01 0.00 -0.36 0.00 0.00 55.97 57.96 1j3k s LYS 228 Cb -0.09 -3.10 0.04 0.00 -1.51 0.00 0.00 37.83 33.17 1j3k s LYS 228 CO 0.01 -0.36 0.86 0.95 -0.36 0.00 0.00 175.35 176.45 1j3k s THR 229 N -0.28 2.53 -1.27 3.43 -4.23 0.65 -4.90 115.64 111.57 1j3k s THR 229 Ca 0.57 -0.54 -0.06 0.00 -1.18 0.00 0.00 61.69 60.48 1j3k s THR 229 Cb -0.41 -2.99 0.16 0.00 1.34 0.00 0.00 72.50 70.60 1j3k s THR 229 CO 0.46 0.00 2.18 -3.20 -0.54 0.00 0.00 174.62 173.51 1j3k n ASN 230 N -2.54 7.31 0.00 3.99 5.15 -1.26 -5.02 115.26 122.90 1j3k n ASN 230 Ca 0.08 -3.22 0.00 0.00 -0.60 0.00 0.00 54.58 50.85 1j3k n ASN 230 Cb 0.60 -1.36 0.00 0.00 -0.53 0.00 0.00 39.78 38.49 1j3k n ASN 230 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25