#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jke s GLN 23 N 0.00 3.14 -0.05 3.69 -1.52 0.86 -4.94 119.66 120.83 2jke s GLN 23 Ca 0.00 -0.47 0.02 0.00 -1.95 0.00 0.00 55.36 52.96 2jke s GLN 23 Cb 0.00 -2.90 0.02 0.00 -0.22 0.00 0.00 33.01 29.90 2jke s GLN 23 CO 0.00 0.64 -0.09 0.21 -0.25 0.00 0.00 175.29 175.80 2jke s LYS 24 N -1.87 1.34 -0.04 2.91 2.20 -1.26 -0.75 119.74 122.26 2jke s LYS 24 Ca 0.25 -0.29 0.05 0.00 -0.36 0.00 0.00 55.97 55.61 2jke s LYS 24 Cb -0.12 -1.17 -0.01 0.00 -1.51 0.00 0.00 37.83 35.02 2jke s LYS 24 CO 0.16 -0.01 -0.19 -1.17 -0.36 0.00 0.00 175.35 173.78 2jke s LEU 25 N 0.72 1.97 0.07 5.43 2.96 0.42 -4.98 118.68 125.28 2jke s LEU 25 Ca -0.13 -0.39 0.08 0.00 -0.22 0.00 0.00 54.13 53.48 2jke s LEU 25 Cb -0.15 -1.06 -0.03 0.00 0.50 0.00 0.00 46.19 45.44 2jke s LEU 25 CO 0.02 0.19 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.13 2jke s THR 26 N -0.10 1.85 0.86 3.68 2.01 -1.26 -0.28 115.64 122.40 2jke s THR 26 Ca -0.02 -1.42 -0.11 0.00 0.31 0.00 0.00 61.69 60.46 2jke s THR 26 Cb -0.11 -1.63 0.11 0.00 0.01 0.00 0.00 72.50 70.88 2jke s THR 26 CO 0.02 0.14 1.11 -0.94 -0.69 0.00 0.00 174.62 174.25 2jke s SER 27 N -1.54 3.63 0.42 3.53 1.04 -0.39 -4.63 113.70 115.76 2jke s SER 27 Ca 0.09 1.87 0.12 0.00 0.48 0.00 0.00 55.95 58.50 2jke s SER 27 Cb -0.10 -2.46 0.97 0.00 0.10 0.00 0.00 66.02 64.53 2jke s SER 27 CO 0.03 -2.60 1.99 -0.65 0.98 0.00 0.00 173.24 173.00 2jke h PRO 28 N -1.52 0.46 -0.29 4.02 0.11 -1.87 -1.35 132.00 131.56 2jke h PRO 28 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2jke h PRO 28 Cb 1.26 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2jke h PRO 28 CO 0.49 0.30 0.00 -0.40 -0.21 0.00 0.00 178.00 178.18 2jke n ASP 29 N -4.47 2.13 0.00 -2.05 5.68 -1.26 -4.93 116.55 111.64 2jke n ASP 29 Ca 0.09 -1.85 0.00 0.00 -0.50 0.00 0.00 54.79 52.52 2jke n ASP 29 Cb 0.30 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 2jke n ASP 29 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2jke n ASN 30 N 0.63 -3.30 0.06 -1.12 5.03 -0.51 -4.86 115.26 111.20 2jke n ASN 30 Ca 0.16 0.00 -0.03 0.00 0.87 0.00 0.00 54.58 55.58 2jke n ASN 30 Cb 0.38 -2.01 -0.07 0.00 -1.02 0.00 0.00 39.78 37.06 2jke n ASN 30 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.26 176.21 2jke h ASN 31 N 0.00 0.00 -3.51 6.41 -0.26 -1.92 -3.46 115.58 112.85 2jke h ASN 31 Ca 0.00 0.00 -0.68 0.00 -0.56 0.00 0.00 56.30 55.06 2jke h ASN 31 Cb 0.40 0.00 -0.18 0.00 -1.06 0.00 0.00 38.32 37.49 2jke h ASN 31 CO 0.00 0.75 -0.66 -0.76 -1.06 0.00 0.00 177.43 175.70 2jke s LEU 32 N -6.30 3.33 -0.07 1.61 1.02 -1.26 -0.61 118.68 116.41 2jke s LEU 32 Ca -0.00 0.04 0.01 0.00 0.02 0.00 0.00 54.13 54.19 2jke s LEU 32 Cb 0.09 -1.75 0.02 0.00 0.02 0.00 0.00 46.19 44.57 2jke s LEU 32 CO 0.80 0.35 -0.08 -0.69 0.02 0.00 0.00 176.35 176.75 2jke s VAL 33 N -0.75 0.86 -0.15 -1.59 1.01 -0.46 -1.26 120.40 118.05 2jke s VAL 33 Ca 0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 2jke s VAL 33 Cb -0.11 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 2jke s VAL 33 CO 0.02 0.31 -0.06 -0.32 0.00 0.00 0.00 175.10 175.04 2jke s MET 34 N 1.04 3.57 -0.06 2.72 1.75 0.62 -1.22 119.30 127.72 2jke s MET 34 Ca -0.08 -0.56 0.03 0.00 -1.25 0.00 0.00 55.69 53.82 2jke s MET 34 Cb -0.14 -2.83 -0.03 0.00 2.84 0.00 0.00 34.83 34.67 2jke s MET 34 CO -0.00 0.25 -0.12 0.99 -0.65 0.00 0.00 175.02 175.48 2jke s THR 35 N 0.31 3.22 0.03 10.11 2.01 -0.68 -0.43 115.64 130.21 2jke s THR 35 Ca -0.06 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.32 2jke s THR 35 Cb -0.15 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.07 2jke s THR 35 CO 0.04 0.59 -0.10 0.12 -0.69 0.00 0.00 174.62 174.57 2jke s PHE 36 N -0.69 0.90 0.02 4.92 5.36 0.07 -1.64 117.98 126.91 2jke s PHE 36 Ca 0.11 -0.35 -0.28 0.00 -0.96 0.00 0.00 56.93 55.44 2jke s PHE 36 Cb -0.11 -0.54 0.10 0.00 -0.34 0.00 0.00 43.02 42.13 2jke s PHE 36 CO 0.01 -0.01 0.98 1.14 -1.46 0.00 0.00 175.22 175.88 2jke s GLN 37 N -1.11 0.85 0.09 10.12 -2.07 -0.58 -0.10 119.66 126.86 2jke s GLN 37 Ca -0.02 -0.39 -0.12 0.00 -1.82 0.00 0.00 55.36 53.01 2jke s GLN 37 Cb -0.07 0.34 -0.06 0.00 -1.09 0.00 0.00 33.01 32.13 2jke s GLN 37 CO 0.01 -0.38 0.46 0.14 -1.32 0.00 0.00 175.29 174.20 2jke s VAL 38 N -3.04 4.99 0.42 3.63 -7.23 -1.26 -0.41 120.40 117.50 2jke s VAL 38 Ca 0.08 0.65 -0.07 0.00 -1.81 0.00 0.00 61.98 60.83 2jke s VAL 38 Cb -0.01 -3.69 0.10 0.00 0.56 0.00 0.00 36.38 33.34 2jke s VAL 38 CO -0.05 0.31 0.52 -0.90 -0.31 0.00 0.00 175.10 174.67 2jke n ASP 39 N 0.98 -0.29 0.00 4.85 5.68 -0.23 -4.83 116.55 122.71 2jke n ASP 39 Ca -0.08 -1.10 0.09 0.00 -0.50 0.00 0.00 54.79 53.20 2jke n ASP 39 Cb 0.52 -0.41 0.43 0.00 -1.14 0.00 0.00 41.12 40.52 2jke n ASP 39 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2jke n SER 40 N -3.44 0.00 -0.70 -1.12 3.41 -1.26 -1.04 113.62 109.47 2jke n SER 40 Ca 0.07 0.25 0.06 0.00 -0.26 0.00 0.00 58.87 58.98 2jke n SER 40 Cb 0.23 -0.39 0.17 0.00 -0.26 0.00 0.00 64.21 63.97 2jke n SER 40 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2jke n LYS 41 N -1.39 2.89 -1.58 4.33 4.81 -1.26 -4.98 118.16 120.98 2jke n LYS 41 Ca 0.07 -2.18 -0.01 0.00 -0.87 0.00 0.00 58.31 55.32 2jke n LYS 41 Cb 0.18 -1.36 -0.00 0.00 0.02 0.00 0.00 35.03 33.87 2jke n LYS 41 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jke n GLY 42 N 0.43 0.39 3.67 3.14 0.00 -0.21 -0.61 105.19 112.00 2jke n GLY 42 Ca 0.13 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 2jke n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jke s ALA 43 N -2.05 3.53 0.21 4.61 0.00 -1.26 -1.60 121.76 125.20 2jke s ALA 43 Ca 0.00 -0.10 -0.32 0.00 0.00 0.00 0.00 51.96 51.54 2jke s ALA 43 Cb 0.00 -3.11 -0.12 0.00 0.00 0.00 0.00 23.12 19.89 2jke s ALA 43 CO 0.00 -0.61 1.71 -2.30 0.00 0.00 0.00 175.76 174.56 2jke n PRO 44 N 5.14 2.73 -4.05 0.00 -0.02 -1.26 -1.07 135.00 136.48 2jke n PRO 44 Ca 0.02 0.98 -0.17 0.00 -2.02 0.00 0.00 63.50 62.31 2jke n PRO 44 Cb 0.49 -2.82 -0.15 0.00 -0.02 0.00 0.00 33.50 31.00 2jke n PRO 44 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2jke s THR 45 N 1.06 0.31 0.20 3.45 2.01 0.45 -1.50 115.64 121.61 2jke s THR 45 Ca 0.75 -0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.73 2jke s THR 45 Cb -0.52 -0.34 -0.05 0.00 0.01 0.00 0.00 72.50 71.61 2jke s THR 45 CO 0.34 0.14 -0.06 -0.72 -0.69 0.00 0.00 174.62 173.63 2jke s TYR 46 N 0.57 1.47 0.10 4.92 -0.85 -0.27 -1.53 117.35 121.76 2jke s TYR 46 Ca -0.06 -0.82 -0.11 0.00 -0.52 0.00 0.00 57.07 55.56 2jke s TYR 46 Cb -0.09 -0.80 0.01 0.00 0.38 0.00 0.00 41.96 41.46 2jke s TYR 46 CO -0.01 0.05 0.26 -1.83 -1.52 0.00 0.00 175.55 172.51 2jke s GLU 47 N -3.79 0.92 -0.03 -3.49 -1.05 -0.65 -0.84 118.70 109.77 2jke s GLU 47 Ca 0.23 -0.88 -0.01 0.00 -0.15 0.00 0.00 54.97 54.17 2jke s GLU 47 Cb 0.04 0.38 0.03 0.00 -0.44 0.00 0.00 34.13 34.14 2jke s GLU 47 CO 0.05 -0.32 0.06 -1.17 0.95 0.00 0.00 175.26 174.84 2jke s LEU 48 N -2.84 1.00 0.19 1.83 2.96 -0.45 -1.69 118.68 119.68 2jke s LEU 48 Ca 0.04 0.12 0.11 0.00 -0.22 0.00 0.00 54.13 54.18 2jke s LEU 48 Cb 0.04 0.07 -0.04 0.00 0.50 0.00 0.00 46.19 46.75 2jke s LEU 48 CO -0.11 -0.13 -0.22 0.42 -1.32 0.00 0.00 176.35 174.99 2jke s THR 49 N 1.07 2.47 -0.08 3.68 -4.23 -0.36 -0.53 115.64 117.66 2jke s THR 49 Ca -0.09 -1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 58.43 2jke s THR 49 Cb -0.12 -2.19 0.03 0.00 1.34 0.00 0.00 72.50 71.56 2jke s THR 49 CO -0.04 -0.11 -0.00 -0.47 -0.54 0.00 0.00 174.62 173.46 2jke s TYR 50 N -1.66 0.75 -1.51 3.99 5.04 0.39 -1.35 117.35 122.99 2jke s TYR 50 Ca 0.21 -0.23 -0.09 0.00 -2.44 0.00 0.00 57.07 54.52 2jke s TYR 50 Cb -0.08 -0.85 0.07 0.00 0.35 0.00 0.00 41.96 41.45 2jke s TYR 50 CO 0.10 -0.35 0.68 1.63 -1.34 0.00 0.00 175.55 176.28 2jke n LYS 51 N 5.13 -3.92 -0.95 4.97 5.02 0.22 -0.73 118.16 127.90 2jke n LYS 51 Ca -0.08 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 2jke n LYS 51 Cb 0.50 -4.98 0.00 0.00 -0.02 0.00 0.00 35.03 30.53 2jke n LYS 51 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2jke n ASN 52 N -2.86 -3.82 -4.69 4.39 3.02 -1.26 -4.99 115.26 105.04 2jke n ASN 52 Ca -0.12 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.08 2jke n ASN 52 Cb 0.59 -2.05 -0.09 0.00 -0.61 0.00 0.00 39.78 37.62 2jke n ASN 52 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2jke s LYS 53 N -1.03 3.57 0.09 3.52 1.02 0.09 -5.07 119.74 121.93 2jke s LYS 53 Ca 0.00 -0.32 -0.31 0.00 0.02 0.00 0.00 55.97 55.36 2jke s LYS 53 Cb 0.00 -3.08 -0.08 0.00 -0.52 0.00 0.00 37.83 34.15 2jke s LYS 53 CO 0.00 0.50 1.53 0.08 -0.92 0.00 0.00 175.35 176.55 2jke s VAL 54 N -0.29 3.09 -0.20 3.17 1.01 -1.26 -0.46 120.40 125.46 2jke s VAL 54 Ca 0.08 0.67 -0.08 0.00 0.00 0.00 0.00 61.98 62.65 2jke s VAL 54 Cb -0.12 -3.43 -0.09 0.00 0.00 0.00 0.00 36.38 32.74 2jke s VAL 54 CO 0.02 0.02 -0.24 0.52 0.00 0.00 0.00 175.10 175.42 2jke n VAL 55 N 4.34 1.08 -4.03 2.92 0.31 0.31 -4.75 118.33 118.51 2jke n VAL 55 Ca 0.14 -0.29 -0.31 0.00 -0.01 0.00 0.00 64.34 63.86 2jke n VAL 55 Cb 0.41 -1.68 -0.16 0.00 -0.91 0.00 0.00 33.84 31.51 2jke n VAL 55 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2jke s ILE 56 N -2.36 1.84 0.93 2.52 -1.09 -0.67 -4.35 121.20 118.03 2jke s ILE 56 Ca -0.27 -1.17 -0.11 0.00 -2.23 0.00 0.00 60.65 56.86 2jke s ILE 56 Cb 0.10 -1.89 0.15 0.00 -1.58 0.00 0.00 42.46 39.24 2jke s ILE 56 CO 0.36 0.16 1.09 -0.54 -1.23 0.00 0.00 174.94 174.78 2jke s LYS 57 N 1.30 0.92 -0.22 2.79 1.02 0.00 -1.34 119.74 124.22 2jke s LYS 57 Ca -0.03 1.04 -0.41 0.00 0.02 0.00 0.00 55.97 56.60 2jke s LYS 57 Cb -0.17 -1.75 -0.17 0.00 -0.52 0.00 0.00 37.83 35.22 2jke s LYS 57 CO -0.08 -2.53 1.56 -2.30 -0.92 0.00 0.00 175.35 171.08 2jke n PRO 58 N -4.11 0.79 -3.91 -1.68 -0.02 -1.26 -4.33 135.00 120.48 2jke n PRO 58 Ca 0.08 0.29 -0.12 0.00 -2.02 0.00 0.00 63.50 61.72 2jke n PRO 58 Cb 0.54 -1.91 -0.14 0.00 -0.02 0.00 0.00 33.50 31.97 2jke n PRO 58 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2jke s SER 59 N 2.42 0.08 0.39 2.55 0.01 -0.02 -4.81 113.70 114.32 2jke s SER 59 Ca 0.96 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 58.21 2jke s SER 59 Cb -1.16 -0.01 -0.02 0.00 0.21 0.00 0.00 66.02 65.04 2jke s SER 59 CO 0.64 0.01 0.60 0.42 0.41 0.00 0.00 173.24 175.32 2jke s THR 60 N -0.03 4.66 0.01 1.44 -4.23 -1.26 -1.11 115.64 115.12 2jke s THR 60 Ca 0.00 -0.46 0.03 0.00 -1.18 0.00 0.00 61.69 60.08 2jke s THR 60 Cb -0.00 -3.71 -0.01 0.00 1.34 0.00 0.00 72.50 70.12 2jke s THR 60 CO -0.00 -0.48 -0.10 -0.76 -0.54 0.00 0.00 174.62 172.74 2jke s LEU 61 N -4.42 2.08 0.00 4.79 1.43 -0.56 -1.24 118.68 120.75 2jke s LEU 61 Ca 0.43 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 2jke s LEU 61 Cb -0.10 -0.45 0.00 0.00 0.03 0.00 0.00 46.19 45.68 2jke s LEU 61 CO 0.37 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.61 2jke n GLY 62 N 2.47 0.13 3.15 -3.19 0.00 -1.19 -4.14 105.19 102.42 2jke n GLY 62 Ca -0.16 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 2jke n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jke s LEU 63 N 0.00 2.44 -0.13 0.99 1.02 -0.14 -0.24 118.68 122.62 2jke s LEU 63 Ca 0.00 -0.88 -0.02 0.00 0.02 0.00 0.00 54.13 53.25 2jke s LEU 63 Cb 0.00 -0.13 -0.03 0.00 0.02 0.00 0.00 46.19 46.05 2jke s LEU 63 CO 0.00 -0.37 -0.06 -0.70 0.02 0.00 0.00 176.35 175.24 2jke s GLU 64 N -3.18 3.45 0.08 1.70 2.12 0.00 -1.52 118.70 121.35 2jke s GLU 64 Ca 0.06 -0.54 -0.01 0.00 0.36 0.00 0.00 54.97 54.83 2jke s GLU 64 Cb 0.01 -2.81 -0.04 0.00 0.26 0.00 0.00 34.13 31.54 2jke s GLU 64 CO -0.03 0.33 0.26 -0.51 -0.54 0.00 0.00 175.26 174.77 2jke s LEU 65 N 0.11 4.33 0.38 2.70 1.43 0.76 -0.63 118.68 127.78 2jke s LEU 65 Ca -0.02 0.36 -0.27 0.00 -1.03 0.00 0.00 54.13 53.17 2jke s LEU 65 Cb -0.14 -3.06 -0.10 0.00 0.03 0.00 0.00 46.19 42.93 2jke s LEU 65 CO 0.03 0.14 1.38 -0.75 0.23 0.00 0.00 176.35 177.38 2jke s LYS 66 N -2.55 4.07 0.33 1.70 2.20 0.09 -4.58 119.74 121.00 2jke s LYS 66 Ca 0.37 2.34 -0.29 0.00 -0.36 0.00 0.00 55.97 58.03 2jke s LYS 66 Cb -0.13 -2.89 -0.10 0.00 -1.51 0.00 0.00 37.83 33.20 2jke s LYS 66 CO 0.27 -0.47 1.37 0.21 -0.36 0.00 0.00 175.35 176.36 2jke s LYS 67 N -2.11 4.29 0.42 4.03 2.20 -1.26 -4.76 119.74 122.55 2jke s LYS 67 Ca 0.54 2.31 0.17 0.00 -0.36 0.00 0.00 55.97 58.62 2jke s LYS 67 Cb -0.42 -3.05 0.93 0.00 -1.51 0.00 0.00 37.83 33.77 2jke s LYS 67 CO 0.56 -0.30 1.90 0.93 -0.36 0.00 0.00 175.35 178.08 2jke h GLU 68 N 3.56 0.00 0.00 4.03 5.08 -1.98 -3.51 114.58 121.76 2jke h GLU 68 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2jke h GLU 68 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2jke h GLU 68 CO 0.67 0.28 0.00 -0.40 -1.00 0.00 0.00 179.01 178.56 2jke n ASP 87 N -3.99 0.00 -0.01 1.42 5.68 -1.26 -5.21 116.55 113.18 2jke n ASP 87 Ca -0.02 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.29 2jke n ASP 87 Cb 0.35 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.67 2jke n ASP 87 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 2jke h SER 88 N 0.00 0.51 0.67 -1.12 0.87 -1.98 -2.92 113.55 109.58 2jke h SER 88 Ca 0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2jke h SER 88 Cb 0.00 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 2jke h SER 88 CO 0.00 0.48 0.00 0.11 -0.53 0.00 0.00 176.83 176.89 2jke h LYS 89 N 0.56 0.00 0.00 2.24 1.57 -1.99 -2.14 116.57 116.81 2jke h LYS 89 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2jke h LYS 89 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2jke h LYS 89 CO -0.01 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.66 2jke h THR 90 N 0.00 0.00 -3.30 -0.16 1.35 -1.76 -3.43 112.91 105.62 2jke h THR 90 Ca 0.00 -0.37 -0.65 0.00 -0.55 0.00 0.00 66.41 64.84 2jke h THR 90 Cb 0.33 1.21 -0.15 0.00 -1.73 0.00 0.00 68.15 67.81 2jke h THR 90 CO 0.00 0.00 0.26 0.21 -0.25 0.00 0.00 175.52 175.74 2jke s ASN 91 N -4.64 6.29 -0.28 5.36 3.84 -0.81 -0.17 114.94 124.53 2jke s ASN 91 Ca 0.05 -0.59 0.09 0.00 0.21 0.00 0.00 52.86 52.62 2jke s ASN 91 Cb 0.10 -2.35 0.46 0.00 -0.55 0.00 0.00 41.25 38.91 2jke s ASN 91 CO 0.47 -1.00 1.18 -0.11 -2.79 0.00 0.00 177.10 174.86 2jke n LEU 92 N 6.68 4.50 0.00 3.21 7.94 -0.58 -4.76 117.00 133.99 2jke n LEU 92 Ca -0.02 -4.54 0.00 0.00 -1.11 0.00 0.00 56.01 50.33 2jke n LEU 92 Cb 0.47 -0.28 0.00 0.00 0.53 0.00 0.00 43.42 44.14 2jke n LEU 92 CO 0.58 1.97 -0.24 0.00 -1.11 0.00 0.00 177.39 178.59 2jke n TYR 93 N -0.72 0.00 -3.48 1.96 0.18 -1.13 -0.97 117.16 113.00 2jke n TYR 93 Ca 0.39 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.17 2jke n TYR 93 Cb 0.94 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.90 2jke n TYR 93 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 2jke n ASP 94 N -0.77 0.00 -0.31 9.48 5.68 -1.26 -4.23 116.55 125.13 2jke n ASP 94 Ca 0.00 -1.00 -0.04 0.00 -0.50 0.00 0.00 54.79 53.25 2jke n ASP 94 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 2jke n ASP 94 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jke n GLY 95 N 0.00 0.69 3.89 6.12 0.00 0.22 -4.89 105.19 111.22 2jke n GLY 95 Ca 0.00 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 2jke n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jke s PHE 96 N -2.12 3.45 0.06 1.61 0.08 -0.63 -3.91 117.98 116.52 2jke s PHE 96 Ca 0.00 0.71 0.07 0.00 0.12 0.00 0.00 56.93 57.83 2jke s PHE 96 Cb 0.00 -2.13 -0.03 0.00 -0.57 0.00 0.00 43.02 40.29 2jke s PHE 96 CO 0.00 0.33 -0.19 -1.83 -0.10 0.00 0.00 175.22 173.44 2jke s GLU 97 N -2.82 1.20 -0.27 0.44 -1.05 -0.21 -4.41 118.70 111.58 2jke s GLU 97 Ca 0.44 -0.94 -0.29 0.00 -0.15 0.00 0.00 54.97 54.03 2jke s GLU 97 Cb -0.12 -1.32 -0.01 0.00 -0.44 0.00 0.00 34.13 32.25 2jke s GLU 97 CO 0.23 0.33 1.39 0.08 0.95 0.00 0.00 175.26 178.24 2jke s VAL 98 N -0.90 4.02 -0.16 1.83 1.01 -1.26 -1.27 120.40 123.67 2jke s VAL 98 Ca 0.05 1.16 -0.00 0.00 0.00 0.00 0.00 61.98 63.19 2jke s VAL 98 Cb -0.09 -4.02 -0.23 0.00 0.00 0.00 0.00 36.38 32.04 2jke s VAL 98 CO 0.02 -0.40 0.20 1.17 0.00 0.00 0.00 175.10 176.09 2jke n LYS 99 N 7.36 0.71 -3.67 2.72 4.81 0.44 -4.95 118.16 125.58 2jke n LYS 99 Ca 0.16 0.21 -0.07 0.00 -0.87 0.00 0.00 58.31 57.75 2jke n LYS 99 Cb 0.46 -1.65 -0.02 0.00 0.02 0.00 0.00 35.03 33.84 2jke n LYS 99 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2jke s ASP 100 N -6.68 -0.30 -0.00 3.14 1.47 -1.19 -5.01 116.67 108.11 2jke s ASP 100 Ca -0.23 -0.30 -0.04 0.00 1.18 0.00 0.00 52.55 53.16 2jke s ASP 100 Cb 0.07 0.54 -0.00 0.00 -0.34 0.00 0.00 42.92 43.19 2jke s ASP 100 CO 0.73 -0.96 0.07 0.42 0.68 0.00 0.00 175.17 176.11 2jke s THR 101 N -3.48 0.06 -0.02 2.11 -4.23 -1.26 -0.51 115.64 108.32 2jke s THR 101 Ca 0.09 -0.53 0.02 0.00 -1.18 0.00 0.00 61.69 60.08 2jke s THR 101 Cb -0.02 -0.28 0.01 0.00 1.34 0.00 0.00 72.50 73.54 2jke s THR 101 CO -0.01 -0.29 -0.05 -1.10 -0.54 0.00 0.00 174.62 172.62 2jke s GLN 102 N -0.93 0.56 0.21 3.99 1.11 -0.22 -4.99 119.66 119.39 2jke s GLN 102 Ca -0.10 -0.16 0.11 0.00 0.01 0.00 0.00 55.36 55.21 2jke s GLN 102 Cb -0.06 -0.57 -0.05 0.00 -1.01 0.00 0.00 33.01 31.33 2jke s GLN 102 CO 0.00 0.05 -0.22 0.95 0.01 0.00 0.00 175.29 176.09 2jke s THR 103 N 0.23 2.26 0.08 -0.19 -4.23 -1.26 -0.38 115.64 112.15 2jke s THR 103 Ca -0.02 -2.10 -0.26 0.00 -1.18 0.00 0.00 61.69 58.12 2jke s THR 103 Cb -0.07 -2.11 0.08 0.00 1.34 0.00 0.00 72.50 71.74 2jke s THR 103 CO -0.00 -0.23 0.69 0.00 -0.54 0.00 0.00 174.62 174.53 2jke s ALA 104 N -1.98 -1.69 0.03 3.99 0.00 -0.97 -5.00 121.76 116.14 2jke s ALA 104 Ca 0.22 0.76 0.07 0.00 0.00 0.00 0.00 51.96 53.01 2jke s ALA 104 Cb -0.07 0.61 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 2jke s ALA 104 CO 0.10 -0.68 -0.22 0.99 0.00 0.00 0.00 175.76 175.96 2jke s THR 105 N -3.17 1.73 -0.03 0.00 2.01 -1.26 -0.24 115.64 114.67 2jke s THR 105 Ca 0.00 -1.16 0.03 0.00 0.31 0.00 0.00 61.69 60.87 2jke s THR 105 Cb -0.01 -1.49 0.00 0.00 0.01 0.00 0.00 72.50 71.02 2jke s THR 105 CO -0.09 0.28 -0.10 0.12 -0.69 0.00 0.00 174.62 174.15 2jke s PHE 106 N -0.74 1.04 -0.37 4.92 5.36 -0.55 -5.01 117.98 122.63 2jke s PHE 106 Ca 0.08 -0.26 0.05 0.00 -0.96 0.00 0.00 56.93 55.83 2jke s PHE 106 Cb -0.09 -0.73 0.16 0.00 -0.34 0.00 0.00 43.02 42.02 2jke s PHE 106 CO 0.01 -0.10 0.46 0.34 -1.46 0.00 0.00 175.22 174.47 2jke s ASP 107 N 0.15 0.20 0.03 6.13 2.15 -1.24 -1.48 116.67 122.61 2jke s ASP 107 Ca -0.03 -1.20 0.01 0.00 0.43 0.00 0.00 52.55 51.77 2jke s ASP 107 Cb -0.09 1.08 -0.02 0.00 -0.30 0.00 0.00 42.92 43.59 2jke s ASP 107 CO 0.01 -0.24 -0.05 -1.61 -0.17 0.00 0.00 175.17 173.10 2jke s GLU 108 N 1.68 0.41 0.04 4.34 2.02 -0.73 -4.99 118.70 121.47 2jke s GLU 108 Ca 0.16 -0.63 0.03 0.00 0.02 0.00 0.00 54.97 54.56 2jke s GLU 108 Cb -0.11 -0.13 -0.04 0.00 0.10 0.00 0.00 34.13 33.95 2jke s GLU 108 CO -0.07 0.01 -0.03 0.99 0.02 0.00 0.00 175.26 176.18 2jke s THR 109 N -1.26 3.88 0.12 3.63 2.01 -1.26 -0.58 115.64 122.17 2jke s THR 109 Ca -0.11 -0.83 -0.05 0.00 0.31 0.00 0.00 61.69 61.01 2jke s THR 109 Cb -0.09 -2.76 -0.02 0.00 0.01 0.00 0.00 72.50 69.64 2jke s THR 109 CO -0.00 0.29 0.15 -1.66 -0.69 0.00 0.00 174.62 172.70 2jke s TRP 110 N -1.13 0.49 -0.17 4.92 1.48 -0.28 -4.97 118.94 119.27 2jke s TRP 110 Ca 0.21 -0.90 0.00 0.00 -1.06 0.00 0.00 56.10 54.35 2jke s TRP 110 Cb -0.11 -0.23 0.01 0.00 -1.16 0.00 0.00 33.47 31.97 2jke s TRP 110 CO 0.12 -0.57 -0.16 -0.65 -4.06 0.00 0.00 176.95 171.63 2jke s GLN 111 N -3.96 3.14 0.82 3.25 -0.21 -1.26 -0.87 119.66 120.57 2jke s GLN 111 Ca 0.14 -0.77 -0.11 0.00 0.02 0.00 0.00 55.36 54.64 2jke s GLN 111 Cb 0.06 -2.65 0.08 0.00 1.00 0.00 0.00 33.01 31.50 2jke s GLN 111 CO -0.04 -0.10 1.09 -1.25 -2.12 0.00 0.00 175.29 172.87 2jke s PRO 112 N 1.09 1.91 0.16 2.91 0.04 -1.26 -4.95 135.00 134.91 2jke s PRO 112 Ca -0.00 0.91 -0.09 0.00 0.04 0.00 0.00 61.00 61.86 2jke s PRO 112 Cb -0.14 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.53 2jke s PRO 112 CO -0.05 -1.81 1.50 0.28 0.04 0.00 0.00 177.00 176.95 2jke h VAL 113 N -1.24 1.28 -3.79 -0.36 2.07 -1.95 -3.45 116.25 108.81 2jke h VAL 113 Ca -0.46 -1.56 -0.14 0.00 0.82 0.00 0.00 66.70 65.36 2jke h VAL 113 Cb 1.26 1.40 -0.19 0.00 -1.52 0.00 0.00 31.29 32.23 2jke h VAL 113 CO 0.55 0.52 -0.56 -1.66 0.02 0.00 0.00 177.57 176.43 2jke s TRP 114 N -4.38 0.19 -2.02 1.57 1.48 -1.26 -5.06 118.94 109.47 2jke s TRP 114 Ca -0.10 -0.45 0.00 0.00 -1.06 0.00 0.00 56.10 54.49 2jke s TRP 114 Cb 0.11 -0.14 0.00 0.00 -1.16 0.00 0.00 33.47 32.28 2jke s TRP 114 CO 0.87 -0.31 0.00 0.41 -4.06 0.00 0.00 176.95 173.86 2jke n GLY 115 N 1.08 -1.37 0.04 3.67 0.00 -1.26 -4.97 105.19 102.38 2jke n GLY 115 Ca -0.21 -1.00 0.13 0.00 0.00 0.00 0.00 46.02 44.95 2jke n GLY 115 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jke n GLU 116 N -0.05 0.12 -3.78 1.61 1.02 -1.26 -2.73 120.64 115.57 2jke n GLU 116 Ca 0.00 0.07 -0.09 0.00 -0.02 0.00 0.00 57.16 57.12 2jke n GLU 116 Cb 0.00 -1.61 -0.04 0.00 -0.02 0.00 0.00 31.44 29.77 2jke n GLU 116 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2jke s GLU 117 N -3.06 1.47 0.17 3.49 1.03 -1.21 -2.92 118.70 117.67 2jke s GLU 117 Ca 0.11 -0.92 -0.01 0.00 0.03 0.00 0.00 54.97 54.18 2jke s GLU 117 Cb 0.16 0.53 0.05 0.00 -0.80 0.00 0.00 34.13 34.07 2jke s GLU 117 CO 0.62 -0.63 1.42 -0.22 -1.33 0.00 0.00 175.26 175.12 2jke h LYS 118 N 2.16 0.37 -4.26 -4.83 3.64 -1.32 -3.44 116.57 108.89 2jke h LYS 118 Ca -0.27 -0.32 -0.30 0.00 -1.27 0.00 0.00 60.65 58.49 2jke h LYS 118 Cb 1.26 0.07 -0.27 0.00 -0.41 0.00 0.00 32.23 32.88 2jke h LYS 118 CO 0.35 0.97 -0.75 -1.21 -2.27 0.00 0.00 179.45 176.54 2jke s GLU 119 N -3.53 0.38 -0.05 1.90 2.02 -1.26 -4.00 118.70 114.15 2jke s GLU 119 Ca -0.05 -0.25 0.05 0.00 0.02 0.00 0.00 54.97 54.74 2jke s GLU 119 Cb 0.10 -0.33 -0.01 0.00 0.10 0.00 0.00 34.13 34.00 2jke s GLU 119 CO 0.84 0.09 -0.22 0.42 0.02 0.00 0.00 175.26 176.40 2jke s ILE 120 N -0.31 1.81 -0.11 -1.63 1.01 -0.05 -4.96 121.20 116.95 2jke s ILE 120 Ca -0.00 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 59.60 2jke s ILE 120 Cb -0.03 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.85 2jke s ILE 120 CO -0.00 0.51 0.28 -0.60 0.00 0.00 0.00 174.94 175.13 2jke s ARG 121 N -0.07 3.99 -0.36 2.79 3.52 -1.26 -1.13 118.95 126.42 2jke s ARG 121 Ca -0.04 0.11 0.00 0.00 -0.13 0.00 0.00 55.73 55.67 2jke s ARG 121 Cb -0.13 -3.32 0.10 0.00 -1.56 0.00 0.00 34.95 30.03 2jke s ARG 121 CO 0.03 0.47 0.10 1.21 -0.81 0.00 0.00 175.30 176.31 2jke s ASN 122 N -0.25 4.97 -0.17 -2.12 2.47 0.25 -4.99 114.94 115.09 2jke s ASN 122 Ca 0.17 -1.96 -0.03 0.00 0.42 0.00 0.00 52.86 51.47 2jke s ASN 122 Cb -0.14 -1.72 0.06 0.00 -1.45 0.00 0.00 41.25 38.00 2jke s ASN 122 CO 0.06 -0.42 0.05 -2.28 -3.72 0.00 0.00 177.10 170.78 2jke s HIS 123 N 1.06 0.72 0.06 0.43 5.65 -1.26 -1.77 115.29 120.17 2jke s HIS 123 Ca 0.07 -0.61 -0.12 0.00 0.25 0.00 0.00 55.06 54.66 2jke s HIS 123 Cb -0.21 -0.89 0.01 0.00 -1.18 0.00 0.00 32.58 30.31 2jke s HIS 123 CO -0.05 -0.55 0.25 1.52 -0.65 0.00 0.00 174.74 175.26 2jke s TYR 124 N 1.96 -0.01 -0.07 3.88 -0.85 -0.55 -4.57 117.35 117.13 2jke s TYR 124 Ca 0.01 -0.22 -0.12 0.00 -0.52 0.00 0.00 57.07 56.22 2jke s TYR 124 Cb -0.16 0.04 -0.05 0.00 0.38 0.00 0.00 41.96 42.17 2jke s TYR 124 CO -0.08 -0.50 0.29 -0.80 -1.52 0.00 0.00 175.55 172.94 2jke s ASN 125 N -2.26 6.59 0.06 -0.18 0.01 -0.40 -1.49 114.94 117.27 2jke s ASN 125 Ca -0.03 0.70 0.08 0.00 -0.71 0.00 0.00 52.86 52.90 2jke s ASN 125 Cb 0.00 -2.17 -0.03 0.00 0.41 0.00 0.00 41.25 39.46 2jke s ASN 125 CO -0.05 0.31 -0.19 -0.70 -1.51 0.00 0.00 177.10 174.96 2jke s GLU 126 N -0.78 1.96 -0.08 -0.60 2.12 0.66 -0.20 118.70 121.78 2jke s GLU 126 Ca 0.19 -1.05 0.01 0.00 0.36 0.00 0.00 54.97 54.48 2jke s GLU 126 Cb -0.14 -2.14 0.02 0.00 0.26 0.00 0.00 34.13 32.13 2jke s GLU 126 CO 0.08 0.52 -0.08 -1.17 -0.54 0.00 0.00 175.26 174.08 2jke s LEU 127 N -1.58 1.30 -0.15 2.70 2.96 -0.25 -2.30 118.68 121.36 2jke s LEU 127 Ca 0.15 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.79 2jke s LEU 127 Cb -0.10 -0.72 -0.02 0.00 0.50 0.00 0.00 46.19 45.84 2jke s LEU 127 CO 0.06 -0.06 -0.07 0.00 -1.32 0.00 0.00 176.35 174.95 2jke s ALA 128 N 1.24 2.84 -0.19 5.97 0.00 0.49 -0.44 121.76 131.68 2jke s ALA 128 Ca -0.05 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 2jke s ALA 128 Cb -0.14 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.54 2jke s ALA 128 CO -0.02 0.18 -0.13 0.08 0.00 0.00 0.00 175.76 175.87 2jke s VAL 129 N 0.44 2.74 -0.21 0.00 1.01 0.05 -1.06 120.40 123.38 2jke s VAL 129 Ca -0.06 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 2jke s VAL 129 Cb -0.15 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 2jke s VAL 129 CO 0.04 0.49 0.56 -0.89 0.00 0.00 0.00 175.10 175.29 2jke s THR 130 N 1.20 5.07 -0.24 3.92 2.01 0.33 -1.13 115.64 126.81 2jke s THR 130 Ca 0.02 1.03 -0.03 0.00 0.31 0.00 0.00 61.69 63.02 2jke s THR 130 Cb -0.14 -3.88 0.01 0.00 0.01 0.00 0.00 72.50 68.50 2jke s THR 130 CO -0.05 0.14 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.21 2jke s LEU 131 N 1.82 3.06 -0.14 4.42 1.43 0.54 -0.42 118.68 129.39 2jke s LEU 131 Ca 0.25 -0.64 -0.06 0.00 -1.03 0.00 0.00 54.13 52.65 2jke s LEU 131 Cb -0.16 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 2jke s LEU 131 CO 0.10 -0.08 0.09 -0.47 0.23 0.00 0.00 176.35 176.22 2jke s TYR 132 N 1.41 3.41 -0.52 0.29 5.04 -0.39 -1.04 117.35 125.55 2jke s TYR 132 Ca 0.03 0.34 -0.03 0.00 -2.44 0.00 0.00 57.07 54.97 2jke s TYR 132 Cb -0.15 -1.96 0.14 0.00 0.35 0.00 0.00 41.96 40.33 2jke s TYR 132 CO -0.04 0.51 0.33 -1.14 -1.34 0.00 0.00 175.55 173.87 2jke s GLN 133 N -0.54 2.30 0.38 4.97 0.74 0.37 -1.05 119.66 126.83 2jke s GLN 133 Ca 0.11 -2.17 0.06 0.00 0.05 0.00 0.00 55.36 53.41 2jke s GLN 133 Cb -0.12 -3.67 0.77 0.00 1.10 0.00 0.00 33.01 31.09 2jke s GLN 133 CO 0.02 -1.13 2.00 -1.35 -0.55 0.00 0.00 175.29 174.28 2jke h PRO 134 N 7.56 0.68 0.00 1.67 0.11 -1.84 -0.25 132.00 139.92 2jke h PRO 134 Ca -0.08 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 2jke h PRO 134 Cb 1.00 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 2jke h PRO 134 CO 0.71 0.45 -0.10 0.00 -0.21 0.00 0.00 178.00 178.85 2jke h MET 135 N 0.70 0.00 -0.07 1.05 -0.00 -1.94 -2.37 114.93 112.30 2jke h MET 135 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.95 2jke h MET 135 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.72 2jke h MET 135 CO -0.07 0.10 0.00 0.09 -0.00 0.00 0.00 176.91 177.03 2jke n ASN 136 N -3.64 1.86 -4.00 -0.10 5.03 -0.86 -5.00 115.26 108.56 2jke n ASN 136 Ca -0.02 -1.53 -0.29 0.00 0.87 0.00 0.00 54.58 53.61 2jke n ASN 136 Cb 0.22 -0.05 -0.02 0.00 -1.02 0.00 0.00 39.78 38.91 2jke n ASN 136 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2jke n ASP 137 N 0.22 -1.14 -3.76 6.41 2.03 -0.16 -4.93 116.55 115.22 2jke n ASP 137 Ca 0.04 -1.09 -0.10 0.00 0.52 0.00 0.00 54.79 54.16 2jke n ASP 137 Cb 0.22 -2.68 -0.07 0.00 -0.72 0.00 0.00 41.12 37.88 2jke n ASP 137 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jke s ARG 138 N -6.72 0.88 0.09 -0.67 1.70 -1.19 -4.59 118.95 108.46 2jke s ARG 138 Ca 0.12 -0.71 0.07 0.00 -0.47 0.00 0.00 55.73 54.74 2jke s ARG 138 Cb -0.05 0.37 -0.03 0.00 -0.57 0.00 0.00 34.95 34.67 2jke s ARG 138 CO 0.91 -0.30 -0.18 -1.12 -1.08 0.00 0.00 175.30 173.54 2jke s SER 139 N -2.51 2.16 0.31 -2.89 0.01 -1.26 -0.48 113.70 109.05 2jke s SER 139 Ca 0.00 -0.67 0.05 0.00 1.31 0.00 0.00 55.95 56.64 2jke s SER 139 Cb 0.02 -0.10 -0.06 0.00 0.21 0.00 0.00 66.02 66.09 2jke s SER 139 CO -0.08 -0.01 0.02 0.27 0.41 0.00 0.00 173.24 173.85 2jke s ILE 140 N -1.29 1.37 -0.05 1.44 -4.36 -0.20 -4.45 121.20 113.67 2jke s ILE 140 Ca 0.03 -2.04 0.06 0.00 -0.26 0.00 0.00 60.65 58.45 2jke s ILE 140 Cb -0.10 -2.68 -0.01 0.00 1.25 0.00 0.00 42.46 40.92 2jke s ILE 140 CO 0.03 -0.11 -0.25 -0.69 0.24 0.00 0.00 174.94 174.17 2jke s VAL 141 N -3.18 2.01 -0.19 8.37 1.01 -0.01 -0.34 120.40 128.07 2jke s VAL 141 Ca 0.34 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 2jke s VAL 141 Cb 0.07 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 2jke s VAL 141 CO 0.14 0.56 -0.02 -0.63 0.00 0.00 0.00 175.10 175.15 2jke s ILE 142 N -0.22 3.80 -0.17 2.22 1.01 -0.28 -0.01 121.20 127.55 2jke s ILE 142 Ca -0.01 -0.37 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 2jke s ILE 142 Cb -0.13 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 2jke s ILE 142 CO 0.03 0.44 -0.02 -0.60 0.00 0.00 0.00 174.94 174.80 2jke s ARG 143 N 0.93 3.71 -0.08 2.79 3.52 -0.56 -0.77 118.95 128.49 2jke s ARG 143 Ca 0.01 -0.49 0.04 0.00 -0.13 0.00 0.00 55.73 55.15 2jke s ARG 143 Cb -0.14 -2.99 -0.01 0.00 -1.56 0.00 0.00 34.95 30.24 2jke s ARG 143 CO 0.01 0.20 -0.20 -0.06 -0.81 0.00 0.00 175.30 174.45 2jke s PHE 144 N 0.48 2.60 -0.15 5.12 0.08 0.42 -1.68 117.98 124.86 2jke s PHE 144 Ca -0.02 -0.65 0.00 0.00 0.12 0.00 0.00 56.93 56.39 2jke s PHE 144 Cb -0.14 -1.69 0.02 0.00 -0.57 0.00 0.00 43.02 40.65 2jke s PHE 144 CO 0.02 -0.17 -0.15 1.03 -0.10 0.00 0.00 175.22 175.85 2jke s ARG 145 N -0.05 2.37 -0.22 0.44 0.52 0.69 -1.09 118.95 121.60 2jke s ARG 145 Ca -0.05 -0.59 -0.02 0.00 -0.52 0.00 0.00 55.73 54.55 2jke s ARG 145 Cb -0.14 -2.15 0.01 0.00 0.52 0.00 0.00 34.95 33.18 2jke s ARG 145 CO 0.04 -0.23 -0.07 -1.17 0.02 0.00 0.00 175.30 173.90 2jke s LEU 146 N 1.45 2.89 0.38 2.53 2.96 0.72 -1.07 118.68 128.54 2jke s LEU 146 Ca 0.05 -0.59 0.07 0.00 -0.22 0.00 0.00 54.13 53.44 2jke s LEU 146 Cb -0.13 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 2jke s LEU 146 CO -0.11 -0.06 0.45 -0.36 -1.32 0.00 0.00 176.35 174.96 2jke s PHE 147 N 1.40 2.89 -0.36 5.38 0.08 0.47 -1.28 117.98 126.57 2jke s PHE 147 Ca 0.04 -0.35 0.22 0.00 0.12 0.00 0.00 56.93 56.96 2jke s PHE 147 Cb -0.15 -2.13 1.05 0.00 -0.57 0.00 0.00 43.02 41.22 2jke s PHE 147 CO -0.05 -0.14 1.68 0.09 -0.10 0.00 0.00 175.22 176.69 2jke n ASN 148 N -1.65 0.61 -0.08 1.36 3.02 -1.26 -2.52 115.26 114.74 2jke n ASN 148 Ca 0.03 0.71 0.04 0.00 -0.03 0.00 0.00 54.58 55.33 2jke n ASN 148 Cb 0.59 -0.82 0.06 0.00 -0.61 0.00 0.00 39.78 39.01 2jke n ASN 148 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2jke n ASP 149 N -2.24 2.22 0.00 6.41 5.75 -1.26 -4.90 116.55 122.53 2jke n ASP 149 Ca 0.00 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.41 2jke n ASP 149 Cb 0.14 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 2jke n ASP 149 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jke n GLY 150 N -0.74 -0.40 3.15 6.12 0.00 -1.05 -1.23 105.19 111.04 2jke n GLY 150 Ca 0.06 -1.52 -0.27 0.00 0.00 0.00 0.00 46.02 44.29 2jke n GLY 150 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jke s LEU 151 N 0.00 1.93 0.06 0.99 2.96 0.31 -0.39 118.68 124.54 2jke s LEU 151 Ca 0.00 -0.37 0.09 0.00 -0.22 0.00 0.00 54.13 53.63 2jke s LEU 151 Cb 0.00 -1.02 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 2jke s LEU 151 CO 0.00 0.16 -0.25 -0.83 -1.32 0.00 0.00 176.35 174.11 2jke s GLY 152 N 0.02 1.46 0.04 7.98 0.00 -0.23 -0.19 107.32 116.40 2jke s GLY 152 Ca -0.04 -1.29 -0.03 0.00 0.00 0.00 0.00 44.72 43.36 2jke s GLY 152 CO 0.02 -1.19 0.04 -0.11 0.00 0.00 0.00 173.10 171.87 2jke s PHE 153 N -0.86 0.32 0.13 1.90 -0.12 -0.32 -0.22 117.98 118.80 2jke s PHE 153 Ca 0.13 -0.71 -0.10 0.00 -0.05 0.00 0.00 56.93 56.19 2jke s PHE 153 Cb -0.10 -0.23 0.00 0.00 -0.63 0.00 0.00 43.02 42.06 2jke s PHE 153 CO 0.03 -0.36 0.27 -0.98 -0.05 0.00 0.00 175.22 174.14 2jke s ARG 154 N -2.97 1.03 -0.06 1.99 1.70 -0.68 0.07 118.95 120.03 2jke s ARG 154 Ca -0.02 -1.01 -0.04 0.00 -0.47 0.00 0.00 55.73 54.19 2jke s ARG 154 Cb 0.01 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.73 2jke s ARG 154 CO -0.06 -0.37 0.14 0.71 -1.08 0.00 0.00 175.30 174.64 2jke s TYR 155 N -3.90 3.52 -0.03 5.89 2.02 -1.26 -1.50 117.35 122.08 2jke s TYR 155 Ca 0.10 0.40 0.05 0.00 -0.37 0.00 0.00 57.07 57.25 2jke s TYR 155 Cb 0.04 -1.86 -0.01 0.00 -0.40 0.00 0.00 41.96 39.72 2jke s TYR 155 CO -0.06 0.66 -0.18 -1.21 -1.57 0.00 0.00 175.55 173.19 2jke s GLU 156 N -1.48 1.68 -0.38 -0.62 2.02 0.99 -0.87 118.70 120.05 2jke s GLU 156 Ca 0.21 -0.65 0.03 0.00 0.02 0.00 0.00 54.97 54.58 2jke s GLU 156 Cb -0.12 -1.53 0.11 0.00 0.10 0.00 0.00 34.13 32.68 2jke s GLU 156 CO 0.11 0.33 0.10 -0.06 0.02 0.00 0.00 175.26 175.76 2jke s PHE 157 N -0.21 3.38 0.62 1.61 0.08 0.43 -0.83 117.98 123.06 2jke s PHE 157 Ca 0.02 -2.89 -0.17 0.00 0.12 0.00 0.00 56.93 54.00 2jke s PHE 157 Cb -0.09 -2.75 -0.02 0.00 -0.57 0.00 0.00 43.02 39.59 2jke s PHE 157 CO 0.01 -0.90 1.15 -2.14 -0.10 0.00 0.00 175.22 173.24 2jke s PRO 158 N 0.72 2.92 0.22 0.24 0.02 -1.26 -2.24 135.00 135.61 2jke s PRO 158 Ca 0.12 1.59 -0.30 0.00 0.02 0.00 0.00 61.00 62.43 2jke s PRO 158 Cb -0.20 -1.95 -0.09 0.00 0.02 0.00 0.00 34.50 32.28 2jke s PRO 158 CO -0.08 -1.19 1.32 -1.14 -0.33 0.00 0.00 177.00 175.58 2jke s GLN 159 N -3.67 4.38 0.15 5.54 0.74 -1.26 -4.77 119.66 120.76 2jke s GLN 159 Ca 0.72 2.08 -0.25 0.00 0.05 0.00 0.00 55.36 57.96 2jke s GLN 159 Cb -0.25 -3.18 0.06 0.00 1.10 0.00 0.00 33.01 30.75 2jke s GLN 159 CO 0.36 -0.25 0.86 1.14 -0.55 0.00 0.00 175.29 176.84 2jke s GLN 160 N -0.29 1.25 0.33 1.67 -2.07 -1.22 -4.99 119.66 114.33 2jke s GLN 160 Ca 0.56 -0.64 0.02 0.00 -1.82 0.00 0.00 55.36 53.49 2jke s GLN 160 Cb -0.37 0.46 0.61 0.00 -1.09 0.00 0.00 33.01 32.62 2jke s GLN 160 CO 0.40 -0.57 1.95 -0.22 -1.32 0.00 0.00 175.29 175.53 2jke h LYS 161 N 2.00 0.89 -0.37 9.60 3.11 -1.93 -3.08 116.57 126.80 2jke h LYS 161 Ca -0.24 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.55 2jke h LYS 161 Cb 1.24 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.27 2jke h LYS 161 CO 0.27 0.59 0.00 -1.13 -2.81 0.00 0.00 179.45 176.37 2jke n SER 162 N -4.47 3.18 -3.40 4.20 3.41 -1.26 -4.78 113.62 110.50 2jke n SER 162 Ca 0.11 -1.92 -0.16 0.00 -0.26 0.00 0.00 58.87 56.65 2jke n SER 162 Cb 0.17 -0.24 -0.10 0.00 -0.26 0.00 0.00 64.21 63.79 2jke n SER 162 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2jke s LEU 163 N -1.23 -0.32 0.00 1.04 2.96 -1.16 -4.92 118.68 115.05 2jke s LEU 163 Ca 0.33 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 2jke s LEU 163 Cb 0.19 0.61 0.00 0.00 0.50 0.00 0.00 46.19 47.49 2jke s LEU 163 CO 0.26 -0.37 0.00 0.59 -1.32 0.00 0.00 176.35 175.51 2jke n ASN 164 N 5.32 0.00 -4.77 3.68 4.13 -1.26 -3.46 115.26 118.90 2jke n ASN 164 Ca -0.02 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.87 2jke n ASN 164 Cb 0.47 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.65 2jke n ASN 164 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2jke s TYR 165 N 0.00 3.54 0.12 3.10 2.02 -1.26 -0.77 117.35 124.09 2jke s TYR 165 Ca 0.00 0.68 -0.18 0.00 -0.37 0.00 0.00 57.07 57.20 2jke s TYR 165 Cb 0.00 -2.28 0.04 0.00 -0.40 0.00 0.00 41.96 39.32 2jke s TYR 165 CO 0.00 0.39 0.44 -0.59 -1.57 0.00 0.00 175.55 174.23 2jke s PHE 166 N -0.07 -0.28 -0.06 2.71 -0.12 -0.73 -5.01 117.98 114.42 2jke s PHE 166 Ca 0.18 0.04 0.06 0.00 -0.05 0.00 0.00 56.93 57.16 2jke s PHE 166 Cb -0.14 0.31 -0.01 0.00 -0.63 0.00 0.00 43.02 42.56 2jke s PHE 166 CO 0.06 -0.71 -0.25 0.08 -0.05 0.00 0.00 175.22 174.35 2jke s VAL 167 N -3.58 2.04 -0.18 -2.49 1.01 -1.26 -0.73 120.40 115.22 2jke s VAL 167 Ca 0.01 -1.06 -0.25 0.00 0.00 0.00 0.00 61.98 60.68 2jke s VAL 167 Cb 0.01 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 2jke s VAL 167 CO -0.11 0.57 0.82 -0.63 0.00 0.00 0.00 175.10 175.76 2jke s ILE 168 N -0.15 4.88 -0.11 2.22 1.01 0.08 -0.73 121.20 128.40 2jke s ILE 168 Ca -0.04 1.61 -0.24 0.00 0.00 0.00 0.00 60.65 61.98 2jke s ILE 168 Cb -0.14 -4.13 -0.21 0.00 0.01 0.00 0.00 42.46 38.00 2jke s ILE 168 CO 0.04 0.02 0.74 0.50 0.00 0.00 0.00 174.94 176.23 2jke h LYS 169 N 7.36 -0.03 -2.61 2.79 3.64 -1.12 0.46 116.57 127.07 2jke h LYS 169 Ca -0.29 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.02 2jke h LYS 169 Cb 1.13 0.01 -0.18 0.00 -0.41 0.00 0.00 32.23 32.78 2jke h LYS 169 CO 0.84 0.71 0.02 -2.00 -2.27 0.00 0.00 179.45 176.75 2jke s GLU 170 N -2.51 0.97 -0.02 1.90 2.56 -0.94 -4.39 118.70 116.28 2jke s GLU 170 Ca -0.15 -0.09 -0.09 0.00 0.00 0.00 0.00 54.97 54.63 2jke s GLU 170 Cb -0.02 0.45 -0.05 0.00 2.00 0.00 0.00 34.13 36.51 2jke s GLU 170 CO 0.57 -0.32 0.29 -2.00 -0.56 0.00 0.00 175.26 173.24 2jke s GLU 171 N -1.89 3.66 -0.50 4.30 2.12 -1.26 -0.82 118.70 124.31 2jke s GLU 171 Ca -0.08 0.08 0.07 0.00 0.36 0.00 0.00 54.97 55.39 2jke s GLU 171 Cb -0.01 -3.13 0.37 0.00 0.26 0.00 0.00 34.13 31.61 2jke s GLU 171 CO 0.03 0.68 0.96 0.72 -0.54 0.00 0.00 175.26 177.11 2jke n HIS 172 N 1.50 3.20 -2.92 5.30 8.25 0.67 -4.54 115.22 126.68 2jke n HIS 172 Ca -0.14 -3.68 -0.42 0.00 -0.26 0.00 0.00 57.72 53.23 2jke n HIS 172 Cb 0.53 -0.37 -0.05 0.00 1.12 0.00 0.00 29.99 31.23 2jke n HIS 172 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2jke s SER 173 N -3.33 6.78 0.10 0.41 0.01 -1.26 -3.16 113.70 113.25 2jke s SER 173 Ca 0.46 0.96 -0.04 0.00 1.31 0.00 0.00 55.95 58.64 2jke s SER 173 Cb 0.33 -2.42 -0.05 0.00 0.21 0.00 0.00 66.02 64.09 2jke s SER 173 CO -0.13 -0.51 0.32 -1.10 0.41 0.00 0.00 173.24 172.22 2jke s GLN 174 N 2.83 3.58 -0.38 12.44 -0.21 -0.38 -0.86 119.66 136.67 2jke s GLN 174 Ca 0.34 -0.16 0.01 0.00 0.02 0.00 0.00 55.36 55.57 2jke s GLN 174 Cb -0.15 -2.94 0.13 0.00 1.00 0.00 0.00 33.01 31.05 2jke s GLN 174 CO 0.08 0.54 0.20 -0.06 -2.12 0.00 0.00 175.29 173.92 2jke s PHE 175 N -1.55 1.52 -0.14 0.91 0.08 0.55 -4.68 117.98 114.67 2jke s PHE 175 Ca 0.37 -2.01 -0.24 0.00 0.12 0.00 0.00 56.93 55.16 2jke s PHE 175 Cb -0.13 -1.56 -0.02 0.00 -0.57 0.00 0.00 43.02 40.75 2jke s PHE 175 CO 0.24 -0.82 0.78 0.20 -0.10 0.00 0.00 175.22 175.52 2jke s GLY 176 N 0.86 2.24 0.38 4.36 0.00 -1.26 -1.45 107.32 112.46 2jke s GLY 176 Ca 0.16 0.03 -0.08 0.00 0.00 0.00 0.00 44.72 44.83 2jke s GLY 176 CO -0.06 1.50 0.71 1.06 0.00 0.00 0.00 173.10 176.31 2jke s MET 177 N 1.76 3.69 0.00 2.90 1.00 0.15 -0.82 119.30 127.99 2jke s MET 177 Ca 0.37 0.28 0.23 0.00 0.00 0.00 0.00 55.69 56.57 2jke s MET 177 Cb -0.17 -2.47 0.67 0.00 0.00 0.00 0.00 34.83 32.87 2jke s MET 177 CO 0.14 0.01 1.52 -1.71 0.00 0.00 0.00 175.02 174.98 2jke n ASN 178 N -1.36 2.17 -3.63 3.03 5.15 -1.26 -4.72 115.26 114.63 2jke n ASN 178 Ca 0.01 -1.76 -0.02 0.00 -0.60 0.00 0.00 54.58 52.21 2jke n ASN 178 Cb 0.54 -0.10 -0.00 0.00 -0.53 0.00 0.00 39.78 39.69 2jke n ASN 178 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2jke s GLY 179 N -1.70 -0.19 -1.33 8.20 0.00 -1.26 -5.05 107.32 105.99 2jke s GLY 179 Ca 0.34 0.15 -0.17 0.00 0.00 0.00 0.00 44.72 45.04 2jke s GLY 179 CO 0.29 0.86 1.83 1.34 0.00 0.00 0.00 173.10 177.43 2jke n ASP 180 N -0.68 4.74 -4.74 1.64 2.03 -1.26 -4.99 116.55 113.29 2jke n ASP 180 Ca -0.05 -2.90 -0.29 0.00 0.52 0.00 0.00 54.79 52.06 2jke n ASP 180 Cb 0.61 -1.73 0.14 0.00 -0.72 0.00 0.00 41.12 39.42 2jke n ASP 180 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2jke s HIS 181 N 4.07 2.39 0.05 -0.67 3.76 -1.26 -4.58 115.29 119.04 2jke s HIS 181 Ca 0.53 1.04 -0.26 0.00 -0.15 0.00 0.00 55.06 56.22 2jke s HIS 181 Cb 0.06 -3.25 -0.05 0.00 1.11 0.00 0.00 32.58 30.45 2jke s HIS 181 CO 0.05 -2.45 0.81 0.42 -0.85 0.00 0.00 174.74 172.72 2jke s ILE 182 N -3.08 4.72 0.15 0.60 1.01 -0.51 -1.46 121.20 122.63 2jke s ILE 182 Ca 0.64 1.72 0.11 0.00 0.00 0.00 0.00 60.65 63.11 2jke s ILE 182 Cb -0.17 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 2jke s ILE 182 CO 0.56 0.34 -0.25 0.00 0.00 0.00 0.00 174.94 175.59 2jke s ALA 183 N 0.07 2.32 -0.32 9.38 0.00 0.88 -0.64 121.76 133.46 2jke s ALA 183 Ca 0.41 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.88 2jke s ALA 183 Cb -0.21 -0.34 0.08 0.00 0.00 0.00 0.00 23.12 22.65 2jke s ALA 183 CO 0.24 0.47 0.03 -0.06 0.00 0.00 0.00 175.76 176.44 2jke s PHE 184 N -1.30 3.46 0.05 0.00 0.08 0.09 -1.83 117.98 118.52 2jke s PHE 184 Ca 0.15 -2.36 0.00 0.00 0.12 0.00 0.00 56.93 54.84 2jke s PHE 184 Cb -0.09 -2.50 -0.03 0.00 -0.57 0.00 0.00 43.02 39.82 2jke s PHE 184 CO 0.07 -0.89 -0.04 1.67 -0.10 0.00 0.00 175.22 175.92 2jke s TRP 185 N 1.11 0.52 0.20 0.36 1.48 -0.64 -3.53 118.94 118.44 2jke s TRP 185 Ca 0.01 -0.78 0.11 0.00 -1.06 0.00 0.00 56.10 54.37 2jke s TRP 185 Cb -0.20 -0.35 -0.04 0.00 -1.16 0.00 0.00 33.47 31.71 2jke s TRP 185 CO -0.04 -0.23 -0.22 0.96 -4.06 0.00 0.00 176.95 173.35 2jke s ILE 186 N -2.69 2.25 0.25 0.66 -4.36 -1.26 -1.33 121.20 114.71 2jke s ILE 186 Ca -0.02 -2.05 -0.31 0.00 -0.26 0.00 0.00 60.65 58.01 2jke s ILE 186 Cb -0.01 -2.08 -0.13 0.00 1.25 0.00 0.00 42.46 41.49 2jke s ILE 186 CO -0.05 -0.20 1.45 -2.65 0.24 0.00 0.00 174.94 173.74 2jke n PRO 187 N 0.16 2.17 -1.73 0.37 -0.02 -1.26 -1.91 135.00 132.79 2jke n PRO 187 Ca -0.12 0.77 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 2jke n PRO 187 Cb 0.57 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 2jke n PRO 187 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jke n GLY 188 N 2.22 1.34 3.64 -1.23 0.00 0.52 -4.32 105.19 107.35 2jke n GLY 188 Ca 0.11 0.52 -0.09 0.00 0.00 0.00 0.00 46.02 46.56 2jke n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jke s ASP 189 N 0.70 -0.77 0.00 1.61 -1.08 -1.26 -3.38 116.67 112.49 2jke s ASP 189 Ca 0.69 1.34 0.29 0.00 -0.52 0.00 0.00 52.55 54.35 2jke s ASP 189 Cb -0.52 1.34 1.22 0.00 -1.46 0.00 0.00 42.92 43.50 2jke s ASP 189 CO 0.43 -0.22 1.88 -1.22 0.52 0.00 0.00 175.17 176.56 2jke n TYR 190 N 3.40 0.00 0.00 -5.34 4.01 -0.36 -4.45 117.16 114.43 2jke n TYR 190 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 2jke n TYR 190 Cb 0.57 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 2jke n TYR 190 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2jke n ASP 191 N -1.28 2.36 -4.04 7.72 8.00 -1.26 -2.22 116.55 125.82 2jke n ASP 191 Ca 0.11 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.53 2jke n ASP 191 Cb 0.29 0.37 -0.10 0.00 -0.02 0.00 0.00 41.12 41.66 2jke n ASP 191 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2jke s THR 192 N -1.18 0.20 -0.03 -3.53 -1.32 -1.25 -4.72 115.64 103.81 2jke s THR 192 Ca 0.00 -1.40 0.04 0.00 -1.21 0.00 0.00 61.69 59.12 2jke s THR 192 Cb 0.00 -0.95 0.06 0.00 -1.51 0.00 0.00 72.50 70.10 2jke s THR 192 CO 0.00 -0.76 1.01 0.00 -2.21 0.00 0.00 174.62 172.66 2jke n GLN 193 N 0.79 2.44 -0.92 7.08 3.00 -1.26 -4.65 117.38 123.87 2jke n GLN 193 Ca -0.19 -1.69 -0.12 0.00 -0.01 0.00 0.00 57.00 55.00 2jke n GLN 193 Cb 0.58 -1.08 -0.08 0.00 0.00 0.00 0.00 30.24 29.66 2jke n GLN 193 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2jke n GLU 194 N -0.68 1.75 -4.27 -1.09 1.02 -1.26 -3.36 120.64 112.75 2jke n GLU 194 Ca 0.04 -1.00 -0.31 0.00 -0.02 0.00 0.00 57.16 55.87 2jke n GLU 194 Cb 0.35 -1.69 -0.09 0.00 -0.02 0.00 0.00 31.44 29.99 2jke n GLU 194 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2jke s TYR 195 N -0.06 2.91 0.46 -0.32 2.02 -1.26 -4.72 117.35 116.39 2jke s TYR 195 Ca 0.42 -0.04 -0.24 0.00 -0.37 0.00 0.00 57.07 56.84 2jke s TYR 195 Cb 0.23 -1.55 -0.07 0.00 -0.40 0.00 0.00 41.96 40.16 2jke s TYR 195 CO -0.04 0.43 1.26 -0.51 -1.57 0.00 0.00 175.55 175.12 2jke s ASP 196 N -1.91 5.99 0.55 2.29 1.01 -1.26 -4.54 116.67 118.81 2jke s ASP 196 Ca 0.21 2.53 -0.19 0.00 0.71 0.00 0.00 52.55 55.82 2jke s ASP 196 Cb -0.11 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.14 2jke s ASP 196 CO 0.13 -1.06 1.12 -0.31 0.21 0.00 0.00 175.17 175.26 2jke s TYR 197 N -1.39 2.70 -0.03 4.23 1.51 -1.26 -4.77 117.35 118.34 2jke s TYR 197 Ca 0.63 1.55 0.05 0.00 -1.01 0.00 0.00 57.07 58.29 2jke s TYR 197 Cb -0.35 -3.25 -0.03 0.00 -0.11 0.00 0.00 41.96 38.23 2jke s TYR 197 CO 0.43 -1.51 -0.18 0.99 -1.11 0.00 0.00 175.55 174.17 2jke s THR 198 N -1.88 2.75 -0.26 -0.71 2.01 -0.44 -4.95 115.64 112.16 2jke s THR 198 Ca 0.71 -0.89 -0.04 0.00 0.31 0.00 0.00 61.69 61.78 2jke s THR 198 Cb -0.22 -2.06 0.01 0.00 0.01 0.00 0.00 72.50 70.23 2jke s THR 198 CO 0.28 0.55 -0.00 -0.63 -0.69 0.00 0.00 174.62 174.13 2jke s ILE 199 N -0.73 3.40 0.23 1.82 1.01 -1.26 -1.62 121.20 124.06 2jke s ILE 199 Ca 0.12 -0.77 -0.19 0.00 0.00 0.00 0.00 60.65 59.80 2jke s ILE 199 Cb -0.10 -2.69 0.03 0.00 0.01 0.00 0.00 42.46 39.70 2jke s ILE 199 CO 0.01 0.21 0.61 -0.94 0.00 0.00 0.00 174.94 174.83 2jke s SER 200 N 1.43 -0.29 0.73 3.58 1.04 -0.76 -4.98 113.70 114.45 2jke s SER 200 Ca 0.02 -0.51 -0.13 0.00 0.48 0.00 0.00 55.95 55.81 2jke s SER 200 Cb -0.16 0.64 0.04 0.00 0.10 0.00 0.00 66.02 66.64 2jke s SER 200 CO -0.02 -1.17 1.13 -0.13 0.98 0.00 0.00 173.24 174.03 2jke s ARG 201 N -3.89 2.31 0.32 4.02 1.81 -1.26 -0.08 118.95 122.17 2jke s ARG 201 Ca 0.10 1.42 0.02 0.00 -1.72 0.00 0.00 55.73 55.56 2jke s ARG 201 Cb -0.03 -1.89 0.60 0.00 -0.45 0.00 0.00 34.95 33.18 2jke s ARG 201 CO 0.01 -1.64 1.91 -0.07 -0.68 0.00 0.00 175.30 174.83 2jke h LEU 202 N -0.57 0.84 -0.64 2.53 3.38 -1.50 0.00 115.31 119.36 2jke h LEU 202 Ca -0.46 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2jke h LEU 202 Cb 1.25 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2jke h LEU 202 CO 0.51 0.52 0.00 -1.54 0.09 0.00 0.00 178.44 178.02 2jke n SER 203 N -4.51 0.55 -0.11 -0.43 3.41 -1.26 -2.36 113.62 108.91 2jke n SER 203 Ca 0.14 0.65 0.11 0.00 -0.26 0.00 0.00 58.87 59.50 2jke n SER 203 Cb 0.24 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 2jke n SER 203 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jke n GLU 204 N -2.12 0.29 0.04 4.33 1.02 -0.02 -4.51 120.64 119.67 2jke n GLU 204 Ca 0.02 -0.23 -0.11 0.00 -0.02 0.00 0.00 57.16 56.82 2jke n GLU 204 Cb 0.20 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.07 2jke n GLU 204 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2jke h ILE 205 N 0.56 0.82 -0.69 -3.67 2.04 -1.35 -2.61 117.51 112.61 2jke h ILE 205 Ca 0.00 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.00 2jke h ILE 205 Cb 0.55 0.82 -0.10 0.00 -0.74 0.00 0.00 36.82 37.35 2jke h ILE 205 CO 0.00 0.00 0.18 -0.09 0.00 0.00 0.00 178.15 178.24 2jke h ARG 206 N -0.11 0.29 0.00 2.37 2.43 -1.79 -0.08 114.38 117.48 2jke h ARG 206 Ca 0.03 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2jke h ARG 206 Cb 0.16 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2jke h ARG 206 CO -0.08 0.19 -0.04 0.78 -1.51 0.00 0.00 179.97 179.30 2jke h GLY 207 N 0.30 0.00 0.00 2.80 0.00 -1.78 -3.20 103.07 101.19 2jke h GLY 207 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 2jke h GLY 207 CO -0.45 0.00 -0.99 1.04 0.00 0.00 0.00 176.54 176.14 2jke n LEU 208 N -3.17 0.67 -0.15 3.11 4.77 -0.21 -4.61 117.00 117.42 2jke n LEU 208 Ca 0.00 -0.41 -0.05 0.00 -0.03 0.00 0.00 56.01 55.52 2jke n LEU 208 Cb 0.31 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.44 2jke n LEU 208 CO 0.28 0.17 1.00 -0.03 -1.33 0.00 0.00 177.39 177.48 2jke h MET 209 N 0.00 0.43 -0.47 3.23 4.05 -1.11 -1.37 114.93 119.69 2jke h MET 209 Ca 0.00 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.42 2jke h MET 209 Cb 0.48 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.15 2jke h MET 209 CO 0.00 0.28 0.26 -0.22 0.23 0.00 0.00 176.91 177.46 2jke h LYS 210 N 0.44 0.50 0.00 0.39 3.64 -1.81 -1.63 116.57 118.09 2jke h LYS 210 Ca 0.20 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 2jke h LYS 210 Cb 0.12 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2jke h LYS 210 CO -0.15 0.33 -0.21 0.93 -2.27 0.00 0.00 179.45 178.08 2jke h GLU 211 N 0.52 0.00 0.00 1.90 4.39 -1.82 -3.07 114.58 116.50 2jke h GLU 211 Ca 0.20 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.82 2jke h GLU 211 Cb 0.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2jke h GLU 211 CO -0.11 0.21 -0.37 0.00 -1.16 0.00 0.00 179.01 177.58 2jke h ALA 212 N 1.79 1.01 -1.60 3.43 0.00 -0.35 -3.39 119.26 120.15 2jke h ALA 212 Ca -0.00 -0.34 -0.62 0.00 0.00 0.00 0.00 54.91 53.95 2jke h ALA 212 Cb 0.93 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.52 2jke h ALA 212 CO 0.03 0.46 0.79 0.42 0.00 0.00 0.00 179.25 180.95 2jke s ILE 213 N -3.64 4.25 0.45 0.00 1.01 -0.77 -4.80 121.20 117.71 2jke s ILE 213 Ca -0.00 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.16 2jke s ILE 213 Cb 0.11 -4.78 0.00 0.00 0.01 0.00 0.00 42.46 37.80 2jke s ILE 213 CO 0.69 -1.59 0.66 0.42 0.00 0.00 0.00 174.94 175.12 2jke s THR 214 N 4.19 3.83 0.41 2.92 -4.23 -1.26 -4.99 115.64 116.50 2jke s THR 214 Ca 0.29 -0.57 -0.26 0.00 -1.18 0.00 0.00 61.69 59.97 2jke s THR 214 Cb -0.11 -3.41 -0.08 0.00 1.34 0.00 0.00 72.50 70.23 2jke s THR 214 CO 0.05 -0.27 1.28 -2.84 -0.54 0.00 0.00 174.62 172.30 2jke s PRO 215 N -4.54 3.95 -0.07 3.99 0.02 -1.26 -5.03 135.00 132.05 2jke s PRO 215 Ca 0.49 2.11 -0.16 0.00 0.02 0.00 0.00 61.00 63.46 2jke s PRO 215 Cb -0.10 -2.72 0.03 0.00 0.02 0.00 0.00 34.50 31.73 2jke s PRO 215 CO 0.37 -0.49 0.39 1.21 -0.33 0.00 0.00 177.00 178.15 2jke s ASN 216 N -0.81 -0.33 0.40 2.53 3.84 -1.26 -5.04 114.94 114.26 2jke s ASN 216 Ca 0.57 0.45 0.29 0.00 0.21 0.00 0.00 52.86 54.38 2jke s ASN 216 Cb -0.37 0.55 1.24 0.00 -0.55 0.00 0.00 41.25 42.12 2jke s ASN 216 CO 0.47 -0.34 1.85 0.77 -2.79 0.00 0.00 177.10 177.07 2jke h SER 217 N 4.44 0.00 -2.74 -4.21 4.64 -2.00 -3.36 113.55 110.33 2jke h SER 217 Ca -0.28 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.66 2jke h SER 217 Cb 1.17 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.88 2jke h SER 217 CO 0.34 0.00 -0.68 -0.55 -0.87 0.00 0.00 176.83 175.07 2jke s SER 218 N -4.83 1.81 -0.14 4.97 0.15 -1.26 -4.48 113.70 109.91 2jke s SER 218 Ca 0.02 -0.41 -0.15 0.00 0.70 0.00 0.00 55.95 56.11 2jke s SER 218 Cb 0.09 0.11 0.04 0.00 -1.71 0.00 0.00 66.02 64.56 2jke s SER 218 CO 0.44 -0.34 0.42 0.00 1.20 0.00 0.00 173.24 174.96 2jke s GLN 219 N 2.25 0.53 -0.38 5.44 -2.07 -1.26 -3.82 119.66 120.35 2jke s GLN 219 Ca 0.05 0.51 0.02 0.00 -1.82 0.00 0.00 55.36 54.13 2jke s GLN 219 Cb -0.16 0.26 0.16 0.00 -1.09 0.00 0.00 33.01 32.17 2jke s GLN 219 CO -0.11 -0.08 0.31 0.99 -1.32 0.00 0.00 175.29 175.08 2jke s THR 220 N 0.05 0.03 0.70 3.63 2.01 -1.26 -4.94 115.64 115.86 2jke s THR 220 Ca -0.02 -1.80 -0.14 0.00 0.31 0.00 0.00 61.69 60.05 2jke s THR 220 Cb -0.03 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.50 2jke s THR 220 CO 0.01 -0.93 1.11 -2.84 -0.69 0.00 0.00 174.62 171.29 2jke s PRO 221 N 0.83 2.56 0.00 4.92 0.02 -1.26 -1.22 135.00 140.85 2jke s PRO 221 Ca 0.23 1.38 0.00 0.00 0.02 0.00 0.00 61.00 62.62 2jke s PRO 221 Cb -0.12 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.48 2jke s PRO 221 CO -0.06 -1.43 0.00 1.97 -0.33 0.00 0.00 177.00 177.14 2jke n PHE 222 N -2.76 0.00 -3.63 6.54 1.16 -1.22 -4.91 117.46 112.65 2jke n PHE 222 Ca 0.10 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.53 2jke n PHE 222 Cb 0.52 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.32 2jke n PHE 222 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2jke s SER 223 N -1.11 -0.54 0.03 5.98 0.15 -1.26 -4.98 113.70 111.98 2jke s SER 223 Ca 0.00 0.75 0.13 0.00 0.70 0.00 0.00 55.95 57.53 2jke s SER 223 Cb 0.00 0.74 0.55 0.00 -1.71 0.00 0.00 66.02 65.59 2jke s SER 223 CO 0.00 -0.42 1.40 1.67 1.20 0.00 0.00 173.24 177.09 2jke n GLN 224 N 1.69 0.02 -0.81 5.44 7.27 -1.26 -2.42 117.38 127.31 2jke n GLN 224 Ca -0.18 0.33 0.05 0.00 0.07 0.00 0.00 57.00 57.27 2jke n GLN 224 Cb 0.56 -1.55 0.09 0.00 2.41 0.00 0.00 30.24 31.76 2jke n GLN 224 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2jke n THR 225 N -1.59 0.97 -3.53 1.69 -2.24 -1.26 -3.99 114.28 104.32 2jke n THR 225 Ca 0.03 -1.69 -0.38 0.00 -2.27 0.00 0.00 64.05 59.74 2jke n THR 225 Cb 0.14 0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.64 2jke n THR 225 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jke s GLY 226 N -2.33 2.40 0.14 3.38 0.00 -1.02 -1.03 107.32 108.88 2jke s GLY 226 Ca 0.28 -0.30 0.03 0.00 0.00 0.00 0.00 44.72 44.74 2jke s GLY 226 CO -0.08 0.17 -0.07 -1.34 0.00 0.00 0.00 173.10 171.79 2jke s VAL 227 N -0.73 0.94 0.62 1.40 -7.23 0.02 -0.35 120.40 115.07 2jke s VAL 227 Ca 0.22 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.35 2jke s VAL 227 Cb -0.16 -1.89 0.04 0.00 0.56 0.00 0.00 36.38 34.94 2jke s VAL 227 CO 0.11 -0.70 0.89 -1.10 -0.31 0.00 0.00 175.10 173.98 2jke s GLN 228 N -3.81 2.42 0.21 4.82 -0.21 -0.80 -1.18 119.66 121.10 2jke s GLN 228 Ca 0.17 -0.48 0.09 0.00 0.02 0.00 0.00 55.36 55.16 2jke s GLN 228 Cb 0.04 -2.33 -0.04 0.00 1.00 0.00 0.00 33.01 31.68 2jke s GLN 228 CO 0.00 -0.94 -0.07 0.95 -2.12 0.00 0.00 175.29 173.11 2jke s THR 229 N -2.99 3.25 0.12 -0.19 -4.23 -1.26 -3.86 115.64 106.47 2jke s THR 229 Ca 0.58 -1.74 -0.30 0.00 -1.18 0.00 0.00 61.69 59.05 2jke s THR 229 Cb -0.11 -2.65 -0.07 0.00 1.34 0.00 0.00 72.50 71.02 2jke s THR 229 CO 0.42 -0.19 1.21 0.00 -0.54 0.00 0.00 174.62 175.52 2jke s ALA 230 N -1.89 3.43 -0.17 3.99 0.00 -1.26 -4.96 121.76 120.89 2jke s ALA 230 Ca 0.27 0.91 -0.13 0.00 0.00 0.00 0.00 51.96 53.01 2jke s ALA 230 Cb -0.08 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 2jke s ALA 230 CO 0.16 -0.42 0.24 -1.17 0.00 0.00 0.00 175.76 174.58 2jke s LEU 231 N 0.54 4.23 -0.07 0.00 2.96 -0.04 -4.64 118.68 121.66 2jke s LEU 231 Ca 0.57 0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.91 2jke s LEU 231 Cb -0.31 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.06 2jke s LEU 231 CO 0.32 0.12 -0.09 -0.32 -1.32 0.00 0.00 176.35 175.06 2jke s MET 232 N 0.45 2.77 0.06 1.98 -2.45 -1.23 -1.16 119.30 119.71 2jke s MET 232 Ca 0.14 -0.60 0.03 0.00 -1.25 0.00 0.00 55.69 54.01 2jke s MET 232 Cb -0.12 -2.55 -0.03 0.00 1.25 0.00 0.00 34.83 33.38 2jke s MET 232 CO 0.02 0.60 -0.09 -1.64 1.05 0.00 0.00 175.02 174.95 2jke s MET 233 N -0.63 0.63 -0.10 4.11 -1.94 0.22 -0.73 119.30 120.86 2jke s MET 233 Ca 0.09 -0.87 0.02 0.00 -1.71 0.00 0.00 55.69 53.23 2jke s MET 233 Cb -0.11 -0.41 0.01 0.00 2.01 0.00 0.00 34.83 36.33 2jke s MET 233 CO 0.02 0.07 -0.16 0.21 -0.01 0.00 0.00 175.02 175.15 2jke s LYS 234 N -1.86 2.27 0.30 2.03 2.20 0.19 -1.50 119.74 123.37 2jke s LYS 234 Ca -0.06 -0.59 0.02 0.00 -0.36 0.00 0.00 55.97 54.98 2jke s LYS 234 Cb -0.08 -1.86 -0.03 0.00 -1.51 0.00 0.00 37.83 34.34 2jke s LYS 234 CO 0.00 0.01 0.47 0.95 -0.36 0.00 0.00 175.35 176.41 2jke s THR 235 N 0.78 5.17 0.28 3.43 -4.23 0.07 -1.43 115.64 119.72 2jke s THR 235 Ca -0.11 -0.69 0.21 0.00 -1.18 0.00 0.00 61.69 59.92 2jke s THR 235 Cb -0.16 -3.86 0.19 0.00 1.34 0.00 0.00 72.50 70.01 2jke s THR 235 CO 0.02 -0.46 1.87 0.44 -0.54 0.00 0.00 174.62 175.94 2jke h ASP 236 N 0.94 0.00 -0.64 3.99 5.19 -1.91 -2.74 116.42 121.24 2jke h ASP 236 Ca -0.51 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 55.61 2jke h ASP 236 Cb 1.22 0.00 -0.17 0.00 0.18 0.00 0.00 39.33 40.56 2jke h ASP 236 CO 0.61 0.28 0.37 -0.90 -3.12 0.00 0.00 179.24 176.47 2jke n ASP 237 N -3.65 3.72 0.00 6.45 5.75 -1.26 -4.90 116.55 122.66 2jke n ASP 237 Ca -0.01 -3.04 0.00 0.00 -0.01 0.00 0.00 54.79 51.73 2jke n ASP 237 Cb 0.40 -0.72 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 2jke n ASP 237 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jke n GLY 238 N -0.43 0.56 3.90 6.12 0.00 -1.03 -5.06 105.19 109.25 2jke n GLY 238 Ca 0.38 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 2jke n GLY 238 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jke s LEU 239 N 0.00 4.17 -0.11 0.99 1.43 -1.26 -4.49 118.68 119.40 2jke s LEU 239 Ca 0.00 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 2jke s LEU 239 Cb 0.00 -2.74 -0.01 0.00 0.03 0.00 0.00 46.19 43.47 2jke s LEU 239 CO 0.00 0.03 -0.18 -0.31 0.23 0.00 0.00 176.35 176.13 2jke s TYR 240 N -1.80 2.69 -0.06 0.29 2.02 0.19 -0.75 117.35 119.94 2jke s TYR 240 Ca 0.33 -0.78 0.02 0.00 -0.37 0.00 0.00 57.07 56.28 2jke s TYR 240 Cb -0.10 -1.77 0.01 0.00 -0.40 0.00 0.00 41.96 39.70 2jke s TYR 240 CO 0.27 -0.27 -0.11 0.42 -1.57 0.00 0.00 175.55 174.29 2jke s ILE 241 N 0.27 1.00 -0.12 2.71 1.01 -0.56 -2.07 121.20 123.45 2jke s ILE 241 Ca -0.13 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.15 2jke s ILE 241 Cb -0.16 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.38 2jke s ILE 241 CO 0.07 0.33 -0.22 0.21 0.00 0.00 0.00 174.94 175.32 2jke s ASN 242 N 0.69 3.18 -0.17 3.58 3.84 0.88 -0.61 114.94 126.32 2jke s ASN 242 Ca -0.14 -0.56 -0.04 0.00 0.21 0.00 0.00 52.86 52.34 2jke s ASN 242 Cb -0.15 -1.44 -0.03 0.00 -0.55 0.00 0.00 41.25 39.08 2jke s ASN 242 CO 0.03 0.13 -0.03 -0.76 -2.79 0.00 0.00 177.10 173.68 2jke s LEU 243 N 0.53 3.23 0.00 3.21 1.43 -0.31 -0.92 118.68 125.85 2jke s LEU 243 Ca -0.14 -0.16 -0.00 0.00 -1.03 0.00 0.00 54.13 52.80 2jke s LEU 243 Cb -0.17 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.26 2jke s LEU 243 CO 0.05 0.14 0.02 1.57 0.23 0.00 0.00 176.35 178.35 2jke n HIS 244 N 3.76 -1.03 -4.13 0.29 -0.00 -0.74 -0.86 115.22 112.51 2jke n HIS 244 Ca -0.17 -0.04 -0.09 0.00 0.46 0.00 0.00 57.72 57.88 2jke n HIS 244 Cb 0.52 0.02 -0.10 0.00 -0.12 0.00 0.00 29.99 30.31 2jke n HIS 244 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 2jke s GLU 245 N -2.00 0.82 0.00 1.57 -1.05 -1.26 -1.15 118.70 115.63 2jke s GLU 245 Ca 0.00 -1.36 0.01 0.00 -0.15 0.00 0.00 54.97 53.47 2jke s GLU 245 Cb -0.00 0.21 -0.01 0.00 -0.44 0.00 0.00 34.13 33.89 2jke s GLU 245 CO 0.00 -0.20 -0.04 0.00 0.95 0.00 0.00 175.26 175.97 2jke s ALA 246 N -3.99 0.36 -0.78 -0.84 0.00 -0.39 -4.76 121.76 111.36 2jke s ALA 246 Ca 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.85 2jke s ALA 246 Cb 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 2jke s ALA 246 CO -0.02 0.05 0.66 0.00 0.00 0.00 0.00 175.76 176.45 2jke n ALA 247 N 2.69 -1.51 -2.32 0.00 0.00 -0.20 -1.14 120.51 118.02 2jke n ALA 247 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.95 2jke n ALA 247 Cb 0.58 -2.50 -0.04 0.00 0.00 0.00 0.00 19.45 17.49 2jke n ALA 247 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2jke s LEU 248 N -4.85 3.36 -0.01 0.00 2.96 -1.26 -4.43 118.68 114.45 2jke s LEU 248 Ca 0.10 -1.23 0.01 0.00 -0.22 0.00 0.00 54.13 52.79 2jke s LEU 248 Cb -0.01 -2.57 0.01 0.00 0.50 0.00 0.00 46.19 44.12 2jke s LEU 248 CO 0.50 -2.09 -0.04 0.68 -1.32 0.00 0.00 176.35 174.08 2jke s VAL 249 N 7.40 0.36 -1.38 1.68 -7.23 -1.26 -4.83 120.40 115.13 2jke s VAL 249 Ca 0.58 -0.14 -0.08 0.00 -1.81 0.00 0.00 61.98 60.54 2jke s VAL 249 Cb -0.02 -0.34 0.03 0.00 0.56 0.00 0.00 36.38 36.61 2jke s VAL 249 CO -0.03 0.13 1.01 0.47 -0.31 0.00 0.00 175.10 176.36 2jke n ASP 250 N 3.33 -4.26 -3.50 4.85 8.00 -1.26 -4.80 116.55 118.92 2jke n ASP 250 Ca -0.17 -0.68 -0.09 0.00 0.71 0.00 0.00 54.79 54.56 2jke n ASP 250 Cb 0.56 -4.50 -0.02 0.00 -0.02 0.00 0.00 41.12 37.13 2jke n ASP 250 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2jke s TYR 251 N -3.38 -0.36 0.28 1.24 5.04 -1.26 -4.95 117.35 113.95 2jke s TYR 251 Ca 0.42 0.23 -0.19 0.00 -2.44 0.00 0.00 57.07 55.09 2jke s TYR 251 Cb -0.20 0.54 -0.09 0.00 0.35 0.00 0.00 41.96 42.56 2jke s TYR 251 CO 0.78 -0.56 0.76 0.45 -1.34 0.00 0.00 175.55 175.64 2jke s SER 252 N -2.47 6.98 0.29 4.32 0.15 -1.26 -4.13 113.70 117.58 2jke s SER 252 Ca 0.04 1.42 -0.30 0.00 0.70 0.00 0.00 55.95 57.82 2jke s SER 252 Cb -0.01 -2.43 -0.11 0.00 -1.71 0.00 0.00 66.02 61.76 2jke s SER 252 CO -0.09 -0.08 1.57 0.00 1.20 0.00 0.00 173.24 175.84 2jke s MET 254 N -0.54 4.37 0.53 0.00 1.75 -1.26 -1.86 119.30 122.29 2jke s MET 254 Ca 0.62 0.60 0.03 0.00 -1.25 0.00 0.00 55.69 55.70 2jke s MET 254 Cb -0.47 -3.44 0.03 0.00 2.84 0.00 0.00 34.83 33.79 2jke s MET 254 CO 0.48 0.13 0.25 0.72 -0.65 0.00 0.00 175.02 175.95 2jke n HIS 255 N 3.68 0.06 -4.87 4.11 8.25 -0.14 -4.47 115.22 121.84 2jke n HIS 255 Ca -0.05 -2.36 -0.26 0.00 -0.26 0.00 0.00 57.72 54.79 2jke n HIS 255 Cb 0.51 -0.40 -0.16 0.00 1.12 0.00 0.00 29.99 31.07 2jke n HIS 255 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2jke s LEU 256 N 0.00 1.97 -0.13 2.41 1.43 -0.33 -0.80 118.68 123.23 2jke s LEU 256 Ca 0.19 -0.35 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 2jke s LEU 256 Cb -0.02 -0.97 -0.02 0.00 0.03 0.00 0.00 46.19 45.22 2jke s LEU 256 CO 0.12 0.19 -0.13 0.21 0.23 0.00 0.00 176.35 176.97 2jke s ASN 257 N -0.17 4.04 -0.20 2.29 2.47 -0.09 -0.80 114.94 122.48 2jke s ASN 257 Ca 0.01 -0.32 -0.15 0.00 0.42 0.00 0.00 52.86 52.82 2jke s ASN 257 Cb -0.10 -1.62 -0.04 0.00 -1.45 0.00 0.00 41.25 38.04 2jke s ASN 257 CO 0.01 0.16 0.35 -0.22 -3.72 0.00 0.00 177.10 173.68 2jke s LEU 258 N 0.36 4.16 -0.60 3.21 2.96 -0.19 -1.02 118.68 127.56 2jke s LEU 258 Ca -0.11 0.46 -0.26 0.00 -0.22 0.00 0.00 54.13 54.00 2jke s LEU 258 Cb -0.16 -2.43 0.04 0.00 0.50 0.00 0.00 46.19 44.14 2jke s LEU 258 CO 0.05 -0.03 1.08 -0.62 -1.32 0.00 0.00 176.35 175.52 2jke s ASP 259 N 0.96 6.34 -0.00 3.68 -1.08 0.09 -4.79 116.67 121.87 2jke s ASP 259 Ca 0.17 -0.25 0.12 0.00 -0.52 0.00 0.00 52.55 52.08 2jke s ASP 259 Cb -0.14 -2.50 0.35 0.00 -1.46 0.00 0.00 42.92 39.17 2jke s ASP 259 CO 0.07 -1.42 1.29 -0.90 0.52 0.00 0.00 175.17 174.73 2jke n ASP 260 N 8.11 2.15 -0.10 -0.34 5.75 -1.26 -0.82 116.55 130.04 2jke n ASP 260 Ca 0.04 -2.01 -0.23 0.00 -0.01 0.00 0.00 54.79 52.59 2jke n ASP 260 Cb 0.48 -0.27 -0.12 0.00 -1.03 0.00 0.00 41.12 40.18 2jke n ASP 260 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2jke n LYS 261 N 0.66 0.59 0.00 0.11 0.00 -1.26 -4.50 118.16 113.76 2jke n LYS 261 Ca 0.13 0.51 0.13 0.00 0.00 0.00 0.00 58.31 59.08 2jke n LYS 261 Cb 0.34 -1.71 0.27 0.00 0.00 0.00 0.00 35.03 33.93 2jke n LYS 261 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2jke n ASN 262 N -4.31 1.65 -3.67 3.14 3.02 -1.21 -4.97 115.26 108.92 2jke n ASN 262 Ca -0.35 -1.33 -0.24 0.00 -0.03 0.00 0.00 54.58 52.64 2jke n ASN 262 Cb 0.74 0.18 0.03 0.00 -0.61 0.00 0.00 39.78 40.13 2jke n ASN 262 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2jke n MET 263 N -0.05 -3.45 -4.43 3.52 2.81 0.00 -4.72 117.12 110.81 2jke n MET 263 Ca 0.13 0.58 -0.32 0.00 -1.81 0.00 0.00 57.70 56.28 2jke n MET 263 Cb 0.41 -4.91 -0.16 0.00 -0.71 0.00 0.00 33.22 27.85 2jke n MET 263 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2jke s VAL 264 N -3.61 2.02 0.23 2.03 1.01 -0.89 -0.67 120.40 120.51 2jke s VAL 264 Ca 0.18 -0.94 -0.20 0.00 0.00 0.00 0.00 61.98 61.02 2jke s VAL 264 Cb -0.05 -1.80 -0.08 0.00 0.00 0.00 0.00 36.38 34.44 2jke s VAL 264 CO 0.82 0.54 0.74 -0.36 0.00 0.00 0.00 175.10 176.84 2jke s PHE 265 N 1.03 3.65 0.00 5.22 0.08 -0.53 -0.73 117.98 126.70 2jke s PHE 265 Ca -0.02 1.42 0.02 0.00 0.12 0.00 0.00 56.93 58.47 2jke s PHE 265 Cb -0.14 -2.64 -0.01 0.00 -0.57 0.00 0.00 43.02 39.66 2jke s PHE 265 CO -0.07 0.33 -0.07 -2.00 -0.10 0.00 0.00 175.22 173.31 2jke s GLU 266 N -1.99 0.53 0.19 0.44 2.12 -0.19 -0.33 118.70 119.47 2jke s GLU 266 Ca 0.44 -0.28 -0.33 0.00 0.36 0.00 0.00 54.97 55.16 2jke s GLU 266 Cb -0.17 -0.49 -0.15 0.00 0.26 0.00 0.00 34.13 33.58 2jke s GLU 266 CO 0.21 0.13 1.26 -1.13 -0.54 0.00 0.00 175.26 175.19 2jke n SER 267 N 2.78 1.84 -3.67 -1.70 3.41 -0.04 -0.91 113.62 115.33 2jke n SER 267 Ca -0.14 1.14 -0.28 0.00 -0.26 0.00 0.00 58.87 59.33 2jke n SER 267 Cb 0.57 -1.29 -0.16 0.00 -0.26 0.00 0.00 64.21 63.08 2jke n SER 267 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2jke s TRP 268 N -0.09 0.74 0.68 7.33 -0.11 0.02 -4.63 118.94 122.88 2jke s TRP 268 Ca 0.72 -0.80 -0.09 0.00 1.22 0.00 0.00 56.10 57.16 2jke s TRP 268 Cb -0.79 -0.98 0.03 0.00 -1.50 0.00 0.00 33.47 30.23 2jke s TRP 268 CO 0.51 -0.65 1.03 -0.51 -4.62 0.00 0.00 176.95 172.71 2jke s LEU 269 N 1.95 2.93 -0.15 5.86 1.43 -1.26 -0.96 118.68 128.48 2jke s LEU 269 Ca 0.03 0.80 -0.20 0.00 -1.03 0.00 0.00 54.13 53.73 2jke s LEU 269 Cb -0.17 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 2jke s LEU 269 CO -0.15 -1.39 0.58 -0.89 0.23 0.00 0.00 176.35 174.73 2jke s THR 270 N -3.25 5.09 0.53 5.49 2.01 -0.78 -4.89 115.64 119.85 2jke s THR 270 Ca 0.58 1.13 -0.16 0.00 0.31 0.00 0.00 61.69 63.54 2jke s THR 270 Cb -0.11 -3.91 -0.07 0.00 0.01 0.00 0.00 72.50 68.43 2jke s THR 270 CO 0.48 0.21 1.00 -2.16 -0.69 0.00 0.00 174.62 173.46 2jke s PRO 271 N 1.26 3.84 0.21 4.92 0.04 -1.26 -4.58 135.00 139.43 2jke s PRO 271 Ca 0.29 0.96 -0.02 0.00 0.04 0.00 0.00 61.00 62.27 2jke s PRO 271 Cb -0.16 -2.12 0.05 0.00 0.04 0.00 0.00 34.50 32.31 2jke s PRO 271 CO 0.12 -0.37 0.28 -0.40 0.04 0.00 0.00 177.00 176.68 2jke n ASP 272 N -1.75 0.14 0.24 6.66 5.68 0.43 -4.55 116.55 123.40 2jke n ASP 272 Ca 0.07 -1.17 0.17 0.00 -0.50 0.00 0.00 54.79 53.35 2jke n ASP 272 Cb 0.54 -0.21 0.80 0.00 -1.14 0.00 0.00 41.12 41.11 2jke n ASP 272 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jke h ALA 273 N -1.39 1.00 -0.14 2.12 0.00 -1.89 -1.66 119.26 117.30 2jke h ALA 273 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jke h ALA 273 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2jke h ALA 273 CO 0.08 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.96 2jke n LYS 274 N -2.75 1.96 -0.20 0.00 5.02 -1.26 -4.97 118.16 115.96 2jke n LYS 274 Ca -0.01 -1.84 0.00 0.00 -2.02 0.00 0.00 58.31 54.45 2jke n LYS 274 Cb 0.16 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2jke n LYS 274 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jke n GLY 275 N 1.16 0.73 3.89 0.72 0.00 -0.63 -5.07 105.19 105.99 2jke n GLY 275 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2jke n GLY 275 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jke s ASP 276 N -2.87 5.95 -0.18 1.61 1.01 -1.26 -4.62 116.67 116.31 2jke s ASP 276 Ca 0.00 1.18 0.15 0.00 0.71 0.00 0.00 52.55 54.59 2jke s ASP 276 Cb 0.00 -2.20 0.44 0.00 1.01 0.00 0.00 42.92 42.17 2jke s ASP 276 CO 0.00 -0.97 1.19 0.29 0.21 0.00 0.00 175.17 175.89 2jke n LYS 277 N -2.72 1.69 0.00 8.23 5.02 0.15 -0.43 118.16 130.11 2jke n LYS 277 Ca 0.05 -3.22 0.00 0.00 -2.02 0.00 0.00 58.31 53.12 2jke n LYS 277 Cb 0.55 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 2jke n LYS 277 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jke n GLY 278 N -0.58 3.99 3.61 0.72 0.00 -1.24 -4.60 105.19 107.09 2jke n GLY 278 Ca 0.20 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 2jke n GLY 278 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jke s TYR 279 N 0.00 3.25 0.17 1.61 1.51 -1.26 -0.74 117.35 121.89 2jke s TYR 279 Ca 0.00 0.48 0.11 0.00 -1.01 0.00 0.00 57.07 56.66 2jke s TYR 279 Cb 0.00 -2.62 -0.04 0.00 -0.11 0.00 0.00 41.96 39.18 2jke s TYR 279 CO 0.00 -0.25 -0.25 -1.64 -1.11 0.00 0.00 175.55 172.30 2jke s MET 280 N 2.15 1.48 -0.09 -0.62 -1.94 0.09 -4.98 119.30 115.39 2jke s MET 280 Ca 0.17 -1.45 -0.04 0.00 -1.71 0.00 0.00 55.69 52.66 2jke s MET 280 Cb -0.16 -1.87 0.05 0.00 2.01 0.00 0.00 34.83 34.86 2jke s MET 280 CO 0.10 0.42 0.17 -1.14 -0.01 0.00 0.00 175.02 174.56 2jke s GLN 281 N -2.43 0.07 0.57 2.03 0.74 -1.26 -1.77 119.66 117.61 2jke s GLN 281 Ca 0.18 0.55 -0.17 0.00 0.05 0.00 0.00 55.36 55.97 2jke s GLN 281 Cb -0.09 -0.21 -0.05 0.00 1.10 0.00 0.00 33.01 33.76 2jke s GLN 281 CO 0.08 -0.27 1.06 0.95 -0.55 0.00 0.00 175.29 176.56 2jke s THR 282 N 2.03 3.75 0.18 -0.34 -4.23 0.05 -3.91 115.64 113.16 2jke s THR 282 Ca -0.00 0.90 -0.30 0.00 -1.18 0.00 0.00 61.69 61.11 2jke s THR 282 Cb -0.12 -3.38 -0.08 0.00 1.34 0.00 0.00 72.50 70.26 2jke s THR 282 CO -0.06 -0.42 1.19 -2.16 -0.54 0.00 0.00 174.62 172.63 2jke s PRO 283 N -3.83 4.50 0.22 3.99 0.04 -1.26 -4.74 135.00 133.91 2jke s PRO 283 Ca 0.65 1.86 -0.15 0.00 0.04 0.00 0.00 61.00 63.40 2jke s PRO 283 Cb -0.17 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.14 2jke s PRO 283 CO 0.32 -0.08 0.50 0.00 0.04 0.00 0.00 177.00 177.78 2jke s ASN 285 N -2.94 0.76 0.77 0.00 0.01 -1.26 -0.43 114.94 111.85 2jke s ASN 285 Ca 0.15 -0.64 -0.12 0.00 -0.71 0.00 0.00 52.86 51.54 2jke s ASN 285 Cb -0.01 0.07 0.05 0.00 0.41 0.00 0.00 41.25 41.77 2jke s ASN 285 CO 0.02 -0.29 1.12 0.42 -1.51 0.00 0.00 177.10 176.87 2jke s THR 286 N -1.90 2.92 0.95 1.60 -4.23 -0.05 -4.99 115.64 109.95 2jke s THR 286 Ca -0.07 0.30 -0.11 0.00 -1.18 0.00 0.00 61.69 60.63 2jke s THR 286 Cb -0.07 -3.20 0.16 0.00 1.34 0.00 0.00 72.50 70.73 2jke s THR 286 CO -0.01 -0.39 1.10 -2.84 -0.54 0.00 0.00 174.62 171.93 2jke s PRO 287 N -5.35 0.79 0.51 3.99 0.02 -1.26 -4.63 135.00 129.08 2jke s PRO 287 Ca 0.60 1.13 -0.20 0.00 0.02 0.00 0.00 61.00 62.55 2jke s PRO 287 Cb -0.12 -1.73 -0.07 0.00 0.02 0.00 0.00 34.50 32.60 2jke s PRO 287 CO 0.52 -2.65 1.11 -1.58 -0.33 0.00 0.00 177.00 174.06 2jke s TRP 288 N -2.72 2.80 -0.08 6.54 0.52 -0.29 -4.61 118.94 121.10 2jke s TRP 288 Ca 0.65 1.56 0.02 0.00 0.02 0.00 0.00 56.10 58.35 2jke s TRP 288 Cb -0.21 -3.23 -0.02 0.00 -1.15 0.00 0.00 33.47 28.85 2jke s TRP 288 CO 0.59 -1.34 -0.13 1.03 0.02 0.00 0.00 176.95 177.12 2jke s ARG 289 N -3.18 2.89 0.00 4.98 3.00 0.11 -1.26 118.95 125.49 2jke s ARG 289 Ca 0.70 -0.67 0.06 0.00 0.00 0.00 0.00 55.73 55.82 2jke s ARG 289 Cb -0.22 -2.51 -0.02 0.00 0.00 0.00 0.00 34.95 32.20 2jke s ARG 289 CO 0.26 0.46 -0.19 0.95 0.00 0.00 0.00 175.30 176.78 2jke s THR 290 N -0.30 1.52 -0.24 0.02 -4.23 -0.30 -1.17 115.64 110.93 2jke s THR 290 Ca 0.03 -0.91 0.01 0.00 -1.18 0.00 0.00 61.69 59.64 2jke s THR 290 Cb -0.13 -1.28 0.06 0.00 1.34 0.00 0.00 72.50 72.49 2jke s THR 290 CO 0.03 0.35 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.76 2jke s ILE 291 N -0.55 1.70 -0.18 2.99 1.01 0.73 -1.80 121.20 125.10 2jke s ILE 291 Ca 0.07 -1.33 -0.07 0.00 0.00 0.00 0.00 60.65 59.32 2jke s ILE 291 Cb -0.08 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 2jke s ILE 291 CO -0.00 -0.09 0.05 -0.63 0.00 0.00 0.00 174.94 174.28 2jke s ILE 292 N 1.32 4.68 -0.05 2.92 1.01 -0.10 -0.53 121.20 130.44 2jke s ILE 292 Ca -0.07 -0.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.42 2jke s ILE 292 Cb -0.19 -3.10 0.02 0.00 0.01 0.00 0.00 42.46 39.19 2jke s ILE 292 CO -0.06 0.46 0.22 0.54 0.00 0.00 0.00 174.94 176.10 2jke s VAL 293 N 0.42 0.03 0.15 2.92 0.11 -0.37 -0.08 120.40 123.58 2jke s VAL 293 Ca 0.02 -0.25 -0.24 0.00 -2.93 0.00 0.00 61.98 58.59 2jke s VAL 293 Cb -0.13 -0.40 0.06 0.00 -1.53 0.00 0.00 36.38 34.39 2jke s VAL 293 CO 0.01 -0.14 0.74 -0.55 -3.33 0.00 0.00 175.10 171.84 2jke s SER 294 N -0.48 -0.39 0.00 3.54 0.15 -0.88 -4.53 113.70 111.11 2jke s SER 294 Ca -0.06 -0.21 0.18 0.00 0.70 0.00 0.00 55.95 56.56 2jke s SER 294 Cb -0.04 0.57 0.50 0.00 -1.71 0.00 0.00 66.02 65.34 2jke s SER 294 CO 0.01 -0.98 1.41 -0.90 1.20 0.00 0.00 173.24 173.98 2jke n ASP 295 N -0.39 2.85 -3.79 5.45 5.68 -1.26 -0.63 116.55 124.46 2jke n ASP 295 Ca -0.10 -1.97 -0.26 0.00 -0.50 0.00 0.00 54.79 51.95 2jke n ASP 295 Cb 0.62 -0.33 -0.17 0.00 -1.14 0.00 0.00 41.12 40.10 2jke n ASP 295 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2jke s ASP 296 N -1.10 2.35 0.51 -1.12 -1.08 -1.26 -4.85 116.67 110.11 2jke s ASP 296 Ca 0.36 -0.48 0.17 0.00 -0.52 0.00 0.00 52.55 52.08 2jke s ASP 296 Cb 0.19 -0.62 1.25 0.00 -1.46 0.00 0.00 42.92 42.28 2jke s ASP 296 CO 0.26 -0.23 2.11 0.00 0.52 0.00 0.00 175.17 177.83 2jke h ALA 297 N 8.24 2.07 -0.50 3.66 0.00 -1.86 0.25 119.26 131.12 2jke h ALA 297 Ca -0.20 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.79 2jke h ALA 297 Cb 1.12 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2jke h ALA 297 CO 0.33 -0.11 0.34 0.00 0.00 0.00 0.00 179.25 179.81 2jke h ARG 298 N 0.06 0.29 0.00 0.00 3.08 -1.94 -1.72 114.38 114.16 2jke h ARG 298 Ca 0.07 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2jke h ARG 298 Cb 0.21 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2jke h ARG 298 CO -0.01 0.19 0.00 -0.91 -1.07 0.00 0.00 179.97 178.18 2jke h ASN 299 N 0.30 0.00 -0.34 7.04 2.35 -1.35 -1.86 115.58 121.72 2jke h ASN 299 Ca 0.23 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.93 2jke h ASN 299 Cb 0.52 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 2jke h ASN 299 CO -0.05 0.00 -0.00 0.40 -1.65 0.00 0.00 177.43 176.12 2jke h ILE 300 N 0.00 1.26 -0.22 2.81 1.08 -1.37 -2.43 117.51 118.64 2jke h ILE 300 Ca 0.00 -0.98 -0.08 0.00 -0.39 0.00 0.00 64.86 63.41 2jke h ILE 300 Cb 0.67 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.62 2jke h ILE 300 CO 0.00 0.32 -0.20 -0.07 -0.69 0.00 0.00 178.15 177.51 2jke h LEU 301 N 0.42 0.38 -0.42 1.44 3.38 -1.45 -2.66 115.31 116.40 2jke h LEU 301 Ca 0.10 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jke h LEU 301 Cb 0.46 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2jke h LEU 301 CO 0.02 0.60 0.00 0.00 0.09 0.00 0.00 178.44 179.14 2jke h ALA 302 N 1.44 1.00 -2.85 1.53 0.00 -1.25 -3.46 119.26 115.67 2jke h ALA 302 Ca 0.06 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.45 2jke h ALA 302 Cb 0.56 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.40 2jke h ALA 302 CO 0.04 0.00 0.58 0.45 0.00 0.00 0.00 179.25 180.32 2jke s SER 303 N -4.71 6.85 -0.17 0.00 0.15 -0.93 -4.90 113.70 109.99 2jke s SER 303 Ca 0.07 2.55 0.15 0.00 0.70 0.00 0.00 55.95 59.43 2jke s SER 303 Cb 0.10 -2.64 0.38 0.00 -1.71 0.00 0.00 66.02 62.15 2jke s SER 303 CO 0.52 -0.46 1.23 0.54 1.20 0.00 0.00 173.24 176.27 2jke n ARG 304 N 0.80 1.62 -0.14 5.44 5.12 -1.26 -4.76 116.66 123.48 2jke n ARG 304 Ca 0.00 -2.88 -0.04 0.00 -1.93 0.00 0.00 57.85 53.00 2jke n ARG 304 Cb 0.43 -1.61 0.05 0.00 -1.16 0.00 0.00 32.46 30.17 2jke n ARG 304 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2jke h ILE 305 N 0.60 0.87 0.06 0.55 2.04 -1.96 0.05 117.51 119.72 2jke h ILE 305 Ca 0.02 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.78 2jke h ILE 305 Cb 1.12 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 2jke h ILE 305 CO 0.06 0.06 -0.15 0.74 0.00 0.00 0.00 178.15 178.87 2jke h THR 306 N 0.34 0.65 -0.67 -0.27 2.02 -1.95 -1.44 112.91 111.60 2jke h THR 306 Ca 0.21 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.41 2jke h THR 306 Cb 0.20 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 2jke h THR 306 CO -0.21 0.00 0.43 -0.07 0.37 0.00 0.00 175.52 176.04 2jke h LEU 307 N -0.28 0.71 -2.07 2.58 3.38 -1.82 -2.78 115.31 115.03 2jke h LEU 307 Ca 0.03 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.04 2jke h LEU 307 Cb 0.31 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2jke h LEU 307 CO -0.10 0.50 0.12 0.78 0.09 0.00 0.00 178.44 179.84 2jke h ASN 308 N 0.85 0.00 0.01 -0.43 -0.26 -0.50 -1.78 115.58 113.48 2jke h ASN 308 Ca 0.26 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.00 2jke h ASN 308 Cb -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 2jke h ASN 308 CO -0.09 0.00 -0.01 0.18 -1.06 0.00 0.00 177.43 176.45 2jke n LEU 309 N -4.35 1.11 -4.90 1.61 4.77 -0.59 -4.87 117.00 109.79 2jke n LEU 309 Ca 0.01 -0.36 -0.29 0.00 -0.03 0.00 0.00 56.01 55.34 2jke n LEU 309 Cb 0.25 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 2jke n LEU 309 CO 0.33 0.19 0.27 0.20 -1.33 0.00 0.00 177.39 177.05 2jke s ASN 310 N -2.03 6.45 0.52 -1.43 0.01 -0.67 -4.77 114.94 113.01 2jke s ASN 310 Ca 0.39 0.81 -0.22 0.00 -0.71 0.00 0.00 52.86 53.14 2jke s ASN 310 Cb 0.21 -2.19 -0.06 0.00 0.41 0.00 0.00 41.25 39.63 2jke s ASN 310 CO 0.35 -0.27 1.26 -1.61 -1.51 0.00 0.00 177.10 175.32 2jke s GLU 311 N -3.73 3.35 0.87 -0.60 0.41 -1.26 -4.93 118.70 112.81 2jke s GLU 311 Ca 0.46 1.99 -0.10 0.00 -0.41 0.00 0.00 54.97 56.91 2jke s GLU 311 Cb -0.11 -2.26 0.12 0.00 -1.78 0.00 0.00 34.13 30.10 2jke s GLU 311 CO 0.31 -0.95 1.13 -2.14 -0.49 0.00 0.00 175.26 173.12 2jke s PRO 312 N -2.89 1.39 -0.03 0.39 0.02 -1.26 -3.24 135.00 129.38 2jke s PRO 312 Ca 0.69 1.43 -0.39 0.00 0.02 0.00 0.00 61.00 62.75 2jke s PRO 312 Cb -0.34 -1.78 -0.18 0.00 0.02 0.00 0.00 34.50 32.22 2jke s PRO 312 CO 0.40 -2.33 1.32 0.00 -0.33 0.00 0.00 177.00 176.06 2jke n LYS 314 N 2.62 1.69 -3.38 0.00 5.02 0.09 -4.81 118.16 119.40 2jke n LYS 314 Ca 0.21 -1.70 -0.45 0.00 -2.02 0.00 0.00 58.31 54.35 2jke n LYS 314 Cb 0.13 -1.35 -0.05 0.00 -0.02 0.00 0.00 35.03 33.74 2jke n LYS 314 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jke s ILE 315 N -1.35 5.10 0.39 -0.18 1.01 -1.26 -4.95 121.20 119.97 2jke s ILE 315 Ca 0.23 -1.94 0.09 0.00 0.00 0.00 0.00 60.65 59.03 2jke s ILE 315 Cb 0.15 -4.24 0.18 0.00 0.01 0.00 0.00 42.46 38.56 2jke s ILE 315 CO 0.22 -0.91 1.95 0.00 0.00 0.00 0.00 174.94 176.20 2jke h ALA 316 N 8.36 1.55 -0.55 9.38 0.00 -1.97 -1.91 119.26 134.11 2jke h ALA 316 Ca -0.14 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2jke h ALA 316 Cb 1.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2jke h ALA 316 CO 0.90 0.33 0.00 -0.40 0.00 0.00 0.00 179.25 180.08 2jke n ASP 317 N -4.32 5.52 -0.27 0.00 5.75 -1.26 -4.68 116.55 117.28 2jke n ASP 317 Ca -0.00 -2.91 0.06 0.00 -0.01 0.00 0.00 54.79 51.92 2jke n ASP 317 Cb 0.22 -0.67 0.20 0.00 -1.03 0.00 0.00 41.12 39.84 2jke n ASP 317 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jke h ALA 318 N 3.80 1.14 0.00 2.12 0.00 -1.77 -0.17 119.26 124.38 2jke h ALA 318 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2jke h ALA 318 Cb 1.90 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.74 2jke h ALA 318 CO 0.45 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.54 2jke h ALA 319 N 1.55 1.00 0.00 0.00 0.00 -1.85 0.50 119.26 120.46 2jke h ALA 319 Ca 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 2jke h ALA 319 Cb 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2jke h ALA 319 CO -0.38 0.00 -0.06 0.77 0.00 0.00 0.00 179.25 179.58 2jke h SER 320 N 0.00 0.00 0.00 0.00 0.02 -1.40 -3.41 113.55 108.77 2jke h SER 320 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jke h SER 320 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2jke h SER 320 CO 0.00 0.06 -0.24 -2.67 -1.14 0.00 0.00 176.83 172.84 2jke n TRP 321 N -3.12 0.00 -2.43 3.45 4.27 -0.83 -5.03 117.44 113.76 2jke n TRP 321 Ca 0.03 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.22 2jke n TRP 321 Cb 0.54 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.46 2jke n TRP 321 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 2jke s VAL 322 N -0.90 4.24 -0.03 -1.67 1.01 0.11 -5.01 120.40 118.14 2jke s VAL 322 Ca 0.00 1.53 -0.04 0.00 0.00 0.00 0.00 61.98 63.48 2jke s VAL 322 Cb 0.00 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.40 2jke s VAL 322 CO 0.00 -0.07 0.10 -0.54 0.00 0.00 0.00 175.10 174.59 2jke s LYS 323 N 2.86 0.18 0.82 2.72 1.02 -1.26 -4.79 119.74 121.28 2jke s LYS 323 Ca 0.56 0.02 -0.13 0.00 0.02 0.00 0.00 55.97 56.45 2jke s LYS 323 Cb -0.24 0.08 0.09 0.00 -0.52 0.00 0.00 37.83 37.24 2jke s LYS 323 CO 0.19 -0.03 1.19 -2.14 -0.92 0.00 0.00 175.35 173.64 2jke s PRO 324 N -0.23 1.60 -0.06 -1.68 0.02 -1.26 -5.03 135.00 128.37 2jke s PRO 324 Ca -0.03 1.70 -0.01 0.00 0.02 0.00 0.00 61.00 62.68 2jke s PRO 324 Cb -0.02 -1.78 0.03 0.00 0.02 0.00 0.00 34.50 32.75 2jke s PRO 324 CO 0.00 -2.23 0.01 0.08 -0.33 0.00 0.00 177.00 174.53 2jke s VAL 325 N -2.24 0.25 -0.19 3.83 1.01 0.57 -5.01 120.40 118.62 2jke s VAL 325 Ca 0.72 0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.78 2jke s VAL 325 Cb -0.27 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 2jke s VAL 325 CO 0.51 0.22 0.06 -0.75 0.00 0.00 0.00 175.10 175.15 2jke s LYS 326 N 1.75 3.96 0.06 2.72 2.20 -1.26 -1.42 119.74 127.76 2jke s LYS 326 Ca 0.01 -0.35 -0.04 0.00 -0.36 0.00 0.00 55.97 55.23 2jke s LYS 326 Cb -0.13 -3.22 -0.02 0.00 -1.51 0.00 0.00 37.83 32.95 2jke s LYS 326 CO -0.04 0.25 0.05 1.52 -0.36 0.00 0.00 175.35 176.78 2jke s TYR 327 N 0.43 0.36 0.52 4.03 -0.85 -0.00 -0.92 117.35 120.92 2jke s TYR 327 Ca 0.03 -0.84 0.02 0.00 -0.52 0.00 0.00 57.07 55.75 2jke s TYR 327 Cb -0.13 -0.26 0.02 0.00 0.38 0.00 0.00 41.96 41.98 2jke s TYR 327 CO 0.00 -0.43 0.13 0.44 -1.52 0.00 0.00 175.55 174.18 2jke n ILE 328 N 0.16 0.00 -3.53 -3.49 -5.35 -1.00 -0.60 119.36 105.55 2jke n ILE 328 Ca -0.15 -2.30 -0.10 0.00 -0.27 0.00 0.00 62.75 59.93 2jke n ILE 328 Cb 0.61 0.31 -0.03 0.00 -1.74 0.00 0.00 39.64 38.79 2jke n ILE 328 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2jke s GLY 329 N -3.91 -0.41 -0.61 3.28 0.00 -1.26 -1.00 107.32 103.42 2jke s GLY 329 Ca 0.10 1.37 -0.28 0.00 0.00 0.00 0.00 44.72 45.91 2jke s GLY 329 CO 0.06 0.60 1.31 0.14 0.00 0.00 0.00 173.10 175.22 2jke s VAL 330 N -2.34 3.85 0.27 1.40 1.01 0.17 -4.41 120.40 120.34 2jke s VAL 330 Ca 0.02 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.69 2jke s VAL 330 Cb -0.01 -4.65 0.00 0.00 0.00 0.00 0.00 36.38 31.73 2jke s VAL 330 CO -0.04 -1.39 0.00 1.87 0.00 0.00 0.00 175.10 175.54 2jke n TRP 331 N 9.19 -3.62 0.06 5.22 -0.00 -1.26 -2.53 117.44 124.50 2jke n TRP 331 Ca 0.09 0.92 0.13 0.00 -0.00 0.00 0.00 57.50 58.64 2jke n TRP 331 Cb 0.49 2.47 0.61 0.00 -0.00 0.00 0.00 31.31 34.88 2jke n TRP 331 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 177.69 180.04 2jke h TRP 332 N 0.00 0.14 -0.68 5.87 -0.00 -1.77 0.41 115.95 119.91 2jke h TRP 332 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 58.89 59.04 2jke h TRP 332 Cb 0.00 -0.05 -0.12 0.00 -0.00 0.00 0.00 29.16 28.99 2jke h TRP 332 CO 0.00 0.07 -0.08 -0.44 -0.00 0.00 0.00 178.44 178.00 2jke h ASP 333 N 0.14 -0.46 0.52 2.65 5.19 -1.92 -0.79 116.42 121.76 2jke h ASP 333 Ca 0.17 0.19 -0.29 0.00 -0.62 0.00 0.00 57.03 56.47 2jke h ASP 333 Cb 0.50 0.36 -0.00 0.00 0.18 0.00 0.00 39.33 40.36 2jke h ASP 333 CO -0.02 -0.19 -1.43 0.24 -3.12 0.00 0.00 179.24 174.72 2jke h MET 334 N 0.06 0.25 -0.87 3.56 2.86 -0.41 -0.17 114.93 120.21 2jke h MET 334 Ca 0.35 -0.42 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 2jke h MET 334 Cb 0.57 0.16 -0.05 0.00 0.06 0.00 0.00 31.60 32.34 2jke h MET 334 CO -0.65 1.13 0.57 0.82 1.06 0.00 0.00 176.91 179.85 2jke h ILE 335 N 0.07 1.15 0.00 -1.22 1.08 -0.92 -2.73 117.51 114.93 2jke h ILE 335 Ca -0.20 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 2jke h ILE 335 Cb 2.00 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.71 2jke h ILE 335 CO 0.17 0.20 -0.44 0.71 -0.69 0.00 0.00 178.15 178.10 2jke h THR 336 N 1.09 0.00 0.00 -0.27 1.35 -1.18 -3.47 112.91 110.42 2jke h THR 336 Ca 0.34 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 2jke h THR 336 Cb 0.02 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 2jke h THR 336 CO -0.10 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.78 2jke n GLY 337 N 1.14 0.64 0.26 5.82 0.00 -0.89 -4.67 105.19 107.49 2jke n GLY 337 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 2jke n GLY 337 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jke h LYS 338 N 4.56 0.88 -5.15 1.61 3.64 -1.31 -3.46 116.57 117.35 2jke h LYS 338 Ca 0.00 -0.10 -0.64 0.00 -1.27 0.00 0.00 60.65 58.64 2jke h LYS 338 Cb 0.00 -0.18 -0.13 0.00 -0.41 0.00 0.00 32.23 31.51 2jke h LYS 338 CO 0.00 0.66 -0.51 0.20 -2.27 0.00 0.00 179.45 177.52 2jke s GLY 339 N -2.95 2.90 0.12 5.01 0.00 -0.42 -4.98 107.32 107.01 2jke s GLY 339 Ca -0.13 -0.65 0.10 0.00 0.00 0.00 0.00 44.72 44.04 2jke s GLY 339 CO 0.78 -2.08 -0.25 -0.45 0.00 0.00 0.00 173.10 171.09 2jke s SER 340 N -3.79 3.12 0.18 1.64 0.15 0.45 -4.17 113.70 111.28 2jke s SER 340 Ca 0.11 -0.73 0.05 0.00 0.70 0.00 0.00 55.95 56.08 2jke s SER 340 Cb 0.02 -0.20 0.04 0.00 -1.71 0.00 0.00 66.02 64.17 2jke s SER 340 CO 0.07 0.15 1.41 -0.50 1.20 0.00 0.00 173.24 175.57 2jke h TRP 341 N 3.95 0.19 -4.10 3.44 6.55 -1.90 -3.15 115.95 120.93 2jke h TRP 341 Ca -0.50 -0.10 -0.47 0.00 0.95 0.00 0.00 58.89 58.77 2jke h TRP 341 Cb 1.17 -0.02 0.03 0.00 -0.86 0.00 0.00 29.16 29.48 2jke h TRP 341 CO 0.60 0.90 0.38 0.00 -1.05 0.00 0.00 178.44 179.27 2jke s ALA 342 N -3.23 2.88 -0.02 1.49 0.00 -1.26 -4.56 121.76 117.05 2jke s ALA 342 Ca -0.02 0.51 0.02 0.00 0.00 0.00 0.00 51.96 52.47 2jke s ALA 342 Cb 0.11 -3.23 -0.26 0.00 0.00 0.00 0.00 23.12 19.74 2jke s ALA 342 CO 0.81 -0.34 0.75 -0.92 0.00 0.00 0.00 175.76 176.06 2jke h TYR 343 N 1.35 0.30 -3.97 0.00 3.20 -1.90 -3.40 116.97 112.55 2jke h TYR 343 Ca -0.49 -0.22 -0.24 0.00 3.14 0.00 0.00 58.73 60.93 2jke h TYR 343 Cb 1.21 -0.01 -0.20 0.00 1.54 0.00 0.00 36.73 39.27 2jke h TYR 343 CO 0.58 1.32 -0.72 -0.08 -1.64 0.00 0.00 178.16 177.62 2jke s THR 344 N -2.61 0.43 -1.54 1.81 -1.32 -1.26 -1.83 115.64 109.32 2jke s THR 344 Ca -0.09 -1.14 0.13 0.00 -1.21 0.00 0.00 61.69 59.38 2jke s THR 344 Cb 0.07 -0.65 0.18 0.00 -1.51 0.00 0.00 72.50 70.59 2jke s THR 344 CO 0.83 -0.48 1.03 0.47 -2.21 0.00 0.00 174.62 174.26 2jke n ASP 345 N 1.31 2.39 -0.06 8.08 8.00 -1.26 -4.70 116.55 130.32 2jke n ASP 345 Ca -0.22 -1.68 0.13 0.00 0.71 0.00 0.00 54.79 53.73 2jke n ASP 345 Cb 0.56 -0.08 0.45 0.00 -0.02 0.00 0.00 41.12 42.03 2jke n ASP 345 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2jke n GLU 346 N 0.75 0.27 -4.46 -1.24 0.28 -1.26 -4.87 120.64 110.11 2jke n GLU 346 Ca 0.10 -0.11 -0.35 0.00 -0.16 0.00 0.00 57.16 56.64 2jke n GLU 346 Cb 0.37 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.64 2jke n GLU 346 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2jke s LEU 347 N -2.81 3.44 0.11 -1.84 1.43 -1.26 -5.01 118.68 112.74 2jke s LEU 347 Ca 0.18 0.08 0.26 0.00 -1.03 0.00 0.00 54.13 53.62 2jke s LEU 347 Cb 0.19 -1.77 0.72 0.00 0.03 0.00 0.00 46.19 45.35 2jke s LEU 347 CO 0.58 0.37 1.62 0.41 0.23 0.00 0.00 176.35 179.56 2jke n THR 348 N 2.19 0.31 -3.77 5.49 -1.04 -1.26 -4.89 114.28 111.31 2jke n THR 348 Ca -0.18 -0.18 -0.04 0.00 -2.04 0.00 0.00 64.05 61.60 2jke n THR 348 Cb 0.53 -0.31 -0.02 0.00 -1.82 0.00 0.00 70.33 68.72 2jke n THR 348 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2jke s SER 349 N -3.90 -0.20 0.11 8.00 1.04 -1.26 -5.04 113.70 112.45 2jke s SER 349 Ca 0.10 -0.44 0.07 0.00 0.48 0.00 0.00 55.95 56.16 2jke s SER 349 Cb 0.15 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.77 2jke s SER 349 CO 0.63 -0.99 -0.16 0.68 0.98 0.00 0.00 173.24 174.38 2jke s VAL 350 N -3.42 1.46 -0.20 5.02 -7.23 -1.26 -5.07 120.40 109.69 2jke s VAL 350 Ca 0.12 -1.62 -0.00 0.00 -1.81 0.00 0.00 61.98 58.66 2jke s VAL 350 Cb -0.02 -1.49 0.05 0.00 0.56 0.00 0.00 36.38 35.48 2jke s VAL 350 CO 0.03 -0.28 -0.04 -0.54 -0.31 0.00 0.00 175.10 173.96 2jke s LYS 351 N -2.32 1.45 0.26 4.82 1.02 -1.26 -5.02 119.74 118.69 2jke s LYS 351 Ca 0.07 -0.75 -0.31 0.00 0.02 0.00 0.00 55.97 55.00 2jke s LYS 351 Cb -0.07 -2.33 -0.12 0.00 -0.52 0.00 0.00 37.83 34.79 2jke s LYS 351 CO 0.04 -0.54 1.61 1.28 -0.92 0.00 0.00 175.35 176.82 2jke n LEU 352 N 4.79 4.05 0.00 3.17 4.77 -1.26 -0.66 117.00 131.86 2jke n LEU 352 Ca -0.12 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.98 2jke n LEU 352 Cb 0.46 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 2jke n LEU 352 CO 0.17 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 2jke n GLY 353 N 2.75 1.20 1.03 -0.72 0.00 -1.26 -4.78 105.19 103.42 2jke n GLY 353 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 2jke n GLY 353 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jke n GLU 354 N -2.00 0.00 -1.66 1.61 1.02 -0.17 -5.02 120.64 114.42 2jke n GLU 354 Ca 0.00 0.00 -0.50 0.00 -0.02 0.00 0.00 57.16 56.64 2jke n GLU 354 Cb 0.00 -0.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.86 2jke n GLU 354 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2jke n THR 355 N -3.33 0.19 -3.46 2.62 -1.04 0.17 -4.93 114.28 104.48 2jke n THR 355 Ca -0.00 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.05 61.55 2jke n THR 355 Cb 0.17 -1.38 -0.07 0.00 -1.82 0.00 0.00 70.33 67.23 2jke n THR 355 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2jke s ASP 356 N 1.96 5.89 0.45 8.00 -1.08 -1.26 -4.93 116.67 125.71 2jke s ASP 356 Ca 0.87 -1.89 0.24 0.00 -0.52 0.00 0.00 52.55 51.25 2jke s ASP 356 Cb -0.82 -2.08 1.02 0.00 -1.46 0.00 0.00 42.92 39.57 2jke s ASP 356 CO 0.48 -0.75 1.87 1.88 0.52 0.00 0.00 175.17 179.17 2jke h TYR 357 N 8.58 0.00 0.00 -5.34 0.05 -1.96 -1.66 116.97 116.64 2jke h TYR 357 Ca -0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.54 2jke h TYR 357 Cb 1.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.82 2jke h TYR 357 CO 0.68 0.22 0.00 0.66 -1.05 0.00 0.00 178.16 178.66 2jke h SER 358 N 0.00 0.00 -0.61 3.88 4.64 -2.01 -0.89 113.55 118.56 2jke h SER 358 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jke h SER 358 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2jke h SER 358 CO 0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 2jke n LYS 359 N -2.47 3.05 -4.10 4.77 5.02 -0.62 -4.99 118.16 118.81 2jke n LYS 359 Ca -0.01 -2.60 -0.24 0.00 -2.02 0.00 0.00 58.31 53.44 2jke n LYS 359 Cb 0.09 -1.60 -0.05 0.00 -0.02 0.00 0.00 35.03 33.44 2jke n LYS 359 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2jke s THR 360 N -1.31 4.47 -0.18 -0.18 -4.23 -0.34 -5.08 115.64 108.79 2jke s THR 360 Ca 0.44 -1.26 -0.23 0.00 -1.18 0.00 0.00 61.69 59.45 2jke s THR 360 Cb 0.25 -3.35 -0.02 0.00 1.34 0.00 0.00 72.50 70.72 2jke s THR 360 CO 0.26 -0.24 0.74 -0.75 -0.54 0.00 0.00 174.62 174.09 2jke s LYS 361 N -3.52 4.26 0.41 3.99 2.47 -1.26 -5.03 119.74 121.05 2jke s LYS 361 Ca 0.32 0.84 -0.26 0.00 -1.56 0.00 0.00 55.97 55.31 2jke s LYS 361 Cb -0.09 -3.57 -0.10 0.00 -1.46 0.00 0.00 37.83 32.60 2jke s LYS 361 CO 0.24 -0.29 1.23 -2.30 0.16 0.00 0.00 175.35 174.40 2jke n PRO 362 N 5.14 1.87 0.00 4.03 -0.02 -1.26 -4.27 135.00 140.49 2jke n PRO 362 Ca 0.02 0.66 0.14 0.00 -2.02 0.00 0.00 63.50 62.30 2jke n PRO 362 Cb 0.49 -2.32 0.52 0.00 -0.02 0.00 0.00 33.50 32.18 2jke n PRO 362 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2jke n ASN 363 N 0.35 0.65 0.00 2.55 0.23 -0.76 -4.89 115.26 113.39 2jke n ASN 363 Ca 0.07 -0.65 0.00 0.00 -0.53 0.00 0.00 54.58 53.47 2jke n ASN 363 Cb 0.39 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 2jke n ASN 363 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jke n GLY 364 N 1.31 0.71 0.00 4.83 0.00 -1.26 -4.85 105.19 105.92 2jke n GLY 364 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2jke n GLY 364 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jke n LYS 365 N -2.29 1.08 -2.64 1.61 5.02 -1.26 -5.02 118.16 114.66 2jke n LYS 365 Ca 0.00 -0.96 -0.42 0.00 -2.02 0.00 0.00 58.31 54.91 2jke n LYS 365 Cb 0.02 -0.94 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 2jke n LYS 365 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2jke s HIS 366 N -0.49 2.55 0.11 2.13 2.46 -1.26 -0.41 115.29 120.37 2jke s HIS 366 Ca 0.00 0.15 0.21 0.00 0.47 0.00 0.00 55.06 55.89 2jke s HIS 366 Cb 0.00 -4.46 0.71 0.00 -0.13 0.00 0.00 32.58 28.70 2jke s HIS 366 CO 0.00 -1.68 1.74 0.77 -2.47 0.00 0.00 174.74 173.09 2jke h SER 367 N 9.64 0.00 -0.58 9.88 0.02 -1.87 -3.32 113.55 127.32 2jke h SER 367 Ca -0.26 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 59.98 2jke h SER 367 Cb 1.06 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.55 2jke h SER 367 CO 1.19 0.32 3.08 0.00 -1.14 0.00 0.00 176.83 180.28 2jke n ALA 368 N -2.25 6.94 -2.60 3.77 0.00 -1.26 -4.55 120.51 120.55 2jke n ALA 368 Ca 0.00 -3.85 -0.29 0.00 0.00 0.00 0.00 53.44 49.30 2jke n ALA 368 Cb 0.50 -3.11 -0.09 0.00 0.00 0.00 0.00 19.45 16.75 2jke n ALA 368 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jke s ASN 369 N 1.41 4.53 0.21 0.00 4.22 -1.25 -4.36 114.94 119.70 2jke s ASN 369 Ca 0.59 -0.36 -0.10 0.00 -2.14 0.00 0.00 52.86 50.85 2jke s ASN 369 Cb 0.17 -0.91 0.30 0.00 1.28 0.00 0.00 41.25 42.10 2jke s ASN 369 CO -0.07 0.17 1.69 0.74 -2.04 0.00 0.00 177.10 177.58 2jke h THR 370 N 3.10 0.59 -0.62 0.54 2.02 -1.27 -0.32 112.91 116.94 2jke h THR 370 Ca -0.48 -0.07 -0.08 0.00 0.77 0.00 0.00 66.41 66.55 2jke h THR 370 Cb 1.17 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 2jke h THR 370 CO 0.54 0.04 0.08 0.00 0.37 0.00 0.00 175.52 176.55 2jke h ALA 371 N 1.51 0.83 -0.29 6.16 0.00 -1.96 -0.47 119.26 125.04 2jke h ALA 371 Ca 0.32 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2jke h ALA 371 Cb 0.50 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2jke h ALA 371 CO -0.45 0.60 -0.03 -0.97 0.00 0.00 0.00 179.25 178.40 2jke h ASN 372 N 0.95 0.53 -0.86 0.00 -1.24 -1.64 -2.47 115.58 110.84 2jke h ASN 372 Ca 0.19 -0.34 0.08 0.00 0.71 0.00 0.00 56.30 56.93 2jke h ASN 372 Cb 0.46 -0.14 -0.07 0.00 0.73 0.00 0.00 38.32 39.30 2jke h ASN 372 CO 0.02 0.74 0.53 0.58 -1.29 0.00 0.00 177.43 178.00 2jke h VAL 373 N 0.30 0.99 -0.60 2.57 2.07 -0.86 -1.86 116.25 118.85 2jke h VAL 373 Ca 0.08 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 2jke h VAL 373 Cb 0.49 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 2jke h VAL 373 CO 0.02 0.17 0.28 0.11 0.02 0.00 0.00 177.57 178.17 2jke h LYS 374 N 0.92 0.86 -0.56 1.57 1.57 -0.90 -0.47 116.57 119.56 2jke h LYS 374 Ca 0.39 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.99 2jke h LYS 374 Cb 0.26 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2jke h LYS 374 CO -0.20 0.67 0.06 0.00 -0.57 0.00 0.00 179.45 179.41 2jke h ARG 375 N 0.85 0.91 -0.29 3.15 3.08 -0.89 0.62 114.38 121.81 2jke h ARG 375 Ca 0.21 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 2jke h ARG 375 Cb 0.10 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2jke h ARG 375 CO -0.03 0.86 0.06 1.88 -1.07 0.00 0.00 179.97 181.67 2jke h TYR 376 N 0.85 0.51 -0.64 3.04 -1.99 -0.82 -2.34 116.97 115.57 2jke h TYR 376 Ca 0.17 -0.07 0.09 0.00 2.00 0.00 0.00 58.73 60.92 2jke h TYR 376 Cb 0.42 -0.14 -0.07 0.00 2.00 0.00 0.00 36.73 38.93 2jke h TYR 376 CO 0.03 0.56 0.28 0.82 -0.00 0.00 0.00 178.16 179.84 2jke h ILE 377 N 0.31 0.81 -0.35 -2.88 2.04 -0.72 0.13 117.51 116.85 2jke h ILE 377 Ca 0.09 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.86 2jke h ILE 377 Cb 0.32 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 2jke h ILE 377 CO 0.00 0.09 -0.10 0.44 0.00 0.00 0.00 178.15 178.58 2jke h ASP 378 N 0.49 -0.37 -0.33 1.72 3.32 -0.69 -0.64 116.42 119.91 2jke h ASP 378 Ca 0.32 0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.42 2jke h ASP 378 Cb 0.36 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 2jke h ASP 378 CO -0.28 -0.13 -0.01 0.15 -1.72 0.00 0.00 179.24 177.24 2jke h PHE 379 N -0.03 0.64 -0.50 4.55 3.57 -0.92 -1.47 116.94 122.79 2jke h PHE 379 Ca 0.17 -0.12 0.05 0.00 3.53 0.00 0.00 57.97 61.60 2jke h PHE 379 Cb 0.28 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 2jke h PHE 379 CO -0.33 0.71 0.25 0.00 -2.23 0.00 0.00 178.31 176.71 2jke h ALA 380 N 0.84 0.64 -0.49 2.41 0.00 -0.52 -1.99 119.26 120.15 2jke h ALA 380 Ca 0.09 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2jke h ALA 380 Cb 0.47 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2jke h ALA 380 CO 0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 179.25 179.11 2jke h ALA 381 N 1.27 0.67 -0.44 0.00 0.00 -1.00 -0.52 119.26 119.25 2jke h ALA 381 Ca 0.22 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2jke h ALA 381 Cb 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2jke h ALA 381 CO -0.16 0.53 0.13 0.00 0.00 0.00 0.00 179.25 179.75 2jke h ALA 382 N 0.91 1.41 -0.52 0.00 0.00 -0.96 -3.08 119.26 117.02 2jke h ALA 382 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jke h ALA 382 Cb 0.59 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2jke h ALA 382 CO 0.04 0.44 0.00 0.72 0.00 0.00 0.00 179.25 180.44 2jke n HIS 383 N -4.33 0.80 -0.85 0.00 -0.00 -0.78 -4.98 115.22 105.08 2jke n HIS 383 Ca 0.03 -0.53 0.00 0.00 -0.00 0.00 0.00 57.72 57.22 2jke n HIS 383 Cb 0.18 -0.06 0.00 0.00 -0.00 0.00 0.00 29.99 30.12 2jke n HIS 383 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2jke n GLY 384 N 0.96 0.48 3.82 -1.41 0.00 -0.83 -4.83 105.19 103.36 2jke n GLY 384 Ca 0.19 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 2jke n GLY 384 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jke s PHE 385 N -2.00 3.10 -0.04 1.61 0.08 -0.26 -5.01 117.98 115.45 2jke s PHE 385 Ca 0.00 1.45 0.12 0.00 0.12 0.00 0.00 56.93 58.61 2jke s PHE 385 Cb 0.00 -2.91 -0.23 0.00 -0.57 0.00 0.00 43.02 39.31 2jke s PHE 385 CO 0.00 -1.16 0.66 -0.25 -0.10 0.00 0.00 175.22 174.38 2jke n ASP 386 N -2.76 0.93 -3.75 1.36 8.00 -0.09 -4.68 116.55 115.56 2jke n ASP 386 Ca 0.08 0.42 -0.10 0.00 0.71 0.00 0.00 54.79 55.90 2jke n ASP 386 Cb 0.53 -0.11 -0.05 0.00 -0.02 0.00 0.00 41.12 41.48 2jke n ASP 386 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jke s ALA 387 N -2.60 -0.78 -0.09 2.24 0.00 -1.09 -1.42 121.76 118.02 2jke s ALA 387 Ca -0.05 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.63 2jke s ALA 387 Cb 0.08 0.81 0.02 0.00 0.00 0.00 0.00 23.12 24.03 2jke s ALA 387 CO 0.82 -0.73 -0.07 0.08 0.00 0.00 0.00 175.76 175.86 2jke s VAL 388 N -3.87 0.90 0.17 0.00 1.01 -0.62 -2.38 120.40 115.60 2jke s VAL 388 Ca 0.09 -0.24 -0.24 0.00 0.00 0.00 0.00 61.98 61.58 2jke s VAL 388 Cb 0.01 -0.92 -0.08 0.00 0.00 0.00 0.00 36.38 35.39 2jke s VAL 388 CO -0.05 0.34 0.76 -0.22 0.00 0.00 0.00 175.10 175.93 2jke s LEU 389 N 1.49 4.55 -0.09 3.92 2.96 -0.17 -0.85 118.68 130.49 2jke s LEU 389 Ca -0.00 1.60 0.01 0.00 -0.22 0.00 0.00 54.13 55.52 2jke s LEU 389 Cb -0.13 -3.33 0.02 0.00 0.50 0.00 0.00 46.19 43.25 2jke s LEU 389 CO -0.05 0.18 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.39 2jke s VAL 390 N -1.21 1.02 0.06 1.68 1.01 -1.24 -0.65 120.40 121.07 2jke s VAL 390 Ca 0.37 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.05 2jke s VAL 390 Cb -0.22 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 2jke s VAL 390 CO 0.25 0.35 -0.01 -1.61 0.00 0.00 0.00 175.10 174.09 2jke s GLU 391 N 1.31 2.60 0.00 2.72 2.02 -1.05 -4.37 118.70 121.93 2jke s GLU 391 Ca -0.03 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.19 2jke s GLU 391 Cb -0.14 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.52 2jke s GLU 391 CO -0.04 0.57 0.00 0.41 0.02 0.00 0.00 175.26 176.22 2jke n GLY 392 N 0.86 0.64 0.14 -1.39 0.00 -1.26 -4.49 105.19 99.70 2jke n GLY 392 Ca -0.12 -0.66 0.03 0.00 0.00 0.00 0.00 46.02 45.27 2jke n GLY 392 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2jke h TRP 393 N 0.00 0.00 -3.20 1.61 5.08 -1.84 -3.44 115.95 114.15 2jke h TRP 393 Ca 0.00 0.00 -0.64 0.00 1.08 0.00 0.00 58.89 59.33 2jke h TRP 393 Cb 0.02 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 26.05 2jke h TRP 393 CO 0.00 0.46 -0.70 0.54 -1.28 0.00 0.00 178.44 177.45 2jke s ASN 394 N -6.29 4.53 0.29 0.11 4.22 -1.26 -1.03 114.94 115.51 2jke s ASN 394 Ca 0.03 -0.42 -0.29 0.00 -2.14 0.00 0.00 52.86 50.04 2jke s ASN 394 Cb 0.08 -0.89 -0.13 0.00 1.28 0.00 0.00 41.25 41.58 2jke s ASN 394 CO 0.75 0.13 1.16 -0.62 -2.04 0.00 0.00 177.10 176.49 2jke n GLU 395 N 0.28 1.69 0.00 3.55 1.02 0.27 -4.13 120.64 123.32 2jke n GLU 395 Ca -0.11 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 2jke n GLU 395 Cb 0.54 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 2jke n GLU 395 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jke n GLY 396 N 1.23 1.31 0.23 0.62 0.00 -1.26 -4.57 105.19 102.75 2jke n GLY 396 Ca 0.08 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.26 2jke n GLY 396 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2jke h TRP 397 N 0.00 0.00 -0.63 1.61 4.06 -1.86 -2.09 115.95 117.03 2jke h TRP 397 Ca 0.00 0.00 0.15 0.00 2.06 0.00 0.00 58.89 61.10 2jke h TRP 397 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.13 2jke h TRP 397 CO 0.00 0.00 0.43 0.93 -3.56 0.00 0.00 178.44 176.24 2jke h GLU 398 N 0.00 0.21 -0.25 0.49 3.07 -1.90 -2.90 114.58 113.30 2jke h GLU 398 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2jke h GLU 398 Cb 0.36 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 2jke h GLU 398 CO 0.00 0.14 0.00 -0.25 -1.40 0.00 0.00 179.01 177.50 2jke n ASP 399 N -4.43 3.22 0.27 1.42 9.92 -0.79 -4.81 116.55 121.36 2jke n ASP 399 Ca 0.12 -2.54 0.17 0.00 -0.53 0.00 0.00 54.79 52.01 2jke n ASP 399 Cb 0.55 -0.37 0.70 0.00 -0.64 0.00 0.00 41.12 41.36 2jke n ASP 399 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 2jke h TRP 400 N 1.58 0.00 -3.57 1.24 5.08 -1.59 -3.42 115.95 115.27 2jke h TRP 400 Ca 0.00 0.00 -0.68 0.00 1.08 0.00 0.00 58.89 59.29 2jke h TRP 400 Cb 1.05 0.00 -0.31 0.00 -3.00 0.00 0.00 29.16 26.90 2jke h TRP 400 CO 0.31 0.00 -0.71 0.12 -1.28 0.00 0.00 178.44 176.88 2jke s PHE 401 N -3.66 3.12 -0.10 0.12 5.36 -1.26 -4.75 117.98 116.81 2jke s PHE 401 Ca 0.01 -1.47 0.00 0.00 -0.96 0.00 0.00 56.93 54.51 2jke s PHE 401 Cb 0.09 -2.11 0.00 0.00 -0.34 0.00 0.00 43.02 40.66 2jke s PHE 401 CO 0.53 -0.71 0.00 0.41 -1.46 0.00 0.00 175.22 173.99 2jke n GLY 402 N 4.71 0.46 0.38 13.12 0.00 -1.26 -4.89 105.19 117.70 2jke n GLY 402 Ca -0.15 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 45.83 2jke n GLY 402 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jke n ASN 403 N 0.05 1.40 -4.02 1.61 5.03 -1.26 -4.94 115.26 113.13 2jke n ASN 403 Ca -0.01 -1.19 -0.29 0.00 0.87 0.00 0.00 54.58 53.96 2jke n ASN 403 Cb 0.12 0.15 -0.01 0.00 -1.02 0.00 0.00 39.78 39.02 2jke n ASN 403 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2jke n SER 404 N -0.25 -2.05 -4.69 6.41 2.88 -1.26 -4.91 113.62 109.75 2jke n SER 404 Ca 0.13 -0.96 -0.41 0.00 -1.33 0.00 0.00 58.87 56.31 2jke n SER 404 Cb 0.38 -3.17 -0.04 0.00 -0.75 0.00 0.00 64.21 60.63 2jke n SER 404 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2jke s LYS 405 N -6.64 4.37 -0.01 -1.46 2.20 -1.26 -5.00 119.74 111.94 2jke s LYS 405 Ca 0.34 0.96 -0.07 0.00 -0.36 0.00 0.00 55.97 56.84 2jke s LYS 405 Cb -0.18 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 2jke s LYS 405 CO 0.89 -0.13 0.56 0.22 -0.36 0.00 0.00 175.35 176.53 2jke h ASP 406 N 7.05 -0.21 -0.86 1.43 3.58 -1.97 -3.37 116.42 122.07 2jke h ASP 406 Ca -0.36 0.01 -0.74 0.00 0.42 0.00 0.00 57.03 56.36 2jke h ASP 406 Cb 1.17 0.05 -0.11 0.00 1.72 0.00 0.00 39.33 42.16 2jke h ASP 406 CO 0.79 -0.04 2.44 0.00 -2.88 0.00 0.00 179.24 179.54 2jke n TYR 407 N -3.25 3.15 -0.01 0.28 9.36 -1.26 -4.68 117.16 120.75 2jke n TYR 407 Ca -0.03 -2.86 -0.12 0.00 3.32 0.00 0.00 57.90 58.21 2jke n TYR 407 Cb 0.10 -2.17 -0.14 0.00 -0.63 0.00 0.00 39.34 36.49 2jke n TYR 407 CO 0.00 0.00 0.00 -0.24 0.22 0.00 0.00 176.86 176.84 2jke h VAL 408 N 3.83 0.83 -3.80 2.97 3.04 -1.92 -3.43 116.25 117.77 2jke h VAL 408 Ca 0.46 -2.64 -0.10 0.00 -1.01 0.00 0.00 66.70 63.41 2jke h VAL 408 Cb 0.63 2.46 -0.15 0.00 -2.01 0.00 0.00 31.29 32.22 2jke h VAL 408 CO 1.73 0.61 -0.42 -0.36 -1.01 0.00 0.00 177.57 178.11 2jke s PHE 409 N -2.59 0.17 -0.54 3.17 0.08 -1.26 -4.60 117.98 112.41 2jke s PHE 409 Ca -0.09 -0.55 0.06 0.00 0.12 0.00 0.00 56.93 56.47 2jke s PHE 409 Cb 0.08 -0.10 -0.00 0.00 -0.57 0.00 0.00 43.02 42.43 2jke s PHE 409 CO 0.81 -0.48 0.48 -0.40 -0.10 0.00 0.00 175.22 175.53 2jke n ASP 410 N 0.22 0.93 -0.06 1.36 5.68 -1.26 -4.94 116.55 118.48 2jke n ASP 410 Ca -0.16 -0.97 -0.01 0.00 -0.50 0.00 0.00 54.79 53.16 2jke n ASP 410 Cb 0.61 0.47 -0.00 0.00 -1.14 0.00 0.00 41.12 41.06 2jke n ASP 410 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2jke n PHE 411 N -0.34 0.00 0.00 2.11 3.72 -1.26 -4.72 117.46 116.97 2jke n PHE 411 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2jke n PHE 411 Cb 0.12 -1.34 0.00 0.00 -0.94 0.00 0.00 39.48 37.32 2jke n PHE 411 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2jke n VAL 412 N -2.38 0.00 -3.50 -4.37 0.24 -1.26 -4.82 118.33 102.24 2jke n VAL 412 Ca -0.01 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.89 2jke n VAL 412 Cb 0.33 0.02 -0.10 0.00 -1.47 0.00 0.00 33.84 32.61 2jke n VAL 412 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2jke s THR 413 N -0.15 5.26 0.55 3.34 2.01 -1.26 -5.05 115.64 120.33 2jke s THR 413 Ca 0.00 -0.14 -0.16 0.00 0.31 0.00 0.00 61.69 61.71 2jke s THR 413 Cb 0.00 -3.74 -0.06 0.00 0.01 0.00 0.00 72.50 68.71 2jke s THR 413 CO 0.00 -0.03 1.01 -2.16 -0.69 0.00 0.00 174.62 172.75 2jke s PRO 414 N 1.80 3.74 0.89 4.92 0.04 -1.26 -0.57 135.00 144.56 2jke s PRO 414 Ca 0.08 1.00 -0.11 0.00 0.04 0.00 0.00 61.00 62.01 2jke s PRO 414 Cb -0.17 -2.10 0.13 0.00 0.04 0.00 0.00 34.50 32.39 2jke s PRO 414 CO 0.11 -0.45 1.10 0.71 0.04 0.00 0.00 177.00 178.51 2jke s TYR 415 N -2.64 2.09 0.52 0.56 2.02 -0.19 -4.57 117.35 115.15 2jke s TYR 415 Ca 0.60 1.51 0.31 0.00 -0.37 0.00 0.00 57.07 59.12 2jke s TYR 415 Cb -0.12 -3.17 1.76 0.00 -0.40 0.00 0.00 41.96 40.03 2jke s TYR 415 CO 0.35 -2.47 2.20 -1.35 -1.57 0.00 0.00 175.55 172.71 2jke h PRO 416 N -1.62 0.00 -0.50 -1.71 0.11 -1.92 -2.46 132.00 123.90 2jke h PRO 416 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jke h PRO 416 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2jke h PRO 416 CO 0.49 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 177.92 2jke n ASP 417 N -3.66 3.03 -4.06 -2.05 5.75 -1.26 -4.77 116.55 109.52 2jke n ASP 417 Ca -0.02 -1.97 -0.32 0.00 -0.01 0.00 0.00 54.79 52.47 2jke n ASP 417 Cb 0.14 -0.33 -0.14 0.00 -1.03 0.00 0.00 41.12 39.76 2jke n ASP 417 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2jke s PHE 418 N -1.34 3.55 -0.80 2.11 5.36 -0.93 -0.73 117.98 125.21 2jke s PHE 418 Ca 0.38 -2.62 -0.18 0.00 -0.96 0.00 0.00 56.93 53.55 2jke s PHE 418 Cb 0.20 -2.59 0.13 0.00 -0.34 0.00 0.00 43.02 40.42 2jke s PHE 418 CO 0.28 -0.92 0.94 0.34 -1.46 0.00 0.00 175.22 174.40 2jke s ASP 419 N 1.11 6.48 0.15 6.13 -1.08 -1.26 -4.59 116.67 123.62 2jke s ASP 419 Ca 0.03 -1.87 -0.19 0.00 -0.52 0.00 0.00 52.55 50.01 2jke s ASP 419 Cb -0.20 -2.35 0.05 0.00 -1.46 0.00 0.00 42.92 38.97 2jke s ASP 419 CO -0.06 -1.04 1.67 0.58 0.52 0.00 0.00 175.17 176.84 2jke h VAL 420 N 5.70 0.61 -0.50 1.11 2.07 -1.97 -0.86 116.25 122.41 2jke h VAL 420 Ca -0.02 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 2jke h VAL 420 Cb 1.05 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2jke h VAL 420 CO 1.06 0.00 0.06 0.11 0.02 0.00 0.00 177.57 178.82 2jke h LYS 421 N -0.05 0.84 -0.56 1.57 1.57 -1.96 -0.28 116.57 117.69 2jke h LYS 421 Ca 0.16 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 2jke h LYS 421 Cb 0.29 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2jke h LYS 421 CO -0.36 0.84 -0.08 1.49 -0.57 0.00 0.00 179.45 180.78 2jke h GLU 422 N 0.71 1.05 -0.37 3.15 4.57 -1.91 -0.75 114.58 121.02 2jke h GLU 422 Ca 0.15 -0.37 -0.05 0.00 -1.18 0.00 0.00 59.36 57.91 2jke h GLU 422 Cb 0.42 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 2jke h GLU 422 CO 0.01 1.06 0.04 0.82 -1.18 0.00 0.00 179.01 179.77 2jke h ILE 423 N 0.94 1.25 0.06 2.32 2.04 -1.03 -0.89 117.51 122.19 2jke h ILE 423 Ca 0.15 -0.89 0.03 0.00 1.00 0.00 0.00 64.86 65.14 2jke h ILE 423 Cb 0.64 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 2jke h ILE 423 CO 0.04 0.30 -0.30 -0.74 0.00 0.00 0.00 178.15 177.46 2jke h HIS 424 N 0.45 -0.80 -0.75 1.37 2.76 -0.90 -0.42 115.15 116.86 2jke h HIS 424 Ca 0.11 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.31 2jke h HIS 424 Cb 0.39 0.35 -0.04 0.00 1.55 0.00 0.00 27.41 29.66 2jke h HIS 424 CO 0.03 -0.40 0.50 0.00 -1.30 0.00 0.00 177.93 176.76 2jke h ARG 425 N -0.48 0.99 -0.10 5.26 -0.00 -0.95 -0.12 114.38 118.97 2jke h ARG 425 Ca 0.05 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.98 59.45 2jke h ARG 425 Cb 0.54 -0.22 -0.00 0.00 0.00 0.00 0.00 29.97 30.28 2jke h ARG 425 CO -0.21 0.65 0.00 -0.92 0.00 0.00 0.00 179.97 179.49 2jke h TYR 426 N 1.02 0.20 -0.32 3.04 3.20 -1.07 -0.86 116.97 122.17 2jke h TYR 426 Ca 0.28 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.15 2jke h TYR 426 Cb -0.12 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.06 2jke h TYR 426 CO -0.02 0.43 0.09 0.00 -1.64 0.00 0.00 178.16 177.02 2jke h ALA 427 N 0.74 0.36 -0.71 1.82 0.00 -0.85 -1.12 119.26 119.49 2jke h ALA 427 Ca 0.03 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2jke h ALA 427 Cb 0.35 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2jke h ALA 427 CO 0.01 -0.31 0.27 0.00 0.00 0.00 0.00 179.25 179.21 2jke h ALA 428 N 1.22 1.13 -0.48 0.00 0.00 -0.92 0.10 119.26 120.31 2jke h ALA 428 Ca 0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2jke h ALA 428 Cb 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2jke h ALA 428 CO -0.17 0.62 0.11 -0.09 0.00 0.00 0.00 179.25 179.72 2jke h ARG 429 N 1.04 0.72 -0.00 0.00 2.43 -0.80 -2.07 114.38 115.70 2jke h ARG 429 Ca 0.24 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2jke h ARG 429 Cb 0.22 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2jke h ARG 429 CO -0.02 0.65 -0.06 1.63 -1.51 0.00 0.00 179.97 180.67 2jke n LYS 430 N -4.30 0.86 -0.93 0.20 4.76 -0.46 -4.91 118.16 113.39 2jke n LYS 430 Ca 0.03 -0.25 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 2jke n LYS 430 Cb 0.21 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 2jke n LYS 430 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jke n GLY 431 N 1.20 0.53 3.44 0.72 0.00 -0.15 -4.77 105.19 106.15 2jke n GLY 431 Ca 0.17 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 2jke n GLY 431 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jke s ILE 432 N -2.00 2.78 -0.12 -0.61 -1.09 0.17 -4.92 121.20 115.40 2jke s ILE 432 Ca 0.00 -0.92 -0.07 0.00 -2.23 0.00 0.00 60.65 57.43 2jke s ILE 432 Cb 0.00 -2.08 -0.04 0.00 -1.58 0.00 0.00 42.46 38.76 2jke s ILE 432 CO 0.00 0.53 0.14 -0.54 -1.23 0.00 0.00 174.94 173.84 2jke s LYS 433 N -0.88 3.50 0.15 2.79 -0.14 -0.51 -3.58 119.74 121.08 2jke s LYS 433 Ca 0.12 -0.13 -0.24 0.00 -1.36 0.00 0.00 55.97 54.36 2jke s LYS 433 Cb -0.10 -3.21 -0.08 0.00 -1.68 0.00 0.00 37.83 32.76 2jke s LYS 433 CO 0.01 0.74 0.73 -1.64 -0.76 0.00 0.00 175.35 174.44 2jke s MET 434 N -0.92 4.48 -0.23 1.68 -1.94 -1.26 -1.59 119.30 119.51 2jke s MET 434 Ca 0.15 1.06 -0.13 0.00 -1.71 0.00 0.00 55.69 55.05 2jke s MET 434 Cb -0.12 -3.25 -0.04 0.00 2.01 0.00 0.00 34.83 33.43 2jke s MET 434 CO 0.04 0.58 0.28 1.41 -0.01 0.00 0.00 175.02 177.32 2jke s MET 435 N -1.16 4.10 0.46 2.03 1.75 -0.03 -4.37 119.30 122.08 2jke s MET 435 Ca 0.34 -0.05 -0.22 0.00 -1.25 0.00 0.00 55.69 54.52 2jke s MET 435 Cb -0.22 -3.55 -0.08 0.00 2.84 0.00 0.00 34.83 33.82 2jke s MET 435 CO 0.25 -0.02 1.09 1.41 -0.65 0.00 0.00 175.02 177.10 2jke s MET 436 N 1.28 3.81 -0.15 4.11 0.00 -0.21 -3.66 119.30 124.48 2jke s MET 436 Ca 0.13 1.56 0.02 0.00 0.00 0.00 0.00 55.69 57.40 2jke s MET 436 Cb -0.14 -2.29 0.01 0.00 0.00 0.00 0.00 34.83 32.41 2jke s MET 436 CO 0.07 -0.46 -0.21 -1.58 0.00 0.00 0.00 175.02 172.84 2jke s HIS 437 N -1.73 2.70 -0.60 4.11 2.46 -1.26 -0.63 115.29 120.33 2jke s HIS 437 Ca 0.65 -1.38 0.06 0.00 0.47 0.00 0.00 55.06 54.86 2jke s HIS 437 Cb -0.23 -1.84 0.26 0.00 -0.13 0.00 0.00 32.58 30.65 2jke s HIS 437 CO 0.27 -0.64 0.75 0.72 -2.47 0.00 0.00 174.74 173.37 2jke n HIS 438 N 4.17 3.25 -1.81 3.88 8.25 0.60 -4.97 115.22 128.59 2jke n HIS 438 Ca -0.20 -4.07 -0.42 0.00 -0.26 0.00 0.00 57.72 52.76 2jke n HIS 438 Cb 0.51 -0.53 -0.03 0.00 1.12 0.00 0.00 29.99 31.06 2jke n HIS 438 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2jke s GLU 439 N -2.47 4.16 -0.00 -0.41 2.56 -1.26 -1.84 118.70 119.43 2jke s GLU 439 Ca 0.41 2.51 0.20 0.00 0.00 0.00 0.00 54.97 58.08 2jke s GLU 439 Cb 0.17 -3.16 -0.22 0.00 2.00 0.00 0.00 34.13 32.92 2jke s GLU 439 CO -0.04 -0.71 0.84 0.25 -0.56 0.00 0.00 175.26 175.05 2jke n THR 440 N 4.06 0.00 -2.58 -1.70 -2.24 -0.19 -4.86 114.28 106.77 2jke n THR 440 Ca 0.15 -0.04 -0.18 0.00 -2.27 0.00 0.00 64.05 61.70 2jke n THR 440 Cb 0.37 0.95 -0.00 0.00 -2.10 0.00 0.00 70.33 69.55 2jke n THR 440 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2jke n SER 441 N -1.51 -5.13 -1.26 3.42 2.88 -1.26 -1.57 113.62 109.19 2jke n SER 441 Ca 0.03 -0.02 -0.16 0.00 -1.33 0.00 0.00 58.87 57.40 2jke n SER 441 Cb 0.33 -4.27 -0.07 0.00 -0.75 0.00 0.00 64.21 59.44 2jke n SER 441 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jke n ALA 442 N -2.43 -0.25 -3.21 -1.46 0.00 -1.18 -4.62 120.51 107.36 2jke n ALA 442 Ca -0.18 0.27 -0.46 0.00 0.00 0.00 0.00 53.44 53.07 2jke n ALA 442 Cb 0.64 -1.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 2jke n ALA 442 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jke s SER 443 N -2.70 6.53 -0.04 0.00 0.15 -0.61 -0.76 113.70 116.27 2jke s SER 443 Ca 0.00 -2.17 -0.06 0.00 0.70 0.00 0.00 55.95 54.42 2jke s SER 443 Cb 0.00 -2.26 -0.29 0.00 -1.71 0.00 0.00 66.02 61.76 2jke s SER 443 CO 0.00 -0.82 0.71 0.58 1.20 0.00 0.00 173.24 174.91 2jke h VAL 444 N 5.39 0.98 -0.66 4.45 2.07 -1.07 -1.95 116.25 125.46 2jke h VAL 444 Ca -0.03 -2.61 -0.00 0.00 0.82 0.00 0.00 66.70 64.87 2jke h VAL 444 Cb 1.06 2.72 -0.03 0.00 -1.52 0.00 0.00 31.29 33.51 2jke h VAL 444 CO 0.94 0.83 0.40 -0.09 0.02 0.00 0.00 177.57 179.66 2jke h ARG 445 N 0.08 0.90 -0.85 1.57 2.43 -1.90 -0.85 114.38 115.77 2jke h ARG 445 Ca -0.31 -0.08 0.05 0.00 -0.81 0.00 0.00 59.98 58.82 2jke h ARG 445 Cb 2.06 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 31.36 2jke h ARG 445 CO 0.16 0.65 0.54 -0.97 -1.51 0.00 0.00 179.97 178.83 2jke h ASN 446 N 0.90 0.87 -0.31 -3.80 -1.24 -1.83 -0.36 115.58 109.82 2jke h ASN 446 Ca 0.24 0.01 -0.07 0.00 0.71 0.00 0.00 56.30 57.18 2jke h ASN 446 Cb -0.02 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 38.84 2jke h ASN 446 CO -0.04 0.58 -0.08 0.22 -1.29 0.00 0.00 177.43 176.82 2jke h TYR 447 N 1.01 0.66 -0.91 0.67 3.20 -0.86 -2.54 116.97 118.21 2jke h TYR 447 Ca 0.35 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 2jke h TYR 447 Cb 0.08 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 2jke h TYR 447 CO -0.03 0.78 0.53 0.93 -1.64 0.00 0.00 178.16 178.73 2jke h GLU 448 N 0.36 1.25 -0.28 1.82 5.08 -0.63 0.54 114.58 122.72 2jke h GLU 448 Ca 0.08 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2jke h GLU 448 Cb 0.56 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2jke h GLU 448 CO 0.03 0.89 0.10 0.00 -1.00 0.00 0.00 179.01 179.03 2jke h ARG 449 N 1.26 0.39 -0.02 2.33 3.08 -0.97 -2.28 114.38 118.17 2jke h ARG 449 Ca 0.32 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.33 2jke h ARG 449 Cb -0.02 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2jke h ARG 449 CO -0.06 0.34 -0.18 0.72 -1.07 0.00 0.00 179.97 179.72 2jke n HIS 450 N -4.41 0.00 -0.12 3.04 8.25 -0.74 -4.66 115.22 116.58 2jke n HIS 450 Ca 0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.35 2jke n HIS 450 Cb 0.14 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.19 2jke n HIS 450 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 2jke h MET 451 N 2.51 0.85 -0.52 -0.41 -1.53 -0.30 0.97 114.93 116.49 2jke h MET 451 Ca 0.00 -0.41 -0.08 0.00 -3.44 0.00 0.00 59.70 55.77 2jke h MET 451 Cb 0.66 -0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.69 2jke h MET 451 CO 0.00 1.05 0.01 -0.44 0.14 0.00 0.00 176.91 177.67 2jke h ASP 452 N 0.65 0.90 -0.51 1.39 3.32 -1.83 0.41 116.42 120.75 2jke h ASP 452 Ca 0.07 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.78 2jke h ASP 452 Cb 0.85 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 2jke h ASP 452 CO 0.07 0.98 0.18 0.11 -1.72 0.00 0.00 179.24 178.86 2jke h LYS 453 N 0.79 0.83 -0.33 3.56 1.79 -1.82 0.14 116.57 121.53 2jke h LYS 453 Ca 0.15 -0.15 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 2jke h LYS 453 Cb 0.52 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 2jke h LYS 453 CO 0.03 0.71 -0.17 0.00 -1.08 0.00 0.00 179.45 178.94 2jke h ALA 454 N 1.39 0.46 -0.31 3.86 0.00 -0.32 0.08 119.26 124.42 2jke h ALA 454 Ca 0.19 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 2jke h ALA 454 Cb 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2jke h ALA 454 CO -0.01 0.38 -0.29 1.88 0.00 0.00 0.00 179.25 181.21 2jke h TYR 455 N 0.46 0.74 -0.63 0.00 0.05 -0.78 -1.67 116.97 115.13 2jke h TYR 455 Ca 0.07 -0.18 -0.09 0.00 0.05 0.00 0.00 58.73 58.58 2jke h TYR 455 Cb 0.70 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 2jke h TYR 455 CO 0.06 0.87 0.06 0.37 -1.05 0.00 0.00 178.16 178.46 2jke h GLN 456 N 0.56 1.08 -0.60 4.88 5.75 -0.84 -0.69 115.11 125.24 2jke h GLN 456 Ca 0.07 -0.31 0.02 0.00 -0.15 0.00 0.00 58.65 58.28 2jke h GLN 456 Cb 0.78 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 29.18 2jke h GLN 456 CO 0.06 1.02 0.38 0.35 -2.65 0.00 0.00 178.83 177.99 2jke h PHE 457 N 1.00 0.71 -0.29 3.99 3.57 -0.79 0.14 116.94 125.27 2jke h PHE 457 Ca 0.19 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.75 2jke h PHE 457 Cb 0.49 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 2jke h PHE 457 CO 0.04 0.42 0.03 0.52 -2.23 0.00 0.00 178.31 177.09 2jke h MET 458 N 0.76 0.12 -0.76 1.11 2.86 -1.00 -2.06 114.93 115.96 2jke h MET 458 Ca 0.24 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.82 2jke h MET 458 Cb -0.01 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 2jke h MET 458 CO -0.08 0.08 0.30 0.00 1.06 0.00 0.00 176.91 178.26 2jke h ALA 459 N 1.23 0.98 0.00 6.32 0.00 -0.57 -0.32 119.26 126.90 2jke h ALA 459 Ca 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jke h ALA 459 Cb 0.17 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2jke h ALA 459 CO -0.21 0.61 0.00 -0.44 0.00 0.00 0.00 179.25 179.22 2jke h ASP 460 N 1.10 0.00 0.00 0.00 3.32 -0.56 -3.23 116.42 117.05 2jke h ASP 460 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2jke h ASP 460 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2jke h ASP 460 CO -0.02 0.00 -0.06 0.59 -1.72 0.00 0.00 179.24 178.03 2jke n ASN 461 N -2.98 1.97 0.00 6.45 4.13 -0.79 -5.00 115.26 119.03 2jke n ASN 461 Ca 0.01 -2.77 0.00 0.00 1.68 0.00 0.00 54.58 53.50 2jke n ASN 461 Cb 0.29 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 38.19 2jke n ASN 461 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jke n GLY 462 N -1.11 0.48 3.63 7.41 0.00 -0.74 -4.83 105.19 110.03 2jke n GLY 462 Ca 0.12 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 2jke n GLY 462 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jke s TYR 463 N -2.00 3.27 0.00 1.61 2.02 -0.21 -4.50 117.35 117.54 2jke s TYR 463 Ca 0.00 0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.82 2jke s TYR 463 Cb 0.00 -2.22 0.00 0.00 -0.40 0.00 0.00 41.96 39.34 2jke s TYR 463 CO 0.00 0.03 1.00 0.27 -1.57 0.00 0.00 175.55 175.28 2jke n ASN 464 N 4.20 1.99 -3.90 2.29 0.23 -1.26 -4.16 115.26 114.65 2jke n ASN 464 Ca -0.15 -1.99 -0.11 0.00 -0.53 0.00 0.00 54.58 51.79 2jke n ASN 464 Cb 0.52 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.11 2jke n ASN 464 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2jke s SER 465 N -0.99 0.06 -0.01 0.53 1.04 -1.26 -0.99 113.70 112.08 2jke s SER 465 Ca 0.00 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.23 2jke s SER 465 Cb 0.00 0.17 0.02 0.00 0.10 0.00 0.00 66.02 66.31 2jke s SER 465 CO 0.00 -0.27 0.01 0.54 0.98 0.00 0.00 173.24 174.50 2jke s VAL 466 N -1.07 0.02 -0.31 5.02 0.11 -0.14 -1.04 120.40 123.00 2jke s VAL 466 Ca -0.12 0.09 -0.15 0.00 -2.93 0.00 0.00 61.98 58.87 2jke s VAL 466 Cb -0.07 -0.09 -0.02 0.00 -1.53 0.00 0.00 36.38 34.67 2jke s VAL 466 CO 0.00 0.06 0.36 -0.75 -3.33 0.00 0.00 175.10 171.45 2jke s LYS 467 N 0.56 3.76 0.41 1.54 2.20 0.20 -1.08 119.74 127.33 2jke s LYS 467 Ca -0.05 -0.23 0.08 0.00 -0.36 0.00 0.00 55.97 55.41 2jke s LYS 467 Cb -0.07 -3.74 -0.00 0.00 -1.51 0.00 0.00 37.83 32.51 2jke s LYS 467 CO -0.01 -0.41 0.49 -1.54 -0.36 0.00 0.00 175.35 173.51 2jke s SER 468 N 1.71 5.48 0.12 1.43 1.04 0.03 -0.30 113.70 123.21 2jke s SER 468 Ca 0.13 -0.50 -0.17 0.00 0.48 0.00 0.00 55.95 55.89 2jke s SER 468 Cb -0.16 -0.70 0.04 0.00 0.10 0.00 0.00 66.02 65.29 2jke s SER 468 CO 0.11 -0.67 0.43 -0.83 0.98 0.00 0.00 173.24 173.25 2jke s GLY 469 N -4.25 -0.32 -0.39 7.32 0.00 -0.77 -1.35 107.32 107.57 2jke s GLY 469 Ca 0.51 0.06 0.11 0.00 0.00 0.00 0.00 44.72 45.41 2jke s GLY 469 CO 0.31 -0.20 0.71 -1.72 0.00 0.00 0.00 173.10 172.20 2jke n TYR 470 N -0.15 0.36 -2.82 1.90 4.01 -1.19 -1.02 117.16 118.25 2jke n TYR 470 Ca -0.16 -3.79 -0.42 0.00 -0.16 0.00 0.00 57.90 53.36 2jke n TYR 470 Cb 0.63 -0.41 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 2jke n TYR 470 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2jke s VAL 471 N -2.36 4.81 0.00 -0.72 1.01 -1.26 -4.38 120.40 117.51 2jke s VAL 471 Ca 0.40 1.75 0.00 0.00 0.00 0.00 0.00 61.98 64.13 2jke s VAL 471 Cb 0.32 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2jke s VAL 471 CO -0.09 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.58 2jke n GLY 472 N 3.45 2.14 3.76 4.51 0.00 -1.26 -3.12 105.19 114.67 2jke n GLY 472 Ca 0.07 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.50 2jke n GLY 472 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jke s ASN 473 N 0.00 6.90 0.34 1.61 0.02 -1.26 -4.73 114.94 117.82 2jke s ASN 473 Ca 0.00 2.55 -0.29 0.00 -1.02 0.00 0.00 52.86 54.10 2jke s ASN 473 Cb 0.00 -2.64 -0.12 0.00 0.02 0.00 0.00 41.25 38.52 2jke s ASN 473 CO 0.00 -0.45 1.43 -0.38 0.02 0.00 0.00 177.10 177.72 2jke n ILE 474 N 1.24 1.77 -3.98 0.60 2.08 -1.26 -4.80 119.36 115.01 2jke n ILE 474 Ca 0.01 -0.44 -0.34 0.00 0.56 0.00 0.00 62.75 62.53 2jke n ILE 474 Cb 0.43 -1.80 -0.15 0.00 -0.75 0.00 0.00 39.64 37.37 2jke n ILE 474 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2jke s ILE 475 N -0.86 2.87 0.24 1.39 1.01 0.06 -3.34 121.20 122.56 2jke s ILE 475 Ca 0.57 -0.74 -0.31 0.00 0.00 0.00 0.00 60.65 60.17 2jke s ILE 475 Cb -0.52 -2.31 -0.11 0.00 0.01 0.00 0.00 42.46 39.53 2jke s ILE 475 CO 0.60 0.41 1.57 -2.16 0.00 0.00 0.00 174.94 175.36 2jke s PRO 476 N 1.39 4.18 0.17 2.79 0.04 -1.26 -0.45 135.00 141.86 2jke s PRO 476 Ca 0.04 2.46 -0.30 0.00 0.04 0.00 0.00 61.00 63.25 2jke s PRO 476 Cb -0.14 -3.08 -0.07 0.00 0.04 0.00 0.00 34.50 31.24 2jke s PRO 476 CO -0.06 -0.59 1.08 1.03 0.04 0.00 0.00 177.00 178.49 2jke s ARG 477 N 0.19 4.61 0.00 4.56 0.52 -1.21 -2.81 118.95 124.81 2jke s ARG 477 Ca 0.66 1.67 0.00 0.00 -0.52 0.00 0.00 55.73 57.54 2jke s ARG 477 Cb -0.46 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 31.72 2jke s ARG 477 CO 0.40 0.10 0.00 0.41 0.02 0.00 0.00 175.30 176.24 2jke n GLY 478 N 2.08 1.61 3.85 -3.53 0.00 -1.26 -5.02 105.19 102.92 2jke n GLY 478 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2jke n GLY 478 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jke s GLU 479 N -0.07 3.83 0.31 1.61 0.41 -1.12 -3.68 118.70 119.98 2jke s GLU 479 Ca 0.00 0.84 0.08 0.00 -0.41 0.00 0.00 54.97 55.48 2jke s GLU 479 Cb 0.00 -2.15 -0.04 0.00 -1.78 0.00 0.00 34.13 30.17 2jke s GLU 479 CO 0.00 -0.33 0.19 -1.01 -0.49 0.00 0.00 175.26 173.61 2jke s HIS 480 N -2.76 2.87 0.54 1.61 3.76 -1.26 -4.24 115.29 115.81 2jke s HIS 480 Ca 0.57 -0.27 0.22 0.00 -0.15 0.00 0.00 55.06 55.43 2jke s HIS 480 Cb -0.10 -1.57 1.50 0.00 1.11 0.00 0.00 32.58 33.52 2jke s HIS 480 CO 0.38 0.37 2.19 0.45 -0.85 0.00 0.00 174.74 177.28 2jke h HIS 481 N 1.48 0.00 -0.19 1.40 3.86 -1.73 -3.16 115.15 116.81 2jke h HIS 481 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 2jke h HIS 481 Cb 1.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.72 2jke h HIS 481 CO 0.58 0.01 0.00 0.66 0.86 0.00 0.00 177.93 180.05 2jke n TYR 482 N -4.21 0.26 -1.18 2.45 4.01 -1.07 -4.44 117.16 112.98 2jke n TYR 482 Ca -0.03 -0.51 -0.29 0.00 -0.16 0.00 0.00 57.90 56.92 2jke n TYR 482 Cb 0.10 -0.04 0.19 0.00 -0.31 0.00 0.00 39.34 39.27 2jke n TYR 482 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2jke s GLY 483 N -1.02 1.56 0.32 2.72 0.00 -1.19 -1.78 107.32 107.93 2jke s GLY 483 Ca 0.13 -0.47 0.02 0.00 0.00 0.00 0.00 44.72 44.40 2jke s GLY 483 CO 0.09 0.18 1.94 -1.61 0.00 0.00 0.00 173.10 173.69 2jke h GLN 484 N -1.99 0.92 0.29 2.90 4.15 -1.81 -0.64 115.11 118.93 2jke h GLN 484 Ca -0.54 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 58.82 2jke h GLN 484 Cb 1.33 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.80 2jke h GLN 484 CO 0.55 0.61 -0.23 2.35 -1.93 0.00 0.00 178.83 180.19 2jke h TRP 485 N 0.95 -0.60 -0.14 3.99 2.91 -1.92 -1.74 115.95 119.40 2jke h TRP 485 Ca 0.35 -0.00 -0.10 0.00 1.13 0.00 0.00 58.89 60.27 2jke h TRP 485 Cb 0.17 0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 29.03 2jke h TRP 485 CO -0.00 -0.34 -0.35 0.52 -1.03 0.00 0.00 178.44 177.24 2jke h MET 486 N -0.52 0.29 -0.84 2.65 2.86 -1.75 -2.00 114.93 115.61 2jke h MET 486 Ca -0.02 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.52 2jke h MET 486 Cb 0.46 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 2jke h MET 486 CO -0.01 0.61 0.55 -0.91 1.06 0.00 0.00 176.91 178.21 2jke h ASN 487 N 0.25 0.94 -0.06 1.22 2.35 -0.95 0.85 115.58 120.18 2jke h ASN 487 Ca 0.03 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.78 2jke h ASN 487 Cb 0.74 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 2jke h ASN 487 CO 0.06 0.67 -0.04 -1.13 -1.65 0.00 0.00 177.43 175.34 2jke h ASN 488 N 1.11 -0.13 -0.32 5.81 -0.73 -1.08 -2.59 115.58 117.66 2jke h ASN 488 Ca 0.32 0.03 0.07 0.00 1.87 0.00 0.00 56.30 58.59 2jke h ASN 488 Cb -0.08 0.07 -0.08 0.00 0.27 0.00 0.00 38.32 38.50 2jke h ASN 488 CO -0.08 -0.06 -0.20 -0.74 -0.37 0.00 0.00 177.43 175.98 2jke h HIS 489 N -0.04 -0.50 -0.69 0.67 2.76 -0.54 0.75 115.15 117.55 2jke h HIS 489 Ca 0.04 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2jke h HIS 489 Cb 0.10 0.27 -0.03 0.00 1.55 0.00 0.00 27.41 29.30 2jke h HIS 489 CO -0.14 -0.27 0.38 1.88 -1.30 0.00 0.00 177.93 178.47 2jke h TYR 490 N -0.16 0.94 0.01 5.26 0.05 -0.77 -0.70 116.97 121.60 2jke h TYR 490 Ca 0.16 -0.02 -0.21 0.00 0.05 0.00 0.00 58.73 58.72 2jke h TYR 490 Cb 0.41 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 2jke h TYR 490 CO -0.40 0.65 -0.92 1.25 -1.05 0.00 0.00 178.16 177.70 2jke h LEU 491 N 0.97 0.30 -0.71 3.88 5.85 -1.07 -2.50 115.31 122.02 2jke h LEU 491 Ca 0.25 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jke h LEU 491 Cb 0.03 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2jke h LEU 491 CO -0.04 1.06 0.46 0.22 -0.34 0.00 0.00 178.44 179.80 2jke h TYR 492 N 0.12 0.91 -0.81 1.25 3.20 -0.25 0.25 116.97 121.64 2jke h TYR 492 Ca -0.05 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 2jke h TYR 492 Cb 1.56 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 39.49 2jke h TYR 492 CO 0.03 0.59 0.40 0.00 -1.64 0.00 0.00 178.16 177.55 2jke h ALA 493 N 1.25 1.17 -0.18 1.82 0.00 -1.02 0.08 119.26 122.38 2jke h ALA 493 Ca 0.26 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2jke h ALA 493 Cb -0.08 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 2jke h ALA 493 CO -0.05 0.63 -0.20 0.28 0.00 0.00 0.00 179.25 179.91 2jke h VAL 494 N 1.15 1.34 -0.51 0.00 2.07 -0.93 -0.82 116.25 118.54 2jke h VAL 494 Ca 0.28 -1.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.36 2jke h VAL 494 Cb 0.10 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2jke h VAL 494 CO -0.04 0.41 0.04 0.11 0.02 0.00 0.00 177.57 178.12 2jke h LYS 495 N 0.10 0.88 -0.46 1.57 1.57 -0.32 -0.50 116.57 119.41 2jke h LYS 495 Ca 0.03 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 2jke h LYS 495 Cb 0.74 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 2jke h LYS 495 CO 0.05 0.89 0.13 -0.22 -0.57 0.00 0.00 179.45 179.72 2jke h LYS 496 N 0.75 0.72 -0.89 3.15 3.64 -1.02 -2.44 116.57 120.47 2jke h LYS 496 Ca 0.15 -0.16 0.11 0.00 -1.27 0.00 0.00 60.65 59.48 2jke h LYS 496 Cb 0.46 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.10 2jke h LYS 496 CO 0.02 0.70 0.52 0.00 -2.27 0.00 0.00 179.45 178.42 2jke h ALA 497 N 0.99 1.31 -0.35 5.00 0.00 -0.84 -1.42 119.26 123.94 2jke h ALA 497 Ca 0.15 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2jke h ALA 497 Cb 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2jke h ALA 497 CO -0.00 0.12 0.12 0.00 0.00 0.00 0.00 179.25 179.49 2jke h ALA 498 N 1.50 1.56 0.00 0.00 0.00 -0.62 -0.07 119.26 121.63 2jke h ALA 498 Ca 0.44 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2jke h ALA 498 Cb 0.45 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jke h ALA 498 CO -0.27 0.34 -0.15 -0.44 0.00 0.00 0.00 179.25 178.74 2jke h ASP 499 N 0.50 0.00 -0.35 0.00 3.32 -0.98 -1.65 116.42 117.26 2jke h ASP 499 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2jke h ASP 499 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2jke h ASP 499 CO -0.01 0.15 0.00 -1.22 -1.72 0.00 0.00 179.24 176.44 2jke n TYR 500 N -3.67 0.45 -3.65 4.55 4.01 -0.18 -4.96 117.16 113.71 2jke n TYR 500 Ca -0.02 -0.23 -0.23 0.00 -0.16 0.00 0.00 57.90 57.26 2jke n TYR 500 Cb 0.27 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.36 2jke n TYR 500 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2jke n LYS 501 N 0.98 -6.72 -4.82 -0.72 4.76 -0.62 -5.00 118.16 106.02 2jke n LYS 501 Ca 0.18 0.75 -0.33 0.00 -2.87 0.00 0.00 58.31 56.04 2jke n LYS 501 Cb 0.47 -5.70 -0.13 0.00 -1.84 0.00 0.00 35.03 27.83 2jke n LYS 501 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2jke s ILE 502 N -3.37 3.16 0.08 -0.18 1.01 -0.36 -4.90 121.20 116.64 2jke s ILE 502 Ca 0.39 -0.67 -0.08 0.00 0.00 0.00 0.00 60.65 60.29 2jke s ILE 502 Cb -0.18 -2.27 -0.06 0.00 0.01 0.00 0.00 42.46 39.96 2jke s ILE 502 CO 0.76 0.58 0.37 -0.04 0.00 0.00 0.00 174.94 176.61 2jke s MET 503 N -0.50 3.70 -0.03 2.79 -1.94 -0.16 -4.07 119.30 119.09 2jke s MET 503 Ca 0.07 0.08 0.05 0.00 -1.71 0.00 0.00 55.69 54.17 2jke s MET 503 Cb -0.12 -2.99 -0.01 0.00 2.01 0.00 0.00 34.83 33.73 2jke s MET 503 CO 0.02 0.56 -0.17 0.08 -0.01 0.00 0.00 175.02 175.50 2jke s VAL 504 N -1.42 1.37 -0.24 -6.03 1.01 -0.05 -0.96 120.40 114.07 2jke s VAL 504 Ca 0.33 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.61 2jke s VAL 504 Cb -0.13 -1.16 0.07 0.00 0.00 0.00 0.00 36.38 35.15 2jke s VAL 504 CO 0.19 0.39 -0.02 0.21 0.00 0.00 0.00 175.10 175.87 2jke s ASN 505 N -0.13 3.78 -0.35 3.32 2.47 -0.24 -1.54 114.94 122.25 2jke s ASN 505 Ca 0.00 -1.23 -0.10 0.00 0.42 0.00 0.00 52.86 51.95 2jke s ASN 505 Cb -0.09 -1.08 0.02 0.00 -1.45 0.00 0.00 41.25 38.65 2jke s ASN 505 CO 0.01 -0.28 0.18 0.00 -3.72 0.00 0.00 177.10 173.29 2jke s ALA 506 N 1.46 3.23 0.54 1.71 0.00 -0.77 -0.79 121.76 127.14 2jke s ALA 506 Ca -0.02 -1.65 -0.18 0.00 0.00 0.00 0.00 51.96 50.11 2jke s ALA 506 Cb -0.18 -2.49 -0.06 0.00 0.00 0.00 0.00 23.12 20.39 2jke s ALA 506 CO -0.09 -1.27 1.03 -1.01 0.00 0.00 0.00 175.76 174.43 2jke s HIS 507 N 1.54 3.10 0.00 0.00 3.76 -0.46 -2.75 115.29 120.47 2jke s HIS 507 Ca 0.02 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 56.46 2jke s HIS 507 Cb -0.19 -2.98 0.00 0.00 1.11 0.00 0.00 32.58 30.53 2jke s HIS 507 CO 0.06 -0.83 0.00 0.39 -0.85 0.00 0.00 174.74 173.51 2jke n GLU 508 N -1.55 -0.49 -1.77 1.40 4.71 -1.26 -3.17 120.64 118.51 2jke n GLU 508 Ca 0.08 0.12 -0.29 0.00 -0.01 0.00 0.00 57.16 57.06 2jke n GLU 508 Cb 0.53 -4.15 0.09 0.00 -1.01 0.00 0.00 31.44 26.90 2jke n GLU 508 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2jke s ALA 509 N -1.60 2.43 0.32 0.62 0.00 -1.25 -4.84 121.76 117.43 2jke s ALA 509 Ca 0.00 -0.53 -0.28 0.00 0.00 0.00 0.00 51.96 51.15 2jke s ALA 509 Cb 0.00 -3.00 -0.13 0.00 0.00 0.00 0.00 23.12 19.99 2jke s ALA 509 CO 0.00 -1.75 1.26 2.41 0.00 0.00 0.00 175.76 177.68 2jke n THR 510 N -3.39 1.88 -1.98 0.00 -1.04 -1.26 -4.59 114.28 103.90 2jke n THR 510 Ca 0.07 -0.47 -0.37 0.00 -2.04 0.00 0.00 64.05 61.24 2jke n THR 510 Cb 0.59 -1.47 0.03 0.00 -1.82 0.00 0.00 70.33 67.66 2jke n THR 510 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jke s ARG 511 N -1.67 3.15 0.58 -2.82 1.04 -1.26 -4.94 118.95 113.03 2jke s ARG 511 Ca 0.57 1.95 -0.16 0.00 -1.04 0.00 0.00 55.73 57.05 2jke s ARG 511 Cb -0.60 -2.11 -0.04 0.00 -2.04 0.00 0.00 34.95 30.16 2jke s ARG 511 CO 0.61 -1.10 1.04 -1.25 -0.04 0.00 0.00 175.30 174.56 2jke s PRO 512 N -3.09 3.42 -0.03 3.89 0.04 -1.26 -4.98 135.00 132.99 2jke s PRO 512 Ca 0.73 1.14 0.24 0.00 0.04 0.00 0.00 61.00 63.15 2jke s PRO 512 Cb -0.33 -2.05 0.43 0.00 0.04 0.00 0.00 34.50 32.59 2jke s PRO 512 CO 0.38 -0.72 1.18 0.25 0.04 0.00 0.00 177.00 178.12 2jke n THR 513 N -2.01 0.33 -0.53 1.26 -2.24 -1.22 -4.40 114.28 105.47 2jke n THR 513 Ca 0.08 -1.35 0.00 0.00 -2.27 0.00 0.00 64.05 60.51 2jke n THR 513 Cb 0.53 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 2jke n THR 513 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jke n GLY 514 N 0.25 0.74 0.29 3.38 0.00 0.14 -1.04 105.19 108.95 2jke n GLY 514 Ca 0.08 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.29 2jke n GLY 514 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2jke h ILE 515 N 0.00 0.00 -0.49 -0.61 2.04 -1.93 -2.09 117.51 114.43 2jke h ILE 515 Ca 0.00 -0.34 0.14 0.00 1.00 0.00 0.00 64.86 65.67 2jke h ILE 515 Cb 0.00 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 2jke h ILE 515 CO 0.00 0.00 0.37 0.00 0.00 0.00 0.00 178.15 178.52 2jke h ARG 517 N 0.00 0.52 -0.17 0.00 2.43 -1.69 -1.91 114.38 113.56 2jke h ARG 517 Ca 0.23 -0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 59.18 2jke h ARG 517 Cb 0.98 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.41 2jke h ARG 517 CO -0.00 0.35 -0.62 1.15 -1.51 0.00 0.00 179.97 179.33 2jke h THR 518 N 0.54 1.30 -2.96 0.20 2.02 -1.00 -2.90 112.91 110.11 2jke h THR 518 Ca 0.22 -1.85 -0.61 0.00 0.77 0.00 0.00 66.41 64.94 2jke h THR 518 Cb 0.11 1.95 -0.40 0.00 -1.74 0.00 0.00 68.15 68.07 2jke h THR 518 CO -0.14 0.58 -0.72 -0.31 0.37 0.00 0.00 175.52 175.30 2jke s TYR 519 N -3.84 2.41 -1.83 3.16 2.02 -0.12 -0.73 117.35 118.42 2jke s TYR 519 Ca -0.11 -2.75 0.20 0.00 -0.37 0.00 0.00 57.07 54.03 2jke s TYR 519 Cb 0.08 -2.06 1.12 0.00 -0.40 0.00 0.00 41.96 40.70 2jke s TYR 519 CO 0.88 -0.72 1.58 -2.30 -1.57 0.00 0.00 175.55 173.41 2jke n PRO 520 N 2.94 0.52 0.00 -1.71 -0.01 -0.74 -1.55 135.00 134.44 2jke n PRO 520 Ca 0.15 0.03 0.13 0.00 -0.01 0.00 0.00 63.50 63.80 2jke n PRO 520 Cb 0.37 -1.50 0.60 0.00 -0.01 0.00 0.00 33.50 32.96 2jke n PRO 520 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 175.50 175.76 2jke n ASN 521 N -1.08 0.00 -4.55 2.55 6.94 -1.26 -4.31 115.26 113.55 2jke n ASN 521 Ca 0.13 0.24 -0.41 0.00 -0.02 0.00 0.00 54.58 54.52 2jke n ASN 521 Cb 0.09 -0.41 -0.03 0.00 -2.36 0.00 0.00 39.78 37.08 2jke n ASN 521 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2jke s LEU 522 N -2.81 3.63 0.00 -4.53 2.96 -0.60 -0.87 118.68 116.46 2jke s LEU 522 Ca 0.18 -1.54 0.26 0.00 -0.22 0.00 0.00 54.13 52.80 2jke s LEU 522 Cb 0.17 -2.56 0.57 0.00 0.50 0.00 0.00 46.19 44.87 2jke s LEU 522 CO 0.44 -1.46 1.45 2.30 -1.32 0.00 0.00 176.35 177.77 2jke n ILE 523 N 6.76 0.00 -3.60 6.68 -5.35 -0.59 -4.76 119.36 118.50 2jke n ILE 523 Ca 0.33 -0.23 -0.04 0.00 -0.27 0.00 0.00 62.75 62.53 2jke n ILE 523 Cb 0.51 0.76 -0.02 0.00 -1.74 0.00 0.00 39.64 39.15 2jke n ILE 523 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2jke s GLY 524 N -2.32 -0.36 0.19 3.28 0.00 -1.16 -4.46 107.32 102.49 2jke s GLY 524 Ca 0.26 0.92 -0.03 0.00 0.00 0.00 0.00 44.72 45.88 2jke s GLY 524 CO 0.46 0.28 0.16 -1.31 0.00 0.00 0.00 173.10 172.69 2jke s ASN 525 N -2.59 0.15 0.00 1.64 0.01 -1.22 -1.85 114.94 111.08 2jke s ASN 525 Ca 0.09 -1.27 0.00 0.00 -0.71 0.00 0.00 52.86 50.98 2jke s ASN 525 Cb 0.00 0.39 0.00 0.00 0.41 0.00 0.00 41.25 42.05 2jke s ASN 525 CO -0.04 -0.85 0.00 1.21 -1.51 0.00 0.00 177.10 175.91 2jke n GLU 526 N -0.24 0.00 -3.02 -0.60 2.13 -1.11 -0.77 120.64 117.03 2jke n GLU 526 Ca -0.01 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.62 2jke n GLU 526 Cb 0.65 -0.09 0.04 0.00 0.27 0.00 0.00 31.44 32.31 2jke n GLU 526 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2jke n SER 527 N -0.48 -5.58 -3.76 4.31 7.64 -1.26 -4.75 113.62 109.74 2jke n SER 527 Ca 0.00 -0.29 0.03 0.00 1.01 0.00 0.00 58.87 59.62 2jke n SER 527 Cb 0.00 -4.37 0.01 0.00 -1.01 0.00 0.00 64.21 58.84 2jke n SER 527 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jke s ALA 528 N -3.13 -2.53 -0.34 -0.43 0.00 -1.26 -4.67 121.76 109.39 2jke s ALA 528 Ca 0.31 0.46 -0.28 0.00 0.00 0.00 0.00 51.96 52.45 2jke s ALA 528 Cb -0.14 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.62 2jke s ALA 528 CO 0.38 -1.12 1.04 0.50 0.00 0.00 0.00 175.76 176.57 2jke s ARG 529 N -2.09 4.00 0.00 0.00 3.52 -1.21 -4.59 118.95 118.58 2jke s ARG 529 Ca 0.23 0.93 0.00 0.00 -0.13 0.00 0.00 55.73 56.76 2jke s ARG 529 Cb 0.03 -3.76 0.00 0.00 -1.56 0.00 0.00 34.95 29.66 2jke s ARG 529 CO -0.04 -0.93 0.00 0.41 -0.81 0.00 0.00 175.30 173.94 2jke n GLY 530 N 4.04 2.67 0.30 8.12 0.00 -1.26 -4.99 105.19 114.06 2jke n GLY 530 Ca 0.11 -2.14 0.16 0.00 0.00 0.00 0.00 46.02 44.15 2jke n GLY 530 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2jke h THR 531 N 0.24 0.45 -0.91 2.61 2.02 -1.69 -1.95 112.91 113.68 2jke h THR 531 Ca 0.00 -0.13 0.16 0.00 0.77 0.00 0.00 66.41 67.22 2jke h THR 531 Cb 0.00 1.09 -0.07 0.00 -1.74 0.00 0.00 68.15 67.42 2jke h THR 531 CO 0.00 0.03 0.58 1.05 0.37 0.00 0.00 175.52 177.55 2jke h GLU 532 N 0.00 0.61 0.00 6.66 4.11 -1.90 0.13 114.58 124.18 2jke h GLU 532 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2jke h GLU 532 Cb 0.08 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2jke h GLU 532 CO 0.00 0.40 0.00 0.66 0.07 0.00 0.00 179.01 180.14 2jke n TYR 533 N -4.57 0.05 0.37 2.06 4.02 -0.73 -1.31 117.16 117.04 2jke n TYR 533 Ca 0.19 0.02 0.11 0.00 -0.01 0.00 0.00 57.90 58.20 2jke n TYR 533 Cb 0.54 -0.53 0.47 0.00 -0.02 0.00 0.00 39.34 39.80 2jke n TYR 533 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2jke n GLU 534 N -1.54 0.16 0.00 -0.72 -0.58 0.46 -0.68 120.64 117.73 2jke n GLU 534 Ca 0.04 0.43 0.10 0.00 -0.42 0.00 0.00 57.16 57.31 2jke n GLU 534 Cb 0.20 -1.82 -0.08 0.00 -0.57 0.00 0.00 31.44 29.17 2jke n GLU 534 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2jke n SER 535 N -2.12 0.90 -1.13 1.62 3.41 -0.42 -3.95 113.62 111.93 2jke n SER 535 Ca 0.02 -0.86 0.01 0.00 -0.26 0.00 0.00 58.87 57.77 2jke n SER 535 Cb 0.19 0.94 0.23 0.00 -0.26 0.00 0.00 64.21 65.31 2jke n SER 535 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2jke n PHE 536 N -1.53 1.20 0.00 7.33 3.72 -0.63 -4.65 117.46 122.89 2jke n PHE 536 Ca 0.04 -1.23 0.00 0.00 -0.05 0.00 0.00 57.45 56.20 2jke n PHE 536 Cb 0.34 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 2jke n PHE 536 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jke n GLY 537 N -0.77 1.85 0.00 1.37 0.00 -1.18 -5.04 105.19 101.42 2jke n GLY 537 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2jke n GLY 537 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jke n GLY 538 N 0.00 2.92 3.94 -0.02 0.00 0.14 -4.69 105.19 107.48 2jke n GLY 538 Ca 0.00 -1.85 -0.26 0.00 0.00 0.00 0.00 46.02 43.90 2jke n GLY 538 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jke s ASN 539 N 0.00 6.35 0.57 1.61 0.01 -1.26 -4.65 114.94 117.57 2jke s ASN 539 Ca 0.00 0.24 -0.21 0.00 -0.71 0.00 0.00 52.86 52.18 2jke s ASN 539 Cb 0.00 -1.94 -0.05 0.00 0.41 0.00 0.00 41.25 39.67 2jke s ASN 539 CO 0.00 0.02 1.24 0.29 -1.51 0.00 0.00 177.10 177.14 2jke n LYS 540 N -0.60 1.41 -0.19 -0.60 5.02 -1.26 -4.59 118.16 117.35 2jke n LYS 540 Ca -0.06 0.53 0.10 0.00 -2.02 0.00 0.00 58.31 56.85 2jke n LYS 540 Cb 0.54 -2.45 0.41 0.00 -0.02 0.00 0.00 35.03 33.51 2jke n LYS 540 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2jke h VAL 541 N 1.09 0.91 -0.06 -0.18 2.07 -1.97 -1.37 116.25 116.75 2jke h VAL 541 Ca -0.50 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2jke h VAL 541 Cb 1.33 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2jke h VAL 541 CO 0.55 0.11 0.00 0.00 0.02 0.00 0.00 177.57 178.26 2jke n TYR 542 N -4.50 0.07 -0.16 1.57 0.18 -1.26 -4.50 117.16 108.55 2jke n TYR 542 Ca 0.13 -0.03 -0.02 0.00 1.88 0.00 0.00 57.90 59.86 2jke n TYR 542 Cb 0.37 0.00 0.07 0.00 -0.38 0.00 0.00 39.34 39.39 2jke n TYR 542 CO 0.00 0.00 0.00 1.25 -2.08 0.00 0.00 176.86 176.03 2jke h HIS 543 N 0.75 0.05 0.00 -3.48 2.76 -1.59 0.62 115.15 114.26 2jke h HIS 543 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2jke h HIS 543 Cb 0.17 0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.18 2jke h HIS 543 CO 0.03 -0.08 0.00 2.41 -1.30 0.00 0.00 177.93 179.00 2jke n THR 544 N -5.19 0.06 1.36 6.26 -1.04 -1.26 -1.65 114.28 112.82 2jke n THR 544 Ca 0.06 0.02 0.13 0.00 -2.04 0.00 0.00 64.05 62.22 2jke n THR 544 Cb 0.27 -0.55 0.42 0.00 -1.82 0.00 0.00 70.33 68.65 2jke n THR 544 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2jke n THR 545 N -1.21 0.00 -0.06 12.58 -2.24 0.20 -4.31 114.28 119.24 2jke n THR 545 Ca 0.16 -0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 61.60 2jke n THR 545 Cb 0.19 0.62 -0.05 0.00 -2.10 0.00 0.00 70.33 68.99 2jke n THR 545 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2jke n ILE 546 N 0.10 0.68 -0.35 2.28 5.41 -0.66 -2.48 119.36 124.34 2jke n ILE 546 Ca 0.16 -0.25 0.15 0.00 1.00 0.00 0.00 62.75 63.81 2jke n ILE 546 Cb 0.39 -0.97 0.35 0.00 -0.71 0.00 0.00 39.64 38.70 2jke n ILE 546 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2jke h LEU 547 N -0.03 0.74 -1.73 1.39 3.38 -1.60 0.05 115.31 117.50 2jke h LEU 547 Ca -0.27 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2jke h LEU 547 Cb 1.40 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 2jke h LEU 547 CO -0.05 0.20 -0.09 -0.65 0.09 0.00 0.00 178.44 177.94 2jke h PRO 548 N 0.68 0.00 0.00 1.13 0.11 -1.86 -0.75 132.00 131.32 2jke h PRO 548 Ca 0.61 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.72 2jke h PRO 548 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2jke h PRO 548 CO -0.42 0.09 -0.38 1.19 -0.21 0.00 0.00 178.00 178.27 2jke n PHE 549 N -3.33 0.29 0.00 0.65 3.72 -0.03 -4.31 117.46 114.46 2jke n PHE 549 Ca -0.01 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 2jke n PHE 549 Cb 0.28 -0.52 0.00 0.00 -0.94 0.00 0.00 39.48 38.30 2jke n PHE 549 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2jke n THR 550 N -1.79 0.00 -0.28 4.37 -2.24 -0.66 -4.71 114.28 108.97 2jke n THR 550 Ca 0.05 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.92 2jke n THR 550 Cb 0.38 -0.08 0.22 0.00 -2.10 0.00 0.00 70.33 68.75 2jke n THR 550 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2jke h ARG 551 N 0.00 0.18 0.00 -0.78 9.65 -1.66 -1.48 114.38 120.28 2jke h ARG 551 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2jke h ARG 551 Cb 0.00 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 2jke h ARG 551 CO 0.00 0.12 0.00 1.28 2.80 0.00 0.00 179.97 184.17 2jke n LEU 552 N -5.26 0.60 -4.60 3.80 4.77 -0.38 -4.51 117.00 111.43 2jke n LEU 552 Ca 0.17 0.63 -0.43 0.00 -0.03 0.00 0.00 56.01 56.35 2jke n LEU 552 Cb 0.57 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 2jke n LEU 552 CO 0.07 -0.46 1.40 -0.69 -1.33 0.00 0.00 177.39 176.38 2jke s VAL 553 N -3.24 3.66 0.00 4.08 1.01 -0.56 -1.96 120.40 123.39 2jke s VAL 553 Ca 0.06 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2jke s VAL 553 Cb 0.10 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2jke s VAL 553 CO 0.41 -0.59 0.00 0.61 0.00 0.00 0.00 175.10 175.53 2jke n GLY 554 N 5.28 1.53 0.00 4.51 0.00 -1.26 -4.72 105.19 110.54 2jke n GLY 554 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2jke n GLY 554 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jke n GLY 555 N -0.44 3.12 3.79 -0.02 0.00 -0.83 0.27 105.19 111.08 2jke n GLY 555 Ca 0.00 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 2jke n GLY 555 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jke s PRO 556 N -2.15 2.48 -0.03 1.61 0.04 -1.26 -4.42 135.00 131.27 2jke s PRO 556 Ca 0.00 0.99 0.06 0.00 0.04 0.00 0.00 61.00 62.10 2jke s PRO 556 Cb 0.00 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 2jke s PRO 556 CO 0.00 -1.44 -0.21 1.41 0.04 0.00 0.00 177.00 176.81 2jke s MET 557 N -5.00 2.26 -1.16 4.56 1.75 -1.25 -3.42 119.30 117.05 2jke s MET 557 Ca 0.60 -0.84 -0.17 0.00 -1.25 0.00 0.00 55.69 54.03 2jke s MET 557 Cb -0.15 -2.18 0.13 0.00 2.84 0.00 0.00 34.83 35.46 2jke s MET 557 CO 0.55 0.58 1.45 0.34 -0.65 0.00 0.00 175.02 177.30 2jke s ASP 558 N -0.70 6.88 0.28 1.11 2.15 0.05 -4.73 116.67 121.70 2jke s ASP 558 Ca 0.11 -2.54 0.24 0.00 0.43 0.00 0.00 52.55 50.78 2jke s ASP 558 Cb -0.10 -2.46 0.39 0.00 -0.30 0.00 0.00 42.92 40.45 2jke s ASP 558 CO -0.00 -0.98 1.49 0.22 -0.17 0.00 0.00 175.17 175.73 2jke h TYR 559 N 7.81 0.00 -5.96 -5.34 3.20 -1.87 -3.43 116.97 111.38 2jke h TYR 559 Ca 0.31 0.00 -0.37 0.00 3.14 0.00 0.00 58.73 61.81 2jke h TYR 559 Cb 0.91 0.00 0.12 0.00 1.54 0.00 0.00 36.73 39.31 2jke h TYR 559 CO 1.21 0.00 -0.91 0.25 -1.64 0.00 0.00 178.16 177.07 2jke n THR 560 N -2.63 -6.91 -1.24 1.81 -2.24 -1.26 -2.03 114.28 99.78 2jke n THR 560 Ca 0.03 -1.08 -0.23 0.00 -2.27 0.00 0.00 64.05 60.51 2jke n THR 560 Cb 0.49 -5.05 0.18 0.00 -2.10 0.00 0.00 70.33 63.85 2jke n THR 560 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2jke n PRO 561 N -3.87 -1.97 -0.29 -0.78 -0.04 -1.25 -4.55 135.00 122.24 2jke n PRO 561 Ca -0.09 -1.44 0.00 0.00 -0.04 0.00 0.00 63.50 61.93 2jke n PRO 561 Cb 0.60 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 2jke n PRO 561 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jke n GLY 562 N -2.50 1.60 3.65 0.55 0.00 -1.26 -1.98 105.19 105.26 2jke n GLY 562 Ca 0.12 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2jke n GLY 562 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jke s ILE 563 N -2.00 4.85 -0.24 -0.61 -1.09 -1.26 -3.67 121.20 117.17 2jke s ILE 563 Ca 0.00 1.61 0.03 0.00 -2.23 0.00 0.00 60.65 60.06 2jke s ILE 563 Cb 0.00 -4.13 -0.19 0.00 -1.58 0.00 0.00 42.46 36.56 2jke s ILE 563 CO 0.00 -0.04 -0.14 0.49 -1.23 0.00 0.00 174.94 174.02 2jke n PHE 564 N 5.74 0.11 -2.99 3.97 3.01 -1.26 -4.66 117.46 121.38 2jke n PHE 564 Ca 0.05 0.03 -0.44 0.00 1.01 0.00 0.00 57.45 58.10 2jke n PHE 564 Cb 0.48 -1.02 -0.03 0.00 -0.01 0.00 0.00 39.48 38.90 2jke n PHE 564 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2jke s GLU 565 N -2.52 3.29 0.00 -1.08 2.56 -1.26 -4.87 118.70 114.81 2jke s GLU 565 Ca -0.31 -1.40 0.29 0.00 0.00 0.00 0.00 54.97 53.55 2jke s GLU 565 Cb 0.08 -4.48 1.36 0.00 2.00 0.00 0.00 34.13 33.09 2jke s GLU 565 CO 0.64 -1.69 1.94 0.25 -0.56 0.00 0.00 175.26 175.85 2jke n THR 566 N 5.53 0.00 -3.20 -1.70 -2.24 -1.26 -4.57 114.28 106.84 2jke n THR 566 Ca 0.05 -0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 2jke n THR 566 Cb 0.46 -0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.36 2jke n THR 566 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2jke s HIS 567 N -2.50 3.10 0.19 4.78 3.76 -1.26 -0.85 115.29 122.52 2jke s HIS 567 Ca 0.29 -0.33 0.34 0.00 -0.15 0.00 0.00 55.06 55.22 2jke s HIS 567 Cb 0.20 -3.24 1.72 0.00 1.11 0.00 0.00 32.58 32.37 2jke s HIS 567 CO 0.47 -0.86 2.04 0.00 -0.85 0.00 0.00 174.74 175.54 2jke h ASN 569 N 0.00 0.00 1.14 0.00 7.08 -1.51 -0.77 115.58 121.52 2jke h ASN 569 Ca 0.00 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.18 2jke h ASN 569 Cb 0.17 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.40 2jke h ASN 569 CO 0.00 0.00 -0.18 0.11 -2.08 0.00 0.00 177.43 175.28 2jke h LYS 570 N 0.00 0.00 0.07 4.14 1.57 -1.75 -3.06 116.57 117.54 2jke h LYS 570 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 2jke h LYS 570 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2jke h LYS 570 CO 0.00 0.18 -0.78 0.52 -0.57 0.00 0.00 179.45 178.80 2jke h MET 571 N 0.00 0.16 -2.84 3.15 2.86 -1.35 -3.46 114.93 113.45 2jke h MET 571 Ca -0.00 -0.27 -0.42 0.00 -2.06 0.00 0.00 59.70 56.95 2jke h MET 571 Cb 0.80 0.10 -0.39 0.00 0.06 0.00 0.00 31.60 32.17 2jke h MET 571 CO 0.02 1.13 -0.71 1.21 1.06 0.00 0.00 176.91 179.62 2jke s ASN 572 N -6.75 2.09 0.49 1.22 2.47 -0.76 -4.47 114.94 109.23 2jke s ASN 572 Ca -0.19 -0.53 0.33 0.00 0.42 0.00 0.00 52.86 52.89 2jke s ASN 572 Cb 0.01 -0.03 1.78 0.00 -1.45 0.00 0.00 41.25 41.56 2jke s ASN 572 CO 0.74 -0.35 2.01 1.55 -3.72 0.00 0.00 177.10 177.34 2jke h PRO 573 N 8.38 0.00 -0.00 0.43 0.13 -1.81 -0.29 132.00 138.84 2jke h PRO 573 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2jke h PRO 573 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2jke h PRO 573 CO 0.30 0.00 -0.12 0.00 -0.23 0.00 0.00 178.00 177.95 2jke n ALA 574 N -1.93 2.73 -2.83 -0.56 0.00 -1.26 -4.72 120.51 111.93 2jke n ALA 574 Ca -0.02 -0.22 -0.40 0.00 0.00 0.00 0.00 53.44 52.80 2jke n ALA 574 Cb 0.07 -1.36 -0.11 0.00 0.00 0.00 0.00 19.45 18.05 2jke n ALA 574 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2jke s ASN 575 N -2.66 5.71 -0.21 0.00 3.84 -0.12 -4.94 114.94 116.56 2jke s ASN 575 Ca 0.24 -0.92 0.15 0.00 0.21 0.00 0.00 52.86 52.54 2jke s ASN 575 Cb 0.20 -2.02 0.80 0.00 -0.55 0.00 0.00 41.25 39.67 2jke s ASN 575 CO 0.51 -0.36 1.72 -0.46 -2.79 0.00 0.00 177.10 175.72 2jke n ASN 576 N 4.99 5.48 -4.78 -4.21 2.04 -1.26 -1.89 115.26 115.64 2jke n ASN 576 Ca -0.12 -2.82 -0.36 0.00 -0.44 0.00 0.00 54.58 50.85 2jke n ASN 576 Cb 0.46 -0.66 -0.01 0.00 -2.53 0.00 0.00 39.78 37.05 2jke n ASN 576 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 2jke s SER 577 N -0.85 6.02 -0.07 0.53 0.15 -1.26 -4.90 113.70 113.32 2jke s SER 577 Ca 0.54 2.17 0.01 0.00 0.70 0.00 0.00 55.95 59.37 2jke s SER 577 Cb 0.40 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 62.14 2jke s SER 577 CO 0.18 -1.01 -0.09 -1.58 1.20 0.00 0.00 173.24 171.94 2jke s GLN 578 N -3.05 1.42 0.15 5.44 0.74 -1.26 -1.51 119.66 121.59 2jke s GLN 578 Ca 0.68 -0.28 -0.31 0.00 0.05 0.00 0.00 55.36 55.49 2jke s GLN 578 Cb -0.24 -1.30 -0.10 0.00 1.10 0.00 0.00 33.01 32.47 2jke s GLN 578 CO 0.28 -0.08 1.61 0.08 -0.55 0.00 0.00 175.29 176.63 2jke s VAL 579 N 1.03 2.63 -1.51 1.34 1.01 -0.03 -4.54 120.40 120.33 2jke s VAL 579 Ca -0.08 0.39 -0.12 0.00 0.00 0.00 0.00 61.98 62.17 2jke s VAL 579 Cb -0.15 -3.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.98 2jke s VAL 579 CO -0.00 0.02 2.50 0.54 0.00 0.00 0.00 175.10 178.16 2jke n ARG 580 N 4.36 3.25 -3.58 2.72 3.00 -1.26 -4.85 116.66 120.30 2jke n ARG 580 Ca 0.15 -2.51 -0.13 0.00 -0.01 0.00 0.00 57.85 55.35 2jke n ARG 580 Cb 0.38 -3.07 -0.05 0.00 0.00 0.00 0.00 32.46 29.72 2jke n ARG 580 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2jke s SER 581 N 2.64 -0.40 0.57 0.55 0.15 -1.26 -4.73 113.70 111.22 2jke s SER 581 Ca 0.56 0.05 -0.05 0.00 0.70 0.00 0.00 55.95 57.21 2jke s SER 581 Cb 0.15 0.49 0.01 0.00 -1.71 0.00 0.00 66.02 64.97 2jke s SER 581 CO -0.07 -0.76 0.86 0.42 1.20 0.00 0.00 173.24 174.89 2jke s THR 582 N -2.81 3.63 0.22 6.45 -4.23 -0.49 -4.64 115.64 113.77 2jke s THR 582 Ca -0.03 -0.12 -0.08 0.00 -1.18 0.00 0.00 61.69 60.29 2jke s THR 582 Cb -0.00 -3.42 0.18 0.00 1.34 0.00 0.00 72.50 70.59 2jke s THR 582 CO -0.05 -0.41 1.81 0.40 -0.54 0.00 0.00 174.62 175.83 2jke h ILE 583 N -0.09 1.26 -0.10 2.99 2.04 -1.28 -2.49 117.51 119.84 2jke h ILE 583 Ca -0.45 -0.74 -0.07 0.00 1.00 0.00 0.00 64.86 64.60 2jke h ILE 583 Cb 1.26 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2jke h ILE 583 CO 0.60 0.32 -0.25 0.00 0.00 0.00 0.00 178.15 178.82 2jke h ALA 584 N 1.21 1.41 -0.36 1.87 0.00 -1.86 -1.76 119.26 119.77 2jke h ALA 584 Ca 0.29 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2jke h ALA 584 Cb 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2jke h ALA 584 CO -0.03 0.42 -0.20 -0.09 0.00 0.00 0.00 179.25 179.34 2jke h ARG 585 N 0.16 0.69 -0.99 0.00 1.12 -1.68 -1.92 114.38 111.75 2jke h ARG 585 Ca 0.03 -0.26 0.03 0.00 -1.11 0.00 0.00 59.98 58.66 2jke h ARG 585 Cb 0.53 -0.04 -0.06 0.00 -0.01 0.00 0.00 29.97 30.39 2jke h ARG 585 CO 0.04 0.84 0.65 1.96 -3.11 0.00 0.00 179.97 180.35 2jke h GLN 586 N 0.61 1.24 -0.59 0.20 1.08 -0.89 -2.08 115.11 114.68 2jke h GLN 586 Ca 0.09 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 2jke h GLN 586 Cb 0.68 -0.28 -0.03 0.00 -0.05 0.00 0.00 27.48 27.80 2jke h GLN 586 CO 0.05 0.82 0.26 -0.07 -0.95 0.00 0.00 178.83 178.94 2jke h LEU 587 N 1.28 0.79 -1.49 1.46 3.38 -1.10 -2.81 115.31 116.81 2jke h LEU 587 Ca 0.39 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.26 2jke h LEU 587 Cb -0.04 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2jke h LEU 587 CO -0.11 0.72 0.41 0.00 0.09 0.00 0.00 178.44 179.55 2jke h ALA 588 N 1.10 1.78 -0.03 1.53 0.00 -0.71 -2.54 119.26 120.38 2jke h ALA 588 Ca 0.20 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2jke h ALA 588 Cb 0.16 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jke h ALA 588 CO -0.02 0.13 0.03 -0.07 0.00 0.00 0.00 179.25 179.32 2jke h LEU 589 N 0.63 0.00 -2.66 0.00 3.38 -1.13 0.12 115.31 115.65 2jke h LEU 589 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2jke h LEU 589 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2jke h LEU 589 CO -0.08 0.00 0.00 1.88 0.09 0.00 0.00 178.44 180.33 2jke h TYR 590 N 0.00 0.00 0.00 1.13 0.05 -1.59 0.20 116.97 116.77 2jke h TYR 590 Ca 0.02 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.56 2jke h TYR 590 Cb 0.08 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.78 2jke h TYR 590 CO 0.00 0.00 -1.89 0.28 -1.05 0.00 0.00 178.16 175.50 2jke n VAL 591 N -2.95 0.89 0.65 -2.88 0.31 0.23 -4.72 118.33 109.86 2jke n VAL 591 Ca -0.03 -0.39 0.12 0.00 -0.01 0.00 0.00 64.34 64.04 2jke n VAL 591 Cb 0.08 -0.97 0.23 0.00 -0.91 0.00 0.00 33.84 32.27 2jke n VAL 591 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2jke n THR 592 N -2.84 0.32 -3.71 2.52 -2.24 -0.06 -4.26 114.28 104.01 2jke n THR 592 Ca -0.26 -0.23 -0.35 0.00 -2.27 0.00 0.00 64.05 60.94 2jke n THR 592 Cb 0.82 -0.15 -0.09 0.00 -2.10 0.00 0.00 70.33 68.82 2jke n THR 592 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2jke s MET 593 N -3.13 2.87 0.19 -0.78 1.00 0.05 -4.81 119.30 114.69 2jke s MET 593 Ca 0.08 -2.98 -0.33 0.00 0.00 0.00 0.00 55.69 52.46 2jke s MET 593 Cb 0.14 -3.79 -0.13 0.00 0.00 0.00 0.00 34.83 31.05 2jke s MET 593 CO 0.70 -1.23 1.54 0.98 0.00 0.00 0.00 175.02 177.01 2jke n TYR 594 N 2.75 2.31 -3.63 -0.03 9.36 -1.26 -4.76 117.16 121.90 2jke n TYR 594 Ca 0.15 0.30 -0.09 0.00 3.32 0.00 0.00 57.90 61.58 2jke n TYR 594 Cb 0.37 -2.53 -0.07 0.00 -0.63 0.00 0.00 39.34 36.48 2jke n TYR 594 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2jke s SER 595 N 0.74 -0.41 0.00 2.98 0.15 -1.26 -3.89 113.70 112.00 2jke s SER 595 Ca 0.75 0.73 0.30 0.00 0.70 0.00 0.00 55.95 58.43 2jke s SER 595 Cb -0.65 0.72 1.74 0.00 -1.71 0.00 0.00 66.02 66.12 2jke s SER 595 CO 0.41 -0.18 2.12 -0.81 1.20 0.00 0.00 173.24 175.98 2jke n PRO 596 N 1.87 0.84 -3.93 5.44 -0.04 -1.26 -4.57 135.00 133.36 2jke n PRO 596 Ca -0.12 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.04 2jke n PRO 596 Cb 0.56 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.37 2jke n PRO 596 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2jke s LEU 597 N -2.11 2.54 -0.14 1.53 2.96 -1.26 -0.32 118.68 121.88 2jke s LEU 597 Ca 0.42 -1.19 -0.00 0.00 -0.22 0.00 0.00 54.13 53.13 2jke s LEU 597 Cb 0.21 -1.15 0.03 0.00 0.50 0.00 0.00 46.19 45.78 2jke s LEU 597 CO 0.37 -0.25 -0.06 -1.10 -1.32 0.00 0.00 176.35 173.99 2jke s GLN 598 N 1.41 1.48 0.19 1.98 -1.52 -0.51 -4.72 119.66 117.98 2jke s GLN 598 Ca -0.05 -0.40 -0.13 0.00 -1.95 0.00 0.00 55.36 52.83 2jke s GLN 598 Cb -0.19 -1.83 -0.07 0.00 -0.22 0.00 0.00 33.01 30.71 2jke s GLN 598 CO -0.07 -0.36 0.57 1.41 -0.25 0.00 0.00 175.29 176.59 2jke s MET 599 N 1.67 3.93 -0.46 2.91 1.75 -1.26 -0.82 119.30 127.01 2jke s MET 599 Ca 0.03 0.44 -0.11 0.00 -1.25 0.00 0.00 55.69 54.79 2jke s MET 599 Cb -0.14 -2.79 0.10 0.00 2.84 0.00 0.00 34.83 34.84 2jke s MET 599 CO -0.08 0.39 0.34 0.00 -0.65 0.00 0.00 175.02 175.02 2jke s ALA 600 N -1.63 3.41 -0.51 4.11 0.00 0.23 -3.88 121.76 123.49 2jke s ALA 600 Ca 0.43 -2.31 0.24 0.00 0.00 0.00 0.00 51.96 50.32 2jke s ALA 600 Cb -0.13 -2.85 0.38 0.00 0.00 0.00 0.00 23.12 20.51 2jke s ALA 600 CO 0.20 -1.78 1.45 0.00 0.00 0.00 0.00 175.76 175.63 2jke h ALA 601 N 8.54 0.79 -2.42 0.00 0.00 -1.58 -3.40 119.26 121.18 2jke h ALA 601 Ca -0.24 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.21 2jke h ALA 601 Cb 1.09 0.00 0.14 0.00 0.00 0.00 0.00 17.79 19.02 2jke h ALA 601 CO 0.84 0.00 0.28 0.34 0.00 0.00 0.00 179.25 180.71 2jke s ASP 602 N -5.15 3.20 0.40 0.00 -1.08 -1.24 -4.44 116.67 108.36 2jke s ASP 602 Ca 0.06 0.94 -0.19 0.00 -0.52 0.00 0.00 52.55 52.84 2jke s ASP 602 Cb 0.10 -1.48 -0.10 0.00 -1.46 0.00 0.00 42.92 39.97 2jke s ASP 602 CO 0.69 -2.74 0.89 0.27 0.52 0.00 0.00 175.17 174.80 2jke s ILE 603 N -3.25 4.47 0.29 4.11 -4.36 -1.26 -4.84 121.20 116.36 2jke s ILE 603 Ca 0.65 1.34 0.03 0.00 -0.26 0.00 0.00 60.65 62.42 2jke s ILE 603 Cb -0.15 -3.60 0.28 0.00 1.25 0.00 0.00 42.46 40.24 2jke s ILE 603 CO 0.54 -0.28 1.75 -0.65 0.24 0.00 0.00 174.94 176.53 2jke h PRO 604 N 2.00 0.60 0.00 0.37 0.11 -1.96 -0.40 132.00 132.73 2jke h PRO 604 Ca -0.49 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 2jke h PRO 604 Cb 1.18 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2jke h PRO 604 CO 0.62 0.40 -0.11 0.93 -0.21 0.00 0.00 178.00 179.63 2jke h GLU 605 N 0.62 0.00 -0.00 1.05 5.08 -1.99 -0.47 114.58 118.87 2jke h GLU 605 Ca 0.54 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.68 2jke h GLU 605 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2jke h GLU 605 CO -0.42 0.11 -0.93 -0.91 -1.00 0.00 0.00 179.01 175.86 2jke h ASN 606 N 0.00 0.49 0.08 1.42 2.35 -1.46 -2.97 115.58 115.49 2jke h ASN 606 Ca -0.00 -0.39 -0.10 0.00 -0.55 0.00 0.00 56.30 55.26 2jke h ASN 606 Cb 0.21 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2jke h ASN 606 CO 0.01 1.19 -0.32 1.88 -1.65 0.00 0.00 177.43 178.55 2jke h TYR 607 N 0.21 0.40 0.00 1.19 0.05 -1.12 -2.63 116.97 115.08 2jke h TYR 607 Ca -0.07 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.61 2jke h TYR 607 Cb 1.56 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 39.21 2jke h TYR 607 CO 0.05 0.64 0.00 0.93 -1.05 0.00 0.00 178.16 178.73 2jke h GLU 608 N 0.31 0.00 0.00 4.88 5.08 -1.01 -1.54 114.58 122.30 2jke h GLU 608 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2jke h GLU 608 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2jke h GLU 608 CO 0.05 0.00 -0.17 -0.09 -1.00 0.00 0.00 179.01 177.80 2jke h ARG 609 N 0.00 0.00 -1.46 2.33 2.43 -1.31 -3.35 114.38 113.01 2jke h ARG 609 Ca 0.00 0.00 -0.44 0.00 -0.81 0.00 0.00 59.98 58.73 2jke h ARG 609 Cb 0.31 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.45 2jke h ARG 609 CO 0.00 0.00 -1.12 1.19 -1.51 0.00 0.00 179.97 178.53 2jke n PHE 610 N -2.82 1.25 0.24 2.20 3.72 -0.62 -4.94 117.46 116.49 2jke n PHE 610 Ca 0.04 -3.24 0.09 0.00 -0.05 0.00 0.00 57.45 54.29 2jke n PHE 610 Cb 0.51 -0.37 0.61 0.00 -0.94 0.00 0.00 39.48 39.28 2jke n PHE 610 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 2jke h MET 611 N 2.96 0.00 -0.41 -1.08 4.05 -1.61 -1.71 114.93 117.13 2jke h MET 611 Ca 0.02 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.36 2jke h MET 611 Cb 1.04 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.83 2jke h MET 611 CO 0.56 0.18 -0.05 0.38 0.23 0.00 0.00 176.91 178.20 2jke h ASP 612 N 0.00 0.75 0.07 1.39 2.03 -1.92 -2.75 116.42 116.00 2jke h ASP 612 Ca -0.00 -0.34 -0.13 0.00 -0.73 0.00 0.00 57.03 55.83 2jke h ASP 612 Cb 0.40 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 38.69 2jke h ASP 612 CO 0.02 0.91 -0.43 0.00 -1.03 0.00 0.00 179.24 178.71 2jke h ALA 613 N 0.87 0.91 -0.10 4.15 0.00 -1.83 -2.96 119.26 120.30 2jke h ALA 613 Ca 0.11 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.60 2jke h ALA 613 Cb 0.56 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2jke h ALA 613 CO 0.03 0.64 0.13 0.35 0.00 0.00 0.00 179.25 180.40 2jke h PHE 614 N 0.37 0.00 -0.29 0.00 3.57 -1.09 -1.80 116.94 117.71 2jke h PHE 614 Ca 0.03 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.56 2jke h PHE 614 Cb 0.91 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 2jke h PHE 614 CO 0.03 0.00 0.19 0.37 -2.23 0.00 0.00 178.31 176.67 2jke h GLN 615 N 0.00 0.25 -0.65 1.11 5.75 -1.32 -0.89 115.11 119.38 2jke h GLN 615 Ca 0.05 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.46 2jke h GLN 615 Cb 0.31 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 2jke h GLN 615 CO -0.00 0.17 0.14 0.35 -2.65 0.00 0.00 178.83 176.84 2jke h PHE 616 N 0.26 1.10 -0.65 3.99 3.57 -1.53 -0.74 116.94 122.93 2jke h PHE 616 Ca 0.12 -0.14 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 2jke h PHE 616 Cb 0.16 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 2jke h PHE 616 CO -0.00 0.92 0.10 0.82 -2.23 0.00 0.00 178.31 177.91 2jke h ILE 617 N 0.96 1.26 -0.74 1.41 2.04 -1.36 -0.39 117.51 120.69 2jke h ILE 617 Ca 0.20 -1.03 -0.05 0.00 1.00 0.00 0.00 64.86 64.98 2jke h ILE 617 Cb 0.38 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 2jke h ILE 617 CO 0.00 0.39 0.27 0.11 0.00 0.00 0.00 178.15 178.92 2jke h LYS 618 N 1.00 1.13 0.08 2.37 1.57 -0.94 -3.26 116.57 118.53 2jke h LYS 618 Ca 0.20 -0.22 -0.25 0.00 -1.87 0.00 0.00 60.65 58.51 2jke h LYS 618 Cb 0.44 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 2jke h LYS 618 CO 0.01 0.94 -1.13 -0.44 -0.57 0.00 0.00 179.45 178.26 2jke h ASP 619 N 1.08 0.34 -3.94 0.86 3.32 -0.76 -3.47 116.42 113.84 2jke h ASP 619 Ca 0.24 -0.34 -0.54 0.00 0.02 0.00 0.00 57.03 56.41 2jke h ASP 619 Cb 0.25 -0.11 0.10 0.00 0.22 0.00 0.00 39.33 39.80 2jke h ASP 619 CO -0.02 1.24 0.76 0.54 -1.72 0.00 0.00 179.24 180.04 2jke s VAL 620 N -2.78 2.12 0.85 -1.35 0.11 -0.19 -4.99 120.40 114.18 2jke s VAL 620 Ca -0.03 0.12 -0.12 0.00 -2.93 0.00 0.00 61.98 59.01 2jke s VAL 620 Cb 0.08 -3.08 0.11 0.00 -1.53 0.00 0.00 36.38 31.96 2jke s VAL 620 CO 0.86 0.03 1.18 0.00 -3.33 0.00 0.00 175.10 173.84 2jke s ALA 621 N -1.13 2.35 -0.27 1.54 0.00 -1.26 -5.02 121.76 117.97 2jke s ALA 621 Ca 0.53 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.87 2jke s ALA 621 Cb -0.46 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 2jke s ALA 621 CO 0.62 -1.93 0.28 1.28 0.00 0.00 0.00 175.76 176.01 2jke n LEU 622 N -3.49 0.48 -3.75 0.00 4.77 -1.26 -5.00 117.00 108.74 2jke n LEU 622 Ca 0.08 -0.63 -0.13 0.00 -0.03 0.00 0.00 56.01 55.30 2jke n LEU 622 Cb 0.60 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.60 2jke n LEU 622 CO 0.56 0.11 0.03 -0.62 -1.33 0.00 0.00 177.39 176.14 2jke s ASP 623 N -1.10 -0.29 0.01 -1.43 2.15 -1.26 -4.24 116.67 110.49 2jke s ASP 623 Ca 0.02 0.43 0.02 0.00 0.43 0.00 0.00 52.55 53.45 2jke s ASP 623 Cb 0.03 0.54 -0.01 0.00 -0.30 0.00 0.00 42.92 43.18 2jke s ASP 623 CO 0.13 -0.27 -0.05 0.26 -0.17 0.00 0.00 175.17 175.07 2jke s TRP 624 N -0.50 0.45 -0.11 -5.34 0.52 -1.10 -0.92 118.94 111.93 2jke s TRP 624 Ca -0.06 -0.16 0.16 0.00 0.02 0.00 0.00 56.10 56.05 2jke s TRP 624 Cb -0.04 -0.29 -0.14 0.00 -1.15 0.00 0.00 33.47 31.86 2jke s TRP 624 CO 0.02 -0.03 0.84 -0.44 0.02 0.00 0.00 176.95 177.36 2jke h ASP 625 N 5.72 0.00 -5.02 2.95 3.32 -1.03 -3.21 116.42 119.16 2jke h ASP 625 Ca -0.29 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.65 2jke h ASP 625 Cb 1.20 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.56 2jke h ASP 625 CO 0.48 0.63 -0.33 -1.61 -1.72 0.00 0.00 179.24 176.70 2jke s GLU 626 N -2.88 0.68 -0.02 3.56 2.02 -1.23 -1.54 118.70 119.28 2jke s GLU 626 Ca -0.03 -0.39 0.01 0.00 0.02 0.00 0.00 54.97 54.59 2jke s GLU 626 Cb 0.09 0.29 0.01 0.00 0.10 0.00 0.00 34.13 34.62 2jke s GLU 626 CO 0.81 -0.19 -0.04 0.99 0.02 0.00 0.00 175.26 176.84 2jke s THR 627 N -1.88 0.44 -0.19 3.63 2.01 -1.15 -0.84 115.64 117.67 2jke s THR 627 Ca -0.10 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 61.76 2jke s THR 627 Cb -0.04 -0.44 0.01 0.00 0.01 0.00 0.00 72.50 72.05 2jke s THR 627 CO 0.00 0.17 -0.17 0.20 -0.69 0.00 0.00 174.62 174.13 2jke s ASN 628 N 0.48 3.35 -0.61 3.53 0.01 0.91 -5.01 114.94 117.60 2jke s ASN 628 Ca -0.06 -0.60 -0.24 0.00 -0.71 0.00 0.00 52.86 51.25 2jke s ASN 628 Cb -0.09 -1.53 0.05 0.00 0.41 0.00 0.00 41.25 40.09 2jke s ASN 628 CO -0.00 -0.00 0.98 -0.31 -1.51 0.00 0.00 177.10 176.25 2jke s TYR 629 N 1.32 2.70 -0.03 2.20 2.02 -1.26 -1.11 117.35 123.20 2jke s TYR 629 Ca 0.05 -0.22 -0.22 0.00 -0.37 0.00 0.00 57.07 56.31 2jke s TYR 629 Cb -0.13 -4.20 -0.25 0.00 -0.40 0.00 0.00 41.96 36.97 2jke s TYR 629 CO -0.11 -1.53 1.02 -0.07 -1.57 0.00 0.00 175.55 173.29 2jke h LEU 630 N 11.29 0.38 -7.67 -1.29 3.38 -1.35 -3.47 115.31 116.59 2jke h LEU 630 Ca -0.27 -0.82 -0.18 0.00 0.09 0.00 0.00 57.88 56.70 2jke h LEU 630 Cb 1.07 -0.12 -0.25 0.00 0.09 0.00 0.00 40.66 41.45 2jke h LEU 630 CO 1.14 1.16 -0.57 -1.61 0.09 0.00 0.00 178.44 178.65 2jke s GLU 631 N -2.97 0.23 -0.29 1.13 2.02 -0.86 -4.97 118.70 112.99 2jke s GLU 631 Ca -0.14 -0.02 -0.15 0.00 0.02 0.00 0.00 54.97 54.68 2jke s GLU 631 Cb 0.02 0.10 0.10 0.00 0.10 0.00 0.00 34.13 34.45 2jke s GLU 631 CO 0.79 -0.04 0.73 0.00 0.02 0.00 0.00 175.26 176.75 2jke s ALA 632 N -0.38 -1.98 -0.16 5.21 0.00 -1.26 -0.08 121.76 123.11 2jke s ALA 632 Ca -0.05 2.38 -0.04 0.00 0.00 0.00 0.00 51.96 54.25 2jke s ALA 632 Cb -0.03 -1.54 0.08 0.00 0.00 0.00 0.00 23.12 21.63 2jke s ALA 632 CO 0.00 -0.49 0.27 -2.00 0.00 0.00 0.00 175.76 173.54 2jke s GLU 633 N 1.84 0.19 0.27 0.00 2.56 -0.13 -4.43 118.70 119.01 2jke s GLU 633 Ca -0.09 0.58 -0.30 0.00 0.00 0.00 0.00 54.97 55.15 2jke s GLU 633 Cb -0.06 -0.41 -0.11 0.00 2.00 0.00 0.00 34.13 35.55 2jke s GLU 633 CO -0.19 -0.43 1.55 -1.25 -0.56 0.00 0.00 175.26 174.38 2jke s PRO 634 N 2.41 4.17 0.00 4.30 0.04 -1.26 -1.58 135.00 143.08 2jke s PRO 634 Ca 0.04 2.49 0.00 0.00 0.04 0.00 0.00 61.00 63.57 2jke s PRO 634 Cb -0.13 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.35 2jke s PRO 634 CO -0.10 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.77 2jke n GLY 635 N 2.29 1.44 1.34 0.56 0.00 -1.04 -4.80 105.19 104.98 2jke n GLY 635 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2jke n GLY 635 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jke n GLU 636 N -2.00 0.00 -3.54 1.61 1.02 -0.61 -4.62 120.64 112.50 2jke n GLU 636 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 2jke n GLU 636 Cb 0.00 -0.34 -0.05 0.00 -0.02 0.00 0.00 31.44 31.03 2jke n GLU 636 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 2jke s TYR 637 N -2.00 -0.50 -0.06 -0.32 -0.85 -0.80 -0.87 117.35 111.95 2jke s TYR 637 Ca 0.00 0.83 -0.03 0.00 -0.52 0.00 0.00 57.07 57.35 2jke s TYR 637 Cb 0.00 0.44 0.04 0.00 0.38 0.00 0.00 41.96 42.82 2jke s TYR 637 CO 0.00 -0.48 0.13 0.42 -1.52 0.00 0.00 175.55 174.10 2jke s ILE 638 N -1.30 -0.10 -0.09 -3.49 1.01 -0.59 -0.95 121.20 115.69 2jke s ILE 638 Ca -0.05 0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.84 2jke s ILE 638 Cb -0.00 -0.23 0.02 0.00 0.01 0.00 0.00 42.46 42.26 2jke s ILE 638 CO 0.05 0.10 -0.11 -0.89 0.00 0.00 0.00 174.94 174.08 2jke s THR 639 N 1.45 1.15 -0.01 2.92 2.01 0.89 -1.42 115.64 122.62 2jke s THR 639 Ca -0.06 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.52 2jke s THR 639 Cb -0.12 -1.09 0.00 0.00 0.01 0.00 0.00 72.50 71.31 2jke s THR 639 CO -0.05 0.37 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.58 2jke s ILE 640 N 1.07 0.30 -0.08 1.82 1.01 -0.38 -0.84 121.20 124.10 2jke s ILE 640 Ca -0.07 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.50 2jke s ILE 640 Cb -0.15 -0.28 -0.01 0.00 0.01 0.00 0.00 42.46 42.03 2jke s ILE 640 CO -0.01 0.10 -0.20 0.00 0.00 0.00 0.00 174.94 174.82 2jke s ALA 641 N 0.11 2.35 0.03 9.38 0.00 -0.27 -1.45 121.76 131.92 2jke s ALA 641 Ca -0.01 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.00 2jke s ALA 641 Cb -0.04 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 2jke s ALA 641 CO -0.00 0.38 -0.10 1.03 0.00 0.00 0.00 175.76 177.07 2jke s ARG 642 N -0.07 0.71 -0.31 0.00 0.52 0.29 -0.06 118.95 120.03 2jke s ARG 642 Ca -0.05 -0.63 -0.12 0.00 -0.52 0.00 0.00 55.73 54.41 2jke s ARG 642 Cb -0.14 -0.65 -0.03 0.00 0.52 0.00 0.00 34.95 34.65 2jke s ARG 642 CO 0.04 0.16 0.21 0.21 0.02 0.00 0.00 175.30 175.94 2jke s LYS 643 N -1.03 3.68 0.31 3.54 2.20 -0.02 -0.79 119.74 127.62 2jke s LYS 643 Ca -0.02 -0.51 -0.29 0.00 -0.36 0.00 0.00 55.97 54.79 2jke s LYS 643 Cb -0.07 -3.71 -0.10 0.00 -1.51 0.00 0.00 37.83 32.44 2jke s LYS 643 CO 0.01 -0.32 1.42 0.00 -0.36 0.00 0.00 175.35 176.10 2jke s ALA 644 N 1.72 3.59 0.16 3.13 0.00 -0.17 -0.51 121.76 129.69 2jke s ALA 644 Ca 0.06 1.38 -0.34 0.00 0.00 0.00 0.00 51.96 53.07 2jke s ALA 644 Cb -0.17 -3.55 -0.14 0.00 0.00 0.00 0.00 23.12 19.26 2jke s ALA 644 CO 0.10 -0.80 1.53 1.17 0.00 0.00 0.00 175.76 177.76 2jke n LYS 645 N 1.44 2.01 -1.97 0.00 4.81 -0.10 -1.48 118.16 122.88 2jke n LYS 645 Ca 0.04 0.72 -0.18 0.00 -0.87 0.00 0.00 58.31 58.02 2jke n LYS 645 Cb 0.40 -2.46 -0.04 0.00 0.02 0.00 0.00 35.03 32.95 2jke n LYS 645 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2jke n ASP 646 N 3.17 -5.14 -4.03 3.14 8.00 -1.26 -4.94 116.55 115.48 2jke n ASP 646 Ca 0.17 0.18 -0.21 0.00 0.71 0.00 0.00 54.79 55.64 2jke n ASP 646 Cb 0.28 -4.21 -0.09 0.00 -0.02 0.00 0.00 41.12 37.08 2jke n ASP 646 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2jke s THR 647 N -2.78 0.46 -0.36 -3.53 -4.23 -0.55 -5.02 115.64 99.62 2jke s THR 647 Ca 0.00 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.67 2jke s THR 647 Cb 0.00 -2.49 0.64 0.00 1.34 0.00 0.00 72.50 71.98 2jke s THR 647 CO 0.00 0.00 1.55 0.47 -0.54 0.00 0.00 174.62 176.10 2jke n ASP 648 N -1.04 4.55 -4.89 3.99 8.00 -1.26 -4.69 116.55 121.21 2jke n ASP 648 Ca -0.01 -2.86 -0.34 0.00 0.71 0.00 0.00 54.79 52.30 2jke n ASP 648 Cb 0.65 -0.57 -0.05 0.00 -0.02 0.00 0.00 41.12 41.12 2jke n ASP 648 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2jke s ASP 649 N -1.38 6.30 0.13 -2.24 1.01 -1.26 -4.22 116.67 115.01 2jke s ASP 649 Ca 0.46 0.35 0.10 0.00 0.71 0.00 0.00 52.55 54.17 2jke s ASP 649 Cb 0.35 -1.97 -0.04 0.00 1.01 0.00 0.00 42.92 42.27 2jke s ASP 649 CO 0.13 0.29 -0.25 0.26 0.21 0.00 0.00 175.17 175.82 2jke s TRP 650 N -1.25 2.19 -0.03 4.23 0.52 0.10 -1.00 118.94 123.70 2jke s TRP 650 Ca 0.24 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 56.01 2jke s TRP 650 Cb -0.12 -1.17 -0.00 0.00 -1.15 0.00 0.00 33.47 31.02 2jke s TRP 650 CO 0.15 0.33 -0.14 0.71 0.02 0.00 0.00 176.95 178.02 2jke s TYR 651 N -1.17 1.41 0.01 -1.98 2.02 0.03 -0.12 117.35 117.55 2jke s TYR 651 Ca 0.13 -0.36 0.07 0.00 -0.37 0.00 0.00 57.07 56.54 2jke s TYR 651 Cb -0.10 -0.95 -0.02 0.00 -0.40 0.00 0.00 41.96 40.49 2jke s TYR 651 CO 0.06 -0.11 -0.21 0.08 -1.57 0.00 0.00 175.55 173.80 2jke s VAL 652 N -0.02 1.71 0.02 0.71 1.01 0.06 -0.55 120.40 123.34 2jke s VAL 652 Ca -0.01 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.91 2jke s VAL 652 Cb -0.09 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 2jke s VAL 652 CO 0.01 0.36 -0.03 -0.83 0.00 0.00 0.00 175.10 174.61 2jke s GLY 653 N -0.82 0.23 -0.04 4.51 0.00 -0.53 -0.71 107.32 109.97 2jke s GLY 653 Ca 0.08 -0.57 0.02 0.00 0.00 0.00 0.00 44.72 44.26 2jke s GLY 653 CO 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 173.10 172.37 2jke s THR 655 N 0.34 1.64 0.13 0.00 -1.32 -0.51 -1.95 115.64 113.97 2jke s THR 655 Ca -0.06 -0.96 0.04 0.00 -1.21 0.00 0.00 61.69 59.50 2jke s THR 655 Cb -0.11 -1.37 -0.04 0.00 -1.51 0.00 0.00 72.50 69.46 2jke s THR 655 CO 0.01 0.40 -0.10 0.00 -2.21 0.00 0.00 174.62 172.72 2jke s ALA 656 N -0.56 1.34 0.57 11.08 0.00 -0.57 -1.55 121.76 132.07 2jke s ALA 656 Ca 0.08 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.61 2jke s ALA 656 Cb -0.08 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.10 2jke s ALA 656 CO -0.00 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.06 2jke n GLY 657 N -0.06 1.14 0.24 0.00 0.00 -0.05 -3.80 105.19 102.65 2jke n GLY 657 Ca -0.11 -1.69 0.09 0.00 0.00 0.00 0.00 46.02 44.30 2jke n GLY 657 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jke h GLU 658 N 0.00 0.00 -0.24 1.61 5.08 -1.86 -1.48 114.58 117.69 2jke h GLU 658 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jke h GLU 658 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2jke h GLU 658 CO 0.00 0.19 0.00 0.09 -1.00 0.00 0.00 179.01 178.29 2jke n ASN 659 N -3.86 2.89 -0.41 1.42 5.03 -1.26 -4.58 115.26 114.49 2jke n ASN 659 Ca -0.02 -1.91 0.00 0.00 0.87 0.00 0.00 54.58 53.52 2jke n ASN 659 Cb 0.28 -0.15 0.00 0.00 -1.02 0.00 0.00 39.78 38.90 2jke n ASN 659 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jke n GLY 660 N 1.38 -1.52 3.64 7.41 0.00 -0.82 -4.79 105.19 110.49 2jke n GLY 660 Ca 0.17 -1.23 -0.08 0.00 0.00 0.00 0.00 46.02 44.88 2jke n GLY 660 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jke s HIS 661 N 0.00 -0.67 -0.23 1.61 2.46 0.06 -4.58 115.29 113.94 2jke s HIS 661 Ca 0.00 1.49 -0.09 0.00 0.47 0.00 0.00 55.06 56.93 2jke s HIS 661 Cb 0.00 0.39 -0.04 0.00 -0.13 0.00 0.00 32.58 32.79 2jke s HIS 661 CO 0.00 -0.33 0.12 0.99 -2.47 0.00 0.00 174.74 173.06 2jke s THR 662 N 0.76 5.03 -0.08 0.89 2.01 -1.26 0.31 115.64 123.29 2jke s THR 662 Ca -0.03 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.03 2jke s THR 662 Cb -0.05 -3.33 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 2jke s THR 662 CO -0.09 0.36 -0.02 -0.44 -0.69 0.00 0.00 174.62 173.75 2jke s SER 663 N 1.04 5.09 -0.65 3.53 0.01 0.32 -4.99 113.70 118.05 2jke s SER 663 Ca 0.06 0.10 -0.02 0.00 1.31 0.00 0.00 55.95 57.41 2jke s SER 663 Cb -0.14 -1.40 0.17 0.00 0.21 0.00 0.00 66.02 64.86 2jke s SER 663 CO 0.04 0.37 0.47 -0.54 0.41 0.00 0.00 173.24 173.99 2jke s LYS 664 N -0.86 2.59 0.20 12.44 1.02 -1.26 -1.33 119.74 132.54 2jke s LYS 664 Ca 0.13 -2.68 -0.28 0.00 0.02 0.00 0.00 55.97 53.16 2jke s LYS 664 Cb -0.11 -3.70 -0.08 0.00 -0.52 0.00 0.00 37.83 33.42 2jke s LYS 664 CO 0.02 -1.18 0.86 -0.51 -0.92 0.00 0.00 175.35 173.62 2jke s LEU 665 N -0.34 4.62 -0.20 3.17 1.43 0.87 -4.90 118.68 123.33 2jke s LEU 665 Ca 0.19 1.80 0.01 0.00 -1.03 0.00 0.00 54.13 55.10 2jke s LEU 665 Cb -0.19 -3.46 0.04 0.00 0.03 0.00 0.00 46.19 42.61 2jke s LEU 665 CO -0.05 0.18 -0.14 -0.69 0.23 0.00 0.00 176.35 175.89 2jke s VAL 666 N -1.16 1.86 -0.34 -1.59 1.01 -1.26 -1.47 120.40 117.44 2jke s VAL 666 Ca 0.38 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 2jke s VAL 666 Cb -0.25 -1.84 0.15 0.00 0.00 0.00 0.00 36.38 34.44 2jke s VAL 666 CO 0.29 0.26 2.30 0.49 0.00 0.00 0.00 175.10 178.44 2jke n PHE 667 N 4.62 1.47 1.77 5.22 3.72 -0.76 -4.47 117.46 129.03 2jke n PHE 667 Ca -0.17 -1.93 0.15 0.00 -0.05 0.00 0.00 57.45 55.46 2jke n PHE 667 Cb 0.47 -1.10 0.87 0.00 -0.94 0.00 0.00 39.48 38.78 2jke n PHE 667 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2jke n ASP 668 N 0.60 0.00 0.01 4.37 5.75 -1.24 -2.70 116.55 123.34 2jke n ASP 668 Ca 0.35 -0.68 0.14 0.00 -0.01 0.00 0.00 54.79 54.59 2jke n ASP 668 Cb 0.58 -0.10 0.58 0.00 -1.03 0.00 0.00 41.12 41.15 2jke n ASP 668 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 2jke n PHE 669 N -1.10 0.08 -1.47 2.11 1.16 -1.26 -4.86 117.46 112.12 2jke n PHE 669 Ca 0.20 0.02 -0.30 0.00 -1.87 0.00 0.00 57.45 55.50 2jke n PHE 669 Cb 0.15 -0.52 0.09 0.00 -1.61 0.00 0.00 39.48 37.59 2jke n PHE 669 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2jke s LEU 670 N -3.14 2.69 0.05 5.98 1.43 -1.10 -4.99 118.68 119.60 2jke s LEU 670 Ca 0.13 1.45 -0.30 0.00 -1.03 0.00 0.00 54.13 54.38 2jke s LEU 670 Cb 0.18 -4.09 -0.05 0.00 0.03 0.00 0.00 46.19 42.26 2jke s LEU 670 CO 0.55 -1.98 1.10 -0.89 0.23 0.00 0.00 176.35 175.35 2jke s THR 671 N -3.07 4.35 0.24 5.49 2.01 -1.26 -4.69 115.64 118.71 2jke s THR 671 Ca 0.61 1.73 -0.31 0.00 0.31 0.00 0.00 61.69 64.02 2jke s THR 671 Cb -0.15 -4.11 -0.13 0.00 0.01 0.00 0.00 72.50 68.12 2jke s THR 671 CO 0.55 0.16 1.46 -2.65 -0.69 0.00 0.00 174.62 173.45 2jke n PRO 672 N 3.69 2.18 -0.42 4.92 -0.02 -1.26 -2.29 135.00 141.80 2jke n PRO 672 Ca 0.07 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 2jke n PRO 672 Cb 0.48 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 2jke n PRO 672 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jke n GLY 673 N 2.26 1.51 3.92 -1.23 0.00 -1.26 -5.03 105.19 105.36 2jke n GLY 673 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2jke n GLY 673 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jke s LYS 674 N -0.24 3.54 0.01 1.61 -0.14 -0.97 -5.11 119.74 118.44 2jke s LYS 674 Ca 0.00 -0.28 0.03 0.00 -1.36 0.00 0.00 55.97 54.36 2jke s LYS 674 Cb 0.00 -2.89 -0.03 0.00 -1.68 0.00 0.00 37.83 33.23 2jke s LYS 674 CO 0.00 0.47 -0.06 -0.65 -0.76 0.00 0.00 175.35 174.36 2jke s GLN 675 N -2.92 2.56 0.04 1.68 -1.52 -1.26 -4.59 119.66 113.65 2jke s GLN 675 Ca 0.39 -0.72 0.05 0.00 -1.95 0.00 0.00 55.36 53.12 2jke s GLN 675 Cb -0.12 -2.52 -0.02 0.00 -0.22 0.00 0.00 33.01 30.13 2jke s GLN 675 CO 0.27 0.60 -0.14 0.71 -0.25 0.00 0.00 175.29 176.48 2jke s TYR 676 N -1.03 1.22 -0.40 0.91 2.02 -0.54 -0.80 117.35 118.72 2jke s TYR 676 Ca 0.18 -0.35 -0.22 0.00 -0.37 0.00 0.00 57.07 56.31 2jke s TYR 676 Cb -0.11 -0.73 0.02 0.00 -0.40 0.00 0.00 41.96 40.74 2jke s TYR 676 CO 0.09 0.03 0.72 0.42 -1.57 0.00 0.00 175.55 175.23 2jke s ILE 677 N -0.82 4.77 -0.11 2.71 -1.09 0.12 -1.26 121.20 125.52 2jke s ILE 677 Ca 0.02 0.50 -0.01 0.00 -2.23 0.00 0.00 60.65 58.92 2jke s ILE 677 Cb -0.08 -4.21 -0.03 0.00 -1.58 0.00 0.00 42.46 36.56 2jke s ILE 677 CO 0.01 -0.53 -0.04 0.00 -1.23 0.00 0.00 174.94 173.15 2jke s ALA 678 N 3.00 3.04 -0.14 9.38 0.00 0.05 -1.03 121.76 136.07 2jke s ALA 678 Ca 0.27 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.40 2jke s ALA 678 Cb -0.13 -1.40 0.02 0.00 0.00 0.00 0.00 23.12 21.60 2jke s ALA 678 CO 0.19 0.43 -0.18 0.99 0.00 0.00 0.00 175.76 177.19 2jke s THR 679 N -0.35 1.76 -0.28 0.00 2.01 -0.08 -1.28 115.64 117.42 2jke s THR 679 Ca 0.06 -0.78 -0.09 0.00 0.31 0.00 0.00 61.69 61.19 2jke s THR 679 Cb -0.12 -1.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.77 2jke s THR 679 CO 0.02 0.49 0.12 -0.69 -0.69 0.00 0.00 174.62 173.88 2jke s VAL 680 N 1.12 4.54 -0.40 3.82 1.01 0.63 -1.62 120.40 129.51 2jke s VAL 680 Ca -0.02 -0.28 -0.12 0.00 0.00 0.00 0.00 61.98 61.56 2jke s VAL 680 Cb -0.14 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 33.05 2jke s VAL 680 CO -0.06 0.19 0.25 -0.31 0.00 0.00 0.00 175.10 175.16 2jke s TYR 681 N 1.62 3.26 0.16 5.22 2.02 0.73 -1.53 117.35 128.83 2jke s TYR 681 Ca 0.05 -0.99 0.04 0.00 -0.37 0.00 0.00 57.07 55.81 2jke s TYR 681 Cb -0.16 -2.60 -0.05 0.00 -0.40 0.00 0.00 41.96 38.75 2jke s TYR 681 CO 0.06 -0.68 -0.08 0.00 -1.57 0.00 0.00 175.55 173.27 2jke s ALA 682 N 1.56 1.50 0.25 3.71 0.00 -0.48 -1.08 121.76 127.23 2jke s ALA 682 Ca 0.03 -1.53 -0.30 0.00 0.00 0.00 0.00 51.96 50.15 2jke s ALA 682 Cb -0.20 0.13 -0.10 0.00 0.00 0.00 0.00 23.12 22.94 2jke s ALA 682 CO 0.07 -0.13 1.50 -0.51 0.00 0.00 0.00 175.76 176.69 2jke s ASP 683 N -3.19 6.56 0.82 0.00 1.01 -1.24 -0.36 116.67 120.28 2jke s ASP 683 Ca 0.19 2.75 -0.11 0.00 0.71 0.00 0.00 52.55 56.09 2jke s ASP 683 Cb 0.03 -2.62 0.09 0.00 1.01 0.00 0.00 42.92 41.42 2jke s ASP 683 CO 0.02 -0.78 1.10 0.00 0.21 0.00 0.00 175.17 175.72 2jke s ALA 684 N 0.10 1.97 0.27 5.23 0.00 -0.77 -4.63 121.76 123.93 2jke s ALA 684 Ca 0.61 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 2jke s ALA 684 Cb -0.44 -3.30 -0.13 0.00 0.00 0.00 0.00 23.12 19.25 2jke s ALA 684 CO 0.43 -2.07 1.36 1.17 0.00 0.00 0.00 175.76 176.65 2jke n LYS 685 N -3.73 2.02 -1.23 0.00 3.00 -1.26 -1.44 118.16 115.52 2jke n LYS 685 Ca 0.09 0.72 -0.08 0.00 -0.00 0.00 0.00 58.31 59.04 2jke n LYS 685 Cb 0.53 -2.34 -0.03 0.00 0.00 0.00 0.00 35.03 33.19 2jke n LYS 685 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2jke n ASP 686 N 1.75 -5.40 -4.57 3.14 9.92 -1.26 -5.00 116.55 115.13 2jke n ASP 686 Ca 0.10 0.20 -0.34 0.00 -0.53 0.00 0.00 54.79 54.21 2jke n ASP 686 Cb 0.33 -3.60 0.11 0.00 -0.64 0.00 0.00 41.12 37.32 2jke n ASP 686 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jke n ALA 687 N 1.15 -0.96 -3.63 2.24 0.00 -0.52 -4.73 120.51 114.06 2jke n ALA 687 Ca -0.08 -0.36 -0.11 0.00 0.00 0.00 0.00 53.44 52.89 2jke n ALA 687 Cb 0.50 -2.05 -0.07 0.00 0.00 0.00 0.00 19.45 17.83 2jke n ALA 687 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jke s ASP 688 N -1.92 -0.61 0.31 0.00 2.15 0.43 -4.53 116.67 112.49 2jke s ASP 688 Ca 0.68 1.17 -0.01 0.00 0.43 0.00 0.00 52.55 54.82 2jke s ASP 688 Cb -0.29 1.19 0.47 0.00 -0.30 0.00 0.00 42.92 43.99 2jke s ASP 688 CO 0.56 -0.20 1.95 4.11 -0.17 0.00 0.00 175.17 181.42 2jke h TRP 689 N 4.72 0.95 0.00 -5.34 5.08 -1.56 -1.27 115.95 118.53 2jke h TRP 689 Ca -0.29 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.62 2jke h TRP 689 Cb 1.17 -0.31 -0.01 0.00 -3.00 0.00 0.00 29.16 27.01 2jke h TRP 689 CO 0.34 0.64 -0.44 -0.22 -1.28 0.00 0.00 178.44 177.48 2jke h LYS 690 N 1.00 0.00 0.00 0.12 3.64 -1.87 -3.38 116.57 116.08 2jke h LYS 690 Ca 0.26 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.55 2jke h LYS 690 Cb -0.03 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2jke h LYS 690 CO -0.05 0.64 -1.30 0.39 -2.27 0.00 0.00 179.45 176.85 2jke n GLU 691 N -4.60 0.62 -2.86 1.90 -0.58 -1.24 -4.67 120.64 109.21 2jke n GLU 691 Ca -0.14 0.15 -0.11 0.00 -0.42 0.00 0.00 57.16 56.64 2jke n GLU 691 Cb 0.40 -1.79 0.01 0.00 -0.57 0.00 0.00 31.44 29.50 2jke n GLU 691 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2jke n ASN 692 N -2.76 -2.27 0.16 1.62 5.15 -0.65 -4.93 115.26 111.58 2jke n ASN 692 Ca -0.06 -3.10 0.09 0.00 -0.60 0.00 0.00 54.58 50.91 2jke n ASN 692 Cb 0.71 1.24 0.08 0.00 -0.53 0.00 0.00 39.78 41.28 2jke n ASN 692 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2jke h PRO 693 N 4.19 0.00 -0.64 1.20 0.13 -1.44 0.12 132.00 135.56 2jke h PRO 693 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2jke h PRO 693 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2jke h PRO 693 CO 0.32 0.14 0.00 1.04 -0.23 0.00 0.00 178.00 179.27 2jke n GLN 694 N -3.03 2.48 -3.05 0.86 6.02 -1.26 -0.80 117.38 118.59 2jke n GLN 694 Ca 0.02 -2.29 -0.42 0.00 -0.01 0.00 0.00 57.00 54.29 2jke n GLN 694 Cb 0.61 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.31 2jke n GLN 694 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jke s ALA 695 N -1.16 3.40 0.08 -1.58 0.00 -1.25 -4.93 121.76 116.31 2jke s ALA 695 Ca 0.43 -0.91 -0.04 0.00 0.00 0.00 0.00 51.96 51.44 2jke s ALA 695 Cb 0.22 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 2jke s ALA 695 CO 0.29 -1.57 0.06 1.52 0.00 0.00 0.00 175.76 176.06 2jke s TYR 696 N 2.92 0.45 0.18 0.00 -0.85 -1.26 -1.85 117.35 116.94 2jke s TYR 696 Ca 0.26 -0.94 0.09 0.00 -0.52 0.00 0.00 57.07 55.97 2jke s TYR 696 Cb -0.14 -0.29 -0.04 0.00 0.38 0.00 0.00 41.96 41.87 2jke s TYR 696 CO 0.18 -0.46 -0.20 0.95 -1.52 0.00 0.00 175.55 174.49 2jke s THR 697 N -3.92 1.98 -0.08 -3.49 -4.23 0.51 -4.64 115.64 101.76 2jke s THR 697 Ca 0.09 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 2jke s THR 697 Cb 0.07 -1.93 0.02 0.00 1.34 0.00 0.00 72.50 72.00 2jke s THR 697 CO -0.08 -0.27 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.03 2jke s ILE 698 N -1.97 0.86 -0.05 2.99 1.01 -1.26 -1.38 121.20 121.41 2jke s ILE 698 Ca 0.17 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.62 2jke s ILE 698 Cb -0.06 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.54 2jke s ILE 698 CO 0.08 0.32 -0.13 -0.54 0.00 0.00 0.00 174.94 174.66 2jke s LYS 699 N 1.36 1.62 -0.04 2.79 1.02 -0.58 -4.96 119.74 120.94 2jke s LYS 699 Ca -0.02 -0.47 0.07 0.00 0.02 0.00 0.00 55.97 55.56 2jke s LYS 699 Cb -0.14 -1.38 -0.02 0.00 -0.52 0.00 0.00 37.83 35.78 2jke s LYS 699 CO -0.03 0.12 -0.24 0.21 -0.92 0.00 0.00 175.35 174.48 2jke s LYS 700 N 0.37 2.40 0.00 1.68 2.20 -1.26 -0.27 119.74 124.85 2jke s LYS 700 Ca -0.09 -0.90 0.00 0.00 -0.36 0.00 0.00 55.97 54.62 2jke s LYS 700 Cb -0.13 -2.14 0.00 0.00 -1.51 0.00 0.00 37.83 34.05 2jke s LYS 700 CO 0.03 0.46 0.00 0.41 -0.36 0.00 0.00 175.35 175.89 2jke n GLY 701 N 2.72 1.80 3.63 5.54 0.00 -0.40 -5.01 105.19 113.48 2jke n GLY 701 Ca -0.17 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 2jke n GLY 701 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jke s ILE 702 N -2.64 4.18 0.16 -0.61 -1.09 -1.26 -0.77 121.20 119.17 2jke s ILE 702 Ca 0.00 -0.29 0.10 0.00 -2.23 0.00 0.00 60.65 58.24 2jke s ILE 702 Cb 0.00 -2.77 -0.04 0.00 -1.58 0.00 0.00 42.46 38.06 2jke s ILE 702 CO 0.00 0.57 -0.23 -0.76 -1.23 0.00 0.00 174.94 173.29 2jke s LEU 703 N -0.56 2.39 0.00 2.97 1.43 -0.39 -4.91 118.68 119.61 2jke s LEU 703 Ca 0.09 -0.81 0.07 0.00 -1.03 0.00 0.00 54.13 52.44 2jke s LEU 703 Cb -0.12 -1.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.98 2jke s LEU 703 CO 0.02 0.10 0.24 0.35 0.23 0.00 0.00 176.35 177.29 2jke n THR 704 N 0.54 0.00 0.76 5.49 -2.24 -1.26 -1.46 114.28 116.10 2jke n THR 704 Ca -0.15 -2.50 0.06 0.00 -2.27 0.00 0.00 64.05 59.20 2jke n THR 704 Cb 0.55 1.12 0.36 0.00 -2.10 0.00 0.00 70.33 70.26 2jke n THR 704 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2jke n ASN 705 N -1.59 0.00 -0.66 3.42 6.94 -1.25 -1.41 115.26 120.70 2jke n ASN 705 Ca 0.03 -0.31 0.11 0.00 -0.02 0.00 0.00 54.58 54.39 2jke n ASN 705 Cb 0.63 -0.05 0.05 0.00 -2.36 0.00 0.00 39.78 38.05 2jke n ASN 705 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2jke n LYS 706 N -1.05 1.62 -2.30 -3.83 4.76 -1.26 -3.73 118.16 112.37 2jke n LYS 706 Ca 0.09 -1.33 -0.33 0.00 -2.87 0.00 0.00 58.31 53.87 2jke n LYS 706 Cb 0.05 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 31.75 2jke n LYS 706 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2jke s SER 707 N -2.30 6.29 0.01 4.39 0.15 -0.50 -4.94 113.70 116.81 2jke s SER 707 Ca 0.22 1.71 -0.01 0.00 0.70 0.00 0.00 55.95 58.58 2jke s SER 707 Cb 0.19 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.96 2jke s SER 707 CO 0.47 -0.82 -0.01 -0.54 1.20 0.00 0.00 173.24 173.54 2jke s LYS 708 N -3.93 0.28 -0.01 5.44 1.02 -1.26 -1.82 119.74 119.46 2jke s LYS 708 Ca 0.62 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 56.12 2jke s LYS 708 Cb -0.13 0.10 0.01 0.00 -0.52 0.00 0.00 37.83 37.29 2jke s LYS 708 CO 0.31 -0.05 0.01 -0.51 -0.92 0.00 0.00 175.35 174.19 2jke s LEU 709 N -1.21 1.66 -0.23 3.17 1.43 -0.54 -4.98 118.68 117.97 2jke s LEU 709 Ca -0.13 0.01 -0.10 0.00 -1.03 0.00 0.00 54.13 52.88 2jke s LEU 709 Cb -0.08 -0.04 -0.05 0.00 0.03 0.00 0.00 46.19 46.05 2jke s LEU 709 CO -0.01 -0.04 0.14 0.20 0.23 0.00 0.00 176.35 176.87 2jke s ASN 710 N 0.39 6.03 0.02 2.29 0.01 -1.26 -0.09 114.94 122.33 2jke s ASN 710 Ca -0.03 0.10 0.03 0.00 -0.71 0.00 0.00 52.86 52.25 2jke s ASN 710 Cb -0.05 -2.08 -0.01 0.00 0.41 0.00 0.00 41.25 39.51 2jke s ASN 710 CO -0.01 0.08 -0.09 -0.76 -1.51 0.00 0.00 177.10 174.81 2jke s LEU 711 N 0.97 2.11 -0.17 0.60 1.43 -0.44 -5.00 118.68 118.17 2jke s LEU 711 Ca 0.07 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 2jke s LEU 711 Cb -0.13 -0.39 0.02 0.00 0.03 0.00 0.00 46.19 45.71 2jke s LEU 711 CO 0.04 0.01 -0.20 -2.28 0.23 0.00 0.00 176.35 174.15 2jke s HIS 712 N -0.61 2.75 -0.04 0.29 5.65 -1.26 -0.52 115.29 121.56 2jke s HIS 712 Ca -0.00 -1.53 -0.28 0.00 0.25 0.00 0.00 55.06 53.50 2jke s HIS 712 Cb -0.06 -1.90 -0.03 0.00 -1.18 0.00 0.00 32.58 29.42 2jke s HIS 712 CO 0.00 -0.74 0.88 0.00 -0.65 0.00 0.00 174.74 174.23 2jke s ALA 713 N 1.15 3.25 1.16 1.58 0.00 0.15 -4.58 121.76 124.47 2jke s ALA 713 Ca 0.01 0.37 -0.18 0.00 0.00 0.00 0.00 51.96 52.17 2jke s ALA 713 Cb -0.14 -3.21 0.27 0.00 0.00 0.00 0.00 23.12 20.04 2jke s ALA 713 CO -0.09 -0.22 1.12 0.00 0.00 0.00 0.00 175.76 176.56 2jke s ALA 714 N 1.04 0.74 -0.20 0.00 0.00 -1.26 -0.76 121.76 121.32 2jke s ALA 714 Ca 0.46 -0.87 -0.30 0.00 0.00 0.00 0.00 51.96 51.25 2jke s ALA 714 Cb -0.20 -2.92 -0.07 0.00 0.00 0.00 0.00 23.12 19.93 2jke s ALA 714 CO 0.23 -3.41 2.16 -1.71 0.00 0.00 0.00 175.76 173.03 2jke n ASN 715 N -4.61 3.20 -1.21 0.00 5.15 -1.26 -0.37 115.26 116.15 2jke n ASN 715 Ca 0.12 0.40 -0.12 0.00 -0.60 0.00 0.00 54.58 54.37 2jke n ASN 715 Cb 0.59 -1.49 -0.03 0.00 -0.53 0.00 0.00 39.78 38.33 2jke n ASN 715 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jke n GLY 716 N 5.63 0.46 0.00 8.20 0.00 -0.62 -1.65 105.19 117.21 2jke n GLY 716 Ca 0.30 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2jke n GLY 716 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jke n GLY 717 N -1.20 5.22 0.00 -0.02 0.00 0.50 -1.40 105.19 108.29 2jke n GLY 717 Ca -0.14 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.79 2jke n GLY 717 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jke n GLY 718 N 5.00 -1.06 3.55 -0.02 0.00 -1.26 -1.51 105.19 109.88 2jke n GLY 718 Ca 0.00 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 2jke n GLY 718 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jke s TYR 719 N -3.00 -0.25 0.01 1.61 -0.85 -0.82 -3.61 117.35 110.43 2jke s TYR 719 Ca 0.00 -0.07 0.00 0.00 -0.52 0.00 0.00 57.07 56.48 2jke s TYR 719 Cb 0.00 0.49 -0.01 0.00 0.38 0.00 0.00 41.96 42.83 2jke s TYR 719 CO 0.00 -0.95 -0.02 0.00 -1.52 0.00 0.00 175.55 173.06 2jke s ALA 720 N -3.84 0.14 -0.05 9.51 0.00 -0.24 -1.06 121.76 126.21 2jke s ALA 720 Ca 0.07 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 51.80 2jke s ALA 720 Cb -0.02 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.14 2jke s ALA 720 CO -0.04 -0.02 -0.04 0.42 0.00 0.00 0.00 175.76 176.07 2jke s ILE 721 N -0.47 0.54 -0.12 0.00 1.01 0.12 -0.19 121.20 122.08 2jke s ILE 721 Ca -0.04 -0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.39 2jke s ILE 721 Cb -0.03 -0.57 -0.05 0.00 0.01 0.00 0.00 42.46 41.82 2jke s ILE 721 CO -0.00 0.23 0.22 -0.94 0.00 0.00 0.00 174.94 174.44 2jke s SER 722 N 0.97 6.43 -0.37 3.58 1.04 -0.64 -0.76 113.70 123.95 2jke s SER 722 Ca -0.10 0.51 0.01 0.00 0.48 0.00 0.00 55.95 56.85 2jke s SER 722 Cb -0.14 -2.13 0.12 0.00 0.10 0.00 0.00 66.02 63.97 2jke s SER 722 CO -0.00 0.28 0.17 -0.63 0.98 0.00 0.00 173.24 174.04 2jke s ILE 723 N -0.44 1.10 -0.17 -1.02 1.01 0.83 -0.90 121.20 121.61 2jke s ILE 723 Ca 0.15 -1.98 -0.07 0.00 0.00 0.00 0.00 60.65 58.76 2jke s ILE 723 Cb -0.13 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 2jke s ILE 723 CO 0.04 -0.80 0.04 -0.54 0.00 0.00 0.00 174.94 173.69 2jke s LYS 724 N 0.98 3.89 0.24 2.79 1.02 -0.19 -0.72 119.74 127.74 2jke s LYS 724 Ca 0.14 -0.37 -0.30 0.00 0.02 0.00 0.00 55.97 55.45 2jke s LYS 724 Cb -0.21 -3.15 -0.10 0.00 -0.52 0.00 0.00 37.83 33.85 2jke s LYS 724 CO -0.11 0.29 1.51 -2.00 -0.92 0.00 0.00 175.35 174.12 2jke s GLU 725 N 0.30 4.22 0.00 1.68 2.12 -1.26 0.12 118.70 125.88 2jke s GLU 725 Ca 0.02 2.38 0.00 0.00 0.36 0.00 0.00 54.97 57.74 2jke s GLU 725 Cb -0.13 -3.10 0.01 0.00 0.26 0.00 0.00 34.13 31.17 2jke s GLU 725 CO 0.01 -0.52 0.51 0.28 -0.54 0.00 0.00 175.26 175.00