#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ekr s GLN 10 N 0.00 3.89 0.48 -0.67 -1.52 -1.26 -5.07 119.66 115.50 3ekr s GLN 10 Ca 0.00 -0.01 -0.23 0.00 -1.95 0.00 0.00 55.36 53.17 3ekr s GLN 10 Cb 0.00 -3.31 -0.07 0.00 -0.22 0.00 0.00 33.01 29.42 3ekr s GLN 10 CO 0.00 0.52 1.22 -1.25 -0.25 0.00 0.00 175.29 175.53 3ekr s PRO 11 N -0.34 3.61 0.40 2.91 0.04 -1.26 -4.91 135.00 135.45 3ekr s PRO 11 Ca 0.15 1.91 0.07 0.00 0.04 0.00 0.00 61.00 63.18 3ekr s PRO 11 Cb -0.13 -2.39 0.83 0.00 0.04 0.00 0.00 34.50 32.86 3ekr s PRO 11 CO 0.04 -0.71 2.03 0.52 0.04 0.00 0.00 177.00 178.91 3ekr h MET 12 N 1.94 0.49 -2.41 4.56 2.86 -2.10 -3.45 114.93 116.82 3ekr h MET 12 Ca -0.50 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.01 3ekr h MET 12 Cb 1.26 -0.10 -0.21 0.00 0.06 0.00 0.00 31.60 32.60 3ekr h MET 12 CO 0.60 0.37 -0.04 -2.00 1.06 0.00 0.00 176.91 176.89 3ekr s GLU 13 N -5.34 0.74 -0.03 1.72 2.56 -1.26 -5.15 118.70 111.94 3ekr s GLU 13 Ca -0.08 0.49 0.01 0.00 0.00 0.00 0.00 54.97 55.40 3ekr s GLU 13 Cb 0.17 0.35 0.02 0.00 2.00 0.00 0.00 34.13 36.67 3ekr s GLU 13 CO 0.73 -0.15 -0.05 -1.21 -0.56 0.00 0.00 175.26 174.02 3ekr s GLU 14 N -0.31 0.77 0.03 4.30 2.02 -1.26 -5.16 118.70 119.09 3ekr s GLU 14 Ca -0.05 -0.14 -0.28 0.00 0.02 0.00 0.00 54.97 54.53 3ekr s GLU 14 Cb -0.03 -0.77 0.07 0.00 0.10 0.00 0.00 34.13 33.50 3ekr s GLU 14 CO 0.03 -0.03 0.67 -1.83 0.02 0.00 0.00 175.26 174.13 3ekr s GLU 15 N 0.66 1.12 0.29 1.61 -1.05 -1.26 -5.15 118.70 114.92 3ekr s GLU 15 Ca -0.09 -0.06 -0.29 0.00 -0.15 0.00 0.00 54.97 54.39 3ekr s GLU 15 Cb -0.12 0.52 -0.09 0.00 -0.44 0.00 0.00 34.13 34.00 3ekr s GLU 15 CO 0.00 -0.42 1.05 -1.21 0.95 0.00 0.00 175.26 175.63 3ekr s GLU 16 N -2.28 4.63 -0.19 -4.83 0.41 -1.26 -5.05 118.70 110.12 3ekr s GLU 16 Ca -0.05 1.67 -0.01 0.00 -0.41 0.00 0.00 54.97 56.17 3ekr s GLU 16 Cb -0.00 -3.11 0.00 0.00 -1.78 0.00 0.00 34.13 29.24 3ekr s GLU 16 CO -0.00 0.24 -0.12 0.08 -0.49 0.00 0.00 175.26 174.97 3ekr s VAL 17 N -1.25 2.76 -0.11 2.63 1.01 -1.26 -4.45 120.40 119.73 3ekr s VAL 17 Ca 0.46 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 3ekr s VAL 17 Cb -0.29 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 3ekr s VAL 17 CO 0.36 0.48 0.07 -1.61 0.00 0.00 0.00 175.10 174.41 3ekr s GLU 18 N 1.27 3.28 -0.15 2.72 2.02 -0.42 -4.97 118.70 122.45 3ekr s GLU 18 Ca 0.03 -0.28 -0.01 0.00 0.02 0.00 0.00 54.97 54.73 3ekr s GLU 18 Cb -0.14 -3.00 -0.01 0.00 0.10 0.00 0.00 34.13 31.07 3ekr s GLU 18 CO -0.06 0.69 -0.12 0.99 0.02 0.00 0.00 175.26 176.78 3ekr s THR 19 N -0.82 3.01 0.03 3.63 2.01 -1.26 -0.54 115.64 121.70 3ekr s THR 19 Ca 0.13 -0.66 0.08 0.00 0.31 0.00 0.00 61.69 61.54 3ekr s THR 19 Cb -0.12 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.08 3ekr s THR 19 CO 0.03 0.51 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.90 3ekr s PHE 20 N 0.60 2.47 0.19 4.92 0.40 0.42 -4.97 117.98 122.01 3ekr s PHE 20 Ca -0.07 -0.31 -0.29 0.00 -0.60 0.00 0.00 56.93 55.65 3ekr s PHE 20 Cb -0.16 -1.45 -0.08 0.00 0.51 0.00 0.00 43.02 41.84 3ekr s PHE 20 CO 0.03 0.19 0.91 0.00 0.70 0.00 0.00 175.22 177.05 3ekr s ALA 21 N -0.85 3.34 0.65 5.36 0.00 -1.26 -0.80 121.76 128.18 3ekr s ALA 21 Ca 0.13 0.55 -0.17 0.00 0.00 0.00 0.00 51.96 52.47 3ekr s ALA 21 Cb -0.10 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 3ekr s ALA 21 CO 0.03 0.16 1.20 -0.06 0.00 0.00 0.00 175.76 177.09 3ekr s PHE 22 N -0.83 2.30 0.51 0.00 0.08 -0.57 -4.66 117.98 114.81 3ekr s PHE 22 Ca 0.41 1.55 -0.23 0.00 0.12 0.00 0.00 56.93 58.78 3ekr s PHE 22 Cb -0.25 -3.44 -0.06 0.00 -0.57 0.00 0.00 43.02 38.70 3ekr s PHE 22 CO 0.30 -2.29 1.38 -1.14 -0.10 0.00 0.00 175.22 173.37 3ekr s GLN 23 N -3.62 3.33 0.21 0.44 -0.44 0.09 -4.72 119.66 114.94 3ekr s GLN 23 Ca 0.75 2.29 -0.13 0.00 -2.50 0.00 0.00 55.36 55.77 3ekr s GLN 23 Cb -0.29 -2.39 0.23 0.00 -1.64 0.00 0.00 33.01 28.92 3ekr s GLN 23 CO 0.38 -1.06 1.63 0.00 0.50 0.00 0.00 175.29 176.75 3ekr h ALA 24 N 1.76 0.42 -0.09 1.58 0.00 -1.93 -0.30 119.26 120.69 3ekr h ALA 24 Ca -0.51 0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 3ekr h ALA 24 Cb 1.29 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 3ekr h ALA 24 CO 0.59 -0.43 -0.54 0.93 0.00 0.00 0.00 179.25 179.80 3ekr h GLU 25 N 0.01 0.27 -0.50 0.00 3.07 -1.98 -1.72 114.58 113.71 3ekr h GLU 25 Ca 0.30 -0.16 -0.04 0.00 -0.50 0.00 0.00 59.36 58.96 3ekr h GLU 25 Cb 0.46 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 3ekr h GLU 25 CO -0.62 0.74 0.18 0.82 -1.40 0.00 0.00 179.01 178.72 3ekr h ILE 26 N 0.21 1.22 -0.77 3.13 1.08 -1.52 0.12 117.51 120.98 3ekr h ILE 26 Ca 0.00 -0.72 -0.02 0.00 -0.39 0.00 0.00 64.86 63.73 3ekr h ILE 26 Cb 1.02 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 35.48 3ekr h ILE 26 CO 0.09 0.27 0.41 0.00 -0.69 0.00 0.00 178.15 178.23 3ekr h ALA 27 N 1.03 0.98 -0.38 1.87 0.00 -0.87 -0.23 119.26 121.67 3ekr h ALA 27 Ca 0.16 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3ekr h ALA 27 Cb 0.24 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3ekr h ALA 27 CO -0.01 0.50 -0.22 1.96 0.00 0.00 0.00 179.25 181.48 3ekr h GLN 28 N 1.06 0.74 -0.29 0.00 4.20 -1.09 -1.95 115.11 117.79 3ekr h GLN 28 Ca 0.27 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3ekr h GLN 28 Cb 0.05 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3ekr h GLN 28 CO -0.04 0.90 0.16 1.25 -0.67 0.00 0.00 178.83 180.42 3ekr h LEU 29 N 0.65 0.36 -1.27 1.46 5.85 -0.25 -1.50 115.31 120.61 3ekr h LEU 29 Ca 0.09 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3ekr h LEU 29 Cb 0.72 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3ekr h LEU 29 CO 0.06 0.34 0.04 0.24 -0.34 0.00 0.00 178.44 178.77 3ekr h MET 30 N 0.35 0.53 -0.30 1.25 2.86 -0.88 -0.71 114.93 118.04 3ekr h MET 30 Ca 0.10 -0.10 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 3ekr h MET 30 Cb 0.06 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3ekr h MET 30 CO -0.02 0.53 -0.24 1.03 1.06 0.00 0.00 176.91 179.28 3ekr h SER 31 N 0.51 0.72 -0.37 1.22 0.87 -1.07 -1.25 113.55 114.19 3ekr h SER 31 Ca 0.11 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 3ekr h SER 31 Cb 0.28 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 3ekr h SER 31 CO 0.00 1.02 0.24 -0.07 -0.53 0.00 0.00 176.83 177.49 3ekr h LEU 32 N 0.43 0.43 -0.56 2.23 3.38 -0.96 -2.36 115.31 117.90 3ekr h LEU 32 Ca 0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3ekr h LEU 32 Cb 0.79 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3ekr h LEU 32 CO 0.06 0.32 0.31 0.40 0.09 0.00 0.00 178.44 179.63 3ekr h ILE 33 N 0.50 1.18 0.00 1.22 2.04 -1.02 -0.71 117.51 120.72 3ekr h ILE 33 Ca 0.13 -0.45 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 3ekr h ILE 33 Cb -0.04 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3ekr h ILE 33 CO -0.03 0.19 -0.39 0.40 0.00 0.00 0.00 178.15 178.32 3ekr h ILE 34 N 0.75 1.24 -0.00 -0.67 2.04 -1.15 -3.31 117.51 116.40 3ekr h ILE 34 Ca 0.20 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.69 3ekr h ILE 34 Cb 0.04 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3ekr h ILE 34 CO -0.03 0.38 -0.49 0.59 0.00 0.00 0.00 178.15 178.60 3ekr n ASN 35 N -4.01 0.98 -4.66 1.72 3.02 -0.90 -4.97 115.26 106.45 3ekr n ASN 35 Ca -0.02 -0.99 -0.35 0.00 -0.03 0.00 0.00 54.58 53.19 3ekr n ASN 35 Cb 0.43 0.78 -0.10 0.00 -0.61 0.00 0.00 39.78 40.29 3ekr n ASN 35 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3ekr s THR 36 N -2.04 4.56 0.11 3.41 2.01 -0.30 -5.07 115.64 118.33 3ekr s THR 36 Ca 0.08 -0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.64 3ekr s THR 36 Cb 0.11 -2.99 -0.06 0.00 0.01 0.00 0.00 72.50 69.57 3ekr s THR 36 CO 0.47 0.54 1.01 0.12 -0.69 0.00 0.00 174.62 176.07 3ekr s PHE 37 N -0.28 3.72 0.07 4.92 5.36 -1.26 -4.91 117.98 125.60 3ekr s PHE 37 Ca 0.07 1.71 0.06 0.00 -0.96 0.00 0.00 56.93 57.81 3ekr s PHE 37 Cb -0.12 -3.14 -0.03 0.00 -0.34 0.00 0.00 43.02 39.39 3ekr s PHE 37 CO 0.02 -0.11 -0.15 0.71 -1.46 0.00 0.00 175.22 174.23 3ekr s TYR 38 N 0.13 1.30 -2.08 10.12 2.02 -1.26 -5.04 117.35 122.53 3ekr s TYR 38 Ca 0.49 -0.45 0.29 0.00 -0.37 0.00 0.00 57.07 57.03 3ekr s TYR 38 Cb -0.25 -0.73 1.35 0.00 -0.40 0.00 0.00 41.96 41.94 3ekr s TYR 38 CO 0.31 0.08 1.92 -1.13 -1.57 0.00 0.00 175.55 175.15 3ekr n SER 39 N 1.27 0.73 -2.97 2.29 3.41 -1.26 -4.25 113.62 112.84 3ekr n SER 39 Ca -0.21 -1.07 -0.18 0.00 -0.26 0.00 0.00 58.87 57.15 3ekr n SER 39 Cb 0.54 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 3ekr n SER 39 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3ekr n ASN 40 N -0.53 1.87 0.19 4.04 6.94 -1.26 -4.91 115.26 121.61 3ekr n ASN 40 Ca 0.19 -3.11 0.14 0.00 -0.02 0.00 0.00 54.58 51.78 3ekr n ASN 40 Cb 0.26 -0.58 0.57 0.00 -2.36 0.00 0.00 39.78 37.67 3ekr n ASN 40 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 3ekr h LYS 41 N 2.97 0.00 0.00 -3.83 1.57 -1.98 -2.97 116.57 112.33 3ekr h LYS 41 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3ekr h LYS 41 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 3ekr h LYS 41 CO 0.58 0.00 0.00 -0.85 -0.57 0.00 0.00 179.45 178.61 3ekr n GLU 42 N -2.57 0.14 0.02 3.15 0.28 -1.26 -2.03 120.64 118.36 3ekr n GLU 42 Ca 0.01 0.60 0.07 0.00 -0.16 0.00 0.00 57.16 57.68 3ekr n GLU 42 Cb 0.26 -1.92 0.31 0.00 1.43 0.00 0.00 31.44 31.52 3ekr n GLU 42 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 3ekr n ILE 43 N -2.20 1.07 -0.27 3.84 -6.64 -1.12 -2.47 119.36 111.57 3ekr n ILE 43 Ca -0.01 0.28 0.03 0.00 -1.77 0.00 0.00 62.75 61.28 3ekr n ILE 43 Cb 0.06 -1.08 0.25 0.00 -1.44 0.00 0.00 39.64 37.43 3ekr n ILE 43 CO 0.00 0.00 0.00 2.19 -1.77 0.00 0.00 176.55 176.97 3ekr h PHE 44 N 0.00 1.00 -0.19 4.28 -5.15 -1.67 -1.87 116.94 113.34 3ekr h PHE 44 Ca 0.00 0.03 -0.17 0.00 -0.20 0.00 0.00 57.97 57.63 3ekr h PHE 44 Cb 0.24 -0.33 -0.00 0.00 0.22 0.00 0.00 35.95 36.07 3ekr h PHE 44 CO 0.00 0.56 -0.57 1.25 -2.00 0.00 0.00 178.31 177.55 3ekr h LEU 45 N 1.02 0.68 -0.81 2.10 5.85 -1.75 -2.01 115.31 120.38 3ekr h LEU 45 Ca 0.35 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3ekr h LEU 45 Cb 0.10 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3ekr h LEU 45 CO -0.11 1.11 0.52 -0.09 -0.34 0.00 0.00 178.44 179.52 3ekr h ARG 46 N 0.46 1.09 -0.47 1.25 2.43 -1.59 -1.21 114.38 116.34 3ekr h ARG 46 Ca 0.00 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 58.97 3ekr h ARG 46 Cb 1.13 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 3ekr h ARG 46 CO 0.11 0.74 -0.18 0.93 -1.51 0.00 0.00 179.97 180.06 3ekr h GLU 47 N 1.11 0.92 -0.34 0.20 4.39 -1.09 -0.98 114.58 118.79 3ekr h GLU 47 Ca 0.30 -0.36 -0.17 0.00 0.34 0.00 0.00 59.36 59.46 3ekr h GLU 47 Cb -0.09 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 3ekr h GLU 47 CO -0.06 1.02 -0.47 -0.07 -1.16 0.00 0.00 179.01 178.27 3ekr h LEU 48 N 0.81 1.00 -0.74 1.33 3.38 -1.21 -1.66 115.31 118.22 3ekr h LEU 48 Ca 0.12 -0.50 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 3ekr h LEU 48 Cb 0.73 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3ekr h LEU 48 CO 0.06 1.30 0.12 0.40 0.09 0.00 0.00 178.44 180.41 3ekr h ILE 49 N 0.73 1.26 -0.66 1.22 2.04 -1.16 -1.37 117.51 119.57 3ekr h ILE 49 Ca 0.04 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 64.89 3ekr h ILE 49 Cb 1.07 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 3ekr h ILE 49 CO 0.11 0.38 0.43 -1.28 0.00 0.00 0.00 178.15 177.79 3ekr h SER 50 N 1.01 0.77 -0.67 1.72 0.87 -1.08 0.38 113.55 116.56 3ekr h SER 50 Ca 0.20 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 3ekr h SER 50 Cb 0.42 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 3ekr h SER 50 CO 0.01 0.57 0.38 0.78 -0.53 0.00 0.00 176.83 178.04 3ekr h ASN 51 N 0.90 0.82 -0.78 6.23 4.21 -0.96 -0.53 115.58 125.48 3ekr h ASN 51 Ca 0.24 -0.08 -0.05 0.00 1.21 0.00 0.00 56.30 57.61 3ekr h ASN 51 Cb -0.08 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 36.87 3ekr h ASN 51 CO -0.05 0.66 0.27 0.28 -1.29 0.00 0.00 177.43 177.31 3ekr h SER 52 N 0.91 1.10 -0.61 5.81 0.02 -0.84 -0.90 113.55 119.04 3ekr h SER 52 Ca 0.24 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 3ekr h SER 52 Cb 0.02 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 3ekr h SER 52 CO -0.04 1.00 0.21 -1.28 -1.14 0.00 0.00 176.83 175.58 3ekr h SER 53 N 1.14 0.87 -0.29 3.07 0.87 -0.51 0.14 113.55 118.85 3ekr h SER 53 Ca 0.25 -0.19 0.03 0.00 -1.23 0.00 0.00 61.79 60.65 3ekr h SER 53 Cb 0.27 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 3ekr h SER 53 CO -0.01 0.83 0.11 0.44 -0.53 0.00 0.00 176.83 177.67 3ekr h ASP 54 N 0.86 0.13 -0.79 6.23 3.32 -0.82 0.72 116.42 126.07 3ekr h ASP 54 Ca 0.20 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 3ekr h ASP 54 Cb 0.26 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 3ekr h ASP 54 CO -0.01 0.11 0.34 0.00 -1.72 0.00 0.00 179.24 177.96 3ekr h ALA 55 N 1.18 1.10 -0.53 3.45 0.00 -0.66 -1.16 119.26 122.64 3ekr h ALA 55 Ca 0.13 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3ekr h ALA 55 Cb 0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3ekr h ALA 55 CO -0.12 0.65 -0.11 -0.07 0.00 0.00 0.00 179.25 179.61 3ekr h LEU 56 N 1.15 0.99 -0.68 0.00 3.38 -0.43 -1.99 115.31 117.72 3ekr h LEU 56 Ca 0.27 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.95 3ekr h LEU 56 Cb 0.18 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3ekr h LEU 56 CO -0.03 1.10 0.42 0.44 0.09 0.00 0.00 178.44 180.46 3ekr h ASP 57 N 0.88 0.68 -0.27 -0.43 3.32 -0.38 -0.92 116.42 119.30 3ekr h ASP 57 Ca 0.14 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3ekr h ASP 57 Cb 0.66 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3ekr h ASP 57 CO 0.05 0.47 0.14 0.11 -1.72 0.00 0.00 179.24 178.28 3ekr h LYS 58 N 0.81 0.39 -0.13 3.56 1.57 -0.91 -0.51 116.57 121.35 3ekr h LYS 58 Ca 0.28 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.84 3ekr h LYS 58 Cb 0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3ekr h LYS 58 CO -0.12 0.36 -0.61 0.97 -0.57 0.00 0.00 179.45 179.48 3ekr h ILE 59 N 0.31 1.35 -0.50 1.86 6.09 -1.40 -2.14 117.51 123.07 3ekr h ILE 59 Ca 0.09 -1.92 0.02 0.00 -1.37 0.00 0.00 64.86 61.69 3ekr h ILE 59 Cb 0.10 1.90 -0.03 0.00 0.47 0.00 0.00 36.82 39.26 3ekr h ILE 59 CO -0.01 0.58 0.31 -0.09 -3.07 0.00 0.00 178.15 175.87 3ekr h ARG 60 N 0.34 0.61 0.00 2.19 2.43 -0.85 -1.60 114.38 117.49 3ekr h ARG 60 Ca -0.01 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 58.97 3ekr h ARG 60 Cb 1.15 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 3ekr h ARG 60 CO 0.11 0.40 -0.73 1.88 -1.51 0.00 0.00 179.97 180.12 3ekr h TYR 61 N 0.62 0.00 -0.90 2.20 0.05 -1.05 -2.70 116.97 115.19 3ekr h TYR 61 Ca 0.20 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.99 3ekr h TYR 61 Cb -0.01 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.68 3ekr h TYR 61 CO -0.06 0.73 0.60 0.93 -1.05 0.00 0.00 178.16 179.31 3ekr h GLU 62 N 0.00 1.18 0.00 4.88 5.08 -1.15 -2.52 114.58 122.05 3ekr h GLU 62 Ca -0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3ekr h GLU 62 Cb 1.36 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3ekr h GLU 62 CO 0.10 0.78 0.00 0.66 -1.00 0.00 0.00 179.01 179.54 3ekr h SER 63 N 1.21 0.00 -0.66 1.42 4.64 -0.95 -1.62 113.55 117.59 3ekr h SER 63 Ca 0.34 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.62 3ekr h SER 63 Cb -0.12 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 3ekr h SER 63 CO -0.08 0.00 0.27 -0.07 -0.87 0.00 0.00 176.83 176.08 3ekr h LEU 64 N 0.00 0.90 -0.11 5.97 3.38 -1.42 -2.87 115.31 121.16 3ekr h LEU 64 Ca 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3ekr h LEU 64 Cb 0.22 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3ekr h LEU 64 CO 0.00 0.83 -0.93 0.35 0.09 0.00 0.00 178.44 178.78 3ekr n THR 65 N -4.41 0.00 -3.23 0.22 -2.24 -0.86 -4.77 114.28 98.99 3ekr n THR 65 Ca 0.05 -0.03 -0.07 0.00 -2.27 0.00 0.00 64.05 61.73 3ekr n THR 65 Cb 0.17 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.37 3ekr n THR 65 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ekr s ASP 66 N -2.94 -0.50 0.61 3.42 -1.08 -0.67 -5.02 116.67 110.50 3ekr s ASP 66 Ca 0.09 -1.23 0.41 0.00 -0.52 0.00 0.00 52.55 51.30 3ekr s ASP 66 Cb 0.16 1.40 2.14 0.00 -1.46 0.00 0.00 42.92 45.16 3ekr s ASP 66 CO 0.83 -0.19 2.24 -0.65 0.52 0.00 0.00 175.17 177.92 3ekr h PRO 67 N 6.78 0.00 0.00 4.34 0.11 -1.76 -1.89 132.00 139.59 3ekr h PRO 67 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3ekr h PRO 67 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3ekr h PRO 67 CO 0.13 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.58 3ekr h SER 68 N 0.00 0.00 0.38 -2.05 4.64 -1.94 -2.58 113.55 112.00 3ekr h SER 68 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ekr h SER 68 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3ekr h SER 68 CO 0.00 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.07 3ekr h LYS 69 N 0.00 0.00 -0.63 4.77 1.79 -1.69 -1.93 116.57 118.88 3ekr h LYS 69 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3ekr h LYS 69 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 3ekr h LYS 69 CO 0.00 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.65 3ekr n LEU 70 N -2.84 3.78 0.22 2.94 4.77 -0.97 -4.27 117.00 120.62 3ekr n LEU 70 Ca -0.01 -1.81 0.15 0.00 -0.03 0.00 0.00 56.01 54.31 3ekr n LEU 70 Cb 0.15 -0.42 0.73 0.00 -2.33 0.00 0.00 43.42 41.56 3ekr n LEU 70 CO 0.20 0.91 0.95 0.44 -1.33 0.00 0.00 177.39 178.56 3ekr h ASP 71 N 4.34 0.00 -0.47 -1.43 3.32 -1.52 0.11 116.42 120.77 3ekr h ASP 71 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ekr h ASP 71 Cb 0.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.53 3ekr h ASP 71 CO 0.00 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.98 3ekr n SER 72 N -2.60 3.63 0.00 6.45 3.41 -1.26 -4.92 113.62 118.33 3ekr n SER 72 Ca -0.01 -2.34 0.00 0.00 -0.26 0.00 0.00 58.87 56.27 3ekr n SER 72 Cb 0.14 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 3ekr n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ekr n GLY 73 N 0.90 3.71 0.09 5.00 0.00 0.02 -3.92 105.19 110.99 3ekr n GLY 73 Ca 0.19 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 3ekr n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ekr h LYS 74 N 0.00 0.12 -6.48 1.61 1.79 -1.91 -3.44 116.57 108.26 3ekr h LYS 74 Ca 0.00 -0.20 -0.53 0.00 -2.18 0.00 0.00 60.65 57.73 3ekr h LYS 74 Cb 0.00 0.08 0.01 0.00 -1.58 0.00 0.00 32.23 30.73 3ekr h LYS 74 CO 0.00 0.95 0.63 -1.21 -1.08 0.00 0.00 179.45 178.74 3ekr s GLU 75 N -2.64 4.39 -0.33 3.15 2.02 -1.26 -4.99 118.70 119.03 3ekr s GLU 75 Ca -0.05 1.85 -0.03 0.00 0.02 0.00 0.00 54.97 56.76 3ekr s GLU 75 Cb 0.08 -3.35 0.06 0.00 0.10 0.00 0.00 34.13 31.02 3ekr s GLU 75 CO 0.84 -0.34 0.06 -0.51 0.02 0.00 0.00 175.26 175.34 3ekr s LEU 76 N 1.25 4.27 0.30 1.80 1.43 -1.26 -4.76 118.68 121.71 3ekr s LEU 76 Ca 0.60 -1.40 -0.19 0.00 -1.03 0.00 0.00 54.13 52.11 3ekr s LEU 76 Cb -0.31 -1.77 0.05 0.00 0.03 0.00 0.00 46.19 44.19 3ekr s LEU 76 CO 0.29 -0.33 0.82 -1.38 0.23 0.00 0.00 176.35 175.97 3ekr s HIS 77 N 1.26 -0.01 -0.07 0.29 -3.43 -1.26 -4.37 115.29 107.71 3ekr s HIS 77 Ca -0.02 -0.52 0.02 0.00 -0.80 0.00 0.00 55.06 53.74 3ekr s HIS 77 Cb -0.20 0.76 0.02 0.00 -1.43 0.00 0.00 32.58 31.72 3ekr s HIS 77 CO -0.01 -1.31 -0.11 0.42 -2.00 0.00 0.00 174.74 171.74 3ekr s ILE 78 N -2.92 1.04 -0.04 -5.38 1.01 -0.40 -2.64 121.20 111.86 3ekr s ILE 78 Ca 0.14 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.42 3ekr s ILE 78 Cb -0.05 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 3ekr s ILE 78 CO 0.08 0.34 -0.15 0.20 0.00 0.00 0.00 174.94 175.41 3ekr s ASN 79 N 0.77 3.95 -0.14 3.58 0.01 0.11 -1.07 114.94 122.14 3ekr s ASN 79 Ca -0.13 -0.22 0.01 0.00 -0.71 0.00 0.00 52.86 51.81 3ekr s ASN 79 Cb -0.15 -0.80 -0.00 0.00 0.41 0.00 0.00 41.25 40.70 3ekr s ASN 79 CO 0.02 0.34 -0.18 -0.76 -1.51 0.00 0.00 177.10 175.02 3ekr s LEU 80 N -0.75 2.36 -0.38 0.60 1.43 0.10 -0.40 118.68 121.64 3ekr s LEU 80 Ca 0.11 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 3ekr s LEU 80 Cb -0.11 -1.52 0.12 0.00 0.03 0.00 0.00 46.19 44.72 3ekr s LEU 80 CO 0.01 0.10 0.17 -0.63 0.23 0.00 0.00 176.35 176.23 3ekr s ILE 81 N 0.69 1.20 0.10 -0.59 1.01 0.31 -0.39 121.20 123.53 3ekr s ILE 81 Ca -0.08 -2.04 -0.30 0.00 0.00 0.00 0.00 60.65 58.22 3ekr s ILE 81 Cb -0.16 -1.87 -0.06 0.00 0.01 0.00 0.00 42.46 40.38 3ekr s ILE 81 CO 0.02 -0.79 1.05 -2.16 0.00 0.00 0.00 174.94 173.05 3ekr s PRO 82 N 0.92 4.59 -0.39 2.79 0.04 -1.23 -1.74 135.00 139.98 3ekr s PRO 82 Ca 0.14 1.58 0.02 0.00 0.04 0.00 0.00 61.00 62.78 3ekr s PRO 82 Cb -0.21 -3.36 0.12 0.00 0.04 0.00 0.00 34.50 31.09 3ekr s PRO 82 CO -0.10 0.03 0.16 1.21 0.04 0.00 0.00 177.00 178.33 3ekr s ASN 83 N 0.37 4.10 0.36 6.66 3.84 0.58 -1.92 114.94 128.93 3ekr s ASN 83 Ca 0.51 -2.27 0.03 0.00 0.21 0.00 0.00 52.86 51.34 3ekr s ASN 83 Cb -0.26 -1.19 0.66 0.00 -0.55 0.00 0.00 41.25 39.91 3ekr s ASN 83 CO 0.31 -0.33 2.01 0.11 -2.79 0.00 0.00 177.10 176.41 3ekr h LYS 84 N 7.31 0.79 -0.68 0.43 1.57 -1.82 0.12 116.57 124.29 3ekr h LYS 84 Ca -0.07 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3ekr h LYS 84 Cb 0.97 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.07 3ekr h LYS 84 CO 0.51 0.53 0.44 0.37 -0.57 0.00 0.00 179.45 180.74 3ekr h GLN 85 N 0.81 0.87 -0.00 3.15 4.15 -1.94 -2.40 115.11 119.74 3ekr h GLN 85 Ca 0.22 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.59 3ekr h GLN 85 Cb -0.08 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.41 3ekr h GLN 85 CO -0.05 0.57 -0.50 -0.25 -1.93 0.00 0.00 178.83 176.67 3ekr n ASP 86 N -4.63 0.91 -3.68 -0.69 10.43 -0.96 -4.96 116.55 112.97 3ekr n ASP 86 Ca 0.06 -0.71 -0.25 0.00 2.57 0.00 0.00 54.79 56.46 3ekr n ASP 86 Cb 0.04 0.36 0.06 0.00 1.84 0.00 0.00 41.12 43.42 3ekr n ASP 86 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 3ekr n ARG 87 N -1.08 -6.96 -4.90 -1.24 0.63 0.38 -4.90 116.66 98.60 3ekr n ARG 87 Ca 0.08 0.75 -0.31 0.00 -0.92 0.00 0.00 57.85 57.45 3ekr n ARG 87 Cb 0.35 -5.73 -0.14 0.00 0.45 0.00 0.00 32.46 27.39 3ekr n ARG 87 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3ekr s THR 88 N -3.34 2.48 -0.18 5.15 -4.23 -0.93 -2.03 115.64 112.56 3ekr s THR 88 Ca 0.52 -1.17 -0.01 0.00 -1.18 0.00 0.00 61.69 59.85 3ekr s THR 88 Cb -0.24 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.63 3ekr s THR 88 CO 0.76 0.43 -0.14 -0.22 -0.54 0.00 0.00 174.62 174.92 3ekr s LEU 89 N -1.11 2.48 -0.13 4.79 2.96 -0.63 -0.31 118.68 126.73 3ekr s LEU 89 Ca 0.12 -0.50 -0.00 0.00 -0.22 0.00 0.00 54.13 53.53 3ekr s LEU 89 Cb -0.10 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 3ekr s LEU 89 CO 0.02 0.03 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.07 3ekr s THR 90 N 1.13 3.11 -0.23 3.68 2.01 -0.71 -0.51 115.64 124.11 3ekr s THR 90 Ca 0.01 -0.64 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 3ekr s THR 90 Cb -0.14 -2.31 -0.01 0.00 0.01 0.00 0.00 72.50 70.06 3ekr s THR 90 CO -0.05 0.52 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.74 3ekr s ILE 91 N 0.31 3.40 -0.09 1.82 1.09 0.20 -0.53 121.20 127.41 3ekr s ILE 91 Ca -0.10 -0.54 0.03 0.00 -1.10 0.00 0.00 60.65 58.94 3ekr s ILE 91 Cb -0.16 -2.58 -0.02 0.00 -1.06 0.00 0.00 42.46 38.65 3ekr s ILE 91 CO 0.05 0.38 -0.17 -0.69 -0.10 0.00 0.00 174.94 174.41 3ekr s VAL 92 N 1.47 2.72 0.18 2.92 1.01 0.46 -0.36 120.40 128.81 3ekr s VAL 92 Ca 0.05 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.26 3ekr s VAL 92 Cb -0.15 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 3ekr s VAL 92 CO -0.03 0.56 -0.05 1.51 0.00 0.00 0.00 175.10 177.08 3ekr s ASP 93 N -0.04 1.77 -0.44 3.32 1.47 -0.17 0.05 116.67 122.63 3ekr s ASP 93 Ca -0.04 -1.11 0.04 0.00 1.18 0.00 0.00 52.55 52.62 3ekr s ASP 93 Cb -0.14 0.01 0.49 0.00 -0.34 0.00 0.00 42.92 42.93 3ekr s ASP 93 CO 0.04 -0.42 1.63 0.35 0.68 0.00 0.00 175.17 177.45 3ekr n THR 94 N -0.29 2.99 -0.09 2.11 -2.24 -1.08 -2.29 114.28 113.38 3ekr n THR 94 Ca -0.08 -3.17 0.00 0.00 -2.27 0.00 0.00 64.05 58.53 3ekr n THR 94 Cb 0.62 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 3ekr n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ekr n GLY 95 N -0.94 -1.38 0.26 3.38 0.00 -1.26 -4.67 105.19 100.57 3ekr n GLY 95 Ca 0.49 -1.54 0.15 0.00 0.00 0.00 0.00 46.02 45.12 3ekr n GLY 95 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ekr h ILE 96 N -0.34 0.15 -0.84 -0.61 2.10 -1.70 -3.11 117.51 113.17 3ekr h ILE 96 Ca 0.00 -0.74 0.09 0.00 1.08 0.00 0.00 64.86 65.29 3ekr h ILE 96 Cb 0.00 1.65 -0.02 0.00 -1.09 0.00 0.00 36.82 37.35 3ekr h ILE 96 CO 0.00 0.06 -0.12 0.61 -1.08 0.00 0.00 178.15 177.62 3ekr n GLY 97 N 0.21 -2.11 3.11 8.18 0.00 -1.26 -4.33 105.19 108.98 3ekr n GLY 97 Ca 0.01 -1.41 -0.26 0.00 0.00 0.00 0.00 46.02 44.35 3ekr n GLY 97 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ekr s MET 98 N -1.13 1.89 0.99 1.61 1.00 -1.26 -4.80 119.30 117.60 3ekr s MET 98 Ca 0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 55.69 54.99 3ekr s MET 98 Cb 0.00 -1.58 0.18 0.00 0.00 0.00 0.00 34.83 33.43 3ekr s MET 98 CO 0.00 0.17 1.09 0.95 0.00 0.00 0.00 175.02 177.22 3ekr s THR 99 N 0.27 2.24 0.25 2.05 -4.23 -1.26 -4.04 115.64 110.92 3ekr s THR 99 Ca -0.09 0.08 -0.04 0.00 -1.18 0.00 0.00 61.69 60.46 3ekr s THR 99 Cb -0.13 -2.50 0.23 0.00 1.34 0.00 0.00 72.50 71.43 3ekr s THR 99 CO 0.03 -0.10 1.82 0.50 -0.54 0.00 0.00 174.62 176.34 3ekr h LYS 100 N -1.89 0.85 -0.33 3.99 3.64 -1.98 -0.42 116.57 120.42 3ekr h LYS 100 Ca -0.54 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 58.66 3ekr h LYS 100 Cb 1.31 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 3ekr h LYS 100 CO 0.55 0.56 -0.34 0.00 -2.27 0.00 0.00 179.45 177.95 3ekr h ALA 101 N 1.46 0.77 -0.56 5.00 0.00 -1.99 -1.91 119.26 122.02 3ekr h ALA 101 Ca 0.41 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ekr h ALA 101 Cb 0.33 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3ekr h ALA 101 CO -0.23 0.65 0.34 -0.44 0.00 0.00 0.00 179.25 179.57 3ekr h ASP 102 N 0.63 0.68 0.17 0.00 3.32 -1.73 0.16 116.42 119.64 3ekr h ASP 102 Ca 0.06 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3ekr h ASP 102 Cb 0.88 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 3ekr h ASP 102 CO 0.08 0.54 -0.23 -0.07 -1.72 0.00 0.00 179.24 177.84 3ekr h LEU 103 N 0.76 -0.62 -0.35 1.55 3.38 -0.75 0.42 115.31 119.69 3ekr h LEU 103 Ca 0.20 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.12 3ekr h LEU 103 Cb -0.01 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3ekr h LEU 103 CO -0.04 -0.32 -0.22 0.40 0.09 0.00 0.00 178.44 178.34 3ekr h ILE 104 N -0.46 1.29 -0.06 1.22 2.04 -1.21 -0.54 117.51 119.79 3ekr h ILE 104 Ca 0.01 -1.37 -0.06 0.00 1.00 0.00 0.00 64.86 64.45 3ekr h ILE 104 Cb 0.45 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3ekr h ILE 104 CO -0.09 0.45 -0.18 0.78 0.00 0.00 0.00 178.15 179.11 3ekr h ASN 105 N 0.56 0.27 0.02 1.72 2.35 -0.58 -2.79 115.58 117.13 3ekr h ASN 105 Ca 0.07 -0.61 0.00 0.00 -0.55 0.00 0.00 56.30 55.21 3ekr h ASN 105 Cb 0.78 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.07 3ekr h ASN 105 CO 0.06 0.83 -0.86 0.59 -1.65 0.00 0.00 177.43 176.41 3ekr n ASN 106 N -4.57 1.20 -2.19 5.81 3.02 0.15 -2.40 115.26 116.28 3ekr n ASN 106 Ca -0.08 -1.08 -0.25 0.00 -0.03 0.00 0.00 54.58 53.14 3ekr n ASN 106 Cb 0.41 0.84 0.01 0.00 -0.61 0.00 0.00 39.78 40.44 3ekr n ASN 106 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ekr n LEU 107 N -1.17 4.81 0.00 3.41 4.77 -0.21 -4.93 117.00 123.68 3ekr n LEU 107 Ca 0.05 -4.90 0.00 0.00 -0.03 0.00 0.00 56.01 51.14 3ekr n LEU 107 Cb 0.36 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3ekr n LEU 107 CO 0.39 2.15 0.00 0.61 -1.33 0.00 0.00 177.39 179.21 3ekr n GLY 108 N -0.63 1.93 0.00 -0.72 0.00 -1.25 -4.87 105.19 99.66 3ekr n GLY 108 Ca 0.42 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.37 3ekr n GLY 108 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ekr n THR 109 N 0.00 0.00 -4.06 2.61 -2.24 -1.05 -0.73 114.28 108.81 3ekr n THR 109 Ca 0.00 -0.27 -0.32 0.00 -2.27 0.00 0.00 64.05 61.20 3ekr n THR 109 Cb 0.00 0.49 -0.16 0.00 -2.10 0.00 0.00 70.33 68.56 3ekr n THR 109 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3ekr s ILE 110 N -3.11 1.95 0.07 2.28 1.01 -1.01 -4.48 121.20 117.90 3ekr s ILE 110 Ca -0.01 -1.22 -0.06 0.00 0.00 0.00 0.00 60.65 59.37 3ekr s ILE 110 Cb 0.13 -1.96 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 3ekr s ILE 110 CO 0.81 0.20 0.31 0.00 0.00 0.00 0.00 174.94 176.26 3ekr s ALA 111 N 1.26 3.83 0.34 9.38 0.00 -1.26 -4.81 121.76 130.50 3ekr s ALA 111 Ca -0.02 -0.58 -0.28 0.00 0.00 0.00 0.00 51.96 51.08 3ekr s ALA 111 Cb -0.17 -2.08 -0.09 0.00 0.00 0.00 0.00 23.12 20.78 3ekr s ALA 111 CO -0.08 0.67 1.17 0.21 0.00 0.00 0.00 175.76 177.72 3ekr s LYS 112 N -2.16 4.36 0.26 0.00 2.20 -1.26 -4.96 119.74 118.18 3ekr s LYS 112 Ca 0.34 1.90 -0.31 0.00 -0.36 0.00 0.00 55.97 57.54 3ekr s LYS 112 Cb -0.13 -2.97 -0.13 0.00 -1.51 0.00 0.00 37.83 33.10 3ekr s LYS 112 CO 0.21 -0.07 1.51 0.45 -0.36 0.00 0.00 175.35 177.09 3ekr n SER 113 N 0.68 3.32 0.00 1.43 2.88 -1.26 -1.38 113.62 119.29 3ekr n SER 113 Ca 0.01 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 3ekr n SER 113 Cb 0.45 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 3ekr n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ekr n GLY 114 N 2.30 0.33 0.31 0.46 0.00 -1.26 -4.94 105.19 102.39 3ekr n GLY 114 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.15 3ekr n GLY 114 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ekr h THR 115 N 0.00 1.13 -0.77 2.61 2.02 -1.58 -1.95 112.91 114.38 3ekr h THR 115 Ca 0.00 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.81 3ekr h THR 115 Cb 0.00 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 3ekr h THR 115 CO 0.00 0.15 0.33 0.50 0.37 0.00 0.00 175.52 176.87 3ekr h LYS 116 N 0.60 1.13 -0.66 6.66 3.64 -1.92 -0.72 116.57 125.30 3ekr h LYS 116 Ca 0.16 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3ekr h LYS 116 Cb 0.01 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 3ekr h LYS 116 CO -0.03 0.89 0.41 0.00 -2.27 0.00 0.00 179.45 178.46 3ekr h ALA 117 N 1.25 0.83 -0.23 5.00 0.00 -1.77 -0.07 119.26 124.28 3ekr h ALA 117 Ca 0.26 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3ekr h ALA 117 Cb 0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3ekr h ALA 117 CO -0.03 0.29 -0.08 0.35 0.00 0.00 0.00 179.25 179.78 3ekr h PHE 118 N 0.89 0.53 -0.45 0.00 3.57 -1.25 -1.21 116.94 119.01 3ekr h PHE 118 Ca 0.24 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.65 3ekr h PHE 118 Cb -0.06 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.52 3ekr h PHE 118 CO -0.02 0.71 0.23 1.98 -2.23 0.00 0.00 178.31 178.98 3ekr h MET 119 N 0.19 0.44 -0.44 1.11 4.05 -0.96 -0.27 114.93 119.06 3ekr h MET 119 Ca 0.06 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 3ekr h MET 119 Cb 0.56 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.24 3ekr h MET 119 CO 0.03 0.29 0.18 0.93 0.23 0.00 0.00 176.91 178.57 3ekr h GLU 120 N 0.45 0.62 -0.35 0.39 5.08 -0.93 -0.37 114.58 119.47 3ekr h GLU 120 Ca 0.19 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3ekr h GLU 120 Cb 0.09 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3ekr h GLU 120 CO -0.13 0.51 0.23 0.00 -1.00 0.00 0.00 179.01 178.62 3ekr h ALA 121 N 1.58 0.45 -0.63 3.43 0.00 0.06 -1.16 119.26 122.99 3ekr h ALA 121 Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3ekr h ALA 121 Cb 0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3ekr h ALA 121 CO -0.02 -0.09 0.30 -0.07 0.00 0.00 0.00 179.25 179.37 3ekr h LEU 122 N 0.48 0.82 -2.01 0.00 3.38 -0.26 -0.55 115.31 117.16 3ekr h LEU 122 Ca 0.13 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3ekr h LEU 122 Cb -0.05 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 3ekr h LEU 122 CO -0.03 0.72 -0.07 -0.61 0.09 0.00 0.00 178.44 178.54 3ekr h GLN 123 N 0.86 0.00 -0.00 1.13 5.75 -0.82 -0.07 115.11 121.96 3ekr h GLN 123 Ca 0.21 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.71 3ekr h GLN 123 Cb 0.12 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.67 3ekr h GLN 123 CO -0.03 0.07 -0.07 0.00 -2.65 0.00 0.00 178.83 176.16 3ekr n ALA 124 N -2.42 2.70 0.00 3.38 0.00 -0.46 -4.89 120.51 118.81 3ekr n ALA 124 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3ekr n ALA 124 Cb 0.16 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.23 3ekr n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ekr n GLY 125 N 1.23 0.85 3.59 0.00 0.00 -0.04 -5.07 105.19 105.76 3ekr n GLY 125 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3ekr n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ekr n ALA 126 N -1.26 -0.04 -1.43 4.61 0.00 -0.32 -4.97 120.51 117.10 3ekr n ALA 126 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 53.44 53.12 3ekr n ALA 126 Cb 0.00 -2.07 0.07 0.00 0.00 0.00 0.00 19.45 17.45 3ekr n ALA 126 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ekr s ASP 127 N -1.27 4.98 0.00 0.00 3.68 -1.26 -4.66 116.67 118.13 3ekr s ASP 127 Ca 0.76 1.78 0.26 0.00 2.13 0.00 0.00 52.55 57.47 3ekr s ASP 127 Cb -0.41 -2.52 0.60 0.00 -1.45 0.00 0.00 42.92 39.14 3ekr s ASP 127 CO 0.47 -1.72 1.47 0.00 0.13 0.00 0.00 175.17 175.52 3ekr n ILE 128 N -3.13 0.00 -0.33 4.11 0.13 -1.26 -4.54 119.36 114.33 3ekr n ILE 128 Ca 0.09 -0.09 -0.00 0.00 -1.10 0.00 0.00 62.75 61.64 3ekr n ILE 128 Cb 0.53 0.42 0.13 0.00 -0.84 0.00 0.00 39.64 39.87 3ekr n ILE 128 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 3ekr h SER 129 N 0.83 0.96 -0.24 9.51 0.02 -1.95 -2.11 113.55 120.58 3ekr h SER 129 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ekr h SER 129 Cb 0.52 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3ekr h SER 129 CO 0.00 0.65 0.00 0.23 -1.14 0.00 0.00 176.83 176.57 3ekr n MET 130 N -4.53 2.26 -0.15 3.45 2.81 -1.26 -4.39 117.12 115.31 3ekr n MET 130 Ca 0.12 -1.15 0.13 0.00 -1.81 0.00 0.00 57.70 54.99 3ekr n MET 130 Cb 0.11 -1.63 0.47 0.00 -0.71 0.00 0.00 33.22 31.46 3ekr n MET 130 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3ekr h ILE 131 N 1.56 0.86 0.00 2.02 2.10 -1.71 -0.09 117.51 122.25 3ekr h ILE 131 Ca 0.00 -0.17 -0.03 0.00 1.08 0.00 0.00 64.86 65.74 3ekr h ILE 131 Cb 0.87 0.33 -0.00 0.00 -1.09 0.00 0.00 36.82 36.93 3ekr h ILE 131 CO 0.14 0.09 -0.16 1.23 -1.08 0.00 0.00 178.15 178.36 3ekr h GLY 132 N 0.48 0.00 2.00 8.18 0.00 -1.85 -1.87 103.07 110.02 3ekr h GLY 132 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3ekr h GLY 132 CO -0.11 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.37 3ekr n GLN 133 N -3.74 0.12 -0.18 4.80 6.02 -0.05 -2.51 117.38 121.84 3ekr n GLN 133 Ca -0.02 0.32 0.07 0.00 -0.01 0.00 0.00 57.00 57.36 3ekr n GLN 133 Cb 0.27 -1.71 0.17 0.00 1.02 0.00 0.00 30.24 29.99 3ekr n GLN 133 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3ekr n PHE 134 N -1.93 0.49 -0.82 1.08 3.01 -0.70 -4.97 117.46 113.61 3ekr n PHE 134 Ca 0.03 -0.44 0.00 0.00 1.01 0.00 0.00 57.45 58.05 3ekr n PHE 134 Cb 0.23 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 3ekr n PHE 134 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ekr n GLY 135 N 0.72 0.58 0.67 1.37 0.00 -1.04 -4.86 105.19 102.63 3ekr n GLY 135 Ca 0.13 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.12 3ekr n GLY 135 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ekr n VAL 136 N -2.82 1.48 0.15 1.61 0.24 -1.24 -4.82 118.33 112.93 3ekr n VAL 136 Ca 0.00 -2.29 0.13 0.00 -2.04 0.00 0.00 64.34 60.14 3ekr n VAL 136 Cb 0.00 0.09 0.66 0.00 -1.47 0.00 0.00 33.84 33.12 3ekr n VAL 136 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3ekr h GLY 137 N 0.71 0.00 0.30 7.63 0.00 -1.83 -2.49 103.07 107.40 3ekr h GLY 137 Ca -0.05 -0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.46 3ekr h GLY 137 CO 0.02 0.00 0.60 -2.75 0.00 0.00 0.00 176.54 174.42 3ekr h PHE 138 N 0.00 0.87 0.00 5.60 3.57 -1.87 -0.76 116.94 124.35 3ekr h PHE 138 Ca 0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3ekr h PHE 138 Cb 0.41 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.89 3ekr h PHE 138 CO -0.00 0.25 0.00 0.66 -2.23 0.00 0.00 178.31 176.99 3ekr n TYR 139 N -4.63 0.17 0.25 0.41 4.01 -0.94 -1.63 117.16 114.81 3ekr n TYR 139 Ca 0.20 0.06 0.06 0.00 -0.16 0.00 0.00 57.90 58.07 3ekr n TYR 139 Cb 0.56 -0.60 0.29 0.00 -0.31 0.00 0.00 39.34 39.29 3ekr n TYR 139 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3ekr n SER 140 N -1.65 0.22 -0.11 7.72 3.41 -0.29 -1.75 113.62 121.18 3ekr n SER 140 Ca 0.04 0.58 0.16 0.00 -0.26 0.00 0.00 58.87 59.39 3ekr n SER 140 Cb 0.23 -0.62 0.55 0.00 -0.26 0.00 0.00 64.21 64.11 3ekr n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ekr h ALA 141 N 2.20 2.19 -0.02 7.33 0.00 -1.48 -0.94 119.26 128.53 3ekr h ALA 141 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ekr h ALA 141 Cb 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ekr h ALA 141 CO 0.00 -0.37 0.00 0.66 0.00 0.00 0.00 179.25 179.54 3ekr n TYR 142 N -4.45 0.03 0.04 0.00 4.01 -0.72 -1.55 117.16 114.52 3ekr n TYR 142 Ca 0.12 -0.01 -0.00 0.00 -0.16 0.00 0.00 57.90 57.85 3ekr n TYR 142 Cb 0.52 0.00 0.29 0.00 -0.31 0.00 0.00 39.34 39.84 3ekr n TYR 142 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3ekr h LEU 143 N 0.38 0.41 0.00 7.72 3.38 -1.36 -3.37 115.31 122.48 3ekr h LEU 143 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3ekr h LEU 143 Cb 0.08 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3ekr h LEU 143 CO 0.00 0.57 -0.64 1.33 0.09 0.00 0.00 178.44 179.79 3ekr n VAL 144 N -4.22 0.00 -5.05 1.22 0.24 -0.77 -5.01 118.33 104.75 3ekr n VAL 144 Ca 0.00 -0.23 -0.32 0.00 -2.04 0.00 0.00 64.34 61.75 3ekr n VAL 144 Cb 0.30 0.70 -0.14 0.00 -1.47 0.00 0.00 33.84 33.23 3ekr n VAL 144 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ekr s ALA 145 N -1.70 2.46 -0.11 2.33 0.00 -0.59 -0.38 121.76 123.76 3ekr s ALA 145 Ca -0.00 -1.02 0.15 0.00 0.00 0.00 0.00 51.96 51.09 3ekr s ALA 145 Cb 0.01 -0.83 -0.07 0.00 0.00 0.00 0.00 23.12 22.24 3ekr s ALA 145 CO 0.08 0.51 1.10 1.05 0.00 0.00 0.00 175.76 178.50 3ekr h GLU 146 N 5.56 0.00 -3.23 0.00 4.11 -1.35 -3.41 114.58 116.26 3ekr h GLU 146 Ca -0.42 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 58.82 3ekr h GLU 146 Cb 1.15 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.13 3ekr h GLU 146 CO 0.49 0.44 -0.49 0.21 0.07 0.00 0.00 179.01 179.73 3ekr s LYS 147 N -2.91 0.23 -0.09 1.06 2.20 -1.19 -4.53 119.74 114.51 3ekr s LYS 147 Ca 0.00 0.30 0.04 0.00 -0.36 0.00 0.00 55.97 55.95 3ekr s LYS 147 Cb 0.08 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 3ekr s LYS 147 CO 0.79 -0.04 -0.20 0.08 -0.36 0.00 0.00 175.35 175.61 3ekr s VAL 148 N 0.24 1.75 -0.11 4.02 1.01 -0.81 -0.68 120.40 125.83 3ekr s VAL 148 Ca -0.01 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3ekr s VAL 148 Cb -0.03 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 3ekr s VAL 148 CO -0.01 0.49 -0.19 -0.89 0.00 0.00 0.00 175.10 174.51 3ekr s THR 149 N 0.42 2.55 -0.20 3.92 2.01 -0.52 -2.07 115.64 121.75 3ekr s THR 149 Ca -0.17 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 60.99 3ekr s THR 149 Cb -0.17 -2.03 0.02 0.00 0.01 0.00 0.00 72.50 70.33 3ekr s THR 149 CO 0.07 0.54 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.69 3ekr s VAL 150 N 0.33 2.29 -0.15 3.82 1.01 0.71 0.30 120.40 128.72 3ekr s VAL 150 Ca -0.15 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 60.82 3ekr s VAL 150 Cb -0.17 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 3ekr s VAL 150 CO 0.07 0.45 0.08 -0.63 0.00 0.00 0.00 175.10 175.07 3ekr s ILE 151 N 1.30 4.96 -0.07 2.22 -1.09 0.49 -0.55 121.20 128.47 3ekr s ILE 151 Ca 0.04 0.01 -0.11 0.00 -2.23 0.00 0.00 60.65 58.36 3ekr s ILE 151 Cb -0.14 -3.19 0.02 0.00 -1.58 0.00 0.00 42.46 37.58 3ekr s ILE 151 CO -0.11 0.54 0.28 0.28 -1.23 0.00 0.00 174.94 174.70 3ekr s THR 152 N -0.30 0.03 -0.08 2.92 -1.32 -0.46 0.28 115.64 116.71 3ekr s THR 152 Ca 0.09 -0.24 -0.03 0.00 -1.21 0.00 0.00 61.69 60.30 3ekr s THR 152 Cb -0.12 -0.48 0.04 0.00 -1.51 0.00 0.00 72.50 70.43 3ekr s THR 152 CO 0.01 -0.13 0.08 -0.75 -2.21 0.00 0.00 174.62 171.62 3ekr s LYS 153 N -0.51 -0.03 0.05 7.08 2.47 0.65 -0.87 119.74 128.58 3ekr s LYS 153 Ca -0.06 0.28 0.04 0.00 -1.56 0.00 0.00 55.97 54.67 3ekr s LYS 153 Cb -0.04 -0.81 -0.04 0.00 -1.46 0.00 0.00 37.83 35.48 3ekr s LYS 153 CO 0.02 -0.41 -0.03 -1.58 0.16 0.00 0.00 175.35 173.51 3ekr s HIS 154 N 2.18 2.96 0.34 4.03 5.65 -1.26 -0.60 115.29 128.58 3ekr s HIS 154 Ca 0.04 -0.02 -0.27 0.00 0.25 0.00 0.00 55.06 55.06 3ekr s HIS 154 Cb -0.13 -1.57 -0.13 0.00 -1.18 0.00 0.00 32.58 29.57 3ekr s HIS 154 CO -0.05 0.45 1.05 0.09 -0.65 0.00 0.00 174.74 175.62 3ekr n ASN 155 N 0.99 1.49 -1.79 9.88 3.02 -1.26 -1.82 115.26 125.77 3ekr n ASN 155 Ca -0.13 1.14 -0.19 0.00 -0.03 0.00 0.00 54.58 55.37 3ekr n ASN 155 Cb 0.52 -1.34 -0.06 0.00 -0.61 0.00 0.00 39.78 38.30 3ekr n ASN 155 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3ekr n ASP 156 N 0.95 -5.03 -4.19 6.41 2.03 -1.26 -4.97 116.55 110.48 3ekr n ASP 156 Ca 0.09 0.34 -0.11 0.00 0.52 0.00 0.00 54.79 55.62 3ekr n ASP 156 Cb 0.35 -4.41 -0.10 0.00 -0.72 0.00 0.00 41.12 36.24 3ekr n ASP 156 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3ekr s ASP 157 N -2.42 0.49 0.75 1.67 -1.08 -0.76 -5.15 116.67 110.17 3ekr s ASP 157 Ca 0.00 -1.27 -0.12 0.00 -0.52 0.00 0.00 52.55 50.65 3ekr s ASP 157 Cb 0.00 0.28 0.04 0.00 -1.46 0.00 0.00 42.92 41.78 3ekr s ASP 157 CO 0.00 -0.73 1.13 -1.61 0.52 0.00 0.00 175.17 174.48 3ekr s GLU 158 N -4.06 2.48 0.06 4.34 2.02 -1.26 -4.52 118.70 117.77 3ekr s GLU 158 Ca 0.29 0.32 -0.30 0.00 0.02 0.00 0.00 54.97 55.30 3ekr s GLU 158 Cb 0.07 -1.99 -0.05 0.00 0.10 0.00 0.00 34.13 32.26 3ekr s GLU 158 CO 0.06 -1.27 1.09 -1.14 0.02 0.00 0.00 175.26 174.02 3ekr s GLN 159 N -5.45 4.52 0.19 1.61 0.74 -1.26 -4.46 119.66 115.55 3ekr s GLN 159 Ca 0.60 1.63 0.11 0.00 0.05 0.00 0.00 55.36 57.74 3ekr s GLN 159 Cb -0.11 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.58 3ekr s GLN 159 CO 0.51 -0.10 -0.22 0.71 -0.55 0.00 0.00 175.29 175.63 3ekr s TYR 160 N 0.76 2.35 -0.14 1.67 2.02 -0.05 -0.47 117.35 123.49 3ekr s TYR 160 Ca 0.54 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.91 3ekr s TYR 160 Cb -0.26 -1.16 -0.01 0.00 -0.40 0.00 0.00 41.96 40.13 3ekr s TYR 160 CO 0.30 0.50 -0.16 0.00 -1.57 0.00 0.00 175.55 174.62 3ekr s ALA 161 N -1.68 2.46 -0.01 3.71 0.00 0.17 -1.35 121.76 125.06 3ekr s ALA 161 Ca 0.21 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.23 3ekr s ALA 161 Cb -0.08 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 3ekr s ALA 161 CO 0.11 0.11 -0.13 -0.46 0.00 0.00 0.00 175.76 175.39 3ekr s TRP 162 N 0.58 2.72 -0.15 0.00 -0.00 0.29 -1.41 118.94 120.97 3ekr s TRP 162 Ca -0.10 -0.15 -0.18 0.00 -0.00 0.00 0.00 56.10 55.68 3ekr s TRP 162 Cb -0.16 -1.58 0.05 0.00 -0.00 0.00 0.00 33.47 31.78 3ekr s TRP 162 CO 0.03 0.26 0.49 -2.00 -0.00 0.00 0.00 176.95 175.73 3ekr s GLU 163 N -1.11 0.63 -0.18 5.86 2.12 -0.75 -0.21 118.70 125.06 3ekr s GLU 163 Ca 0.14 0.55 -0.15 0.00 0.36 0.00 0.00 54.97 55.86 3ekr s GLU 163 Cb -0.11 0.30 0.05 0.00 0.26 0.00 0.00 34.13 34.63 3ekr s GLU 163 CO 0.04 -0.10 0.47 0.45 -0.54 0.00 0.00 175.26 175.57 3ekr s SER 164 N -0.05 -0.51 -0.40 -1.70 0.15 -0.88 -0.98 113.70 109.34 3ekr s SER 164 Ca -0.03 0.96 0.06 0.00 0.70 0.00 0.00 55.95 57.64 3ekr s SER 164 Cb -0.03 0.95 0.64 0.00 -1.71 0.00 0.00 66.02 65.87 3ekr s SER 164 CO 0.02 -0.17 1.80 -1.20 1.20 0.00 0.00 173.24 174.89 3ekr n SER 165 N 3.03 3.58 0.00 5.45 7.64 -1.26 -1.92 113.62 130.14 3ekr n SER 165 Ca -0.15 -3.60 0.00 0.00 1.01 0.00 0.00 58.87 56.13 3ekr n SER 165 Cb 0.57 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 3ekr n SER 165 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ekr n ALA 166 N -1.03 0.00 -0.98 -0.43 0.00 -1.26 -4.90 120.51 111.91 3ekr n ALA 166 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3ekr n ALA 166 Cb 1.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.95 3ekr n ALA 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ekr n GLY 167 N 0.00 0.28 0.00 0.00 0.00 -1.26 -3.57 105.19 100.64 3ekr n GLY 167 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ekr n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ekr n GLY 168 N -1.13 0.49 3.29 -0.02 0.00 -1.26 -5.05 105.19 101.51 3ekr n GLY 168 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3ekr n GLY 168 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ekr s SER 169 N -1.92 0.11 0.04 1.61 1.04 -1.23 -1.51 113.70 111.84 3ekr s SER 169 Ca 0.00 -0.98 -0.00 0.00 0.48 0.00 0.00 55.95 55.44 3ekr s SER 169 Cb 0.00 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 3ekr s SER 169 CO 0.00 -0.85 -0.03 0.72 0.98 0.00 0.00 173.24 174.06 3ekr s PHE 170 N -4.00 0.44 0.12 5.02 -0.12 0.02 -4.55 117.98 114.91 3ekr s PHE 170 Ca 0.20 -0.85 0.05 0.00 -0.05 0.00 0.00 56.93 56.27 3ekr s PHE 170 Cb 0.04 -0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 42.08 3ekr s PHE 170 CO 0.01 -0.30 0.08 0.95 -0.05 0.00 0.00 175.22 175.91 3ekr s THR 171 N -2.93 4.33 -0.02 -4.49 -4.23 -0.15 -0.44 115.64 107.72 3ekr s THR 171 Ca -0.02 -0.99 0.02 0.00 -1.18 0.00 0.00 61.69 59.53 3ekr s THR 171 Cb 0.01 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.71 3ekr s THR 171 CO -0.06 0.02 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.26 3ekr s VAL 172 N -1.54 0.72 0.10 2.29 1.01 0.30 -1.81 120.40 121.47 3ekr s VAL 172 Ca 0.29 -0.33 -0.18 0.00 0.00 0.00 0.00 61.98 61.75 3ekr s VAL 172 Cb -0.11 -0.64 0.04 0.00 0.00 0.00 0.00 36.38 35.67 3ekr s VAL 172 CO 0.21 0.23 0.45 0.00 0.00 0.00 0.00 175.10 175.99 3ekr s ARG 173 N 0.16 1.06 0.22 2.72 1.70 -0.50 -1.30 118.95 123.01 3ekr s ARG 173 Ca -0.02 -0.52 -0.31 0.00 -0.47 0.00 0.00 55.73 54.41 3ekr s ARG 173 Cb -0.08 0.47 -0.10 0.00 -0.57 0.00 0.00 34.95 34.67 3ekr s ARG 173 CO 0.00 -0.41 1.51 0.99 -1.08 0.00 0.00 175.30 176.32 3ekr s THR 174 N -3.29 2.55 -0.13 4.99 2.01 -1.26 0.44 115.64 120.95 3ekr s THR 174 Ca -0.00 0.44 -0.16 0.00 0.31 0.00 0.00 61.69 62.27 3ekr s THR 174 Cb 0.01 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.19 3ekr s THR 174 CO -0.08 0.06 0.38 -0.62 -0.69 0.00 0.00 174.62 173.67 3ekr s ASP 175 N 0.68 6.58 -0.15 3.53 2.15 0.38 -4.70 116.67 125.14 3ekr s ASP 175 Ca 0.64 0.69 0.16 0.00 0.43 0.00 0.00 52.55 54.46 3ekr s ASP 175 Cb -0.43 -2.23 0.58 0.00 -0.30 0.00 0.00 42.92 40.53 3ekr s ASP 175 CO 0.39 0.08 1.49 0.35 -0.17 0.00 0.00 175.17 177.31 3ekr n THR 176 N 3.45 2.13 -0.27 1.71 -2.24 -1.26 -4.74 114.28 113.06 3ekr n THR 176 Ca -0.10 -1.58 0.00 0.00 -2.27 0.00 0.00 64.05 60.10 3ekr n THR 176 Cb 0.52 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 3ekr n THR 176 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ekr n GLY 177 N 0.06 -1.91 3.74 3.38 0.00 -1.26 -4.94 105.19 104.26 3ekr n GLY 177 Ca 0.22 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 3ekr n GLY 177 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ekr s GLU 178 N -1.29 4.27 0.23 1.61 2.02 -1.26 -4.91 118.70 119.37 3ekr s GLU 178 Ca 0.00 2.27 -0.31 0.00 0.02 0.00 0.00 54.97 56.95 3ekr s GLU 178 Cb 0.00 -3.13 -0.11 0.00 0.10 0.00 0.00 34.13 30.98 3ekr s GLU 178 CO 0.00 -0.43 1.63 -2.14 0.02 0.00 0.00 175.26 174.33 3ekr s PRO 179 N -0.01 4.16 0.07 0.39 0.02 -1.26 -5.02 135.00 133.35 3ekr s PRO 179 Ca 0.61 2.52 -0.05 0.00 0.02 0.00 0.00 61.00 64.10 3ekr s PRO 179 Cb -0.41 -3.08 -0.05 0.00 0.02 0.00 0.00 34.50 30.98 3ekr s PRO 179 CO 0.40 -0.66 0.30 -1.64 -0.33 0.00 0.00 177.00 175.07 3ekr s MET 180 N 0.57 3.57 0.00 5.54 -1.94 -1.26 -5.02 119.30 120.76 3ekr s MET 180 Ca 0.69 -0.15 -0.24 0.00 -1.71 0.00 0.00 55.69 54.29 3ekr s MET 180 Cb -0.47 -2.99 -0.18 0.00 2.01 0.00 0.00 34.83 33.20 3ekr s MET 180 CO 0.37 0.57 1.32 0.78 -0.01 0.00 0.00 175.02 178.05 3ekr h GLY 181 N 3.38 0.14 -5.14 -0.03 0.00 -1.96 -3.48 103.07 95.98 3ekr h GLY 181 Ca -0.47 -0.13 0.11 0.00 0.00 0.00 0.00 47.33 46.83 3ekr h GLY 181 CO 0.70 0.12 0.61 -1.60 0.00 0.00 0.00 176.54 176.37 3ekr s ARG 182 N -4.37 0.41 0.00 4.80 3.52 -1.25 -4.88 118.95 117.18 3ekr s ARG 182 Ca -0.15 0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.76 3ekr s ARG 182 Cb 0.03 0.20 0.00 0.00 -1.56 0.00 0.00 34.95 33.62 3ekr s ARG 182 CO 0.70 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 175.51 3ekr n GLY 183 N 1.47 0.60 2.85 8.12 0.00 0.23 -4.37 105.19 114.09 3ekr n GLY 183 Ca -0.10 -2.17 -0.13 0.00 0.00 0.00 0.00 46.02 43.62 3ekr n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ekr s THR 184 N -0.66 0.04 -0.16 2.61 2.01 -0.97 -0.25 115.64 118.26 3ekr s THR 184 Ca 0.00 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.04 3ekr s THR 184 Cb 0.00 -0.08 0.02 0.00 0.01 0.00 0.00 72.50 72.46 3ekr s THR 184 CO 0.00 0.04 -0.15 -0.75 -0.69 0.00 0.00 174.62 173.07 3ekr s LYS 185 N 0.30 2.43 -0.28 4.92 2.20 0.14 -1.00 119.74 128.45 3ekr s LYS 185 Ca -0.03 -0.63 -0.07 0.00 -0.36 0.00 0.00 55.97 54.88 3ekr s LYS 185 Cb -0.04 -2.21 -0.01 0.00 -1.51 0.00 0.00 37.83 34.06 3ekr s LYS 185 CO -0.01 -0.24 0.09 0.08 -0.36 0.00 0.00 175.35 174.91 3ekr s VAL 186 N 1.44 4.16 -0.34 4.02 1.01 0.51 -0.38 120.40 130.83 3ekr s VAL 186 Ca 0.05 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 3ekr s VAL 186 Cb -0.13 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.19 3ekr s VAL 186 CO -0.11 0.17 0.17 -0.63 0.00 0.00 0.00 175.10 174.70 3ekr s ILE 187 N 1.56 4.49 -0.32 2.22 1.01 0.15 -0.63 121.20 129.68 3ekr s ILE 187 Ca 0.04 -0.66 -0.16 0.00 0.00 0.00 0.00 60.65 59.87 3ekr s ILE 187 Cb -0.16 -3.39 -0.02 0.00 0.01 0.00 0.00 42.46 38.89 3ekr s ILE 187 CO 0.03 -0.07 0.42 -0.76 0.00 0.00 0.00 174.94 174.57 3ekr s LEU 188 N 1.57 4.27 -0.67 2.97 1.43 0.33 -1.44 118.68 127.13 3ekr s LEU 188 Ca 0.03 0.03 -0.21 0.00 -1.03 0.00 0.00 54.13 52.94 3ekr s LEU 188 Cb -0.18 -2.46 0.08 0.00 0.03 0.00 0.00 46.19 43.66 3ekr s LEU 188 CO 0.06 -0.33 0.92 -1.00 0.23 0.00 0.00 176.35 176.22 3ekr s HIS 189 N 2.17 2.79 0.47 0.29 3.76 0.15 -1.60 115.29 123.31 3ekr s HIS 189 Ca 0.15 -0.72 -0.22 0.00 -0.15 0.00 0.00 55.06 54.12 3ekr s HIS 189 Cb -0.16 -4.23 -0.07 0.00 1.11 0.00 0.00 32.58 29.23 3ekr s HIS 189 CO 0.12 -1.56 1.14 -0.51 -0.85 0.00 0.00 174.74 173.08 3ekr s LEU 190 N 3.62 3.96 0.69 0.89 1.43 -0.86 -1.05 118.68 127.36 3ekr s LEU 190 Ca 0.21 2.23 -0.16 0.00 -1.03 0.00 0.00 54.13 55.37 3ekr s LEU 190 Cb -0.17 -4.32 0.02 0.00 0.03 0.00 0.00 46.19 41.74 3ekr s LEU 190 CO 0.07 -0.92 1.21 -0.54 0.23 0.00 0.00 176.35 176.40 3ekr s LYS 191 N -2.83 2.38 0.34 1.70 1.02 0.49 -4.61 119.74 118.24 3ekr s LYS 191 Ca 0.65 1.76 0.07 0.00 0.02 0.00 0.00 55.97 58.48 3ekr s LYS 191 Cb -0.26 -1.86 0.76 0.00 -0.52 0.00 0.00 37.83 35.95 3ekr s LYS 191 CO 0.31 -1.65 1.86 1.49 -0.92 0.00 0.00 175.35 176.45 3ekr h GLU 192 N 0.02 0.73 -0.68 1.68 4.81 -1.94 -1.98 114.58 117.21 3ekr h GLU 192 Ca -0.48 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3ekr h GLU 192 Cb 1.29 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3ekr h GLU 192 CO 0.51 0.49 0.00 -0.40 -0.73 0.00 0.00 179.01 178.88 3ekr n ASP 193 N -4.57 4.55 -0.60 1.04 5.75 -1.26 -3.82 116.55 117.64 3ekr n ASP 193 Ca 0.17 -2.69 0.05 0.00 -0.01 0.00 0.00 54.79 52.32 3ekr n ASP 193 Cb 0.44 -0.64 0.10 0.00 -1.03 0.00 0.00 41.12 39.99 3ekr n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ekr n GLN 194 N 0.49 0.79 0.00 0.11 1.13 -0.74 -4.82 117.38 114.34 3ekr n GLN 194 Ca 0.21 -2.27 0.11 0.00 -1.94 0.00 0.00 57.00 53.11 3ekr n GLN 194 Cb 0.96 -0.99 0.63 0.00 0.11 0.00 0.00 30.24 30.95 3ekr n GLN 194 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3ekr n THR 195 N -0.62 0.14 0.28 5.09 -2.24 -1.25 -3.04 114.28 112.65 3ekr n THR 195 Ca 0.11 0.04 0.14 0.00 -2.27 0.00 0.00 64.05 62.06 3ekr n THR 195 Cb 0.77 -0.67 0.81 0.00 -2.10 0.00 0.00 70.33 69.14 3ekr n THR 195 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3ekr h GLU 196 N 0.00 0.00 0.00 -0.78 4.11 -1.91 -1.59 114.58 114.40 3ekr h GLU 196 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3ekr h GLU 196 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3ekr h GLU 196 CO 0.00 0.07 0.00 0.66 0.07 0.00 0.00 179.01 179.81 3ekr n TYR 197 N -3.74 0.00 0.60 2.06 4.01 -1.17 -1.53 117.16 117.39 3ekr n TYR 197 Ca -0.02 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.84 3ekr n TYR 197 Cb 0.17 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.38 3ekr n TYR 197 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3ekr n LEU 198 N -0.79 0.68 -4.72 7.72 4.77 -0.60 -4.79 117.00 119.28 3ekr n LEU 198 Ca 0.12 0.21 -0.42 0.00 -0.03 0.00 0.00 56.01 55.90 3ekr n LEU 198 Cb 0.06 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 3ekr n LEU 198 CO 0.09 -0.04 0.65 -1.61 -1.33 0.00 0.00 177.39 175.15 3ekr s GLU 199 N -3.15 4.59 0.22 3.23 2.02 -0.58 -4.82 118.70 120.20 3ekr s GLU 199 Ca 0.07 1.38 -0.08 0.00 0.02 0.00 0.00 54.97 56.35 3ekr s GLU 199 Cb 0.14 -3.43 0.25 0.00 0.10 0.00 0.00 34.13 31.19 3ekr s GLU 199 CO 0.72 0.04 1.85 1.05 0.02 0.00 0.00 175.26 178.94 3ekr h GLU 200 N 6.43 0.90 -0.58 1.61 -0.00 -1.91 -1.20 114.58 119.83 3ekr h GLU 200 Ca -0.42 -0.05 -0.07 0.00 -0.00 0.00 0.00 59.36 58.82 3ekr h GLU 200 Cb 1.22 -0.20 -0.02 0.00 -0.00 0.00 0.00 28.75 29.74 3ekr h GLU 200 CO 0.74 0.60 0.08 0.07 -0.00 0.00 0.00 179.01 180.50 3ekr h ARG 201 N 0.93 0.93 -0.16 1.06 -0.00 -1.94 -0.75 114.38 114.44 3ekr h ARG 201 Ca 0.33 -0.23 -0.02 0.00 -0.00 0.00 0.00 59.98 60.05 3ekr h ARG 201 Cb 0.08 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.97 29.92 3ekr h ARG 201 CO -0.14 0.87 0.01 -0.09 -0.00 0.00 0.00 179.97 180.62 3ekr h ARG 202 N 0.88 0.27 -0.38 0.08 9.65 -1.67 -2.57 114.38 120.64 3ekr h ARG 202 Ca 0.18 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 3ekr h ARG 202 Cb 0.40 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.93 3ekr h ARG 202 CO 0.01 0.48 0.24 0.82 2.80 0.00 0.00 179.97 184.32 3ekr h ILE 203 N 0.03 1.11 -0.42 1.20 2.04 -0.99 -2.16 117.51 118.32 3ekr h ILE 203 Ca 0.05 -0.24 0.07 0.00 1.00 0.00 0.00 64.86 65.73 3ekr h ILE 203 Cb 0.35 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 3ekr h ILE 203 CO 0.01 0.11 0.09 0.11 0.00 0.00 0.00 178.15 178.47 3ekr h LYS 204 N 0.50 0.21 -0.10 2.37 1.57 -1.10 -1.36 116.57 118.66 3ekr h LYS 204 Ca 0.14 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 3ekr h LYS 204 Cb -0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3ekr h LYS 204 CO -0.03 0.14 -0.50 1.05 -0.57 0.00 0.00 179.45 179.54 3ekr h GLU 205 N 0.22 0.26 -0.49 3.15 4.11 -1.28 -0.83 114.58 119.72 3ekr h GLU 205 Ca 0.21 -0.15 -0.12 0.00 0.07 0.00 0.00 59.36 59.37 3ekr h GLU 205 Cb 0.25 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3ekr h GLU 205 CO -0.27 0.71 -0.17 0.82 0.07 0.00 0.00 179.01 180.17 3ekr h ILE 206 N 0.21 1.27 -0.35 -1.06 2.04 -1.05 -0.74 117.51 117.83 3ekr h ILE 206 Ca 0.01 -1.32 -0.17 0.00 1.00 0.00 0.00 64.86 64.38 3ekr h ILE 206 Cb 0.96 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 3ekr h ILE 206 CO 0.08 0.46 -0.44 0.58 0.00 0.00 0.00 178.15 178.83 3ekr h VAL 207 N 0.84 1.27 -0.27 1.67 2.07 -1.02 -1.87 116.25 118.95 3ekr h VAL 207 Ca 0.12 -1.62 -0.10 0.00 0.82 0.00 0.00 66.70 65.93 3ekr h VAL 207 Cb 0.73 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 3ekr h VAL 207 CO 0.06 0.54 -0.24 0.50 0.02 0.00 0.00 177.57 178.44 3ekr h LYS 208 N 0.73 0.51 0.05 1.57 3.64 -1.09 -0.07 116.57 121.91 3ekr h LYS 208 Ca 0.05 -0.19 -0.23 0.00 -1.27 0.00 0.00 60.65 59.01 3ekr h LYS 208 Cb 1.04 -0.03 0.02 0.00 -0.41 0.00 0.00 32.23 32.85 3ekr h LYS 208 CO 0.10 0.71 -0.92 -0.22 -2.27 0.00 0.00 179.45 176.85 3ekr h LYS 209 N 0.45 0.54 0.00 1.90 3.64 -1.03 -3.39 116.57 118.68 3ekr h LYS 209 Ca 0.07 -0.64 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 3ekr h LYS 209 Cb 0.66 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 3ekr h LYS 209 CO 0.05 1.26 -0.91 0.72 -2.27 0.00 0.00 179.45 178.29 3ekr n HIS 210 N -4.00 0.00 -1.47 1.91 8.25 -0.71 -4.70 115.22 114.50 3ekr n HIS 210 Ca -0.12 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.41 3ekr n HIS 210 Cb 0.83 -0.10 0.17 0.00 1.12 0.00 0.00 29.99 32.02 3ekr n HIS 210 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3ekr n SER 211 N -1.51 1.86 -0.21 0.41 7.64 -0.04 -4.79 113.62 116.98 3ekr n SER 211 Ca -0.00 -3.52 0.04 0.00 1.01 0.00 0.00 58.87 56.40 3ekr n SER 211 Cb 0.16 -0.48 0.30 0.00 -1.01 0.00 0.00 64.21 63.19 3ekr n SER 211 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 3ekr h GLN 212 N 0.64 0.85 -0.01 1.43 -0.00 -1.75 -2.76 115.11 113.51 3ekr h GLN 212 Ca -0.01 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.59 3ekr h GLN 212 Cb 1.05 -0.19 0.00 0.00 0.00 0.00 0.00 27.48 28.33 3ekr h GLN 212 CO 0.00 0.56 -0.07 1.19 0.00 0.00 0.00 178.83 180.51 3ekr n PHE 213 N -4.46 0.00 -1.90 3.99 3.72 -1.26 -4.90 117.46 112.64 3ekr n PHE 213 Ca 0.10 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.08 3ekr n PHE 213 Cb 0.16 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.64 3ekr n PHE 213 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3ekr s ILE 214 N -2.14 2.51 -0.33 4.37 -1.09 -1.04 -4.89 121.20 118.59 3ekr s ILE 214 Ca 0.34 0.37 0.03 0.00 -2.23 0.00 0.00 60.65 59.15 3ekr s ILE 214 Cb 0.20 -3.24 0.47 0.00 -1.58 0.00 0.00 42.46 38.32 3ekr s ILE 214 CO 0.38 0.03 1.69 0.61 -1.23 0.00 0.00 174.94 176.42 3ekr n GLY 215 N 3.63 3.88 3.08 6.18 0.00 -1.26 -4.87 105.19 115.83 3ekr n GLY 215 Ca 0.13 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 3ekr n GLY 215 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ekr s TYR 216 N -2.39 0.61 0.29 1.61 2.02 -1.26 -5.11 117.35 113.12 3ekr s TYR 216 Ca 0.41 -0.75 -0.30 0.00 -0.37 0.00 0.00 57.07 56.06 3ekr s TYR 216 Cb 0.35 -0.39 -0.12 0.00 -0.40 0.00 0.00 41.96 41.40 3ekr s TYR 216 CO 0.07 -0.19 1.60 -2.30 -1.57 0.00 0.00 175.55 173.16 3ekr n PRO 217 N 0.77 2.70 -4.03 -1.71 -0.02 -1.26 -4.87 135.00 126.59 3ekr n PRO 217 Ca -0.18 0.96 -0.34 0.00 -2.02 0.00 0.00 63.50 61.92 3ekr n PRO 217 Cb 0.58 -2.75 -0.15 0.00 -0.02 0.00 0.00 33.50 31.16 3ekr n PRO 217 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ekr s ILE 218 N 0.04 2.58 -0.09 4.25 1.01 -1.26 -1.27 121.20 126.45 3ekr s ILE 218 Ca 0.64 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 60.43 3ekr s ILE 218 Cb -0.50 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 39.78 3ekr s ILE 218 CO 0.48 0.39 -0.20 -0.89 0.00 0.00 0.00 174.94 174.72 3ekr s THR 219 N 1.33 1.73 -0.12 2.92 2.01 -0.23 -5.01 115.64 118.26 3ekr s THR 219 Ca 0.03 -0.83 -0.17 0.00 0.31 0.00 0.00 61.69 61.03 3ekr s THR 219 Cb -0.15 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 3ekr s THR 219 CO -0.08 0.49 0.44 -0.22 -0.69 0.00 0.00 174.62 174.56 3ekr s LEU 220 N 0.46 4.28 -0.28 4.42 2.96 -1.26 -0.72 118.68 128.54 3ekr s LEU 220 Ca -0.17 0.76 0.03 0.00 -0.22 0.00 0.00 54.13 54.53 3ekr s LEU 220 Cb -0.17 -2.63 0.07 0.00 0.50 0.00 0.00 46.19 43.96 3ekr s LEU 220 CO 0.07 0.04 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.71 3ekr s PHE 221 N 0.51 3.26 -0.37 5.38 0.08 0.48 -4.94 117.98 122.38 3ekr s PHE 221 Ca 0.24 -2.41 -0.24 0.00 0.12 0.00 0.00 56.93 54.64 3ekr s PHE 221 Cb -0.15 -2.10 0.01 0.00 -0.57 0.00 0.00 43.02 40.21 3ekr s PHE 221 CO 0.09 -0.88 0.83 0.08 -0.10 0.00 0.00 175.22 175.24 3ekr s VAL 222 N 1.10 4.68 -0.16 -0.44 1.01 -1.26 -3.53 120.40 121.80 3ekr s VAL 222 Ca -0.04 0.97 -0.20 0.00 0.00 0.00 0.00 61.98 62.71 3ekr s VAL 222 Cb -0.20 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 3ekr s VAL 222 CO -0.06 -0.47 0.57 -0.70 0.00 0.00 0.00 175.10 174.44 3ekr s GLU 223 N 3.22 4.28 -0.19 2.72 2.12 -0.81 -5.03 118.70 125.02 3ekr s GLU 223 Ca 0.33 0.56 -0.04 0.00 0.36 0.00 0.00 54.97 56.19 3ekr s GLU 223 Cb -0.13 -3.51 0.06 0.00 0.26 0.00 0.00 34.13 30.81 3ekr s GLU 223 CO 0.18 -0.06 0.07 0.15 -0.54 0.00 0.00 175.26 175.06 3ekr s LYS 224 N 1.31 0.31 0.20 4.30 1.02 -1.26 -4.35 119.74 121.27 3ekr s LYS 224 Ca 0.28 -0.27 -0.31 0.00 0.02 0.00 0.00 55.97 55.69 3ekr s LYS 224 Cb -0.16 -1.90 -0.10 0.00 -0.52 0.00 0.00 37.83 35.15 3ekr s LYS 224 CO 0.11 -0.69 1.54 -1.21 -0.92 0.00 0.00 175.35 174.18 3ekr s GLU 225 N 2.01 4.22 0.00 1.68 8.01 -1.26 -5.20 118.70 128.17 3ekr s GLU 225 Ca 0.02 2.37 0.26 0.00 0.01 0.00 0.00 54.97 57.63 3ekr s GLU 225 Cb -0.16 -3.13 0.64 0.00 -4.31 0.00 0.00 34.13 27.17 3ekr s GLU 225 CO -0.11 -0.56 1.51 1.28 0.01 0.00 0.00 175.26 177.39