#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xej s VAL 2 N 0.00 2.61 0.56 0.58 1.01 -1.26 -0.87 120.40 123.03 1xej s VAL 2 Ca 0.00 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.16 1xej s VAL 2 Cb 0.00 -1.99 0.07 0.00 0.00 0.00 0.00 36.38 34.46 1xej s VAL 2 CO 0.00 0.58 0.77 -0.36 0.00 0.00 0.00 175.10 176.09 1xej s PHE 3 N -0.53 1.93 -0.15 5.22 0.08 0.20 -5.00 117.98 119.73 1xej s PHE 3 Ca 0.07 -0.50 -0.00 0.00 0.12 0.00 0.00 56.93 56.62 1xej s PHE 3 Cb -0.11 -2.43 0.03 0.00 -0.57 0.00 0.00 43.02 39.93 1xej s PHE 3 CO 0.01 -1.03 -0.10 0.20 -0.10 0.00 0.00 175.22 174.20 1xej s GLY 4 N -4.57 1.01 0.00 4.36 0.00 -1.26 -4.92 107.32 101.94 1xej s GLY 4 Ca 0.60 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 44.51 1xej s GLY 4 CO 0.38 0.73 0.00 -2.13 0.00 0.00 0.00 173.10 172.09 1xej n ARG 5 N 4.84 0.00 0.18 2.90 0.63 -1.26 0.24 116.66 124.18 1xej n ARG 5 Ca -0.14 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.65 1xej n ARG 5 Cb 0.49 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.32 1xej n ARG 5 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1xej h GLU 7 N -0.54 0.20 0.00 0.00 4.81 0.27 0.80 114.58 120.12 1xej h GLU 7 Ca -0.04 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 1xej h GLU 7 Cb 0.40 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1xej h GLU 7 CO 0.07 0.13 -1.16 1.25 -0.73 0.00 0.00 179.01 178.57 1xej h LEU 8 N 0.20 0.00 0.51 1.64 5.85 -1.52 -3.33 115.31 118.67 1xej h LEU 8 Ca 0.51 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.20 1xej h LEU 8 Cb 1.63 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.66 1xej h LEU 8 CO -0.13 0.33 -0.25 0.00 -0.34 0.00 0.00 178.44 178.06 1xej h ALA 9 N 1.67 -1.18 0.00 1.25 0.00 -0.43 -1.44 119.26 119.12 1xej h ALA 9 Ca -0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1xej h ALA 9 Cb 1.33 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1xej h ALA 9 CO 0.03 -1.13 -0.02 0.00 0.00 0.00 0.00 179.25 178.13 1xej h ALA 10 N -1.67 1.13 0.02 0.00 0.00 -1.69 -1.05 119.26 116.01 1xej h ALA 10 Ca -0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xej h ALA 10 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xej h ALA 10 CO 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 179.25 179.38 1xej h ALA 11 N 1.98 -0.03 -0.71 0.00 0.00 -1.65 -2.03 119.26 116.82 1xej h ALA 11 Ca -0.00 -0.37 0.07 0.00 0.00 0.00 0.00 54.91 54.61 1xej h ALA 11 Cb 0.13 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1xej h ALA 11 CO 0.00 -0.11 0.40 0.52 0.00 0.00 0.00 179.25 180.05 1xej h MET 12 N -0.83 0.69 -0.51 0.00 2.86 -0.66 -2.00 114.93 114.47 1xej h MET 12 Ca -0.00 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1xej h MET 12 Cb 0.74 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 1xej h MET 12 CO 0.00 0.46 0.34 -0.22 1.06 0.00 0.00 176.91 178.55 1xej h LYS 13 N 0.71 0.54 0.00 1.72 3.64 -1.23 0.08 116.57 122.03 1xej h LYS 13 Ca 0.32 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1xej h LYS 13 Cb 0.23 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1xej h LYS 13 CO -0.20 0.36 0.00 0.00 -2.27 0.00 0.00 179.45 177.33 1xej h ARG 14 N 0.55 0.00 -0.60 1.90 3.08 -0.70 -3.27 114.38 115.34 1xej h ARG 14 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1xej h ARG 14 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1xej h ARG 14 CO -0.05 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.57 1xej n HIS 15 N -3.00 1.97 -2.31 3.04 8.25 -0.06 -4.94 115.22 118.16 1xej n HIS 15 Ca 0.04 -0.69 -0.11 0.00 -0.26 0.00 0.00 57.72 56.70 1xej n HIS 15 Cb 0.51 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.16 1xej n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xej n GLY 16 N 0.70 -0.02 0.11 -1.41 0.00 -1.06 -4.95 105.19 98.57 1xej n GLY 16 Ca 0.27 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1xej n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xej h LEU 17 N -0.19 0.00 -8.46 0.99 3.38 -1.57 -3.39 115.31 106.07 1xej h LEU 17 Ca -0.25 -0.10 -0.43 0.00 0.09 0.00 0.00 57.88 57.19 1xej h LEU 17 Cb 1.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1xej h LEU 17 CO 0.29 0.05 1.24 -0.62 0.09 0.00 0.00 178.44 179.49 1xej s ASP 18 N -4.92 4.99 0.00 -0.43 -1.08 -1.26 -3.57 116.67 110.40 1xej s ASP 18 Ca 0.04 0.32 0.00 0.00 -0.52 0.00 0.00 52.55 52.39 1xej s ASP 18 Cb 0.11 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 1xej s ASP 18 CO 0.73 -2.63 0.00 0.59 0.52 0.00 0.00 175.17 174.38 1xej n ASN 19 N 13.97 0.00 -2.42 -0.34 5.03 -0.13 -4.77 115.26 126.60 1xej n ASN 19 Ca 0.28 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.39 1xej n ASN 19 Cb 0.51 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.22 1xej n ASN 19 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xej n TYR 20 N -0.55 0.79 -3.87 3.10 9.36 -1.23 0.93 117.16 125.69 1xej n TYR 20 Ca 0.00 0.58 -0.28 0.00 3.32 0.00 0.00 57.90 61.53 1xej n TYR 20 Cb 0.00 -1.13 0.02 0.00 -0.63 0.00 0.00 39.34 37.60 1xej n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1xej n ARG 21 N 1.80 -5.24 -3.86 2.98 5.12 -1.26 -2.68 116.66 113.52 1xej n ARG 21 Ca 0.15 0.59 -0.25 0.00 -1.93 0.00 0.00 57.85 56.41 1xej n ARG 21 Cb -0.02 -5.36 -0.00 0.00 -1.16 0.00 0.00 32.46 25.92 1xej n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xej n GLY 22 N -1.67 -0.31 2.92 -0.13 0.00 0.27 -4.99 105.19 101.27 1xej n GLY 22 Ca -0.06 0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1xej n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xej s TYR 23 N -3.84 2.07 0.51 1.61 2.02 -0.32 -5.03 117.35 114.36 1xej s TYR 23 Ca 0.05 -1.45 -0.10 0.00 -0.37 0.00 0.00 57.07 55.20 1xej s TYR 23 Cb -0.02 -1.46 -0.05 0.00 -0.40 0.00 0.00 41.96 40.03 1xej s TYR 23 CO 0.87 -0.71 0.88 -1.54 -1.57 0.00 0.00 175.55 173.48 1xej s SER 24 N 1.51 6.37 0.05 2.29 1.04 -1.26 -0.95 113.70 122.74 1xej s SER 24 Ca -0.03 1.21 -0.10 0.00 0.48 0.00 0.00 55.95 57.52 1xej s SER 24 Cb -0.17 -2.37 -0.02 0.00 0.10 0.00 0.00 66.02 63.56 1xej s SER 24 CO -0.07 -0.62 0.50 -0.11 0.98 0.00 0.00 173.24 173.93 1xej n LEU 25 N -2.05 -0.33 -0.25 2.42 7.94 -1.26 0.15 117.00 123.61 1xej n LEU 25 Ca 0.03 0.58 0.02 0.00 -1.11 0.00 0.00 56.01 55.53 1xej n LEU 25 Cb 0.54 -0.08 0.07 0.00 0.53 0.00 0.00 43.42 44.48 1xej n LEU 25 CO 0.52 -0.46 0.43 0.61 -1.11 0.00 0.00 177.39 177.38 1xej n GLY 26 N -1.08 -1.26 0.20 -3.96 0.00 -1.26 0.90 105.19 98.73 1xej n GLY 26 Ca 0.01 0.75 -0.07 0.00 0.00 0.00 0.00 46.02 46.70 1xej n GLY 26 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1xej h ASN 27 N 0.00 -0.50 0.34 1.61 2.35 0.11 -2.53 115.58 116.96 1xej h ASN 27 Ca 0.29 0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 56.14 1xej h ASN 27 Cb 0.46 0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.08 1xej h ASN 27 CO -0.69 -0.19 -0.37 -0.50 -1.65 0.00 0.00 177.43 174.02 1xej h TRP 28 N -0.12 -1.04 -0.97 1.19 4.06 0.52 -1.78 115.95 117.81 1xej h TRP 28 Ca 0.14 0.01 0.24 0.00 2.06 0.00 0.00 58.89 61.34 1xej h TRP 28 Cb 0.34 0.41 -0.12 0.00 -1.00 0.00 0.00 29.16 28.78 1xej h TRP 28 CO -0.33 -0.49 0.53 0.28 -3.56 0.00 0.00 178.44 174.87 1xej h VAL 29 N -0.72 0.51 -0.39 1.49 2.07 -1.40 -1.85 116.25 115.97 1xej h VAL 29 Ca -0.04 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1xej h VAL 29 Cb 0.63 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1xej h VAL 29 CO -0.06 0.09 -0.06 0.00 0.02 0.00 0.00 177.57 177.57 1xej h ALA 31 N 0.85 1.49 -0.01 0.00 0.00 -0.49 -3.05 119.26 118.05 1xej h ALA 31 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xej h ALA 31 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1xej h ALA 31 CO 0.03 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.42 1xej n ALA 32 N -2.37 -0.50 -0.30 0.00 0.00 -1.03 -2.44 120.51 113.88 1xej n ALA 32 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.55 1xej n ALA 32 Cb 0.21 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.95 1xej n ALA 32 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1xej h LYS 33 N 0.00 0.28 -0.58 0.00 3.64 -1.39 -0.93 116.57 117.59 1xej h LYS 33 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1xej h LYS 33 Cb 0.00 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1xej h LYS 33 CO 0.00 0.18 0.00 1.19 -2.27 0.00 0.00 179.45 178.55 1xej n PHE 34 N -5.15 0.58 -0.06 1.91 3.72 -1.19 0.07 117.46 117.36 1xej n PHE 34 Ca 0.21 -0.23 -0.11 0.00 -0.05 0.00 0.00 57.45 57.28 1xej n PHE 34 Cb 0.67 -0.14 -0.05 0.00 -0.94 0.00 0.00 39.48 39.02 1xej n PHE 34 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1xej n GLU 35 N 0.27 0.27 -2.09 -1.08 -0.58 -0.41 -4.78 120.64 112.23 1xej n GLU 35 Ca 0.10 0.09 -0.03 0.00 -0.42 0.00 0.00 57.16 56.90 1xej n GLU 35 Cb 0.43 -1.07 0.05 0.00 -0.57 0.00 0.00 31.44 30.29 1xej n GLU 35 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1xej n SER 36 N -3.21 -0.93 0.00 1.62 3.41 -0.88 -4.94 113.62 108.69 1xej n SER 36 Ca -0.22 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.27 1xej n SER 36 Cb 0.69 0.41 0.00 0.00 -0.26 0.00 0.00 64.21 65.05 1xej n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1xej n ASN 37 N -0.87 -1.88 -0.26 4.04 4.05 0.11 -0.87 115.26 119.58 1xej n ASN 37 Ca -0.18 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.85 1xej n ASN 37 Cb 0.83 -1.72 0.00 0.00 1.23 0.00 0.00 39.78 40.12 1xej n ASN 37 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1xej n PHE 38 N -0.81 0.00 -3.79 1.20 3.72 -1.26 -4.76 117.46 111.75 1xej n PHE 38 Ca 0.00 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.03 1xej n PHE 38 Cb 0.16 -0.52 -0.13 0.00 -0.94 0.00 0.00 39.48 38.05 1xej n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1xej s ASN 39 N -2.42 5.20 0.11 4.37 3.84 -0.05 0.59 114.94 126.59 1xej s ASN 39 Ca 0.00 -1.24 -0.15 0.00 0.21 0.00 0.00 52.86 51.67 1xej s ASN 39 Cb 0.00 -1.83 -0.04 0.00 -0.55 0.00 0.00 41.25 38.83 1xej s ASN 39 CO 0.00 -0.33 1.54 0.74 -2.79 0.00 0.00 177.10 176.26 1xej h THR 40 N 6.27 1.27 0.00 -5.21 2.02 -1.33 -3.19 112.91 112.74 1xej h THR 40 Ca -0.22 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 65.91 1xej h THR 40 Cb 1.07 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1xej h THR 40 CO 0.59 0.35 0.00 0.00 0.37 0.00 0.00 175.52 176.83 1xej n GLN 41 N -4.46 0.09 -1.65 6.66 1.13 -1.26 -3.49 117.38 114.40 1xej n GLN 41 Ca -0.02 0.27 -0.43 0.00 -1.94 0.00 0.00 57.00 54.88 1xej n GLN 41 Cb 0.30 -1.65 -0.03 0.00 0.11 0.00 0.00 30.24 28.96 1xej n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1xej n ALA 42 N -1.62 1.59 -2.43 -1.58 0.00 -1.20 -4.67 120.51 110.59 1xej n ALA 42 Ca 0.04 0.12 -0.22 0.00 0.00 0.00 0.00 53.44 53.38 1xej n ALA 42 Cb 0.24 -2.72 -0.10 0.00 0.00 0.00 0.00 19.45 16.87 1xej n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xej s THR 43 N 5.24 2.23 -0.18 0.00 -4.23 -1.26 0.85 115.64 118.29 1xej s THR 43 Ca 0.92 -2.34 -0.09 0.00 -1.18 0.00 0.00 61.69 59.00 1xej s THR 43 Cb -0.43 -2.24 0.07 0.00 1.34 0.00 0.00 72.50 71.24 1xej s THR 43 CO 0.41 -0.45 0.43 0.21 -0.54 0.00 0.00 174.62 174.68 1xej s ASN 44 N -3.45 -0.48 -0.32 3.99 2.47 0.56 -4.96 114.94 112.75 1xej s ASN 44 Ca 0.28 0.94 -0.16 0.00 0.42 0.00 0.00 52.86 54.34 1xej s ASN 44 Cb -0.03 0.92 -0.02 0.00 -1.45 0.00 0.00 41.25 40.66 1xej s ASN 44 CO 0.13 -0.20 0.39 -0.13 -3.72 0.00 0.00 177.10 173.57 1xej s ARG 45 N 1.66 3.73 0.00 0.43 3.00 -1.26 -2.12 118.95 124.39 1xej s ARG 45 Ca -0.08 -0.21 0.00 0.00 0.00 0.00 0.00 55.73 55.44 1xej s ARG 45 Cb -0.09 -3.75 0.00 0.00 0.00 0.00 0.00 34.95 31.11 1xej s ARG 45 CO -0.13 -0.46 0.00 0.09 0.00 0.00 0.00 175.30 174.80 1xej n ASN 46 N 5.43 0.00 -0.03 0.23 4.13 -0.97 -5.04 115.26 119.02 1xej n ASN 46 Ca -0.08 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 55.98 1xej n ASN 46 Cb 0.50 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.61 1xej n ASN 46 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 1xej h THR 47 N -0.08 1.21 -2.89 3.41 2.02 -1.97 -3.43 112.91 111.18 1xej h THR 47 Ca 0.00 -2.35 -0.80 0.00 0.77 0.00 0.00 66.41 64.03 1xej h THR 47 Cb 0.00 2.79 -0.26 0.00 -1.74 0.00 0.00 68.15 68.94 1xej h THR 47 CO 0.00 0.60 0.86 -0.67 0.37 0.00 0.00 175.52 176.68 1xej n ASP 48 N -4.19 5.98 -4.08 4.18 -0.08 -1.26 -4.73 116.55 112.36 1xej n ASP 48 Ca -0.22 -3.26 -0.29 0.00 -1.51 0.00 0.00 54.79 49.51 1xej n ASP 48 Cb 0.76 -1.34 -0.07 0.00 2.34 0.00 0.00 41.12 42.81 1xej n ASP 48 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xej n GLY 49 N 2.00 -0.19 3.45 0.27 0.00 -1.26 -4.91 105.19 104.55 1xej n GLY 49 Ca 0.27 0.17 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 1xej n GLY 49 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xej s SER 50 N -4.14 3.80 -0.09 1.61 0.15 -1.26 -4.77 113.70 109.00 1xej s SER 50 Ca 0.06 -0.40 -0.14 0.00 0.70 0.00 0.00 55.95 56.17 1xej s SER 50 Cb -0.03 -0.63 0.03 0.00 -1.71 0.00 0.00 66.02 63.68 1xej s SER 50 CO 0.87 0.27 0.35 -0.89 1.20 0.00 0.00 173.24 175.04 1xej s THR 51 N -0.90 0.02 -0.16 6.45 2.01 -1.26 -2.29 115.64 119.52 1xej s THR 51 Ca 0.14 -0.18 -0.00 0.00 0.31 0.00 0.00 61.69 61.96 1xej s THR 51 Cb -0.10 -0.56 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 1xej s THR 51 CO 0.05 -0.10 -0.13 -1.81 -0.69 0.00 0.00 174.62 171.93 1xej s ASP 52 N -0.42 3.82 0.18 3.53 1.11 -0.90 -0.83 116.67 123.16 1xej s ASP 52 Ca -0.05 -0.42 0.10 0.00 0.18 0.00 0.00 52.55 52.36 1xej s ASP 52 Cb -0.04 -1.60 -0.04 0.00 1.07 0.00 0.00 42.92 42.32 1xej s ASP 52 CO 0.02 0.09 -0.20 -0.31 1.18 0.00 0.00 175.17 175.96 1xej s TYR 53 N 0.77 2.41 0.03 4.23 1.51 -1.07 -0.32 117.35 124.92 1xej s TYR 53 Ca -0.05 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.69 1xej s TYR 53 Cb -0.15 -1.21 0.00 0.00 -0.11 0.00 0.00 41.96 40.49 1xej s TYR 53 CO 0.01 0.48 0.00 0.41 -1.11 0.00 0.00 175.55 175.34 1xej n GLY 54 N 0.31 -0.32 0.00 0.71 0.00 0.25 -1.68 105.19 104.45 1xej n GLY 54 Ca -0.13 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1xej n GLY 54 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xej n ILE 55 N -0.87 0.00 -0.83 -0.61 0.13 -1.24 0.27 119.36 116.21 1xej n ILE 55 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1xej n ILE 55 Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.87 1xej n ILE 55 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 1xej n LEU 56 N -2.03 0.25 -3.63 9.51 4.77 -1.26 -4.60 117.00 120.01 1xej n LEU 56 Ca 0.00 -0.25 -0.25 0.00 -0.03 0.00 0.00 56.01 55.48 1xej n LEU 56 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1xej n LEU 56 CO 0.00 0.06 -0.07 0.00 -1.33 0.00 0.00 177.39 176.06 1xej n GLN 57 N -0.04 -2.63 -2.22 3.23 1.13 0.76 -4.91 117.38 112.69 1xej n GLN 57 Ca 0.00 0.57 -0.43 0.00 -1.94 0.00 0.00 57.00 55.20 1xej n GLN 57 Cb 0.31 -4.76 -0.02 0.00 0.11 0.00 0.00 30.24 25.88 1xej n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1xej s ILE 58 N -3.55 3.87 0.05 5.09 1.09 -1.14 -4.51 121.20 122.10 1xej s ILE 58 Ca 0.30 1.00 -0.26 0.00 -1.10 0.00 0.00 60.65 60.59 1xej s ILE 58 Cb -0.09 -3.83 -0.05 0.00 -1.06 0.00 0.00 42.46 37.43 1xej s ILE 58 CO 0.83 -0.29 0.80 0.21 -0.10 0.00 0.00 174.94 176.39 1xej s ASN 59 N 3.47 7.25 0.53 3.58 3.84 -1.26 -2.59 114.94 129.76 1xej s ASN 59 Ca 0.66 1.50 0.22 0.00 0.21 0.00 0.00 52.86 55.44 1xej s ASN 59 Cb -0.23 -2.49 1.37 0.00 -0.55 0.00 0.00 41.25 39.35 1xej s ASN 59 CO 0.26 -0.02 2.06 0.77 -2.79 0.00 0.00 177.10 177.38 1xej h SER 60 N 5.77 0.00 1.01 -4.21 4.64 -1.23 -2.70 113.55 116.84 1xej h SER 60 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1xej h SER 60 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1xej h SER 60 CO 0.71 0.00 0.00 -0.09 -0.87 0.00 0.00 176.83 176.58 1xej h ARG 61 N 0.00 0.00 0.00 4.77 2.43 -1.83 -3.37 114.38 116.39 1xej h ARG 61 Ca 0.14 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1xej h ARG 61 Cb 0.59 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1xej h ARG 61 CO -0.00 0.00 -1.10 0.91 -1.51 0.00 0.00 179.97 178.27 1xej n TRP 62 N -2.91 0.00 -0.12 2.20 7.02 -1.04 -3.80 117.44 118.79 1xej n TRP 62 Ca 0.01 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.33 1xej n TRP 62 Cb 0.30 -0.07 -0.11 0.00 -2.42 0.00 0.00 31.31 29.01 1xej n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1xej n TRP 63 N -2.59 0.00 -4.48 -5.99 7.02 -1.11 -2.67 117.44 107.62 1xej n TRP 63 Ca -0.03 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.21 1xej n TRP 63 Cb 0.53 -0.91 -0.09 0.00 -2.42 0.00 0.00 31.31 28.42 1xej n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1xej s ASN 65 N -3.56 2.84 -0.07 0.00 3.84 -0.78 -4.21 114.94 113.01 1xej s ASN 65 Ca 0.28 -0.46 0.17 0.00 0.21 0.00 0.00 52.86 53.06 1xej s ASN 65 Cb 0.04 -0.57 0.35 0.00 -0.55 0.00 0.00 41.25 40.52 1xej s ASN 65 CO 0.15 0.26 1.16 -0.90 -2.79 0.00 0.00 177.10 174.97 1xej n ASP 66 N 2.77 1.16 -3.02 -4.21 5.75 -1.26 -1.13 116.55 116.60 1xej n ASP 66 Ca -0.17 -2.61 -0.01 0.00 -0.01 0.00 0.00 54.79 51.99 1xej n ASP 66 Cb 0.52 -0.36 -0.01 0.00 -1.03 0.00 0.00 41.12 40.24 1xej n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xej n GLY 67 N -0.18 -0.69 0.00 6.12 0.00 -1.26 -4.87 105.19 104.31 1xej n GLY 67 Ca 0.09 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1xej n GLY 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1xej n ARG 68 N 2.37 0.00 -3.14 1.61 0.63 -1.26 -5.15 116.66 111.72 1xej n ARG 68 Ca -0.05 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.47 1xej n ARG 68 Cb 0.11 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.95 1xej n ARG 68 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1xej s THR 69 N 0.00 4.97 0.52 5.15 -4.23 -1.26 -4.95 115.64 115.85 1xej s THR 69 Ca 0.00 0.89 0.05 0.00 -1.18 0.00 0.00 61.69 61.44 1xej s THR 69 Cb 0.00 -3.95 0.07 0.00 1.34 0.00 0.00 72.50 69.96 1xej s THR 69 CO 0.00 -0.07 0.86 -2.65 -0.54 0.00 0.00 174.62 172.22 1xej n PRO 70 N 5.78 0.02 -0.03 3.99 -0.02 -1.26 -1.60 135.00 141.87 1xej n PRO 70 Ca -0.02 0.78 -0.03 0.00 -2.02 0.00 0.00 63.50 62.21 1xej n PRO 70 Cb 0.49 -2.07 -0.01 0.00 -0.02 0.00 0.00 33.50 31.89 1xej n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xej n GLY 71 N -1.36 -0.58 0.29 -1.23 0.00 -1.26 -5.09 105.19 95.96 1xej n GLY 71 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1xej n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xej n SER 72 N -3.26 0.00 0.01 1.61 2.88 -0.63 -5.01 113.62 109.22 1xej n SER 72 Ca -0.05 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.49 1xej n SER 72 Cb 0.17 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.53 1xej n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1xej n ARG 73 N 0.45 0.63 -3.50 -1.46 1.74 -1.25 -5.03 116.66 108.24 1xej n ARG 73 Ca 0.00 0.16 -0.23 0.00 -0.77 0.00 0.00 57.85 57.00 1xej n ARG 73 Cb 0.00 -1.74 0.05 0.00 -1.02 0.00 0.00 32.46 29.74 1xej n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1xej n ASN 74 N -2.82 -5.94 0.04 0.55 2.85 -1.26 -4.86 115.26 103.83 1xej n ASN 74 Ca -0.13 -0.83 -0.08 0.00 -0.11 0.00 0.00 54.58 53.43 1xej n ASN 74 Cb 0.87 -4.00 0.07 0.00 1.24 0.00 0.00 39.78 37.95 1xej n ASN 74 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1xej h LEU 75 N -1.35 0.47 0.00 1.20 -0.00 -1.24 -2.04 115.31 112.35 1xej h LEU 75 Ca -0.58 -0.28 0.00 0.00 -0.00 0.00 0.00 57.88 57.02 1xej h LEU 75 Cb 1.31 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 1xej h LEU 75 CO 0.45 0.98 0.00 0.00 -0.00 0.00 0.00 178.44 179.87 1xej n ASN 77 N -1.41 -2.97 -4.09 0.00 5.15 -0.77 -5.00 115.26 106.17 1xej n ASN 77 Ca 0.09 -1.06 -0.10 0.00 -0.60 0.00 0.00 54.58 52.91 1xej n ASN 77 Cb 0.27 -2.97 -0.08 0.00 -0.53 0.00 0.00 39.78 36.47 1xej n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1xej s ILE 78 N -3.70 0.01 -0.20 -1.44 -4.36 -1.26 -5.10 121.20 105.15 1xej s ILE 78 Ca 0.28 -1.69 -0.22 0.00 -0.26 0.00 0.00 60.65 58.76 1xej s ILE 78 Cb -0.11 -2.29 -0.02 0.00 1.25 0.00 0.00 42.46 41.29 1xej s ILE 78 CO 0.89 -0.05 0.67 -2.84 0.24 0.00 0.00 174.94 173.85 1xej s PRO 79 N -4.08 4.22 0.39 0.37 0.02 -1.26 -1.86 135.00 132.80 1xej s PRO 79 Ca 0.29 0.69 0.20 0.00 0.02 0.00 0.00 61.00 62.21 1xej s PRO 79 Cb 0.03 -3.59 1.19 0.00 0.02 0.00 0.00 34.50 32.16 1xej s PRO 79 CO 0.09 -0.28 1.68 0.00 -0.33 0.00 0.00 177.00 178.17 1xej n SER 81 N -4.81 0.61 0.22 0.00 3.41 -1.26 -0.12 113.62 111.67 1xej n SER 81 Ca 0.31 0.75 0.06 0.00 -0.26 0.00 0.00 58.87 59.74 1xej n SER 81 Cb 1.09 -0.84 0.56 0.00 -0.26 0.00 0.00 64.21 64.76 1xej n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xej h ALA 82 N 2.06 1.85 0.00 7.33 0.00 0.30 -2.52 119.26 128.27 1xej h ALA 82 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xej h ALA 82 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xej h ALA 82 CO 0.00 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.65 1xej n LEU 83 N -4.45 0.66 -1.15 0.00 4.32 0.83 -3.76 117.00 113.46 1xej n LEU 83 Ca -0.02 0.60 0.08 0.00 -0.02 0.00 0.00 56.01 56.65 1xej n LEU 83 Cb 0.15 -0.45 0.28 0.00 -1.62 0.00 0.00 43.42 41.78 1xej n LEU 83 CO 0.35 -0.33 0.74 0.18 -1.22 0.00 0.00 177.39 177.11 1xej n LEU 84 N -2.16 4.14 -4.54 2.23 4.77 -0.95 -3.98 117.00 116.51 1xej n LEU 84 Ca 0.04 -2.62 -0.34 0.00 -0.03 0.00 0.00 56.01 53.06 1xej n LEU 84 Cb 0.33 -0.50 -0.12 0.00 -2.33 0.00 0.00 43.42 40.80 1xej n LEU 84 CO 0.25 0.72 -0.39 -0.44 -1.33 0.00 0.00 177.39 176.20 1xej s SER 85 N -1.31 4.56 0.09 -1.43 0.01 -1.25 -4.49 113.70 109.89 1xej s SER 85 Ca 0.42 -0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.61 1xej s SER 85 Cb 0.30 -1.28 0.08 0.00 0.21 0.00 0.00 66.02 65.33 1xej s SER 85 CO 0.16 0.31 0.72 -1.20 0.41 0.00 0.00 173.24 173.64 1xej n SER 86 N 2.56 0.04 -4.51 2.44 7.64 -1.26 -3.79 113.62 116.74 1xej n SER 86 Ca -0.18 0.20 -0.42 0.00 1.01 0.00 0.00 58.87 59.47 1xej n SER 86 Cb 0.53 -0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.54 1xej n SER 86 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1xej s ASP 87 N -2.43 6.25 0.17 6.43 1.47 -1.26 -4.86 116.67 122.44 1xej s ASP 87 Ca -0.00 -0.57 0.22 0.00 1.18 0.00 0.00 52.55 53.38 1xej s ASP 87 Cb 0.00 -2.47 0.88 0.00 -0.34 0.00 0.00 42.92 40.99 1xej s ASP 87 CO 0.01 -1.46 1.66 0.00 0.68 0.00 0.00 175.17 176.06 1xej n ILE 88 N 6.18 0.81 0.01 2.11 3.06 -1.25 -4.06 119.36 126.22 1xej n ILE 88 Ca 0.01 0.17 0.00 0.00 -2.50 0.00 0.00 62.75 60.43 1xej n ILE 88 Cb 0.47 -1.02 0.00 0.00 0.54 0.00 0.00 39.64 39.63 1xej n ILE 88 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 1xej n THR 89 N -2.00 0.82 -0.03 9.51 -1.04 -1.26 -1.15 114.28 119.14 1xej n THR 89 Ca 0.03 0.21 0.04 0.00 -2.04 0.00 0.00 64.05 62.29 1xej n THR 89 Cb 0.24 -1.20 -0.13 0.00 -1.82 0.00 0.00 70.33 67.41 1xej n THR 89 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xej n ALA 90 N -1.21 2.37 -0.01 2.41 0.00 -1.26 -3.79 120.51 119.03 1xej n ALA 90 Ca 0.00 -0.58 -0.17 0.00 0.00 0.00 0.00 53.44 52.69 1xej n ALA 90 Cb 0.00 -0.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.85 1xej n ALA 90 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1xej h SER 91 N 0.00 0.24 -0.26 0.00 0.02 -1.42 -3.03 113.55 109.10 1xej h SER 91 Ca -0.11 -0.97 -0.03 0.00 -0.84 0.00 0.00 61.79 59.85 1xej h SER 91 Cb 1.10 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 1xej h SER 91 CO 0.01 1.19 0.06 0.58 -1.14 0.00 0.00 176.83 177.52 1xej h VAL 92 N -0.67 1.21 -0.90 2.27 2.07 -1.64 -0.03 116.25 118.56 1xej h VAL 92 Ca -0.07 -0.70 0.12 0.00 0.82 0.00 0.00 66.70 66.87 1xej h VAL 92 Cb 1.31 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 32.19 1xej h VAL 92 CO 0.08 0.22 0.58 0.78 0.02 0.00 0.00 177.57 179.25 1xej h ASN 93 N 0.24 0.75 0.19 0.57 2.35 -1.69 -2.57 115.58 115.42 1xej h ASN 93 Ca 0.08 0.03 -0.28 0.00 -0.55 0.00 0.00 56.30 55.59 1xej h ASN 93 Cb 0.28 -0.12 0.02 0.00 0.05 0.00 0.00 38.32 38.56 1xej h ASN 93 CO 0.00 0.41 -1.26 0.00 -1.65 0.00 0.00 177.43 174.93 1xej h ALA 95 N 0.10 0.71 0.00 0.00 0.00 -0.60 0.11 119.26 119.57 1xej h ALA 95 Ca -0.23 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xej h ALA 95 Cb 1.93 0.33 0.00 0.00 0.00 0.00 0.00 17.79 20.04 1xej h ALA 95 CO 0.20 -0.39 0.00 0.87 0.00 0.00 0.00 179.25 179.93 1xej h LYS 96 N 0.14 0.00 0.00 0.00 1.57 -1.65 0.91 116.57 117.54 1xej h LYS 96 Ca 0.36 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.11 1xej h LYS 96 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1xej h LYS 96 CO -0.55 0.00 -1.22 1.17 -0.57 0.00 0.00 179.45 178.27 1xej n LYS 97 N -2.94 0.62 0.04 3.15 4.81 0.31 -2.92 118.16 121.23 1xej n LYS 97 Ca -0.01 0.09 -0.02 0.00 -0.87 0.00 0.00 58.31 57.50 1xej n LYS 97 Cb 0.16 -1.78 -0.01 0.00 0.02 0.00 0.00 35.03 33.42 1xej n LYS 97 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1xej h ILE 98 N 0.00 0.00 -0.90 3.15 2.04 -0.48 -3.31 117.51 118.02 1xej h ILE 98 Ca -0.03 -0.38 0.25 0.00 1.00 0.00 0.00 64.86 65.70 1xej h ILE 98 Cb 1.11 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.03 1xej h ILE 98 CO 0.01 0.00 0.17 0.58 0.00 0.00 0.00 178.15 178.91 1xej h VAL 99 N -0.53 0.23 0.00 1.67 2.07 0.63 -1.20 116.25 119.12 1xej h VAL 99 Ca -0.02 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1xej h VAL 99 Cb 0.12 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1xej h VAL 99 CO 0.03 0.02 0.00 -1.20 0.02 0.00 0.00 177.57 176.44 1xej n SER 100 N -5.31 0.00 -3.92 0.57 7.64 -1.15 -3.61 113.62 107.84 1xej n SER 100 Ca 0.22 0.09 -0.30 0.00 1.01 0.00 0.00 58.87 59.89 1xej n SER 100 Cb 0.71 -0.11 -0.16 0.00 -1.01 0.00 0.00 64.21 63.64 1xej n SER 100 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xej s ASP 101 N -2.21 3.61 1.99 6.43 2.15 -0.45 -5.03 116.67 123.16 1xej s ASP 101 Ca 0.01 -1.06 0.00 0.00 0.43 0.00 0.00 52.55 51.93 1xej s ASP 101 Cb 0.00 -1.10 0.00 0.00 -0.30 0.00 0.00 42.92 41.53 1xej s ASP 101 CO 0.01 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.39 1xej n GLY 102 N 4.73 4.14 0.00 2.66 0.00 -1.26 -4.27 105.19 111.19 1xej n GLY 102 Ca -0.12 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1xej n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xej n ASN 103 N 7.61 0.00 0.00 1.61 6.94 -1.26 -4.88 115.26 125.29 1xej n ASN 103 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1xej n ASN 103 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1xej n ASN 103 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xej n GLY 104 N -0.15 1.37 0.00 4.83 0.00 -1.24 -1.18 105.19 108.83 1xej n GLY 104 Ca 0.00 -0.40 0.10 0.00 0.00 0.00 0.00 46.02 45.72 1xej n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xej n MET 105 N 9.51 0.55 0.00 1.61 2.81 -1.26 -3.35 117.12 126.98 1xej n MET 105 Ca 0.00 0.03 0.09 0.00 -1.81 0.00 0.00 57.70 56.00 1xej n MET 105 Cb 0.00 -1.50 0.53 0.00 -0.71 0.00 0.00 33.22 31.54 1xej n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1xej n ASN 106 N -1.07 0.00 -0.31 7.83 5.03 -0.33 -2.45 115.26 123.97 1xej n ASN 106 Ca 0.14 -1.03 0.11 0.00 0.87 0.00 0.00 54.58 54.67 1xej n ASN 106 Cb 0.09 0.00 0.04 0.00 -1.02 0.00 0.00 39.78 38.89 1xej n ASN 106 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xej n ALA 107 N -0.85 3.79 -3.18 5.41 0.00 -1.21 -4.42 120.51 120.04 1xej n ALA 107 Ca 0.13 -0.58 -0.32 0.00 0.00 0.00 0.00 53.44 52.67 1xej n ALA 107 Cb 0.06 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 1xej n ALA 107 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1xej n TRP 108 N -0.57 3.25 -0.12 0.00 8.01 -1.02 -4.99 117.44 122.00 1xej n TRP 108 Ca 0.08 -3.58 0.09 0.00 -1.31 0.00 0.00 57.50 52.79 1xej n TRP 108 Cb 0.41 -0.79 0.14 0.00 -2.01 0.00 0.00 31.31 29.06 1xej n TRP 108 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.69 178.23 1xej n VAL 109 N 0.75 -0.00 1.24 -0.99 3.14 -1.26 0.28 118.33 121.49 1xej n VAL 109 Ca 0.30 0.27 0.13 0.00 -2.96 0.00 0.00 64.34 62.08 1xej n VAL 109 Cb 0.37 -0.44 0.39 0.00 -1.06 0.00 0.00 33.84 33.10 1xej n VAL 109 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xej n ALA 110 N -2.18 3.07 -0.01 1.55 0.00 -1.26 -3.70 120.51 117.97 1xej n ALA 110 Ca 0.08 -0.39 -0.17 0.00 0.00 0.00 0.00 53.44 52.97 1xej n ALA 110 Cb 0.35 -1.15 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 1xej n ALA 110 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1xej n TRP 111 N -0.73 1.07 -3.20 0.00 -0.00 0.79 -2.95 117.44 112.43 1xej n TRP 111 Ca 0.12 0.28 -0.45 0.00 -0.00 0.00 0.00 57.50 57.45 1xej n TRP 111 Cb 0.34 -1.16 -0.01 0.00 -0.00 0.00 0.00 31.31 30.49 1xej n TRP 111 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 177.69 178.19 1xej s ARG 112 N -2.57 4.03 0.00 5.87 3.52 -1.21 -0.93 118.95 127.66 1xej s ARG 112 Ca -0.17 -2.81 0.00 0.00 -0.13 0.00 0.00 55.73 52.62 1xej s ARG 112 Cb 0.07 -4.71 0.00 0.00 -1.56 0.00 0.00 34.95 28.75 1xej s ARG 112 CO 0.78 -1.44 0.00 0.09 -0.81 0.00 0.00 175.30 173.92 1xej n ASN 113 N 4.02 0.00 0.00 -2.12 5.03 -1.26 -4.82 115.26 116.12 1xej n ASN 113 Ca 0.26 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.71 1xej n ASN 113 Cb 0.42 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.18 1xej n ASN 113 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1xej n ARG 114 N 0.00 4.79 0.00 3.52 1.74 -1.15 -4.97 116.66 120.58 1xej n ARG 114 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1xej n ARG 114 Cb 0.00 -0.43 0.00 0.00 -1.02 0.00 0.00 32.46 31.01 1xej n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xej s LYS 116 N -0.42 4.35 0.00 0.00 2.20 -0.11 -2.11 119.74 123.65 1xej s LYS 116 Ca 0.00 2.08 0.00 0.00 -0.36 0.00 0.00 55.97 57.69 1xej s LYS 116 Cb 0.00 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 1xej s LYS 116 CO 0.00 -0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 1xej n GLY 117 N 2.74 2.73 3.05 5.54 0.00 -1.26 -4.77 105.19 113.22 1xej n GLY 117 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 1xej n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xej n THR 118 N -2.00 0.00 -2.34 2.61 -2.24 -0.90 -5.00 114.28 104.42 1xej n THR 118 Ca 0.00 -1.40 -0.42 0.00 -2.27 0.00 0.00 64.05 59.96 1xej n THR 118 Cb 0.00 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.47 1xej n THR 118 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1xej n ASP 119 N -2.65 5.52 -0.10 3.42 9.92 -1.26 -4.83 116.55 126.57 1xej n ASP 119 Ca 0.13 -3.14 -0.07 0.00 -0.53 0.00 0.00 54.79 51.18 1xej n ASP 119 Cb 0.47 -1.45 -0.01 0.00 -0.64 0.00 0.00 41.12 39.49 1xej n ASP 119 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 1xej h VAL 120 N 3.58 0.30 0.00 2.53 -1.51 -1.93 -3.21 116.25 116.01 1xej h VAL 120 Ca 0.42 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.89 1xej h VAL 120 Cb 0.59 0.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.05 1xej h VAL 120 CO 1.59 0.00 0.00 1.67 -1.23 0.00 0.00 177.57 179.60 1xej n GLN 121 N -5.40 0.07 0.00 5.19 -0.06 -1.26 -0.45 117.38 115.47 1xej n GLN 121 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 1xej n GLN 121 Cb 0.32 -1.46 0.00 0.00 -4.06 0.00 0.00 30.24 25.04 1xej n GLN 121 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1xej n ALA 122 N 1.50 1.72 -0.11 1.69 0.00 -1.21 -4.55 120.51 119.55 1xej n ALA 122 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1xej n ALA 122 Cb 0.04 0.12 0.38 0.00 0.00 0.00 0.00 19.45 19.99 1xej n ALA 122 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1xej h TRP 123 N 0.00 0.67 0.00 0.00 4.06 -0.99 -2.83 115.95 116.86 1xej h TRP 123 Ca 0.00 0.02 -0.09 0.00 2.06 0.00 0.00 58.89 60.88 1xej h TRP 123 Cb 0.49 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.41 1xej h TRP 123 CO 0.00 0.39 -0.65 0.82 -3.56 0.00 0.00 178.44 175.44 1xej h ILE 124 N 0.69 0.54 -3.06 1.49 2.04 -1.82 -3.45 117.51 113.95 1xej h ILE 124 Ca 0.25 -1.82 -0.56 0.00 1.00 0.00 0.00 64.86 63.73 1xej h ILE 124 Cb 0.12 2.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 1xej h ILE 124 CO -0.07 0.31 0.75 -0.13 0.00 0.00 0.00 178.15 179.01 1xej s ARG 125 N -3.04 4.32 0.00 2.37 1.81 -1.07 -3.87 118.95 119.47 1xej s ARG 125 Ca 0.03 1.60 0.00 0.00 -1.72 0.00 0.00 55.73 55.64 1xej s ARG 125 Cb 0.08 -3.62 0.00 0.00 -0.45 0.00 0.00 34.95 30.95 1xej s ARG 125 CO 0.75 -0.52 0.00 0.41 -0.68 0.00 0.00 175.30 175.26 1xej n GLY 126 N 3.40 1.75 0.47 -3.53 0.00 -1.26 -4.94 105.19 101.07 1xej n GLY 126 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1xej n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xej n ARG 128 N -0.05 -1.30 0.00 0.00 5.12 -1.26 -4.89 116.66 114.28 1xej n ARG 128 Ca 0.01 1.39 0.00 0.00 -1.93 0.00 0.00 57.85 57.32 1xej n ARG 128 Cb 0.24 -3.81 0.00 0.00 -1.16 0.00 0.00 32.46 27.73 1xej n ARG 128 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59