#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jtc n PHE 1 N 0.00 1.48 -2.89 -1.40 7.35 -1.26 -5.02 117.46 115.72 1jtc n PHE 1 Ca 0.00 -1.86 -0.41 0.00 -0.76 0.00 0.00 57.45 54.41 1jtc n PHE 1 Cb 0.00 -0.26 -0.04 0.00 0.35 0.00 0.00 39.48 39.53 1jtc n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1jtc s ASN 2 N -3.41 7.03 0.14 -2.13 0.01 -1.26 -5.03 114.94 110.29 1jtc s ASN 2 Ca 0.39 1.26 0.08 0.00 -0.71 0.00 0.00 52.86 53.87 1jtc s ASN 2 Cb 0.37 -2.46 -0.04 0.00 0.41 0.00 0.00 41.25 39.53 1jtc s ASN 2 CO -0.03 -0.32 -0.09 -0.76 -1.51 0.00 0.00 177.10 174.39 1jtc s LEU 3 N 1.71 3.05 0.64 0.60 1.43 -1.26 -1.09 118.68 123.75 1jtc s LEU 3 Ca 0.40 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 1jtc s LEU 3 Cb -0.17 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1jtc s LEU 3 CO 0.16 0.14 1.04 -2.16 0.23 0.00 0.00 176.35 175.75 1jtc s PRO 4 N -2.54 3.46 0.00 1.29 0.04 -1.26 -4.67 135.00 131.32 1jtc s PRO 4 Ca 0.23 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1jtc s PRO 4 Cb -0.10 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1jtc s PRO 4 CO 0.15 -0.68 0.00 -0.35 0.04 0.00 0.00 177.00 176.16 1jtc n PRO 5 N -2.83 1.66 -1.36 0.56 -0.04 -1.26 -4.96 135.00 126.76 1jtc n PRO 5 Ca 0.06 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.69 1jtc n PRO 5 Cb 0.54 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.93 1jtc n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jtc n GLY 6 N 4.40 -2.60 0.00 0.55 0.00 -1.26 -5.02 105.19 101.26 1jtc n GLY 6 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1jtc n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jtc n ASN 7 N -4.29 1.49 -0.48 1.61 0.23 -1.26 -5.06 115.26 107.49 1jtc n ASN 7 Ca -0.05 -0.72 0.06 0.00 -0.53 0.00 0.00 54.58 53.34 1jtc n ASN 7 Cb 0.65 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 38.50 1jtc n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1jtc n TYR 8 N -0.18 0.42 -0.14 -2.53 4.01 -1.26 -4.75 117.16 112.72 1jtc n TYR 8 Ca 0.00 -0.68 -0.03 0.00 -0.16 0.00 0.00 57.90 57.03 1jtc n TYR 8 Cb 0.00 -0.13 0.05 0.00 -0.31 0.00 0.00 39.34 38.95 1jtc n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1jtc h LYS 9 N 1.22 0.11 -6.39 -0.72 6.56 -1.97 -3.43 116.57 111.95 1jtc h LYS 9 Ca 0.00 -0.01 -0.64 0.00 -1.06 0.00 0.00 60.65 58.94 1jtc h LYS 9 Cb 0.92 -0.03 -0.12 0.00 -0.57 0.00 0.00 32.23 32.43 1jtc h LYS 9 CO 0.06 0.08 -0.68 0.15 -2.06 0.00 0.00 179.45 177.00 1jtc s LYS 10 N -6.17 2.43 0.80 3.15 1.02 -1.26 -5.09 119.74 114.61 1jtc s LYS 10 Ca -0.13 -0.94 -0.12 0.00 0.02 0.00 0.00 55.97 54.80 1jtc s LYS 10 Cb 0.15 -2.45 0.08 0.00 -0.52 0.00 0.00 37.83 35.09 1jtc s LYS 10 CO 0.72 0.51 1.14 -1.25 -0.92 0.00 0.00 175.35 175.55 1jtc s PRO 11 N -2.44 1.88 0.15 -1.68 0.04 -1.26 -4.75 135.00 126.94 1jtc s PRO 11 Ca 0.25 1.46 -0.01 0.00 0.04 0.00 0.00 61.00 62.74 1jtc s PRO 11 Cb -0.11 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 1jtc s PRO 11 CO 0.17 -1.97 0.08 0.15 0.04 0.00 0.00 177.00 175.48 1jtc s LYS 12 N -4.49 1.02 -0.06 4.56 -0.14 0.11 -4.18 119.74 116.57 1jtc s LYS 12 Ca 0.67 -1.51 -0.03 0.00 -1.36 0.00 0.00 55.97 53.74 1jtc s LYS 12 Cb -0.22 0.24 -0.04 0.00 -1.68 0.00 0.00 37.83 36.13 1jtc s LYS 12 CO 0.52 -0.30 0.10 -0.51 -0.76 0.00 0.00 175.35 174.40 1jtc s LEU 13 N -3.09 4.07 -0.50 3.17 1.43 0.11 -1.02 118.68 122.84 1jtc s LEU 13 Ca 0.29 0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 53.61 1jtc s LEU 13 Cb 0.07 -2.18 0.13 0.00 0.03 0.00 0.00 46.19 44.25 1jtc s LEU 13 CO 0.05 0.33 0.34 -0.76 0.23 0.00 0.00 176.35 176.55 1jtc s LEU 14 N -1.39 5.52 -0.14 1.79 1.43 -1.26 -0.53 118.68 124.10 1jtc s LEU 14 Ca 0.19 -2.20 -0.20 0.00 -1.03 0.00 0.00 54.13 50.89 1jtc s LEU 14 Cb -0.12 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1jtc s LEU 14 CO 0.09 -0.57 0.59 -0.47 0.23 0.00 0.00 176.35 176.23 1jtc s TYR 15 N 0.92 3.47 -0.27 0.29 5.04 -0.42 -1.33 117.35 125.04 1jtc s TYR 15 Ca 0.10 0.98 -0.11 0.00 -2.44 0.00 0.00 57.07 55.60 1jtc s TYR 15 Cb -0.23 -2.71 -0.05 0.00 0.35 0.00 0.00 41.96 39.32 1jtc s TYR 15 CO -0.03 0.01 0.18 0.00 -1.34 0.00 0.00 175.55 174.37 1jtc h SER 17 N 8.28 0.79 -0.14 0.00 0.87 -1.80 -0.04 113.55 121.52 1jtc h SER 17 Ca -0.35 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.24 1jtc h SER 17 Cb 1.19 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 1jtc h SER 17 CO 0.56 0.49 -0.23 -1.13 -0.53 0.00 0.00 176.83 175.99 1jtc h ASN 18 N 0.89 -0.75 -0.12 6.23 -1.24 -1.82 -3.27 115.58 115.50 1jtc h ASN 18 Ca 0.38 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.49 1jtc h ASN 18 Cb 0.32 0.30 0.00 0.00 0.73 0.00 0.00 38.32 39.67 1jtc h ASN 18 CO -0.15 -0.17 0.00 0.61 -1.29 0.00 0.00 177.43 176.43 1jtc n GLY 19 N -1.16 2.78 2.47 1.57 0.00 -1.24 -4.73 105.19 104.88 1jtc n GLY 19 Ca -0.02 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 1jtc n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jtc n GLY 20 N -0.12 -0.02 3.48 -0.02 0.00 -0.06 -4.95 105.19 103.50 1jtc n GLY 20 Ca 0.04 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 1jtc n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jtc s HIS 21 N -3.21 2.38 -0.19 1.61 3.76 -0.99 -4.54 115.29 114.11 1jtc s HIS 21 Ca 0.05 -0.32 -0.10 0.00 -0.15 0.00 0.00 55.06 54.54 1jtc s HIS 21 Cb -0.02 -1.11 -0.05 0.00 1.11 0.00 0.00 32.58 32.51 1jtc s HIS 21 CO 0.43 0.59 0.14 -0.06 -0.85 0.00 0.00 174.74 174.99 1jtc s PHE 22 N -2.02 3.43 0.33 1.40 0.08 0.18 0.53 117.98 121.90 1jtc s PHE 22 Ca 0.25 0.36 -0.29 0.00 0.12 0.00 0.00 56.93 57.37 1jtc s PHE 22 Cb -0.07 -2.16 -0.12 0.00 -0.57 0.00 0.00 43.02 40.10 1jtc s PHE 22 CO 0.13 0.31 1.46 -0.11 -0.10 0.00 0.00 175.22 176.92 1jtc n LEU 23 N 3.43 4.17 -3.85 -0.37 7.94 -0.44 -1.16 117.00 126.71 1jtc n LEU 23 Ca -0.16 1.19 -0.13 0.00 -1.11 0.00 0.00 56.01 55.80 1jtc n LEU 23 Cb 0.52 -1.56 -0.14 0.00 0.53 0.00 0.00 43.42 42.77 1jtc n LEU 23 CO 0.37 -0.07 -0.35 -0.60 -1.11 0.00 0.00 177.39 175.63 1jtc s ARG 24 N -1.39 0.00 -0.29 1.96 3.52 0.83 -4.41 118.95 119.18 1jtc s ARG 24 Ca 0.59 0.05 0.01 0.00 -0.13 0.00 0.00 55.73 56.25 1jtc s ARG 24 Cb -0.52 -0.05 0.06 0.00 -1.56 0.00 0.00 34.95 32.88 1jtc s ARG 24 CO 0.57 -0.04 -0.05 0.42 -0.81 0.00 0.00 175.30 175.40 1jtc s ILE 25 N 0.23 2.53 0.58 4.11 1.01 -1.09 -1.03 121.20 127.54 1jtc s ILE 25 Ca -0.02 -1.60 -0.15 0.00 0.00 0.00 0.00 60.65 58.88 1jtc s ILE 25 Cb -0.03 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.89 1jtc s ILE 25 CO -0.01 -0.12 1.03 -0.76 0.00 0.00 0.00 174.94 175.09 1jtc s LEU 26 N 1.15 3.49 0.50 2.97 1.43 0.22 -4.83 118.68 123.61 1jtc s LEU 26 Ca -0.06 1.69 0.33 0.00 -1.03 0.00 0.00 54.13 55.07 1jtc s LEU 26 Cb -0.20 -4.52 1.46 0.00 0.03 0.00 0.00 46.19 42.96 1jtc s LEU 26 CO -0.04 -0.99 1.76 -0.65 0.23 0.00 0.00 176.35 176.67 1jtc h PRO 27 N 0.43 0.09 -0.01 1.29 0.11 -1.98 0.50 132.00 132.43 1jtc h PRO 27 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1jtc h PRO 27 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1jtc h PRO 27 CO 0.59 0.06 0.00 -0.40 -0.21 0.00 0.00 178.00 178.04 1jtc n ASP 28 N -4.30 0.06 0.00 -2.05 5.68 -1.26 -4.83 116.55 109.85 1jtc n ASP 28 Ca 0.28 -1.56 0.00 0.00 -0.50 0.00 0.00 54.79 53.01 1jtc n ASP 28 Cb 1.25 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 41.22 1jtc n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jtc n GLY 29 N 0.74 0.82 3.75 6.12 0.00 0.17 -4.95 105.19 111.83 1jtc n GLY 29 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1jtc n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jtc s THR 30 N -2.65 3.69 -0.03 2.61 2.01 -1.22 -1.17 115.64 118.89 1jtc s THR 30 Ca 0.00 1.60 0.05 0.00 0.31 0.00 0.00 61.69 63.65 1jtc s THR 30 Cb 0.00 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 1jtc s THR 30 CO 0.00 0.34 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.40 1jtc s VAL 31 N -0.77 2.75 0.00 3.82 1.01 -1.26 0.71 120.40 126.66 1jtc s VAL 31 Ca 0.46 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1jtc s VAL 31 Cb -0.30 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1jtc s VAL 31 CO 0.38 0.55 0.00 -0.90 0.00 0.00 0.00 175.10 175.13 1jtc n ASP 32 N 2.24 0.00 -4.20 3.32 5.75 -0.20 -4.59 116.55 118.87 1jtc n ASP 32 Ca -0.17 -0.14 -0.21 0.00 -0.01 0.00 0.00 54.79 54.27 1jtc n ASP 32 Cb 0.52 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.48 1jtc n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1jtc s GLY 33 N -0.62 0.95 0.03 6.12 0.00 0.54 -0.12 107.32 114.22 1jtc s GLY 33 Ca 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 44.72 43.73 1jtc s GLY 33 CO 0.00 -1.00 -0.06 -1.08 0.00 0.00 0.00 173.10 170.96 1jtc s THR 34 N -1.06 0.44 -1.70 0.90 -1.32 -0.31 -4.81 115.64 107.79 1jtc s THR 34 Ca 0.02 -0.82 0.26 0.00 -1.21 0.00 0.00 61.69 59.94 1jtc s THR 34 Cb -0.09 -0.48 0.23 0.00 -1.51 0.00 0.00 72.50 70.64 1jtc s THR 34 CO 0.02 -0.27 1.53 0.54 -2.21 0.00 0.00 174.62 174.23 1jtc n ARG 35 N 1.88 0.78 -2.53 7.08 1.74 -1.26 0.47 116.66 124.81 1jtc n ARG 35 Ca -0.20 -0.47 -0.41 0.00 -0.77 0.00 0.00 57.85 55.99 1jtc n ARG 35 Cb 0.56 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 1jtc n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1jtc s ASP 36 N -2.55 6.22 0.14 0.55 2.15 -1.26 -4.86 116.67 117.07 1jtc s ASP 36 Ca 0.23 -0.19 0.14 0.00 0.43 0.00 0.00 52.55 53.16 1jtc s ASP 36 Cb 0.19 -2.56 0.67 0.00 -0.30 0.00 0.00 42.92 40.92 1jtc s ASP 36 CO 0.54 -1.74 1.44 -1.14 -0.17 0.00 0.00 175.17 174.10 1jtc n ARG 37 N 9.03 0.08 0.00 4.34 0.63 -1.26 -1.37 116.66 128.11 1jtc n ARG 37 Ca 0.06 0.46 0.13 0.00 -0.92 0.00 0.00 57.85 57.59 1jtc n ARG 37 Cb 0.49 -1.70 0.48 0.00 0.45 0.00 0.00 32.46 32.18 1jtc n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1jtc n SER 38 N -1.86 0.82 -4.75 6.15 3.41 -1.26 -4.93 113.62 111.20 1jtc n SER 38 Ca 0.01 -0.79 -0.40 0.00 -0.26 0.00 0.00 58.87 57.42 1jtc n SER 38 Cb 0.10 0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.11 1jtc n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jtc n ASP 39 N -0.73 3.23 -0.42 4.04 -0.08 -0.47 -4.89 116.55 117.24 1jtc n ASP 39 Ca 0.13 1.13 0.13 0.00 -1.51 0.00 0.00 54.79 54.68 1jtc n ASP 39 Cb 0.32 -1.59 0.53 0.00 2.34 0.00 0.00 41.12 42.73 1jtc n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jtc n GLN 40 N -0.07 1.57 -0.22 -0.67 1.13 -1.26 -3.89 117.38 113.97 1jtc n GLN 40 Ca 0.05 -0.83 0.06 0.00 -1.94 0.00 0.00 57.00 54.34 1jtc n GLN 40 Cb 0.41 -1.45 0.16 0.00 0.11 0.00 0.00 30.24 29.47 1jtc n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1jtc n HIS 41 N 0.02 0.49 0.53 1.08 8.25 -1.26 -4.55 115.22 119.78 1jtc n HIS 41 Ca 0.18 -0.64 0.09 0.00 -0.26 0.00 0.00 57.72 57.09 1jtc n HIS 41 Cb 0.30 -0.12 0.11 0.00 1.12 0.00 0.00 29.99 31.40 1jtc n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1jtc n ILE 42 N -0.06 0.21 -3.49 1.59 -5.35 -1.25 -2.65 119.36 108.36 1jtc n ILE 42 Ca 0.13 -0.61 -0.37 0.00 -0.27 0.00 0.00 62.75 61.63 1jtc n ILE 42 Cb 0.54 1.19 -0.07 0.00 -1.74 0.00 0.00 39.64 39.56 1jtc n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1jtc s GLN 43 N -1.40 4.26 0.10 6.28 1.11 -1.26 -4.36 119.66 124.39 1jtc s GLN 43 Ca 0.25 0.16 0.08 0.00 0.01 0.00 0.00 55.36 55.85 1jtc s GLN 43 Cb 0.16 -3.44 -0.03 0.00 -1.01 0.00 0.00 33.01 28.68 1jtc s GLN 43 CO 0.23 0.19 -0.19 -0.06 0.01 0.00 0.00 175.29 175.47 1jtc s PHE 44 N 0.60 1.67 -0.26 0.91 0.08 -0.19 -1.35 117.98 119.43 1jtc s PHE 44 Ca 0.18 -0.43 -0.04 0.00 0.12 0.00 0.00 56.93 56.76 1jtc s PHE 44 Cb -0.13 -0.91 0.01 0.00 -0.57 0.00 0.00 43.02 41.42 1jtc s PHE 44 CO 0.05 0.18 0.00 -1.14 -0.10 0.00 0.00 175.22 174.21 1jtc s GLN 45 N -1.93 3.04 0.12 0.44 2.00 0.13 0.10 119.66 123.55 1jtc s GLN 45 Ca 0.05 -0.86 -0.06 0.00 -2.00 0.00 0.00 55.36 52.49 1jtc s GLN 45 Cb -0.10 -3.15 -0.06 0.00 0.80 0.00 0.00 33.01 30.51 1jtc s GLN 45 CO 0.04 -0.38 0.38 -0.51 -0.50 0.00 0.00 175.29 174.32 1jtc s LEU 46 N 1.42 4.29 -0.01 3.68 1.02 -1.26 -1.60 118.68 126.23 1jtc s LEU 46 Ca 0.02 0.65 -0.06 0.00 0.02 0.00 0.00 54.13 54.76 1jtc s LEU 46 Cb -0.16 -3.19 0.00 0.00 0.02 0.00 0.00 46.19 42.86 1jtc s LEU 46 CO -0.01 0.09 0.13 -0.94 0.02 0.00 0.00 176.35 175.64 1jtc s SER 47 N -2.20 -0.00 -0.15 2.29 1.04 -0.74 -4.70 113.70 109.24 1jtc s SER 47 Ca 0.38 -0.10 -0.13 0.00 0.48 0.00 0.00 55.95 56.58 1jtc s SER 47 Cb -0.13 0.22 -0.05 0.00 0.10 0.00 0.00 66.02 66.17 1jtc s SER 47 CO 0.22 -0.28 0.28 0.00 0.98 0.00 0.00 173.24 174.44 1jtc s ALA 48 N -1.01 3.63 0.00 5.32 0.00 -1.26 -1.26 121.76 127.18 1jtc s ALA 48 Ca -0.11 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1jtc s ALA 48 Cb -0.06 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.71 1jtc s ALA 48 CO 0.01 0.17 0.00 0.39 0.00 0.00 0.00 175.76 176.33 1jtc n GLU 49 N 3.29 0.00 -2.99 0.00 4.71 0.56 -4.98 120.64 121.23 1jtc n GLU 49 Ca -0.13 0.00 -0.19 0.00 -0.01 0.00 0.00 57.16 56.84 1jtc n GLU 49 Cb 0.52 -0.18 0.04 0.00 -1.01 0.00 0.00 31.44 30.81 1jtc n GLU 49 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1jtc s SER 50 N -1.00 5.36 0.19 1.62 0.01 -1.25 -4.94 113.70 113.69 1jtc s SER 50 Ca 0.00 -0.58 -0.32 0.00 1.31 0.00 0.00 55.95 56.37 1jtc s SER 50 Cb 0.00 -0.25 -0.12 0.00 0.21 0.00 0.00 66.02 65.87 1jtc s SER 50 CO 0.00 -1.06 1.72 -0.69 0.41 0.00 0.00 173.24 173.62 1jtc s VAL 51 N -2.53 2.16 0.00 3.43 1.01 -1.26 -1.18 120.40 122.03 1jtc s VAL 51 Ca 0.58 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1jtc s VAL 51 Cb -0.08 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1jtc s VAL 51 CO 0.36 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1jtc n GLY 52 N 3.99 1.53 3.47 4.51 0.00 -1.26 -5.01 105.19 112.42 1jtc n GLY 52 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1jtc n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jtc s GLU 53 N -0.22 3.54 0.16 1.61 2.02 -0.32 -0.64 118.70 124.85 1jtc s GLU 53 Ca 0.00 -0.57 0.03 0.00 0.02 0.00 0.00 54.97 54.45 1jtc s GLU 53 Cb 0.00 -2.81 -0.05 0.00 0.10 0.00 0.00 34.13 31.37 1jtc s GLU 53 CO 0.00 0.26 -0.04 0.14 0.02 0.00 0.00 175.26 175.64 1jtc s VAL 54 N 0.28 0.82 -0.03 2.63 -7.23 0.65 -0.33 120.40 117.20 1jtc s VAL 54 Ca -0.05 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.15 1jtc s VAL 54 Cb -0.14 -1.98 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 1jtc s VAL 54 CO 0.04 -0.61 -0.08 -0.31 -0.31 0.00 0.00 175.10 173.83 1jtc s TYR 55 N -3.56 2.89 -0.29 2.82 2.02 -0.39 -1.07 117.35 119.79 1jtc s TYR 55 Ca 0.20 -0.02 0.02 0.00 -0.37 0.00 0.00 57.07 56.90 1jtc s TYR 55 Cb 0.05 -1.66 0.08 0.00 -0.40 0.00 0.00 41.96 40.03 1jtc s TYR 55 CO 0.02 0.34 -0.00 0.42 -1.57 0.00 0.00 175.55 174.75 1jtc s ILE 56 N -0.89 1.80 -0.10 2.71 1.01 -1.26 -1.79 121.20 122.68 1jtc s ILE 56 Ca 0.14 -1.71 0.02 0.00 0.00 0.00 0.00 60.65 59.10 1jtc s ILE 56 Cb -0.11 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.18 1jtc s ILE 56 CO 0.04 -0.35 -0.15 -0.75 0.00 0.00 0.00 174.94 173.73 1jtc s LYS 57 N 1.21 3.07 0.04 2.79 2.20 -0.63 -0.76 119.74 127.66 1jtc s LYS 57 Ca 0.02 -0.72 -0.30 0.00 -0.36 0.00 0.00 55.97 54.60 1jtc s LYS 57 Cb -0.19 -2.50 -0.08 0.00 -1.51 0.00 0.00 37.83 33.55 1jtc s LYS 57 CO -0.10 0.33 1.66 0.45 -0.36 0.00 0.00 175.35 177.34 1jtc s SER 58 N 0.03 6.62 0.33 1.43 0.15 0.41 0.19 113.70 122.87 1jtc s SER 58 Ca -0.05 2.43 0.17 0.00 0.70 0.00 0.00 55.95 59.20 1jtc s SER 58 Cb -0.15 -2.55 0.48 0.00 -1.71 0.00 0.00 66.02 62.09 1jtc s SER 58 CO 0.04 -0.90 1.64 0.71 1.20 0.00 0.00 173.24 175.94 1jtc h THR 59 N 5.02 0.95 0.04 6.45 1.35 -1.55 0.18 112.91 125.34 1jtc h THR 59 Ca -0.42 -1.81 -0.11 0.00 -0.55 0.00 0.00 66.41 63.52 1jtc h THR 59 Cb 1.20 2.10 0.01 0.00 -1.73 0.00 0.00 68.15 69.73 1jtc h THR 59 CO 0.93 0.44 -0.44 -0.08 -0.25 0.00 0.00 175.52 176.12 1jtc h GLU 60 N 0.00 0.24 0.00 4.72 4.57 -1.80 -3.39 114.58 118.91 1jtc h GLU 60 Ca -0.00 -0.30 -0.04 0.00 -1.18 0.00 0.00 59.36 57.83 1jtc h GLU 60 Cb 1.06 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 1jtc h GLU 60 CO 0.06 1.06 -1.89 0.25 -1.18 0.00 0.00 179.01 177.30 1jtc n THR 61 N -4.35 0.14 -0.81 0.32 -2.24 -1.24 -4.99 114.28 101.11 1jtc n THR 61 Ca -0.11 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1jtc n THR 61 Cb 0.62 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1jtc n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jtc n GLY 62 N 1.50 0.93 3.75 3.38 0.00 0.61 -5.01 105.19 110.35 1jtc n GLY 62 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1jtc n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jtc s GLN 63 N -0.18 4.63 -0.00 1.61 -0.21 -1.25 -4.66 119.66 119.59 1jtc s GLN 63 Ca 0.00 1.78 -0.15 0.00 0.02 0.00 0.00 55.36 57.01 1jtc s GLN 63 Cb 0.00 -3.22 -0.06 0.00 1.00 0.00 0.00 33.01 30.74 1jtc s GLN 63 CO 0.00 0.18 0.40 0.71 -2.12 0.00 0.00 175.29 174.46 1jtc s TYR 64 N -0.89 3.73 0.20 0.91 1.51 0.11 -0.44 117.35 122.47 1jtc s TYR 64 Ca 0.46 0.98 -0.30 0.00 -1.01 0.00 0.00 57.07 57.20 1jtc s TYR 64 Cb -0.31 -2.28 -0.08 0.00 -0.11 0.00 0.00 41.96 39.17 1jtc s TYR 64 CO 0.39 0.65 1.23 -1.17 -1.11 0.00 0.00 175.55 175.54 1jtc s LEU 65 N -1.07 4.44 0.10 -1.29 2.96 0.06 0.21 118.68 124.10 1jtc s LEU 65 Ca 0.23 2.31 -0.07 0.00 -0.22 0.00 0.00 54.13 56.38 1jtc s LEU 65 Cb -0.17 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.90 1jtc s LEU 65 CO 0.13 -0.42 0.17 0.00 -1.32 0.00 0.00 176.35 174.91 1jtc s ALA 66 N -0.07 -0.03 -0.12 5.97 0.00 -0.33 -4.40 121.76 122.78 1jtc s ALA 66 Ca 0.54 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.71 1jtc s ALA 66 Cb -0.34 0.54 0.02 0.00 0.00 0.00 0.00 23.12 23.34 1jtc s ALA 66 CO 0.38 -0.51 -0.13 1.41 0.00 0.00 0.00 175.76 176.91 1jtc s MET 67 N -3.90 2.03 1.06 0.00 1.75 -0.45 -0.72 119.30 119.08 1jtc s MET 67 Ca 0.08 -0.47 -0.18 0.00 -1.25 0.00 0.00 55.69 53.87 1jtc s MET 67 Cb 0.05 -1.85 0.25 0.00 2.84 0.00 0.00 34.83 36.11 1jtc s MET 67 CO -0.08 -0.17 1.29 0.16 -0.65 0.00 0.00 175.02 175.56 1jtc s ASP 68 N 1.33 2.23 0.59 1.11 1.47 0.63 -4.78 116.67 119.25 1jtc s ASP 68 Ca 0.00 0.26 0.33 0.00 1.18 0.00 0.00 52.55 54.32 1jtc s ASP 68 Cb -0.14 -0.26 1.83 0.00 -0.34 0.00 0.00 42.92 44.02 1jtc s ASP 68 CO -0.06 -3.28 2.21 0.00 0.68 0.00 0.00 175.17 174.71 1jtc h THR 69 N -2.02 0.37 -0.72 2.11 1.03 -2.01 -0.78 112.91 110.89 1jtc h THR 69 Ca -0.44 -0.21 0.00 0.00 -0.01 0.00 0.00 66.41 65.76 1jtc h THR 69 Cb 1.23 1.15 0.00 0.00 -1.07 0.00 0.00 68.15 69.46 1jtc h THR 69 CO 0.31 0.04 0.00 0.47 -0.01 0.00 0.00 175.52 176.33 1jtc n ASP 70 N -3.54 3.99 0.00 0.00 8.00 -1.26 -4.92 116.55 118.82 1jtc n ASP 70 Ca -0.02 -2.05 0.00 0.00 0.71 0.00 0.00 54.79 53.42 1jtc n ASP 70 Cb 0.14 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 1jtc n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jtc n GLY 71 N 1.59 0.63 3.79 0.44 0.00 -0.30 -4.64 105.19 106.71 1jtc n GLY 71 Ca 0.24 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1jtc n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jtc s LEU 72 N 0.00 4.40 0.25 0.99 1.43 -1.26 -0.96 118.68 123.53 1jtc s LEU 72 Ca 0.00 0.89 -0.30 0.00 -1.03 0.00 0.00 54.13 53.70 1jtc s LEU 72 Cb 0.00 -2.61 -0.09 0.00 0.03 0.00 0.00 46.19 43.52 1jtc s LEU 72 CO 0.00 0.21 0.99 -0.76 0.23 0.00 0.00 176.35 177.03 1jtc s LEU 73 N -0.47 4.61 0.15 1.79 1.43 -1.26 -0.27 118.68 124.66 1jtc s LEU 73 Ca 0.24 2.05 -0.14 0.00 -1.03 0.00 0.00 54.13 55.25 1jtc s LEU 73 Cb -0.16 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.46 1jtc s LEU 73 CO 0.12 0.05 0.38 -0.72 0.23 0.00 0.00 176.35 176.41 1jtc s TYR 74 N -1.12 -0.00 -0.26 0.29 1.13 0.10 -4.51 117.35 112.98 1jtc s TYR 74 Ca 0.42 -0.35 -0.15 0.00 -1.41 0.00 0.00 57.07 55.59 1jtc s TYR 74 Cb -0.28 0.18 -0.04 0.00 -1.10 0.00 0.00 41.96 40.72 1jtc s TYR 74 CO 0.35 -0.74 0.36 0.20 -2.51 0.00 0.00 175.55 173.21 1jtc s GLY 75 N -2.86 1.91 -0.15 5.49 0.00 -0.31 -1.18 107.32 110.21 1jtc s GLY 75 Ca 0.08 -0.80 -0.07 0.00 0.00 0.00 0.00 44.72 43.93 1jtc s GLY 75 CO -0.07 0.92 0.10 -0.45 0.00 0.00 0.00 173.10 173.60 1jtc s SER 76 N 1.55 5.99 0.23 1.64 0.15 0.13 -4.71 113.70 118.68 1jtc s SER 76 Ca 0.15 0.27 0.04 0.00 0.70 0.00 0.00 55.95 57.11 1jtc s SER 76 Cb -0.16 -1.96 0.21 0.00 -1.71 0.00 0.00 66.02 62.41 1jtc s SER 76 CO 0.09 0.30 1.53 1.56 1.20 0.00 0.00 173.24 177.93 1jtc h GLN 77 N 5.80 0.24 -6.77 5.44 1.08 -1.90 0.33 115.11 119.33 1jtc h GLN 77 Ca -0.47 -0.18 -0.69 0.00 -1.45 0.00 0.00 58.65 55.87 1jtc h GLN 77 Cb 1.19 0.03 -0.22 0.00 -0.05 0.00 0.00 27.48 28.43 1jtc h GLN 77 CO 0.64 0.80 -0.85 0.95 -0.95 0.00 0.00 178.83 179.43 1jtc s THR 78 N -3.69 2.46 0.20 -0.54 -4.23 -1.26 -4.78 115.64 103.79 1jtc s THR 78 Ca -0.04 -1.53 -0.30 0.00 -1.18 0.00 0.00 61.69 58.65 1jtc s THR 78 Cb 0.12 -2.06 -0.08 0.00 1.34 0.00 0.00 72.50 71.81 1jtc s THR 78 CO 0.80 0.19 1.10 -2.16 -0.54 0.00 0.00 174.62 174.01 1jtc s PRO 79 N -1.80 4.61 0.35 3.99 0.04 -1.26 -4.88 135.00 136.05 1jtc s PRO 79 Ca 0.15 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 62.90 1jtc s PRO 79 Cb -0.10 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1jtc s PRO 79 CO 0.06 0.11 0.47 0.54 0.04 0.00 0.00 177.00 178.22 1jtc s ASN 80 N -0.27 1.05 0.62 6.66 2.20 -1.26 -5.03 114.94 118.90 1jtc s ASN 80 Ca 0.48 -1.54 0.33 0.00 -0.94 0.00 0.00 52.86 51.20 1jtc s ASN 80 Cb -0.30 0.67 1.89 0.00 -2.00 0.00 0.00 41.25 41.51 1jtc s ASN 80 CO 0.36 -1.30 2.19 1.05 -2.94 0.00 0.00 177.10 176.46 1jtc h GLU 81 N 2.09 0.00 0.00 3.55 4.11 -1.99 0.15 114.58 122.49 1jtc h GLU 81 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1jtc h GLU 81 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1jtc h GLU 81 CO 0.38 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.85 1jtc n GLU 82 N -3.55 0.21 0.00 1.06 1.02 -1.26 -3.49 120.64 114.63 1jtc n GLU 82 Ca -0.01 0.02 0.11 0.00 -0.02 0.00 0.00 57.16 57.26 1jtc n GLU 82 Cb 0.20 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.24 1jtc n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jtc s LEU 84 N -3.08 4.45 0.06 0.00 1.43 -1.23 -4.52 118.68 115.80 1jtc s LEU 84 Ca 0.09 1.27 0.05 0.00 -1.03 0.00 0.00 54.13 54.51 1jtc s LEU 84 Cb 0.17 -3.01 -0.03 0.00 0.03 0.00 0.00 46.19 43.35 1jtc s LEU 84 CO 0.76 0.11 -0.14 -0.36 0.23 0.00 0.00 176.35 176.95 1jtc s PHE 85 N -0.32 1.17 -0.39 0.29 0.40 -0.23 -1.13 117.98 117.77 1jtc s PHE 85 Ca 0.33 -0.45 -0.19 0.00 -0.60 0.00 0.00 56.93 56.02 1jtc s PHE 85 Cb -0.19 -0.66 0.01 0.00 0.51 0.00 0.00 43.02 42.69 1jtc s PHE 85 CO 0.19 0.04 0.57 -0.51 0.70 0.00 0.00 175.22 176.21 1jtc s LEU 86 N -1.65 4.44 -0.32 -0.37 1.43 0.93 -0.25 118.68 122.88 1jtc s LEU 86 Ca -0.02 -0.17 -0.21 0.00 -1.03 0.00 0.00 54.13 52.69 1jtc s LEU 86 Cb -0.10 -2.64 -0.00 0.00 0.03 0.00 0.00 46.19 43.48 1jtc s LEU 86 CO 0.02 -0.61 0.68 -0.70 0.23 0.00 0.00 176.35 175.97 1jtc s GLU 87 N 2.56 3.85 0.16 1.70 2.12 0.19 -1.28 118.70 128.00 1jtc s GLU 87 Ca 0.20 0.31 0.06 0.00 0.36 0.00 0.00 54.97 55.90 1jtc s GLU 87 Cb -0.15 -3.75 -0.04 0.00 0.26 0.00 0.00 34.13 30.44 1jtc s GLU 87 CO 0.15 -0.66 -0.12 1.03 -0.54 0.00 0.00 175.26 175.12 1jtc s ARG 88 N 2.76 1.12 0.26 4.30 1.81 -0.43 -4.74 118.95 124.02 1jtc s ARG 88 Ca 0.27 -1.44 -0.24 0.00 -1.72 0.00 0.00 55.73 52.61 1jtc s ARG 88 Cb -0.14 -0.81 -0.09 0.00 -0.45 0.00 0.00 34.95 33.46 1jtc s ARG 88 CO 0.13 0.12 0.83 -1.17 -0.68 0.00 0.00 175.30 174.54 1jtc s LEU 89 N -3.05 4.39 0.00 2.53 2.96 -0.25 -0.31 118.68 124.95 1jtc s LEU 89 Ca 0.16 1.65 0.00 0.00 -0.22 0.00 0.00 54.13 55.73 1jtc s LEU 89 Cb 0.00 -3.73 -0.00 0.00 0.50 0.00 0.00 46.19 42.95 1jtc s LEU 89 CO 0.03 0.02 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.36 1jtc s GLU 90 N -1.87 0.12 -1.15 1.98 2.56 0.05 -4.82 118.70 115.58 1jtc s GLU 90 Ca 0.45 -0.10 -0.03 0.00 0.00 0.00 0.00 54.97 55.29 1jtc s GLU 90 Cb -0.19 -0.08 0.02 0.00 2.00 0.00 0.00 34.13 35.88 1jtc s GLU 90 CO 0.23 0.02 0.18 0.39 -0.56 0.00 0.00 175.26 175.52 1jtc n GLU 91 N 2.91 -2.74 -0.10 4.30 1.02 -1.26 -0.67 120.64 124.10 1jtc n GLU 91 Ca -0.13 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 1jtc n GLU 91 Cb 0.59 -5.24 0.00 0.00 -0.02 0.00 0.00 31.44 26.77 1jtc n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jtc n ASN 92 N -1.99 0.00 0.00 1.62 4.13 -1.26 -4.57 115.26 113.19 1jtc n ASN 92 Ca -0.11 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.15 1jtc n ASN 92 Cb 0.59 -1.17 0.00 0.00 -1.54 0.00 0.00 39.78 37.66 1jtc n ASN 92 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1jtc n HIS 93 N -2.00 0.00 -3.30 3.10 8.25 -0.60 -5.12 115.22 115.55 1jtc n HIS 93 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 1jtc n HIS 93 Cb 0.00 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.13 1jtc n HIS 93 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1jtc s TYR 94 N -0.19 1.96 0.01 4.41 2.02 0.16 -4.91 117.35 120.81 1jtc s TYR 94 Ca 0.00 -0.64 0.05 0.00 -0.37 0.00 0.00 57.07 56.10 1jtc s TYR 94 Cb 0.00 -2.17 -0.03 0.00 -0.40 0.00 0.00 41.96 39.35 1jtc s TYR 94 CO 0.00 -0.69 -0.12 -0.80 -1.57 0.00 0.00 175.55 172.38 1jtc s ASN 95 N -4.43 4.25 0.18 2.29 -0.87 0.14 -0.77 114.94 115.74 1jtc s ASN 95 Ca 0.52 -0.26 0.10 0.00 -1.57 0.00 0.00 52.86 51.65 1jtc s ASN 95 Cb -0.05 -0.88 -0.04 0.00 -0.02 0.00 0.00 41.25 40.26 1jtc s ASN 95 CO 0.32 0.28 -0.20 0.42 -2.57 0.00 0.00 177.10 175.35 1jtc s THR 96 N -0.94 2.03 -0.24 1.60 -4.23 0.58 -0.87 115.64 113.57 1jtc s THR 96 Ca 0.16 -1.99 -0.01 0.00 -1.18 0.00 0.00 61.69 58.67 1jtc s THR 96 Cb -0.11 -1.96 0.07 0.00 1.34 0.00 0.00 72.50 71.84 1jtc s THR 96 CO 0.06 -0.26 0.02 -0.31 -0.54 0.00 0.00 174.62 173.60 1jtc s TYR 97 N -1.96 1.63 -0.13 3.99 2.02 -1.26 -1.32 117.35 120.33 1jtc s TYR 97 Ca 0.18 -1.36 -0.13 0.00 -0.37 0.00 0.00 57.07 55.40 1jtc s TYR 97 Cb -0.06 -1.38 -0.05 0.00 -0.40 0.00 0.00 41.96 40.07 1jtc s TYR 97 CO 0.08 -0.73 0.28 0.42 -1.57 0.00 0.00 175.55 174.03 1jtc s ILE 98 N 1.65 5.30 0.03 2.71 1.01 -0.40 -1.01 121.20 130.48 1jtc s ILE 98 Ca 0.00 0.52 -0.30 0.00 0.00 0.00 0.00 60.65 60.87 1jtc s ILE 98 Cb -0.18 -3.60 -0.08 0.00 0.01 0.00 0.00 42.46 38.62 1jtc s ILE 98 CO -0.11 0.46 1.83 -0.55 0.00 0.00 0.00 174.94 176.57 1jtc s SER 99 N -0.07 6.52 0.18 3.58 0.15 -0.12 -0.05 113.70 123.89 1jtc s SER 99 Ca 0.17 2.55 -0.12 0.00 0.70 0.00 0.00 55.95 59.25 1jtc s SER 99 Cb -0.13 -2.54 0.09 0.00 -1.71 0.00 0.00 66.02 61.73 1jtc s SER 99 CO 0.05 -1.00 1.76 0.50 1.20 0.00 0.00 173.24 175.75 1jtc h LYS 100 N 9.83 0.91 -0.72 5.44 3.64 -1.45 0.63 116.57 134.85 1jtc h LYS 100 Ca -0.46 -0.14 0.05 0.00 -1.27 0.00 0.00 60.65 58.84 1jtc h LYS 100 Cb 1.22 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.82 1jtc h LYS 100 CO 0.94 0.74 0.43 -0.22 -2.27 0.00 0.00 179.45 179.07 1jtc h LYS 101 N 0.86 0.77 -0.60 1.90 3.64 -1.77 -2.55 116.57 118.81 1jtc h LYS 101 Ca 0.21 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.38 1jtc h LYS 101 Cb 0.14 -0.17 -0.10 0.00 -0.41 0.00 0.00 32.23 31.69 1jtc h LYS 101 CO -0.02 0.51 0.18 0.72 -2.27 0.00 0.00 179.45 178.56 1jtc n HIS 102 N -4.72 2.02 -0.36 1.91 8.25 -1.10 -4.69 115.22 116.52 1jtc n HIS 102 Ca 0.09 -1.18 0.10 0.00 -0.26 0.00 0.00 57.72 56.47 1jtc n HIS 102 Cb 0.16 -0.60 0.29 0.00 1.12 0.00 0.00 29.99 30.96 1jtc n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jtc h ALA 103 N 2.34 1.61 0.00 -1.41 0.00 -0.43 0.05 119.26 121.42 1jtc h ALA 103 Ca 0.21 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1jtc h ALA 103 Cb 2.09 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.74 1jtc h ALA 103 CO 0.60 0.07 -0.04 1.05 0.00 0.00 0.00 179.25 180.93 1jtc h GLU 104 N 0.87 0.00 -0.01 0.00 9.09 -1.84 -1.93 114.58 120.76 1jtc h GLU 104 Ca 0.55 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.96 1jtc h GLU 104 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.82 1jtc h GLU 104 CO -0.33 0.04 -0.09 1.63 0.05 0.00 0.00 179.01 180.31 1jtc n LYS 105 N -3.82 1.47 -3.50 1.06 5.02 -0.01 -4.97 118.16 113.41 1jtc n LYS 105 Ca -0.03 -0.92 -0.20 0.00 -2.02 0.00 0.00 58.31 55.15 1jtc n LYS 105 Cb 0.13 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.72 1jtc n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jtc n ASN 106 N 0.03 -3.44 -4.63 4.39 4.13 -0.73 -4.96 115.26 110.05 1jtc n ASN 106 Ca 0.16 -0.76 -0.38 0.00 1.68 0.00 0.00 54.58 55.28 1jtc n ASN 106 Cb 0.38 -4.58 -0.09 0.00 -1.54 0.00 0.00 39.78 33.94 1jtc n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1jtc s TRP 107 N -3.48 3.29 0.33 3.10 0.52 -1.25 -4.43 118.94 117.03 1jtc s TRP 107 Ca 0.19 0.34 0.10 0.00 0.02 0.00 0.00 56.10 56.75 1jtc s TRP 107 Cb -0.04 -2.43 -0.06 0.00 -1.15 0.00 0.00 33.47 29.79 1jtc s TRP 107 CO 0.78 -0.08 -0.06 -0.06 0.02 0.00 0.00 176.95 177.55 1jtc s PHE 108 N 1.54 2.47 0.07 -1.98 0.40 -1.26 -0.95 117.98 118.27 1jtc s PHE 108 Ca 0.12 -0.44 -0.30 0.00 -0.60 0.00 0.00 56.93 55.72 1jtc s PHE 108 Cb -0.15 -1.37 -0.05 0.00 0.51 0.00 0.00 43.02 41.96 1jtc s PHE 108 CO 0.08 0.56 0.95 0.08 0.70 0.00 0.00 175.22 177.58 1jtc s VAL 109 N -2.54 4.64 -0.02 -0.44 1.01 -0.18 -4.66 120.40 118.21 1jtc s VAL 109 Ca 0.33 2.02 -0.29 0.00 0.00 0.00 0.00 61.98 64.05 1jtc s VAL 109 Cb 0.00 -4.30 0.08 0.00 0.00 0.00 0.00 36.38 32.16 1jtc s VAL 109 CO 0.18 0.27 0.73 -0.83 0.00 0.00 0.00 175.10 175.45 1jtc s GLY 110 N 0.33 -0.53 -0.06 4.51 0.00 -1.26 -4.44 107.32 105.87 1jtc s GLY 110 Ca 0.48 1.22 0.04 0.00 0.00 0.00 0.00 44.72 46.46 1jtc s GLY 110 CO 0.29 0.73 -0.19 1.08 0.00 0.00 0.00 173.10 175.01 1jtc s LEU 111 N -1.64 1.92 0.84 0.66 1.43 -0.52 -1.02 118.68 120.34 1jtc s LEU 111 Ca -0.05 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.52 1jtc s LEU 111 Cb -0.00 -1.09 0.09 0.00 0.03 0.00 0.00 46.19 45.22 1jtc s LEU 111 CO 0.02 0.15 1.12 -0.54 0.23 0.00 0.00 176.35 177.32 1jtc s LYS 112 N 0.18 1.77 0.57 1.70 1.02 0.78 -4.47 119.74 121.28 1jtc s LYS 112 Ca -0.09 0.47 0.26 0.00 0.02 0.00 0.00 55.97 56.63 1jtc s LYS 112 Cb -0.14 -1.90 1.55 0.00 -0.52 0.00 0.00 37.83 36.83 1jtc s LYS 112 CO 0.04 -1.81 2.11 0.87 -0.92 0.00 0.00 175.35 175.64 1jtc h LYS 113 N -1.22 0.00 -0.07 1.68 1.57 -1.88 0.24 116.57 116.89 1jtc h LYS 113 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1jtc h LYS 113 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1jtc h LYS 113 CO 0.61 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.76 1jtc n ASN 114 N -4.05 0.99 0.00 0.86 0.23 -1.26 -4.47 115.26 107.55 1jtc n ASN 114 Ca 0.02 -1.50 0.00 0.00 -0.53 0.00 0.00 54.58 52.56 1jtc n ASN 114 Cb 0.31 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.96 1jtc n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jtc n GLY 115 N 1.03 0.78 3.87 4.83 0.00 0.07 -4.99 105.19 110.79 1jtc n GLY 115 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1jtc n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jtc s SER 116 N -2.73 6.68 0.45 1.61 1.04 -1.26 -0.34 113.70 119.16 1jtc s SER 116 Ca 0.00 1.00 -0.23 0.00 0.48 0.00 0.00 55.95 57.21 1jtc s SER 116 Cb 0.00 -2.26 -0.08 0.00 0.10 0.00 0.00 66.02 63.78 1jtc s SER 116 CO 0.00 -0.06 1.11 0.00 0.98 0.00 0.00 173.24 175.26 1jtc s LYS 118 N -2.72 3.96 0.20 0.00 1.02 -0.19 -4.82 119.74 117.18 1jtc s LYS 118 Ca 0.63 0.53 -0.27 0.00 0.02 0.00 0.00 55.97 56.88 1jtc s LYS 118 Cb -0.25 -2.65 -0.08 0.00 -0.52 0.00 0.00 37.83 34.33 1jtc s LYS 118 CO 0.30 0.30 0.84 0.50 -0.92 0.00 0.00 175.35 176.36 1jtc s ARG 119 N -2.62 4.65 0.10 1.68 3.52 -1.26 -4.70 118.95 120.33 1jtc s ARG 119 Ca 0.47 1.26 -0.20 0.00 -0.13 0.00 0.00 55.73 57.14 1jtc s ARG 119 Cb -0.12 -3.23 -0.05 0.00 -1.56 0.00 0.00 34.95 30.00 1jtc s ARG 119 CO 0.19 0.53 1.15 0.41 -0.81 0.00 0.00 175.30 176.78 1jtc n GLY 120 N 1.47 -2.17 0.20 8.12 0.00 -0.14 -0.30 105.19 112.36 1jtc n GLY 120 Ca -0.04 0.86 0.14 0.00 0.00 0.00 0.00 46.02 46.98 1jtc n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jtc h PRO 121 N 0.00 0.00 -0.00 1.61 0.11 -1.88 0.55 132.00 132.39 1jtc h PRO 121 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1jtc h PRO 121 Cb 0.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.38 1jtc h PRO 121 CO -0.61 0.00 -0.27 0.54 -0.21 0.00 0.00 178.00 177.45 1jtc n ARG 122 N -2.44 0.45 -3.45 1.05 5.12 0.59 -4.88 116.66 113.09 1jtc n ARG 122 Ca -0.01 -0.22 -0.22 0.00 -1.93 0.00 0.00 57.85 55.46 1jtc n ARG 122 Cb 0.06 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 29.86 1jtc n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1jtc s THR 123 N -2.70 4.76 -0.11 0.55 -4.23 0.19 -4.95 115.64 109.14 1jtc s THR 123 Ca 0.20 -0.68 -0.32 0.00 -1.18 0.00 0.00 61.69 59.71 1jtc s THR 123 Cb 0.19 -3.71 0.12 0.00 1.34 0.00 0.00 72.50 70.44 1jtc s THR 123 CO 0.56 -0.40 1.10 -1.38 -0.54 0.00 0.00 174.62 173.96 1jtc s HIS 124 N -2.26 -0.20 0.52 3.99 -3.43 -1.26 -4.83 115.29 107.82 1jtc s HIS 124 Ca 0.41 0.11 -0.22 0.00 -0.80 0.00 0.00 55.06 54.55 1jtc s HIS 124 Cb -0.10 0.53 -0.06 0.00 -1.43 0.00 0.00 32.58 31.52 1jtc s HIS 124 CO 0.34 -0.34 1.25 0.66 -2.00 0.00 0.00 174.74 174.65 1jtc n TYR 125 N -0.18 1.94 0.00 0.38 4.01 -1.26 -2.69 117.16 119.37 1jtc n TYR 125 Ca -0.03 0.46 0.00 0.00 -0.16 0.00 0.00 57.90 58.16 1jtc n TYR 125 Cb 0.60 -2.32 0.00 0.00 -0.31 0.00 0.00 39.34 37.31 1jtc n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jtc n GLY 126 N 0.89 2.52 3.85 2.72 0.00 -1.26 -5.06 105.19 108.85 1jtc n GLY 126 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1jtc n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jtc s GLN 127 N -0.98 3.87 0.17 1.61 -0.21 -1.09 -4.96 119.66 118.06 1jtc s GLN 127 Ca 0.00 0.81 0.12 0.00 0.02 0.00 0.00 55.36 56.31 1jtc s GLN 127 Cb 0.00 -2.19 -0.09 0.00 1.00 0.00 0.00 33.01 31.72 1jtc s GLN 127 CO 0.00 -0.24 1.26 0.87 -2.12 0.00 0.00 175.29 175.06 1jtc h LYS 128 N 0.88 0.00 -0.02 2.91 1.79 -1.97 -3.32 116.57 116.85 1jtc h LYS 128 Ca -0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1jtc h LYS 128 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1jtc h LYS 128 CO 0.62 0.69 0.02 0.00 -1.08 0.00 0.00 179.45 179.70 1jtc h ALA 129 N 1.24 1.63 -0.01 3.86 0.00 -1.93 -2.27 119.26 121.78 1jtc h ALA 129 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jtc h ALA 129 Cb 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1jtc h ALA 129 CO 0.09 -0.02 -0.18 0.44 0.00 0.00 0.00 179.25 179.58 1jtc n ILE 130 N -3.97 0.00 -3.15 0.00 -5.35 -1.25 -1.44 119.36 104.20 1jtc n ILE 130 Ca -0.03 -0.11 -0.40 0.00 -0.27 0.00 0.00 62.75 61.94 1jtc n ILE 130 Cb 0.10 0.21 -0.06 0.00 -1.74 0.00 0.00 39.64 38.15 1jtc n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1jtc s LEU 131 N -2.45 4.09 0.08 7.28 1.43 -0.85 -4.42 118.68 123.85 1jtc s LEU 131 Ca 0.27 0.71 0.10 0.00 -1.03 0.00 0.00 54.13 54.18 1jtc s LEU 131 Cb 0.20 -2.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 1jtc s LEU 131 CO 0.49 -0.31 -0.25 -0.36 0.23 0.00 0.00 176.35 176.14 1jtc s PHE 132 N 2.21 2.20 -0.20 0.29 0.40 -0.05 -3.03 117.98 119.81 1jtc s PHE 132 Ca 0.26 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.20 1jtc s PHE 132 Cb -0.16 -1.26 0.03 0.00 0.51 0.00 0.00 43.02 42.15 1jtc s PHE 132 CO 0.09 0.21 -0.17 -1.17 0.70 0.00 0.00 175.22 174.88 1jtc s LEU 133 N -1.62 2.49 -0.04 -0.37 2.96 -0.19 0.27 118.68 122.17 1jtc s LEU 133 Ca 0.12 -0.83 -0.30 0.00 -0.22 0.00 0.00 54.13 52.90 1jtc s LEU 133 Cb -0.10 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 1jtc s LEU 133 CO 0.04 -0.05 1.20 -2.16 -1.32 0.00 0.00 176.35 174.06 1jtc s PRO 134 N 1.25 4.36 0.15 0.98 0.04 -1.26 -1.30 135.00 139.22 1jtc s PRO 134 Ca 0.02 1.68 0.11 0.00 0.04 0.00 0.00 61.00 62.84 1jtc s PRO 134 Cb -0.15 -3.54 -0.04 0.00 0.04 0.00 0.00 34.50 30.81 1jtc s PRO 134 CO -0.11 -0.43 -0.24 -0.51 0.04 0.00 0.00 177.00 175.76 1jtc s LEU 135 N 2.11 2.45 0.40 -3.56 1.43 0.31 -4.91 118.68 116.91 1jtc s LEU 135 Ca 0.56 -0.74 -0.26 0.00 -1.03 0.00 0.00 54.13 52.66 1jtc s LEU 135 Cb -0.25 -1.29 -0.09 0.00 0.03 0.00 0.00 46.19 44.59 1jtc s LEU 135 CO 0.23 0.16 1.30 -2.16 0.23 0.00 0.00 176.35 176.11 1jtc s PRO 136 N -2.26 4.00 0.00 1.29 0.04 -1.26 0.03 135.00 136.84 1jtc s PRO 136 Ca 0.17 2.16 0.24 0.00 0.04 0.00 0.00 61.00 63.60 1jtc s PRO 136 Cb -0.10 -2.78 1.42 0.00 0.04 0.00 0.00 34.50 33.09 1jtc s PRO 136 CO 0.08 -0.47 1.79 0.28 0.04 0.00 0.00 177.00 178.72