#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3s s ASP 2 N 0.00 4.32 -0.16 1.61 1.01 -1.26 -5.05 116.67 117.14 1j3s s ASP 2 Ca 0.00 -0.85 0.04 0.00 0.71 0.00 0.00 52.55 52.44 1j3s s ASP 2 Cb 0.00 -0.64 -0.23 0.00 1.01 0.00 0.00 42.92 43.06 1j3s s ASP 2 CO 0.00 -0.15 0.21 0.55 0.21 0.00 0.00 175.17 175.99 1j3s n VAL 3 N -0.94 1.60 0.77 -1.27 3.14 -1.26 -3.74 118.33 116.63 1j3s n VAL 3 Ca -0.05 -0.69 0.09 0.00 -2.96 0.00 0.00 64.34 60.73 1j3s n VAL 3 Cb 0.61 -1.30 0.43 0.00 -1.06 0.00 0.00 33.84 32.51 1j3s n VAL 3 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1j3s n GLU 4 N -3.22 0.16 -0.10 1.45 -0.58 -1.26 -1.97 120.64 115.12 1j3s n GLU 4 Ca -0.33 0.14 -0.15 0.00 -0.42 0.00 0.00 57.16 56.41 1j3s n GLU 4 Cb 1.05 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 30.36 1j3s n GLU 4 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1j3s n LYS 5 N -1.37 0.52 -0.01 3.49 4.81 -1.26 -3.50 118.16 120.84 1j3s n LYS 5 Ca 0.07 0.45 -0.12 0.00 -0.87 0.00 0.00 58.31 57.84 1j3s n LYS 5 Cb 0.17 -1.64 -0.08 0.00 0.02 0.00 0.00 35.03 33.50 1j3s n LYS 5 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1j3s h GLY 6 N -1.00 0.08 2.00 3.14 0.00 -1.64 -1.75 103.07 103.90 1j3s h GLY 6 Ca -0.22 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1j3s h GLY 6 CO -0.13 0.05 0.00 1.17 0.00 0.00 0.00 176.54 177.63 1j3s n LYS 7 N -4.90 0.12 -0.08 4.80 4.81 -0.83 -2.00 118.16 120.08 1j3s n LYS 7 Ca -0.07 0.55 -0.12 0.00 -0.87 0.00 0.00 58.31 57.80 1j3s n LYS 7 Cb 0.17 -1.83 -0.07 0.00 0.02 0.00 0.00 35.03 33.31 1j3s n LYS 7 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1j3s h LYS 8 N 0.00 0.00 0.19 1.64 1.79 -1.39 -2.59 116.57 116.20 1j3s h LYS 8 Ca 0.00 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1j3s h LYS 8 Cb 0.08 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 1j3s h LYS 8 CO 0.00 0.59 -0.21 0.82 -1.08 0.00 0.00 179.45 179.57 1j3s h ILE 9 N -1.00 0.54 -0.76 1.86 2.04 -1.05 -1.49 117.51 117.65 1j3s h ILE 9 Ca -0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1j3s h ILE 9 Cb 0.80 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1j3s h ILE 9 CO -0.07 0.00 0.49 0.15 0.00 0.00 0.00 178.15 178.73 1j3s h PHE 10 N -0.44 0.97 -0.07 1.37 3.04 -1.59 0.98 116.94 121.21 1j3s h PHE 10 Ca 0.01 0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.99 1j3s h PHE 10 Cb 0.42 -0.33 -0.00 0.00 2.56 0.00 0.00 35.95 38.60 1j3s h PHE 10 CO -0.16 0.63 0.10 0.82 -2.02 0.00 0.00 178.31 177.67 1j3s h ILE 11 N 1.04 0.41 0.00 1.41 2.04 -1.02 0.38 117.51 121.77 1j3s h ILE 11 Ca 0.28 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.14 1j3s h ILE 11 Cb -0.10 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1j3s h ILE 11 CO -0.06 0.00 -0.07 1.15 0.00 0.00 0.00 178.15 179.17 1j3s n MET 12 N -3.68 1.32 0.00 2.37 0.00 -0.21 -4.36 117.12 112.56 1j3s n MET 12 Ca -0.01 -2.14 0.00 0.00 0.00 0.00 0.00 57.70 55.55 1j3s n MET 12 Cb 0.19 -1.26 0.00 0.00 0.00 0.00 0.00 33.22 32.15 1j3s n MET 12 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1j3s n LYS 13 N -1.06 0.00 -0.42 3.17 3.00 0.32 -4.89 118.16 118.29 1j3s n LYS 13 Ca 0.11 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.45 1j3s n LYS 13 Cb 0.59 -0.43 0.05 0.00 0.00 0.00 0.00 35.03 35.23 1j3s n LYS 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1j3s n SER 15 N -0.43 1.02 -0.13 0.00 2.88 0.04 -1.12 113.62 115.88 1j3s n SER 15 Ca 0.05 -1.88 -0.22 0.00 -1.33 0.00 0.00 58.87 55.49 1j3s n SER 15 Cb 0.70 -0.11 -0.11 0.00 -0.75 0.00 0.00 64.21 63.94 1j3s n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j3s n GLN 16 N 0.01 0.62 -0.02 -1.46 6.02 -1.26 -4.40 117.38 116.88 1j3s n GLN 16 Ca 0.09 0.19 -0.05 0.00 -0.01 0.00 0.00 57.00 57.22 1j3s n GLN 16 Cb 0.18 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.81 1j3s n GLN 16 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1j3s s HIS 18 N -2.74 3.64 -1.17 0.00 3.76 -0.28 0.66 115.29 119.17 1j3s s HIS 18 Ca -0.06 -2.97 -0.21 0.00 -0.15 0.00 0.00 55.06 51.68 1j3s s HIS 18 Cb 0.08 -3.14 0.04 0.00 1.11 0.00 0.00 32.58 30.68 1j3s s HIS 18 CO 0.83 -0.75 1.67 0.95 -0.85 0.00 0.00 174.74 176.59 1j3s s THR 19 N -0.87 3.96 -0.10 1.30 -4.23 -1.26 -4.32 115.64 110.12 1j3s s THR 19 Ca 0.23 -1.34 0.01 0.00 -1.18 0.00 0.00 61.69 59.40 1j3s s THR 19 Cb -0.12 -5.03 0.12 0.00 1.34 0.00 0.00 72.50 68.81 1j3s s THR 19 CO -0.09 -1.85 1.33 1.33 -0.54 0.00 0.00 174.62 174.80 1j3s n VAL 20 N 6.78 1.59 -1.98 2.29 0.24 -1.26 -3.57 118.33 122.42 1j3s n VAL 20 Ca 0.43 -0.49 -0.02 0.00 -2.04 0.00 0.00 64.34 62.22 1j3s n VAL 20 Cb 0.48 -0.99 -0.02 0.00 -1.47 0.00 0.00 33.84 31.84 1j3s n VAL 20 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1j3s n GLU 21 N 0.33 0.00 -0.23 7.34 -0.58 -1.26 -4.84 120.64 121.40 1j3s n GLU 21 Ca 0.12 -0.23 0.12 0.00 -0.42 0.00 0.00 57.16 56.75 1j3s n GLU 21 Cb 0.70 0.12 0.24 0.00 -0.57 0.00 0.00 31.44 31.92 1j3s n GLU 21 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1j3s n LYS 22 N 0.00 2.56 0.00 3.49 4.81 -1.23 -4.90 118.16 122.88 1j3s n LYS 22 Ca -0.06 -2.37 0.00 0.00 -0.87 0.00 0.00 58.31 55.00 1j3s n LYS 22 Cb 0.53 -1.53 0.00 0.00 0.02 0.00 0.00 35.03 34.05 1j3s n LYS 22 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1j3s n GLY 23 N 1.55 2.21 0.00 3.14 0.00 -1.26 -4.49 105.19 106.33 1j3s n GLY 23 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1j3s n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j3s n GLY 24 N -0.38 0.99 3.77 -0.02 0.00 -1.26 -5.11 105.19 103.17 1j3s n GLY 24 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1j3s n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j3s s LYS 25 N 0.00 4.61 0.37 1.61 2.47 -1.26 -4.81 119.74 122.73 1j3s s LYS 25 Ca 0.00 1.54 0.04 0.00 -1.56 0.00 0.00 55.97 55.99 1j3s s LYS 25 Cb 0.00 -3.01 -0.05 0.00 -1.46 0.00 0.00 37.83 33.31 1j3s s LYS 25 CO 0.00 0.26 0.07 -3.38 0.16 0.00 0.00 175.35 172.46 1j3s s HIS 26 N -1.36 1.96 0.00 4.03 -3.43 -1.26 -4.79 115.29 110.43 1j3s s HIS 26 Ca 0.47 -1.02 0.00 0.00 -0.80 0.00 0.00 55.06 53.71 1j3s s HIS 26 Cb -0.25 -1.32 0.00 0.00 -1.43 0.00 0.00 32.58 29.58 1j3s s HIS 26 CO 0.32 -0.01 0.00 1.17 -2.00 0.00 0.00 174.74 174.21 1j3s n LYS 27 N -0.82 0.00 -0.07 -0.38 4.81 -1.26 -5.00 118.16 115.44 1j3s n LYS 27 Ca -0.05 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.29 1j3s n LYS 27 Cb 0.66 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.65 1j3s n LYS 27 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1j3s h THR 28 N 0.00 0.61 -3.00 3.15 2.02 -1.89 -3.47 112.91 110.34 1j3s h THR 28 Ca 0.00 -1.58 -0.55 0.00 0.77 0.00 0.00 66.41 65.06 1j3s h THR 28 Cb 0.00 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1j3s h THR 28 CO 0.00 0.21 -0.30 -0.83 0.37 0.00 0.00 175.52 174.97 1j3s s GLY 29 N -4.21 1.93 0.08 2.16 0.00 0.21 -5.00 107.32 102.49 1j3s s GLY 29 Ca -0.15 -0.71 -0.31 0.00 0.00 0.00 0.00 44.72 43.55 1j3s s GLY 29 CO 0.35 -0.64 1.42 2.56 0.00 0.00 0.00 173.10 176.79 1j3s s PRO 30 N -3.17 4.30 -0.88 2.90 0.04 -1.26 -4.63 135.00 132.30 1j3s s PRO 30 Ca 0.40 2.07 -0.30 0.00 0.04 0.00 0.00 61.00 63.21 1j3s s PRO 30 Cb -0.11 -3.37 -0.19 0.00 0.04 0.00 0.00 34.50 30.87 1j3s s PRO 30 CO 0.28 -0.50 2.63 -1.71 0.04 0.00 0.00 177.00 177.74 1j3s n ASN 31 N 4.48 0.73 -1.65 6.66 4.05 -1.26 -4.72 115.26 123.55 1j3s n ASN 31 Ca 0.12 0.04 -0.05 0.00 0.45 0.00 0.00 54.58 55.14 1j3s n ASN 31 Cb 0.42 -1.06 -0.01 0.00 1.23 0.00 0.00 39.78 40.36 1j3s n ASN 31 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1j3s n LEU 32 N 11.59 5.60 0.09 1.20 4.32 -1.26 -4.11 117.00 134.43 1j3s n LEU 32 Ca 0.60 -2.71 0.12 0.00 -0.02 0.00 0.00 56.01 53.99 1j3s n LEU 32 Cb 0.14 -1.15 0.15 0.00 -1.62 0.00 0.00 43.42 40.94 1j3s n LEU 32 CO 0.89 1.14 0.37 -0.74 -1.22 0.00 0.00 177.39 177.83 1j3s h HIS 33 N 1.34 0.00 -0.14 -1.77 2.76 -1.88 -3.38 115.15 112.08 1j3s h HIS 33 Ca 0.09 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.07 1j3s h HIS 33 Cb 1.02 0.00 -0.25 0.00 1.55 0.00 0.00 27.41 29.74 1j3s h HIS 33 CO 0.53 0.00 -0.61 0.41 -1.30 0.00 0.00 177.93 176.96 1j3s n GLY 34 N 1.27 1.69 0.23 5.26 0.00 -1.26 -4.66 105.19 107.72 1j3s n GLY 34 Ca 0.03 -0.49 -0.03 0.00 0.00 0.00 0.00 46.02 45.53 1j3s n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1j3s h LEU 35 N 1.39 0.42 -9.62 0.99 5.85 -1.80 -3.40 115.31 109.14 1j3s h LEU 35 Ca -0.35 -0.14 -0.52 0.00 0.84 0.00 0.00 57.88 57.70 1j3s h LEU 35 Cb 1.35 -0.11 0.04 0.00 0.37 0.00 0.00 40.66 42.31 1j3s h LEU 35 CO -0.06 0.69 0.88 -0.36 -0.34 0.00 0.00 178.44 179.25 1j3s s PHE 36 N -4.43 3.05 -0.41 1.25 0.40 -1.26 -1.88 117.98 114.69 1j3s s PHE 36 Ca -0.06 0.63 0.00 0.00 -0.60 0.00 0.00 56.93 56.89 1j3s s PHE 36 Cb 0.14 -3.94 0.00 0.00 0.51 0.00 0.00 43.02 39.73 1j3s s PHE 36 CO 0.78 -3.45 0.00 0.41 0.70 0.00 0.00 175.22 173.67 1j3s n GLY 37 N 3.69 0.65 3.07 4.36 0.00 -1.22 -5.01 105.19 110.73 1j3s n GLY 37 Ca 0.14 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 1j3s n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1j3s s ARG 38 N -2.49 0.19 0.80 1.61 3.52 -0.79 -5.06 118.95 116.73 1j3s s ARG 38 Ca 0.00 0.79 -0.10 0.00 -0.13 0.00 0.00 55.73 56.29 1j3s s ARG 38 Cb 0.00 0.03 0.07 0.00 -1.56 0.00 0.00 34.95 33.49 1j3s s ARG 38 CO 0.00 -0.27 1.10 -1.59 -0.81 0.00 0.00 175.30 173.74 1j3s s LYS 39 N 2.33 2.02 0.67 5.12 -2.85 -1.26 -4.26 119.74 121.50 1j3s s LYS 39 Ca -0.01 1.24 -0.11 0.00 -1.00 0.00 0.00 55.97 56.09 1j3s s LYS 39 Cb -0.12 -1.86 0.17 0.00 -2.06 0.00 0.00 37.83 33.96 1j3s s LYS 39 CO -0.09 -1.83 0.48 -2.37 0.10 0.00 0.00 175.35 171.64 1j3s n THR 40 N -3.66 0.00 -2.95 3.79 5.66 -1.26 -4.59 114.28 111.26 1j3s n THR 40 Ca 0.10 -0.12 -0.12 0.00 -3.05 0.00 0.00 64.05 60.85 1j3s n THR 40 Cb 0.53 -0.81 0.01 0.00 -1.55 0.00 0.00 70.33 68.52 1j3s n THR 40 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j3s n GLY 41 N -1.96 -1.12 2.13 1.09 0.00 -1.26 -4.76 105.19 99.32 1j3s n GLY 41 Ca 0.07 1.22 0.00 0.00 0.00 0.00 0.00 46.02 47.32 1j3s n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1j3s n GLN 42 N -0.35 0.00 -1.50 1.61 -0.06 -1.26 -4.99 117.38 110.83 1j3s n GLN 42 Ca 0.09 0.00 -0.51 0.00 -2.00 0.00 0.00 57.00 54.57 1j3s n GLN 42 Cb 0.49 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.63 1j3s n GLN 42 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j3s n ALA 43 N -3.15 -2.30 -2.29 1.69 0.00 -1.26 -4.87 120.51 108.34 1j3s n ALA 43 Ca 0.00 0.49 -0.41 0.00 0.00 0.00 0.00 53.44 53.52 1j3s n ALA 43 Cb 0.00 -1.81 -0.04 0.00 0.00 0.00 0.00 19.45 17.60 1j3s n ALA 43 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j3s s PRO 44 N -0.55 4.64 0.00 0.00 0.04 -1.26 -3.15 135.00 134.73 1j3s s PRO 44 Ca 0.74 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1j3s s PRO 44 Cb -0.99 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1j3s s PRO 44 CO 0.55 0.12 0.00 0.41 0.04 0.00 0.00 177.00 178.12 1j3s n GLY 45 N 2.35 2.33 2.44 0.56 0.00 -1.26 -4.90 105.19 106.71 1j3s n GLY 45 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1j3s n GLY 45 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1j3s n TYR 46 N -2.00 0.58 -1.99 1.61 9.36 -1.19 -5.04 117.16 118.49 1j3s n TYR 46 Ca 0.00 -3.67 -0.28 0.00 3.32 0.00 0.00 57.90 57.27 1j3s n TYR 46 Cb 0.00 -0.17 -0.05 0.00 -0.63 0.00 0.00 39.34 38.50 1j3s n TYR 46 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1j3s s SER 47 N -0.87 5.02 0.89 2.98 0.01 -1.26 -4.46 113.70 116.01 1j3s s SER 47 Ca 0.33 -0.36 -0.13 0.00 1.31 0.00 0.00 55.95 57.10 1j3s s SER 47 Cb 0.07 -2.55 0.07 0.00 0.21 0.00 0.00 66.02 63.82 1j3s s SER 47 CO -0.15 -2.79 -0.05 -1.22 0.41 0.00 0.00 173.24 169.44 1j3s n TYR 48 N 14.26 -1.84 -1.56 2.43 4.01 -1.26 -4.45 117.16 128.73 1j3s n TYR 48 Ca 0.37 0.27 -0.13 0.00 -0.16 0.00 0.00 57.90 58.25 1j3s n TYR 48 Cb 0.48 -1.40 -0.08 0.00 -0.31 0.00 0.00 39.34 38.02 1j3s n TYR 48 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1j3s n THR 49 N -3.92 0.00 -0.51 -0.72 -1.04 -1.26 -4.69 114.28 102.13 1j3s n THR 49 Ca 0.03 -0.37 0.40 0.00 -2.04 0.00 0.00 64.05 62.06 1j3s n THR 49 Cb 0.34 -1.97 0.62 0.00 -1.82 0.00 0.00 70.33 67.51 1j3s n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j3s n ALA 50 N 18.93 1.39 -0.26 2.41 0.00 -1.26 -1.37 120.51 140.36 1j3s n ALA 50 Ca 0.46 0.57 -0.06 0.00 0.00 0.00 0.00 53.44 54.40 1j3s n ALA 50 Cb 0.44 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.94 1j3s n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j3s n ALA 51 N -2.68 -0.38 0.21 0.00 0.00 -1.26 0.67 120.51 117.08 1j3s n ALA 51 Ca 0.34 0.53 -0.15 0.00 0.00 0.00 0.00 53.44 54.16 1j3s n ALA 51 Cb 1.50 -0.10 -0.08 0.00 0.00 0.00 0.00 19.45 20.78 1j3s n ALA 51 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1j3s h ASN 52 N 0.00 -0.43 -1.43 0.00 -1.24 -1.57 -1.06 115.58 109.85 1j3s h ASN 52 Ca 0.10 -0.05 0.42 0.00 0.71 0.00 0.00 56.30 57.48 1j3s h ASN 52 Cb 0.26 0.11 -0.06 0.00 0.73 0.00 0.00 38.32 39.36 1j3s h ASN 52 CO -0.58 -0.22 1.22 0.50 -1.29 0.00 0.00 177.43 177.06 1j3s h LYS 53 N -0.62 0.00 0.02 6.67 3.64 0.11 0.69 116.57 127.08 1j3s h LYS 53 Ca -0.05 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.98 1j3s h LYS 53 Cb 0.45 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.22 1j3s h LYS 53 CO 0.09 0.00 -2.11 0.27 -2.27 0.00 0.00 179.45 175.43 1j3s n ASN 54 N -3.69 1.02 0.34 4.20 0.23 -0.01 -3.99 115.26 113.36 1j3s n ASN 54 Ca 0.32 0.15 0.15 0.00 -0.53 0.00 0.00 54.58 54.67 1j3s n ASN 54 Cb 1.66 0.06 0.81 0.00 -2.08 0.00 0.00 39.78 40.22 1j3s n ASN 54 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1j3s h LYS 55 N 0.01 0.00 -3.71 -3.83 1.63 0.17 -3.45 116.57 107.39 1j3s h LYS 55 Ca -0.44 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 1j3s h LYS 55 Cb 2.07 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.70 1j3s h LYS 55 CO 0.04 0.00 -0.08 0.41 -3.45 0.00 0.00 179.45 176.37 1j3s n GLY 56 N -1.23 -0.74 3.21 5.01 0.00 -1.08 -5.08 105.19 105.29 1j3s n GLY 56 Ca -0.02 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 1j3s n GLY 56 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1j3s s ILE 57 N -2.24 -0.17 -0.60 -0.61 -1.16 -1.26 -5.10 121.20 110.05 1j3s s ILE 57 Ca 0.04 0.13 -0.22 0.00 -0.51 0.00 0.00 60.65 60.10 1j3s s ILE 57 Cb -0.01 -0.57 0.07 0.00 0.61 0.00 0.00 42.46 42.56 1j3s s ILE 57 CO 0.23 0.05 0.86 -0.51 -2.81 0.00 0.00 174.94 172.76 1j3s s ILE 58 N 1.68 4.51 -0.59 2.00 1.10 -1.26 -4.56 121.20 124.08 1j3s s ILE 58 Ca -0.07 -0.40 -0.39 0.00 -0.51 0.00 0.00 60.65 59.28 1j3s s ILE 58 Cb -0.10 -4.56 -0.18 0.00 0.15 0.00 0.00 42.46 37.77 1j3s s ILE 58 CO -0.12 -1.24 2.29 0.79 -2.11 0.00 0.00 174.94 174.56 1j3s n TRP 59 N 7.16 1.10 -2.48 3.50 5.03 -1.26 -4.72 117.44 125.76 1j3s n TRP 59 Ca -0.04 0.58 0.00 0.00 3.03 0.00 0.00 57.50 61.06 1j3s n TRP 59 Cb 0.45 -2.36 0.00 0.00 -1.03 0.00 0.00 31.31 28.37 1j3s n TRP 59 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1j3s n GLY 60 N 7.06 5.80 0.00 6.99 0.00 -1.26 -3.39 105.19 120.38 1j3s n GLY 60 Ca 0.55 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1j3s n GLY 60 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1j3s n GLU 61 N 0.00 0.00 -0.18 1.61 2.13 -1.26 -2.39 120.64 120.56 1j3s n GLU 61 Ca 0.00 0.20 -0.02 0.00 0.66 0.00 0.00 57.16 58.00 1j3s n GLU 61 Cb 0.00 -0.79 0.20 0.00 0.27 0.00 0.00 31.44 31.12 1j3s n GLU 61 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1j3s h ASP 62 N 0.00 0.84 0.50 4.31 3.58 -1.99 -1.14 116.42 122.53 1j3s h ASP 62 Ca 0.00 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.33 1j3s h ASP 62 Cb 0.00 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.84 1j3s h ASP 62 CO 0.00 0.73 -0.24 0.71 -2.88 0.00 0.00 179.24 177.56 1j3s h THR 63 N 0.92 0.50 0.00 2.25 1.35 -1.89 -1.67 112.91 114.36 1j3s h THR 63 Ca 0.22 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 66.00 1j3s h THR 63 Cb 0.13 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.09 1j3s h THR 63 CO -0.02 0.01 0.00 0.25 -0.25 0.00 0.00 175.52 175.51 1j3s h LEU 64 N -0.73 0.00 -0.26 3.87 6.46 -1.32 -2.41 115.31 120.92 1j3s h LEU 64 Ca -0.07 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.66 1j3s h LEU 64 Cb 0.54 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.46 1j3s h LEU 64 CO 0.11 0.00 0.06 -0.03 -0.62 0.00 0.00 178.44 177.96 1j3s h MET 65 N 0.00 0.42 -0.00 1.25 4.05 -0.24 -1.60 114.93 118.80 1j3s h MET 65 Ca 0.00 -0.10 -0.00 0.00 -0.28 0.00 0.00 59.70 59.32 1j3s h MET 65 Cb 0.17 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.92 1j3s h MET 65 CO 0.00 0.52 0.00 1.49 0.23 0.00 0.00 176.91 179.15 1j3s h GLU 66 N 0.24 0.01 -0.94 0.39 4.57 -1.17 -1.23 114.58 116.45 1j3s h GLU 66 Ca 0.08 -0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.40 1j3s h GLU 66 Cb 0.30 -0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.80 1j3s h GLU 66 CO 0.00 0.30 0.55 -0.92 -1.18 0.00 0.00 179.01 177.77 1j3s h TYR 67 N -0.29 0.99 -0.14 0.92 3.20 -1.50 0.58 116.97 120.73 1j3s h TYR 67 Ca 0.00 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.78 1j3s h TYR 67 Cb 0.30 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1j3s h TYR 67 CO 0.03 0.32 -0.46 1.25 -1.64 0.00 0.00 178.16 177.65 1j3s h LEU 68 N 0.82 0.39 -2.56 2.82 5.85 -1.10 0.85 115.31 122.38 1j3s h LEU 68 Ca 0.49 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1j3s h LEU 68 Cb 0.60 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1j3s h LEU 68 CO -0.31 0.80 0.02 -0.08 -0.34 0.00 0.00 178.44 178.52 1j3s h GLU 69 N 0.29 0.00 -0.45 1.25 4.81 0.35 -3.39 114.58 117.44 1j3s h GLU 69 Ca 0.02 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.39 1j3s h GLU 69 Cb 0.93 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.12 1j3s h GLU 69 CO 0.08 0.00 -0.14 1.21 -0.73 0.00 0.00 179.01 179.43 1j3s s ASN 70 N -5.90 -0.73 0.12 1.04 3.84 -0.74 -4.20 114.94 108.37 1j3s s ASN 70 Ca -0.05 -0.03 -0.08 0.00 0.21 0.00 0.00 52.86 52.91 1j3s s ASN 70 Cb 0.15 1.31 -0.10 0.00 -0.55 0.00 0.00 41.25 42.05 1j3s s ASN 70 CO 0.52 -0.12 1.31 1.55 -2.79 0.00 0.00 177.10 177.57 1j3s h PRO 71 N 7.03 0.57 0.00 0.43 0.13 -1.05 -2.45 132.00 136.66 1j3s h PRO 71 Ca -0.05 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1j3s h PRO 71 Cb 1.19 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1j3s h PRO 71 CO -0.03 1.16 0.00 1.17 -0.23 0.00 0.00 178.00 180.07 1j3s n LYS 72 N -3.84 0.06 -0.09 0.86 4.81 -1.26 -1.90 118.16 116.81 1j3s n LYS 72 Ca -0.07 0.16 -0.11 0.00 -0.87 0.00 0.00 58.31 57.42 1j3s n LYS 72 Cb 0.80 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 34.30 1j3s n LYS 72 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1j3s n LYS 73 N -1.45 0.50 0.32 1.64 3.00 -1.11 -4.58 118.16 116.48 1j3s n LYS 73 Ca 0.05 0.41 -0.13 0.00 -0.00 0.00 0.00 58.31 58.65 1j3s n LYS 73 Cb 0.20 -1.60 -0.06 0.00 0.00 0.00 0.00 35.03 33.57 1j3s n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1j3s h TYR 74 N -1.00 -0.77 -3.27 5.64 5.03 -1.50 -3.39 116.97 117.70 1j3s h TYR 74 Ca -0.12 -0.02 -0.58 0.00 2.58 0.00 0.00 58.73 60.60 1j3s h TYR 74 Cb 0.88 0.26 -0.07 0.00 1.55 0.00 0.00 36.73 39.35 1j3s h TYR 74 CO -0.23 -0.48 0.81 0.42 -1.32 0.00 0.00 178.16 177.35 1j3s s ILE 75 N -4.59 4.56 -1.20 1.81 -1.09 -0.80 -4.91 121.20 114.99 1j3s s ILE 75 Ca -0.12 1.76 -0.19 0.00 -2.23 0.00 0.00 60.65 59.87 1j3s s ILE 75 Cb 0.01 -4.38 -0.03 0.00 -1.58 0.00 0.00 42.46 36.49 1j3s s ILE 75 CO 0.37 -0.40 1.96 -0.81 -1.23 0.00 0.00 174.94 174.82 1j3s n PRO 76 N 6.71 2.37 0.00 2.79 -0.04 -1.26 -3.10 135.00 142.47 1j3s n PRO 76 Ca 0.11 -2.58 0.00 0.00 -0.04 0.00 0.00 63.50 60.99 1j3s n PRO 76 Cb 0.47 -3.35 0.00 0.00 -0.04 0.00 0.00 33.50 30.58 1j3s n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j3s n GLY 77 N 4.91 1.76 3.33 0.55 0.00 -1.26 -4.82 105.19 109.66 1j3s n GLY 77 Ca 0.49 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.18 1j3s n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1j3s n THR 78 N 0.00 0.00 0.80 2.61 5.66 -1.18 -4.88 114.28 117.29 1j3s n THR 78 Ca 0.00 -0.25 0.11 0.00 -3.05 0.00 0.00 64.05 60.86 1j3s n THR 78 Cb 0.00 -0.50 0.11 0.00 -1.55 0.00 0.00 70.33 68.40 1j3s n THR 78 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1j3s n LYS 79 N -0.89 2.13 -4.12 1.09 5.02 -1.26 -4.87 118.16 115.26 1j3s n LYS 79 Ca 0.05 -1.89 -0.34 0.00 -2.02 0.00 0.00 58.31 54.10 1j3s n LYS 79 Cb 0.55 -1.43 -0.14 0.00 -0.02 0.00 0.00 35.03 33.98 1j3s n LYS 79 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j3s s MET 80 N -1.76 3.33 -1.16 1.97 0.23 -1.26 -5.00 119.30 115.64 1j3s s MET 80 Ca 0.28 -0.66 -0.05 0.00 -1.03 0.00 0.00 55.69 54.23 1j3s s MET 80 Cb 0.19 -2.87 0.13 0.00 -1.53 0.00 0.00 34.83 30.75 1j3s s MET 80 CO 0.28 -0.11 2.41 1.51 -2.03 0.00 0.00 175.02 177.08 1j3s n ILE 81 N 4.48 5.00 -2.12 3.16 3.06 -1.26 -4.69 119.36 126.98 1j3s n ILE 81 Ca -0.19 -4.23 -0.33 0.00 -2.50 0.00 0.00 62.75 55.51 1j3s n ILE 81 Cb 0.51 -1.96 0.00 0.00 0.54 0.00 0.00 39.64 38.74 1j3s n ILE 81 CO 0.00 0.00 0.00 0.12 -2.50 0.00 0.00 176.55 174.17 1j3s s PHE 82 N -1.49 3.10 0.08 9.51 5.36 -1.26 -5.05 117.98 128.23 1j3s s PHE 82 Ca 0.54 1.50 -0.01 0.00 -0.96 0.00 0.00 56.93 58.00 1j3s s PHE 82 Cb 0.22 -2.96 -0.04 0.00 -0.34 0.00 0.00 43.02 39.90 1j3s s PHE 82 CO -0.12 -0.94 0.24 0.54 -1.46 0.00 0.00 175.22 173.48 1j3s s VAL 83 N -2.50 5.35 -0.22 3.12 0.11 -1.26 -4.75 120.40 120.24 1j3s s VAL 83 Ca 0.62 -0.30 -0.29 0.00 -2.93 0.00 0.00 61.98 59.08 1j3s s VAL 83 Cb -0.15 -3.63 0.01 0.00 -1.53 0.00 0.00 36.38 31.08 1j3s s VAL 83 CO 0.36 0.12 1.06 -0.83 -3.33 0.00 0.00 175.10 172.48 1j3s s GLY 84 N -2.49 1.70 0.09 6.54 0.00 -1.26 -4.93 107.32 106.98 1j3s s GLY 84 Ca 0.36 0.21 -0.30 0.00 0.00 0.00 0.00 44.72 44.99 1j3s s GLY 84 CO 0.27 2.22 1.17 -0.42 0.00 0.00 0.00 173.10 176.34 1j3s s ILE 85 N 3.22 3.99 -0.04 0.90 1.01 -1.26 -4.94 121.20 124.07 1j3s s ILE 85 Ca 0.45 1.50 -0.25 0.00 0.00 0.00 0.00 60.65 62.35 1j3s s ILE 85 Cb -0.16 -3.96 -0.22 0.00 0.01 0.00 0.00 42.46 38.13 1j3s s ILE 85 CO 0.07 0.16 1.08 0.50 0.00 0.00 0.00 174.94 176.74 1j3s h LYS 86 N 6.33 0.15 -5.78 2.79 1.63 -2.00 -3.40 116.57 116.29 1j3s h LYS 86 Ca -0.42 -0.13 -0.38 0.00 -0.85 0.00 0.00 60.65 58.86 1j3s h LYS 86 Cb 1.21 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.85 1j3s h LYS 86 CO 0.79 0.83 1.09 0.15 -3.45 0.00 0.00 179.45 178.86 1j3s s LYS 87 N -3.36 2.40 0.44 1.90 1.02 -1.26 -4.78 119.74 116.10 1j3s s LYS 87 Ca -0.16 0.48 0.12 0.00 0.02 0.00 0.00 55.97 56.43 1j3s s LYS 87 Cb 0.01 -4.65 1.01 0.00 -0.52 0.00 0.00 37.83 33.68 1j3s s LYS 87 CO 0.73 -3.19 2.04 0.87 -0.92 0.00 0.00 175.35 174.87 1j3s h LYS 88 N 14.49 0.38 -0.41 1.68 6.56 -2.00 -2.33 116.57 134.93 1j3s h LYS 88 Ca -0.13 -0.02 0.08 0.00 -1.06 0.00 0.00 60.65 59.52 1j3s h LYS 88 Cb 1.12 -0.09 -0.09 0.00 -0.57 0.00 0.00 32.23 32.60 1j3s h LYS 88 CO 1.18 0.25 -0.28 1.49 -2.06 0.00 0.00 179.45 180.03 1j3s h GLU 89 N 0.39 -0.20 -0.47 3.15 4.81 -1.97 0.23 114.58 120.52 1j3s h GLU 89 Ca 0.18 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1j3s h GLU 89 Cb 0.24 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1j3s h GLU 89 CO -0.04 -0.13 0.30 1.49 -0.73 0.00 0.00 179.01 179.89 1j3s h GLU 90 N -0.21 0.62 -1.00 1.92 4.57 -1.82 -1.42 114.58 117.24 1j3s h GLU 90 Ca 0.19 -0.04 0.24 0.00 -1.18 0.00 0.00 59.36 58.57 1j3s h GLU 90 Cb 0.51 -0.14 -0.09 0.00 -0.16 0.00 0.00 28.75 28.88 1j3s h GLU 90 CO -0.53 0.43 0.65 -0.09 -1.18 0.00 0.00 179.01 178.29 1j3s h ARG 91 N 0.63 0.41 -0.41 1.92 2.43 -0.87 0.26 114.38 118.75 1j3s h ARG 91 Ca 0.17 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1j3s h ARG 91 Cb -0.05 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1j3s h ARG 91 CO -0.04 0.27 0.05 0.00 -1.51 0.00 0.00 179.97 178.75 1j3s h ALA 92 N 1.61 0.54 -0.93 2.80 0.00 -0.04 -2.33 119.26 120.92 1j3s h ALA 92 Ca 0.56 -0.23 0.21 0.00 0.00 0.00 0.00 54.91 55.45 1j3s h ALA 92 Cb 1.38 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 1j3s h ALA 92 CO -0.26 0.27 0.61 0.22 0.00 0.00 0.00 179.25 180.09 1j3s h ASP 93 N 0.53 0.44 0.45 0.00 3.58 -0.26 -1.11 116.42 120.05 1j3s h ASP 93 Ca 0.12 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.60 1j3s h ASP 93 Cb 0.40 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1j3s h ASP 93 CO 0.01 0.17 -0.22 -0.07 -2.88 0.00 0.00 179.24 176.25 1j3s h LEU 94 N 0.43 -0.51 0.03 2.28 3.38 -1.14 -1.93 115.31 117.85 1j3s h LEU 94 Ca 0.49 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.37 1j3s h LEU 94 Cb 1.18 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1j3s h LEU 94 CO -0.20 -0.19 -0.04 0.40 0.09 0.00 0.00 178.44 178.50 1j3s h ILE 95 N -0.85 0.00 -1.06 1.22 1.08 -1.08 -1.77 117.51 115.05 1j3s h ILE 95 Ca -0.06 0.00 0.43 0.00 -0.39 0.00 0.00 64.86 64.84 1j3s h ILE 95 Cb 0.57 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 34.14 1j3s h ILE 95 CO 0.10 0.00 0.60 0.00 -0.69 0.00 0.00 178.15 178.16 1j3s n ALA 96 N -2.36 1.09 0.05 1.87 0.00 -0.56 0.58 120.51 121.17 1j3s n ALA 96 Ca -0.01 1.00 -0.12 0.00 0.00 0.00 0.00 53.44 54.30 1j3s n ALA 96 Cb 0.03 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.38 1j3s n ALA 96 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1j3s h TYR 97 N 0.00 -0.04 0.00 0.00 3.20 -0.52 -1.03 116.97 118.58 1j3s h TYR 97 Ca 0.86 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.72 1j3s h TYR 97 Cb 2.35 0.01 0.00 0.00 1.54 0.00 0.00 36.73 40.63 1j3s h TYR 97 CO -0.01 0.07 0.00 1.28 -1.64 0.00 0.00 178.16 177.86 1j3s n LEU 98 N -5.06 0.00 -0.00 2.82 7.99 0.20 -1.62 117.00 121.32 1j3s n LEU 98 Ca -0.08 0.17 0.10 0.00 -0.01 0.00 0.00 56.01 56.20 1j3s n LEU 98 Cb 0.09 -0.17 -0.11 0.00 -0.11 0.00 0.00 43.42 43.12 1j3s n LEU 98 CO 0.33 -0.04 -0.16 1.17 -1.51 0.00 0.00 177.39 177.18 1j3s n LYS 99 N -1.17 0.14 -0.04 3.23 4.81 0.17 -3.82 118.16 121.48 1j3s n LYS 99 Ca 0.14 -0.04 -0.07 0.00 -0.87 0.00 0.00 58.31 57.47 1j3s n LYS 99 Cb 0.14 -1.51 -0.03 0.00 0.02 0.00 0.00 35.03 33.65 1j3s n LYS 99 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1j3s n LYS 100 N -1.67 0.19 0.08 1.64 4.81 -0.50 -4.01 118.16 118.70 1j3s n LYS 100 Ca 0.02 0.06 -0.09 0.00 -0.87 0.00 0.00 58.31 57.43 1j3s n LYS 100 Cb 0.38 -1.03 0.02 0.00 0.02 0.00 0.00 35.03 34.42 1j3s n LYS 100 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1j3s h ALA 101 N -0.11 0.57 -1.03 3.14 0.00 -1.54 -3.35 119.26 116.94 1j3s h ALA 101 Ca -0.19 -0.67 -0.46 0.00 0.00 0.00 0.00 54.91 53.58 1j3s h ALA 101 Cb 1.24 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 18.55 1j3s h ALA 101 CO -0.06 0.85 -0.94 0.25 0.00 0.00 0.00 179.25 179.35 1j3s n THR 102 N -3.73 1.86 -2.59 0.00 -2.24 -1.25 -4.79 114.28 101.54 1j3s n THR 102 Ca -0.04 -3.95 -0.02 0.00 -2.27 0.00 0.00 64.05 57.77 1j3s n THR 102 Cb 0.76 -0.31 -0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1j3s n THR 102 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1j3s n ASN 103 N -0.44 -0.66 0.00 3.42 5.15 -1.25 -4.52 115.26 116.96 1j3s n ASN 103 Ca 0.27 -1.39 0.00 0.00 -0.60 0.00 0.00 54.58 52.86 1j3s n ASN 103 Cb 0.79 0.55 0.00 0.00 -0.53 0.00 0.00 39.78 40.59 1j3s n ASN 103 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87