#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 0.28 -0.23 1.61 1.01 -1.26 -5.08 116.67 113.00 1j3s s ASP 2 Ca 0.00 -1.31 -0.11 0.00 0.71 0.00 0.00 52.55 51.84 1j3s s ASP 2 Cb 0.00 0.47 -0.17 0.00 1.01 0.00 0.00 42.92 44.23 1j3s s ASP 2 CO 0.00 -0.97 -0.08 0.55 0.21 0.00 0.00 175.17 174.88 1j3s n VAL 3 N -0.35 1.56 0.31 -1.27 3.14 -1.26 -3.08 118.33 117.39 1j3s n VAL 3 Ca 0.01 -0.38 0.20 0.00 -2.96 0.00 0.00 64.34 61.22 1j3s n VAL 3 Cb 0.64 -1.80 0.98 0.00 -1.06 0.00 0.00 33.84 32.61 1j3s n VAL 3 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1j3s h GLU 4 N -0.61 0.00 0.04 1.45 5.08 -2.01 -2.25 114.58 116.28 1j3s h GLU 4 Ca -0.55 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.49 1j3s h GLU 4 Cb 1.67 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.87 1j3s h GLU 4 CO -0.22 0.00 -1.89 1.63 -1.00 0.00 0.00 179.01 177.53 1j3s n LYS 5 N -3.07 0.67 0.28 2.33 5.02 -1.26 -3.90 118.16 118.24 1j3s n LYS 5 Ca -0.01 0.25 0.17 0.00 -2.02 0.00 0.00 58.31 56.70 1j3s n LYS 5 Cb 0.17 -1.73 0.70 0.00 -0.02 0.00 0.00 35.03 34.15 1j3s n LYS 5 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1j3s h GLY 6 N 2.81 0.00 1.74 0.72 0.00 -1.35 -2.17 103.07 104.82 1j3s h GLY 6 Ca -0.36 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 1j3s h GLY 6 CO 0.07 0.00 -0.51 1.70 0.00 0.00 0.00 176.54 177.80 1j3s h LYS 7 N 0.00 0.27 0.03 4.80 3.64 -1.55 -2.87 116.57 120.90 1j3s h LYS 7 Ca -0.00 -0.16 -0.27 0.00 -1.27 0.00 0.00 60.65 58.95 1j3s h LYS 7 Cb 0.49 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1j3s h LYS 7 CO 0.00 0.72 -1.45 0.87 -2.27 0.00 0.00 179.45 177.33 1j3s h LYS 8 N 0.22 0.07 0.54 1.90 1.57 -1.62 -2.56 116.57 116.68 1j3s h LYS 8 Ca 0.01 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1j3s h LYS 8 Cb 0.98 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 1j3s h LYS 8 CO 0.08 0.84 -0.38 0.82 -0.57 0.00 0.00 179.45 180.24 1j3s h ILE 9 N 0.02 0.24 -0.45 1.86 1.08 -1.32 -0.11 117.51 118.82 1j3s h ILE 9 Ca -0.19 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.18 1j3s h ILE 9 Cb 1.94 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 35.91 1j3s h ILE 9 CO 0.12 0.00 -0.10 0.15 -0.69 0.00 0.00 178.15 177.62 1j3s h PHE 10 N -0.88 0.98 0.00 1.37 3.04 -1.66 0.60 116.94 120.39 1j3s h PHE 10 Ca -0.06 -0.21 0.00 0.00 3.98 0.00 0.00 57.97 61.68 1j3s h PHE 10 Cb 0.74 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 39.01 1j3s h PHE 10 CO -0.13 0.96 0.19 0.82 -2.02 0.00 0.00 178.31 178.13 1j3s h ILE 11 N 0.71 0.00 -0.00 1.41 1.08 -1.19 -0.48 117.51 119.04 1j3s h ILE 11 Ca 0.12 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.59 1j3s h ILE 11 Cb 0.64 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 35.07 1j3s h ILE 11 CO 0.04 0.00 -0.02 0.80 -0.69 0.00 0.00 178.15 178.28 1j3s n MET 12 N -2.74 3.60 -0.07 2.37 1.56 -0.08 -4.31 117.12 117.46 1j3s n MET 12 Ca -0.02 -0.23 -0.07 0.00 -0.27 0.00 0.00 57.70 57.11 1j3s n MET 12 Cb 0.24 -0.74 -0.02 0.00 2.15 0.00 0.00 33.22 34.85 1j3s n MET 12 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1j3s n LYS 13 N -0.58 0.42 -2.33 2.12 3.00 0.20 -4.76 118.16 116.23 1j3s n LYS 13 Ca 0.00 0.20 -0.17 0.00 -0.00 0.00 0.00 58.31 58.34 1j3s n LYS 13 Cb 0.02 -1.27 0.03 0.00 0.00 0.00 0.00 35.03 33.80 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 -0.61 2.15 -0.11 0.00 2.88 -0.77 -2.03 113.62 115.12 1j3s n SER 15 Ca 0.31 -1.65 -0.14 0.00 -1.33 0.00 0.00 58.87 56.06 1j3s n SER 15 Cb 0.88 0.07 -0.14 0.00 -0.75 0.00 0.00 64.21 64.27 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 0.56 0.68 -0.02 -1.46 6.02 -1.26 -4.26 117.38 117.63 1j3s n GLN 16 Ca 0.15 0.07 0.08 0.00 -0.01 0.00 0.00 57.00 57.29 1j3s n GLN 16 Cb 0.47 -1.52 -0.17 0.00 1.02 0.00 0.00 30.24 30.05 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 -3.37 2.80 -1.00 0.00 3.76 -0.86 0.08 115.29 116.69 1j3s s HIS 18 Ca -0.08 -3.02 -0.23 0.00 -0.15 0.00 0.00 55.06 51.57 1j3s s HIS 18 Cb 0.13 -2.16 0.04 0.00 1.11 0.00 0.00 32.58 31.70 1j3s s HIS 18 CO 0.90 -0.64 1.49 0.95 -0.85 0.00 0.00 174.74 176.60 1j3s s THR 19 N -0.97 3.87 -2.00 1.30 -4.23 -1.26 -4.36 115.64 107.99 1j3s s THR 19 Ca 0.27 -0.69 0.04 0.00 -1.18 0.00 0.00 61.69 60.13 1j3s s THR 19 Cb -0.03 -4.95 0.12 0.00 1.34 0.00 0.00 72.50 68.98 1j3s s THR 19 CO -0.17 -1.84 1.15 1.33 -0.54 0.00 0.00 174.62 174.54 1j3s n VAL 20 N 6.97 0.00 -1.80 2.29 0.24 -1.26 -3.77 118.33 121.00 1j3s n VAL 20 Ca 0.33 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.61 1j3s n VAL 20 Cb 0.51 -0.07 -0.02 0.00 -1.47 0.00 0.00 33.84 32.78 1j3s n VAL 20 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1j3s n GLU 21 N -0.57 0.00 -1.32 7.34 0.28 -1.26 -4.73 120.64 120.39 1j3s n GLU 21 Ca 0.03 -0.28 -0.32 0.00 -0.16 0.00 0.00 57.16 56.44 1j3s n GLU 21 Cb 0.01 0.19 0.10 0.00 1.43 0.00 0.00 31.44 33.17 1j3s n GLU 21 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1j3s n LYS 22 N 0.00 2.59 0.00 3.44 0.00 -1.25 -4.78 118.16 118.17 1j3s n LYS 22 Ca -0.08 -3.24 0.00 0.00 0.00 0.00 0.00 58.31 54.99 1j3s n LYS 22 Cb 0.46 -2.26 0.00 0.00 0.00 0.00 0.00 35.03 33.23 1j3s n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1j3s n GLY 23 N -0.97 1.81 0.00 3.14 0.00 -1.26 -4.43 105.19 103.48 1j3s n GLY 23 Ca 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 0.00 1.01 3.58 -0.02 0.00 -1.26 -5.07 105.19 103.43 1j3s n GLY 24 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.84 3.81 0.64 1.61 2.20 -1.26 -4.97 119.74 120.93 1j3s s LYS 25 Ca 0.00 -0.10 -0.02 0.00 -0.36 0.00 0.00 55.97 55.50 1j3s s LYS 25 Cb 0.00 -3.73 0.07 0.00 -1.51 0.00 0.00 37.83 32.66 1j3s s LYS 25 CO 0.00 -0.43 0.90 -3.38 -0.36 0.00 0.00 175.35 172.08 1j3s s HIS 26 N 2.15 2.53 0.00 4.03 0.00 -1.26 -4.80 115.29 117.95 1j3s s HIS 26 Ca 0.16 0.04 0.00 0.00 -3.00 0.00 0.00 55.06 52.26 1j3s s HIS 26 Cb -0.16 -2.95 0.00 0.00 -4.00 0.00 0.00 32.58 25.47 1j3s s HIS 26 CO 0.11 -1.25 0.00 1.17 -1.00 0.00 0.00 174.74 173.77 1j3s n LYS 27 N -2.64 0.00 0.38 -0.38 4.81 -1.26 -4.98 118.16 114.09 1j3s n LYS 27 Ca 0.10 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.38 1j3s n LYS 27 Cb 0.60 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.58 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 0.03 -2.95 3.15 2.02 -1.86 -3.43 112.91 109.86 1j3s h THR 28 Ca 0.00 -0.27 -0.54 0.00 0.77 0.00 0.00 66.41 66.37 1j3s h THR 28 Cb 0.00 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.43 1j3s h THR 28 CO 0.00 0.00 -0.30 -0.83 0.37 0.00 0.00 175.52 174.77 1j3s s GLY 29 N -2.40 1.87 0.20 2.16 0.00 0.11 -5.03 107.32 104.23 1j3s s GLY 29 Ca -0.15 -0.74 -0.30 0.00 0.00 0.00 0.00 44.72 43.53 1j3s s GLY 29 CO 0.45 -0.68 1.31 2.56 0.00 0.00 0.00 173.10 176.74 1j3s s PRO 30 N -3.26 4.38 -0.77 2.90 0.04 -1.26 -4.59 135.00 132.44 1j3s s PRO 30 Ca 0.40 2.06 -0.31 0.00 0.04 0.00 0.00 61.00 63.19 1j3s s PRO 30 Cb -0.11 -3.19 -0.17 0.00 0.04 0.00 0.00 34.50 31.07 1j3s s PRO 30 CO 0.29 -0.26 2.55 -1.71 0.04 0.00 0.00 177.00 177.91 1j3s n ASN 31 N 2.61 1.04 -1.65 6.66 4.05 -1.26 -4.73 115.26 121.99 1j3s n ASN 31 Ca 0.06 0.03 -0.05 0.00 0.45 0.00 0.00 54.58 55.07 1j3s n ASN 31 Cb 0.43 -1.14 -0.02 0.00 1.23 0.00 0.00 39.78 40.28 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 11.83 5.55 -3.93 1.20 4.32 -1.26 -4.70 117.00 130.01 1j3s n LEU 32 Ca 0.55 -2.69 -0.43 0.00 -0.02 0.00 0.00 56.01 53.43 1j3s n LEU 32 Cb 0.19 -1.16 0.01 0.00 -1.62 0.00 0.00 43.42 40.84 1j3s n LEU 32 CO 0.86 1.15 1.77 1.57 -1.22 0.00 0.00 177.39 181.51 1j3s n HIS 33 N 1.42 2.98 0.00 -1.77 -0.00 -1.26 -3.97 115.22 112.61 1j3s n HIS 33 Ca 0.11 -2.80 0.00 0.00 0.46 0.00 0.00 57.72 55.49 1j3s n HIS 33 Cb 0.56 -1.84 0.00 0.00 -0.12 0.00 0.00 29.99 28.59 1j3s n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1j3s n GLY 34 N 2.63 1.84 0.40 1.57 0.00 -1.26 -4.99 105.19 105.38 1j3s n GLY 34 Ca 0.37 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.61 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 0.00 0.00 -9.71 0.99 5.85 -1.86 -3.39 115.31 107.19 1j3s h LEU 35 Ca 0.00 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 58.20 1j3s h LEU 35 Cb 0.00 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.06 1j3s h LEU 35 CO 0.00 0.00 0.63 -0.36 -0.34 0.00 0.00 178.44 178.37 1j3s s PHE 36 N -4.99 3.27 -0.07 1.25 0.40 -1.26 -2.41 117.98 114.16 1j3s s PHE 36 Ca -0.05 1.30 0.00 0.00 -0.60 0.00 0.00 56.93 57.58 1j3s s PHE 36 Cb 0.20 -3.58 0.00 0.00 0.51 0.00 0.00 43.02 40.15 1j3s s PHE 36 CO 0.73 -1.73 0.00 0.41 0.70 0.00 0.00 175.22 175.33 1j3s n GLY 37 N 2.06 0.48 3.42 4.36 0.00 -1.26 -4.99 105.19 109.26 1j3s n GLY 37 Ca 0.05 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.84 0.46 1.03 1.61 3.52 -1.01 -5.10 118.95 118.62 1j3s s ARG 38 Ca 0.00 1.12 -0.11 0.00 -0.13 0.00 0.00 55.73 56.60 1j3s s ARG 38 Cb 0.00 0.36 0.21 0.00 -1.56 0.00 0.00 34.95 33.96 1j3s s ARG 38 CO 0.00 -0.20 1.08 0.15 -0.81 0.00 0.00 175.30 175.52 1j3s s LYS 39 N 2.27 0.12 0.41 5.12 3.01 -1.26 -4.54 119.74 124.87 1j3s s LYS 39 Ca -0.06 1.14 0.08 0.00 -1.01 0.00 0.00 55.97 56.13 1j3s s LYS 39 Cb -0.10 -1.65 0.00 0.00 -1.01 0.00 0.00 37.83 35.07 1j3s s LYS 39 CO -0.15 -3.12 0.52 -0.08 0.51 0.00 0.00 175.35 173.03 1j3s s THR 40 N -2.59 3.01 0.00 2.17 -1.32 -1.26 -4.86 115.64 110.79 1j3s s THR 40 Ca 0.67 -1.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.07 1j3s s THR 40 Cb -0.23 -3.03 0.00 0.00 -1.51 0.00 0.00 72.50 67.73 1j3s s THR 40 CO 0.61 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.62 1j3s n GLY 41 N -1.77 0.38 0.00 6.08 0.00 -1.26 -3.04 105.19 105.59 1j3s n GLY 41 Ca 0.06 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1j3s n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j3s n GLN 42 N -0.62 0.00 -1.13 1.61 0.00 -1.26 -4.82 117.38 111.15 1j3s n GLN 42 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.00 56.62 1j3s n GLN 42 Cb 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.50 1j3s n GLN 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1j3s n ALA 43 N -0.65 -2.57 -2.58 2.61 0.00 -1.26 -4.83 120.51 111.23 1j3s n ALA 43 Ca 0.00 0.32 -0.42 0.00 0.00 0.00 0.00 53.44 53.33 1j3s n ALA 43 Cb 0.00 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 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 -0.82 4.46 0.00 0.00 0.04 -1.26 -3.59 135.00 133.83 1j3s s PRO 44 Ca 0.52 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1j3s s PRO 44 Cb -0.72 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1j3s s PRO 44 CO 0.47 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.69 1j3s n GLY 45 N 3.11 1.96 2.78 0.56 0.00 -1.26 -4.78 105.19 107.56 1j3s n GLY 45 Ca 0.08 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 2.59 -1.70 1.61 9.36 -1.24 -4.96 117.16 122.81 1j3s n TYR 46 Ca 0.00 -2.60 -0.28 0.00 3.32 0.00 0.00 57.90 58.34 1j3s n TYR 46 Cb 0.00 -1.20 -0.05 0.00 -0.63 0.00 0.00 39.34 37.46 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 -1.56 4.47 1.01 2.98 0.01 -1.24 -4.45 113.70 114.92 1j3s s SER 47 Ca 0.36 0.40 -0.13 0.00 1.31 0.00 0.00 55.95 57.90 1j3s s SER 47 Cb 0.14 -2.53 0.20 0.00 0.21 0.00 0.00 66.02 64.04 1j3s s SER 47 CO -0.04 -3.12 0.45 -1.22 0.41 0.00 0.00 173.24 169.72 1j3s n TYR 48 N 16.11 -2.57 -1.56 2.43 4.01 -1.26 -4.51 117.16 129.81 1j3s n TYR 48 Ca 0.38 -0.13 -0.14 0.00 -0.16 0.00 0.00 57.90 57.85 1j3s n TYR 48 Cb 0.50 -1.23 -0.07 0.00 -0.31 0.00 0.00 39.34 38.22 1j3s n TYR 48 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1j3s n THR 49 N -4.44 -0.00 -0.27 -0.72 -2.24 -1.26 -4.71 114.28 100.62 1j3s n THR 49 Ca 0.07 -0.51 0.23 0.00 -2.27 0.00 0.00 64.05 61.57 1j3s n THR 49 Cb 0.31 -1.99 0.39 0.00 -2.10 0.00 0.00 70.33 66.94 1j3s n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j3s n ALA 50 N 18.44 0.79 -0.29 6.98 0.00 -1.26 -0.53 120.51 144.64 1j3s n ALA 50 Ca 0.47 0.50 -0.08 0.00 0.00 0.00 0.00 53.44 54.33 1j3s n ALA 50 Cb 0.43 -0.61 -0.07 0.00 0.00 0.00 0.00 19.45 19.20 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 -2.56 -0.45 -0.01 0.00 0.00 -1.26 -1.51 120.51 114.72 1j3s n ALA 51 Ca 0.23 0.59 -0.00 0.00 0.00 0.00 0.00 53.44 54.26 1j3s n ALA 51 Cb 0.91 0.05 -0.00 0.00 0.00 0.00 0.00 19.45 20.40 1j3s n ALA 51 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1j3s n ASN 52 N -4.57 -0.04 -0.35 0.00 4.05 0.31 0.42 115.26 115.08 1j3s n ASN 52 Ca 0.01 0.97 0.29 0.00 0.45 0.00 0.00 54.58 56.30 1j3s n ASN 52 Cb 0.18 -0.46 0.54 0.00 1.23 0.00 0.00 39.78 41.28 1j3s n ASN 52 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 177.26 174.71 1j3s h LYS 53 N 0.00 0.19 -0.50 1.20 3.11 -1.18 0.44 116.57 119.82 1j3s h LYS 53 Ca 0.01 -0.01 -0.08 0.00 -2.81 0.00 0.00 60.65 57.76 1j3s h LYS 53 Cb 0.01 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.18 1j3s h LYS 53 CO -0.03 0.12 0.01 -0.91 -2.81 0.00 0.00 179.45 175.83 1j3s h ASN 54 N 0.19 0.86 -0.04 4.20 2.35 0.10 -2.09 115.58 121.16 1j3s h ASN 54 Ca 0.78 -0.30 0.01 0.00 -0.55 0.00 0.00 56.30 56.24 1j3s h ASN 54 Cb 2.01 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 40.15 1j3s h ASN 54 CO -0.59 0.96 0.47 0.50 -1.65 0.00 0.00 177.43 177.12 1j3s h LYS 55 N 0.75 0.00 -5.09 0.81 1.63 0.12 -3.44 116.57 111.35 1j3s h LYS 55 Ca 0.14 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.59 1j3s h LYS 55 Cb 0.51 0.00 0.11 0.00 -0.60 0.00 0.00 32.23 32.25 1j3s h LYS 55 CO 0.02 0.00 -0.59 0.41 -3.45 0.00 0.00 179.45 175.85 1j3s n GLY 56 N -1.29 -0.36 3.49 5.01 0.00 -0.79 -4.96 105.19 106.29 1j3s n GLY 56 Ca -0.01 0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.26 4.68 -0.70 -0.61 -1.16 -1.26 -5.03 121.20 113.85 1j3s s ILE 57 Ca 0.49 -0.12 -0.26 0.00 -0.51 0.00 0.00 60.65 60.25 1j3s s ILE 57 Cb -0.21 -3.24 0.04 0.00 0.61 0.00 0.00 42.46 39.65 1j3s s ILE 57 CO 0.60 0.25 1.18 -0.51 -2.81 0.00 0.00 174.94 173.66 1j3s s ILE 58 N 1.66 3.92 -0.47 2.00 1.10 -1.26 -4.57 121.20 123.57 1j3s s ILE 58 Ca 0.06 0.27 -0.44 0.00 -0.51 0.00 0.00 60.65 60.03 1j3s s ILE 58 Cb -0.16 -4.83 -0.19 0.00 0.15 0.00 0.00 42.46 37.43 1j3s s ILE 58 CO 0.06 -1.69 1.60 0.79 -2.11 0.00 0.00 174.94 173.59 1j3s n TRP 59 N 8.83 1.55 -2.96 3.50 5.03 -1.26 -4.90 117.44 127.23 1j3s n TRP 59 Ca 0.02 1.02 0.00 0.00 3.03 0.00 0.00 57.50 61.57 1j3s n TRP 59 Cb 0.48 -2.11 0.00 0.00 -1.03 0.00 0.00 31.31 28.65 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 4.36 6.33 0.08 6.99 0.00 -1.26 -4.25 105.19 117.44 1j3s n GLY 60 Ca 0.33 -1.68 -0.02 0.00 0.00 0.00 0.00 46.02 44.65 1j3s n GLY 60 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1j3s h GLU 61 N 0.00 -0.12 -0.17 1.61 4.81 -1.98 -2.80 114.58 115.93 1j3s h GLU 61 Ca 0.00 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.08 1j3s h GLU 61 Cb 0.00 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1j3s h GLU 61 CO 0.00 -0.08 -0.56 -0.44 -0.73 0.00 0.00 179.01 177.21 1j3s h ASP 62 N -0.73 0.57 -0.39 1.04 3.32 -1.99 -1.47 116.42 116.77 1j3s h ASP 62 Ca -0.01 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 56.74 1j3s h ASP 62 Cb 0.09 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1j3s h ASP 62 CO 0.02 1.01 0.24 0.74 -1.72 0.00 0.00 179.24 179.54 1j3s h THR 63 N 0.39 1.07 -0.22 0.35 2.02 -1.92 -2.18 112.91 112.42 1j3s h THR 63 Ca 0.01 -0.17 -0.14 0.00 0.77 0.00 0.00 66.41 66.87 1j3s h THR 63 Cb 1.09 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1j3s h THR 63 CO 0.10 0.09 -0.46 0.25 0.37 0.00 0.00 175.52 175.87 1j3s h LEU 64 N 0.50 0.61 -0.85 2.58 6.46 -1.43 -2.94 115.31 120.24 1j3s h LEU 64 Ca 0.15 -0.29 0.18 0.00 -0.12 0.00 0.00 57.88 57.80 1j3s h LEU 64 Cb -0.03 -0.17 -0.11 0.00 -0.73 0.00 0.00 40.66 39.62 1j3s h LEU 64 CO -0.05 0.98 0.36 -0.03 -0.62 0.00 0.00 178.44 179.08 1j3s h MET 65 N 0.45 0.43 0.00 1.25 4.05 -0.64 0.19 114.93 120.66 1j3s h MET 65 Ca 0.03 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1j3s h MET 65 Cb 0.98 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.69 1j3s h MET 65 CO 0.09 0.28 -0.00 1.49 0.23 0.00 0.00 176.91 179.00 1j3s h GLU 66 N 0.44 -0.01 -0.10 0.39 4.81 -1.31 -1.89 114.58 116.92 1j3s h GLU 66 Ca 0.50 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.76 1j3s h GLU 66 Cb 0.86 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.24 1j3s h GLU 66 CO -0.47 0.38 0.28 -0.92 -0.73 0.00 0.00 179.01 177.55 1j3s h TYR 67 N -0.39 0.00 0.14 0.92 3.20 -0.96 -0.05 116.97 119.83 1j3s h TYR 67 Ca -0.00 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.53 1j3s h TYR 67 Cb 0.39 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1j3s h TYR 67 CO 0.06 0.00 -1.76 -0.07 -1.64 0.00 0.00 178.16 174.75 1j3s h LEU 68 N 0.00 0.46 -2.58 2.82 4.07 -0.63 -0.09 115.31 119.37 1j3s h LEU 68 Ca 0.05 -0.77 0.01 0.00 0.08 0.00 0.00 57.88 57.25 1j3s h LEU 68 Cb 0.60 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.19 1j3s h LEU 68 CO -0.00 1.66 0.04 -0.08 -1.08 0.00 0.00 178.44 178.98 1j3s h GLU 69 N 0.08 0.00 -0.14 1.13 4.81 -0.21 -3.39 114.58 116.86 1j3s h GLU 69 Ca -0.33 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.09 1j3s h GLU 69 Cb 2.06 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 31.26 1j3s h GLU 69 CO 0.14 0.00 -0.02 0.54 -0.73 0.00 0.00 179.01 178.95 1j3s s ASN 70 N -5.73 -0.22 0.15 1.04 2.20 -0.90 -5.02 114.94 106.47 1j3s s ASN 70 Ca -0.05 -0.04 -0.05 0.00 -0.94 0.00 0.00 52.86 51.79 1j3s s ASN 70 Cb 0.14 0.71 -0.01 0.00 -2.00 0.00 0.00 41.25 40.09 1j3s s ASN 70 CO 0.49 -0.03 1.39 1.55 -2.94 0.00 0.00 177.10 177.56 1j3s h PRO 71 N 6.21 0.50 0.00 3.55 0.13 -1.20 -2.66 132.00 138.54 1j3s h PRO 71 Ca -0.08 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1j3s h PRO 71 Cb 1.21 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1j3s h PRO 71 CO -0.11 1.06 0.00 1.17 -0.23 0.00 0.00 178.00 179.88 1j3s n LYS 72 N -3.85 0.05 -0.11 0.86 3.00 -1.26 -1.87 118.16 114.98 1j3s n LYS 72 Ca -0.05 0.22 -0.23 0.00 -0.00 0.00 0.00 58.31 58.24 1j3s n LYS 72 Cb 0.73 -1.50 -0.11 0.00 0.00 0.00 0.00 35.03 34.15 1j3s n LYS 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1j3s n LYS 73 N -1.45 0.57 0.10 1.64 3.00 -1.02 -4.46 118.16 116.53 1j3s n LYS 73 Ca 0.04 0.51 -0.04 0.00 -0.00 0.00 0.00 58.31 58.83 1j3s n LYS 73 Cb 0.17 -1.70 -0.02 0.00 0.00 0.00 0.00 35.03 33.48 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 -0.26 -3.51 5.64 3.20 -1.44 -3.41 116.97 116.20 1j3s h TYR 74 Ca -0.41 -0.01 -0.65 0.00 3.14 0.00 0.00 58.73 60.80 1j3s h TYR 74 Cb 1.35 0.09 -0.15 0.00 1.54 0.00 0.00 36.73 39.56 1j3s h TYR 74 CO 0.05 -0.16 0.18 0.42 -1.64 0.00 0.00 178.16 177.01 1j3s s ILE 75 N -2.59 4.78 -1.29 1.81 -1.09 -0.78 -4.94 121.20 117.09 1j3s s ILE 75 Ca -0.04 0.06 -0.17 0.00 -2.23 0.00 0.00 60.65 58.27 1j3s s ILE 75 Cb 0.00 -4.26 0.01 0.00 -1.58 0.00 0.00 42.46 36.63 1j3s s ILE 75 CO 0.12 -0.69 2.04 -0.81 -1.23 0.00 0.00 174.94 174.37 1j3s n PRO 76 N 6.40 2.63 0.00 2.79 -0.04 -1.26 -3.27 135.00 142.25 1j3s n PRO 76 Ca -0.02 -2.64 0.00 0.00 -0.04 0.00 0.00 63.50 60.81 1j3s n PRO 76 Cb 0.47 -3.31 0.00 0.00 -0.04 0.00 0.00 33.50 30.62 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 4.60 0.19 3.61 0.55 0.00 -1.26 -4.76 105.19 108.12 1j3s n GLY 77 Ca 0.50 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 46.05 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 0.82 -0.46 2.61 5.66 -1.20 -4.83 114.28 116.87 1j3s n THR 78 Ca 0.00 -0.21 0.11 0.00 -3.05 0.00 0.00 64.05 60.90 1j3s n THR 78 Cb 0.00 -1.04 0.34 0.00 -1.55 0.00 0.00 70.33 68.08 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 1.94 3.15 -3.02 1.09 5.02 -1.26 -4.74 118.16 120.33 1j3s n LYS 79 Ca 0.14 -2.76 -0.41 0.00 -2.02 0.00 0.00 58.31 53.27 1j3s n LYS 79 Cb 0.26 -1.71 -0.05 0.00 -0.02 0.00 0.00 35.03 33.51 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 -1.36 4.24 -0.43 1.97 0.23 -1.26 -4.91 119.30 117.77 1j3s s MET 80 Ca 0.50 0.78 0.04 0.00 -1.03 0.00 0.00 55.69 55.98 1j3s s MET 80 Cb 0.29 -3.58 0.49 0.00 -1.53 0.00 0.00 34.83 30.50 1j3s s MET 80 CO 0.30 -0.30 1.62 -0.89 -2.03 0.00 0.00 175.02 173.73 1j3s n ILE 81 N 4.76 2.98 0.10 3.16 2.08 -1.26 -4.68 119.36 126.50 1j3s n ILE 81 Ca 0.01 -3.18 0.09 0.00 0.56 0.00 0.00 62.75 60.23 1j3s n ILE 81 Cb 0.49 -0.86 0.55 0.00 -0.75 0.00 0.00 39.64 39.07 1j3s n ILE 81 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1j3s h PHE 82 N 1.69 0.23 0.00 1.39 3.57 -1.97 -3.43 116.94 118.43 1j3s h PHE 82 Ca 0.44 0.01 -0.44 0.00 3.53 0.00 0.00 57.97 61.50 1j3s h PHE 82 Cb 1.46 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 40.07 1j3s h PHE 82 CO 1.18 0.14 1.12 1.33 -2.23 0.00 0.00 178.31 179.85 1j3s n VAL 83 N -4.49 0.00 0.00 1.41 0.24 -1.26 -4.40 118.33 109.83 1j3s n VAL 83 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1j3s n VAL 83 Cb 0.17 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.19 1j3s n VAL 83 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j3s n GLY 84 N 4.97 0.22 3.76 7.63 0.00 -1.26 -5.11 105.19 115.40 1j3s n GLY 84 Ca 0.44 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 1j3s n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j3s s ILE 85 N -1.06 2.10 -0.32 -0.61 1.01 -1.26 -4.94 121.20 116.11 1j3s s ILE 85 Ca 0.00 0.09 0.14 0.00 0.00 0.00 0.00 60.65 60.88 1j3s s ILE 85 Cb 0.00 -3.05 0.46 0.00 0.01 0.00 0.00 42.46 39.88 1j3s s ILE 85 CO 0.00 0.01 1.07 2.29 0.00 0.00 0.00 174.94 178.31 1j3s n LYS 86 N -0.26 2.26 -3.66 2.79 2.85 -1.26 -5.01 118.16 115.86 1j3s n LYS 86 Ca 0.06 -3.77 -0.27 0.00 -1.05 0.00 0.00 58.31 53.28 1j3s n LYS 86 Cb 0.42 -1.76 -0.17 0.00 -0.65 0.00 0.00 35.03 32.88 1j3s n LYS 86 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1j3s s LYS 87 N -3.49 0.29 0.56 -1.58 2.47 -1.26 -4.99 119.74 111.74 1j3s s LYS 87 Ca 0.36 -0.21 0.29 0.00 -1.56 0.00 0.00 55.97 54.86 1j3s s LYS 87 Cb 0.40 -1.92 1.46 0.00 -1.46 0.00 0.00 37.83 36.31 1j3s s LYS 87 CO -0.03 -0.65 1.91 0.87 0.16 0.00 0.00 175.35 177.60 1j3s h LYS 88 N 8.35 0.00 -0.17 4.03 1.57 -2.00 -0.20 116.57 128.16 1j3s h LYS 88 Ca -0.15 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1j3s h LYS 88 Cb 1.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 1j3s h LYS 88 CO 0.31 0.00 -0.07 1.49 -0.57 0.00 0.00 179.45 180.60 1j3s h GLU 89 N 0.00 0.34 0.02 3.15 4.57 -2.00 -2.45 114.58 118.21 1j3s h GLU 89 Ca 0.30 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1j3s h GLU 89 Cb 1.36 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 1j3s h GLU 89 CO -0.00 0.65 -0.01 1.49 -1.18 0.00 0.00 179.01 179.95 1j3s h GLU 90 N 0.02 -0.03 -0.85 1.92 4.57 -1.46 -2.19 114.58 116.56 1j3s h GLU 90 Ca 0.04 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.36 1j3s h GLU 90 Cb 0.54 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 29.04 1j3s h GLU 90 CO 0.02 0.06 0.44 0.00 -1.18 0.00 0.00 179.01 178.35 1j3s h ARG 91 N -0.11 0.62 -0.96 1.92 3.08 -1.48 0.16 114.38 117.62 1j3s h ARG 91 Ca -0.00 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1j3s h ARG 91 Cb 0.10 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 1j3s h ARG 91 CO 0.00 0.41 0.62 0.00 -1.07 0.00 0.00 179.97 179.94 1j3s h ALA 92 N 1.55 1.29 -0.01 0.04 0.00 -1.02 -0.92 119.26 120.20 1j3s h ALA 92 Ca 0.46 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 1j3s h ALA 92 Cb 0.62 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1j3s h ALA 92 CO -0.35 0.64 -0.29 -0.44 0.00 0.00 0.00 179.25 178.82 1j3s h ASP 93 N 1.30 0.01 -0.57 0.00 5.19 -0.11 -1.43 116.42 120.81 1j3s h ASP 93 Ca 0.35 -0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.70 1j3s h ASP 93 Cb -0.13 -0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.35 1j3s h ASP 93 CO -0.07 0.30 0.13 -0.07 -3.12 0.00 0.00 179.24 176.41 1j3s h LEU 94 N 0.01 0.88 -0.29 1.55 3.38 -0.06 -2.61 115.31 118.16 1j3s h LEU 94 Ca -0.00 -0.24 -0.20 0.00 0.09 0.00 0.00 57.88 57.53 1j3s h LEU 94 Cb 0.52 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1j3s h LEU 94 CO 0.04 0.89 -0.86 0.40 0.09 0.00 0.00 178.44 179.00 1j3s h ILE 95 N 0.82 1.43 -0.39 1.22 1.08 -1.19 -2.77 117.51 117.72 1j3s h ILE 95 Ca 0.18 -2.42 0.04 0.00 -0.39 0.00 0.00 64.86 62.27 1j3s h ILE 95 Cb 0.36 2.35 -0.04 0.00 -3.07 0.00 0.00 36.82 36.42 1j3s h ILE 95 CO 0.00 0.72 0.16 0.00 -0.69 0.00 0.00 178.15 178.34 1j3s h ALA 96 N 0.89 0.47 -0.21 1.87 0.00 -1.05 0.42 119.26 121.64 1j3s h ALA 96 Ca -0.05 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1j3s h ALA 96 Cb 1.47 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1j3s h ALA 96 CO 0.14 -0.22 -0.25 -0.92 0.00 0.00 0.00 179.25 178.00 1j3s h TYR 97 N 0.34 0.66 0.00 0.00 3.20 -1.51 -1.92 116.97 117.73 1j3s h TYR 97 Ca 0.18 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1j3s h TYR 97 Cb 0.13 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.26 1j3s h TYR 97 CO -0.13 0.90 0.00 1.28 -1.64 0.00 0.00 178.16 178.58 1j3s n LEU 98 N -4.38 0.00 -0.01 2.82 7.99 -1.03 -1.39 117.00 121.01 1j3s n LEU 98 Ca -0.05 0.39 0.11 0.00 -0.01 0.00 0.00 56.01 56.44 1j3s n LEU 98 Cb 0.44 -0.39 -0.15 0.00 -0.11 0.00 0.00 43.42 43.21 1j3s n LEU 98 CO 0.43 -0.17 -0.54 1.17 -1.51 0.00 0.00 177.39 176.77 1j3s n LYS 99 N -1.39 0.46 -0.05 3.23 0.00 0.14 -3.65 118.16 116.91 1j3s n LYS 99 Ca 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 58.31 58.21 1j3s n LYS 99 Cb 0.16 -1.51 -0.13 0.00 0.00 0.00 0.00 35.03 33.55 1j3s n LYS 99 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1j3s n LYS 100 N -2.02 1.07 -0.05 1.64 3.00 -0.76 -3.67 118.16 117.36 1j3s n LYS 100 Ca -0.02 -0.06 -0.21 0.00 -0.00 0.00 0.00 58.31 58.02 1j3s n LYS 100 Cb 0.49 -1.41 -0.13 0.00 0.00 0.00 0.00 35.03 33.98 1j3s n LYS 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1j3s h ALA 101 N 1.08 0.28 -0.74 3.14 0.00 -1.44 -3.39 119.26 118.19 1j3s h ALA 101 Ca -0.28 -1.21 -0.52 0.00 0.00 0.00 0.00 54.91 52.90 1j3s h ALA 101 Cb 1.57 0.64 -0.34 0.00 0.00 0.00 0.00 17.79 19.66 1j3s h ALA 101 CO 0.02 0.88 -0.30 0.25 0.00 0.00 0.00 179.25 180.09 1j3s n THR 102 N -4.06 2.80 -2.66 0.00 -2.24 -1.24 -4.71 114.28 102.17 1j3s n THR 102 Ca -0.30 -3.70 -0.03 0.00 -2.27 0.00 0.00 64.05 57.75 1j3s n THR 102 Cb 0.83 -1.02 0.11 0.00 -2.10 0.00 0.00 70.33 68.15 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 -0.82 -1.26 0.00 3.42 5.15 -1.24 -4.63 115.26 115.88 1j3s n ASN 103 Ca 0.47 -1.89 0.00 0.00 -0.60 0.00 0.00 54.58 52.56 1j3s n ASN 103 Cb 0.89 1.11 0.00 0.00 -0.53 0.00 0.00 39.78 41.26 1j3s n ASN 103 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87