#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4h s VAL 2 N 0.00 1.19 -0.08 1.61 0.11 -1.26 -1.89 120.40 120.08 1j4h s VAL 2 Ca 0.00 -0.53 -0.02 0.00 -2.93 0.00 0.00 61.98 58.50 1j4h s VAL 2 Cb 0.00 -1.07 -0.03 0.00 -1.53 0.00 0.00 36.38 33.75 1j4h s VAL 2 CO 0.00 0.36 0.02 -1.10 -3.33 0.00 0.00 175.10 171.05 1j4h s GLN 3 N 0.51 3.01 -0.24 1.54 -0.21 -0.34 -4.95 119.66 118.98 1j4h s GLN 3 Ca -0.12 -0.40 0.01 0.00 0.02 0.00 0.00 55.36 54.87 1j4h s GLN 3 Cb -0.15 -2.82 0.04 0.00 1.00 0.00 0.00 33.01 31.08 1j4h s GLN 3 CO 0.03 0.70 -0.11 0.08 -2.12 0.00 0.00 175.29 173.88 1j4h s VAL 4 N -0.93 2.39 -0.21 1.09 1.01 -1.26 -1.28 120.40 121.21 1j4h s VAL 4 Ca 0.14 -1.27 0.02 0.00 0.00 0.00 0.00 61.98 60.87 1j4h s VAL 4 Cb -0.11 -2.25 0.04 0.00 0.00 0.00 0.00 36.38 34.05 1j4h s VAL 4 CO 0.04 0.18 -0.16 -1.61 0.00 0.00 0.00 175.10 173.54 1j4h s GLU 5 N 1.22 2.64 0.28 2.72 2.02 -0.09 -4.95 118.70 122.55 1j4h s GLU 5 Ca -0.03 -1.04 -0.30 0.00 0.02 0.00 0.00 54.97 53.63 1j4h s GLU 5 Cb -0.17 -2.69 -0.11 0.00 0.10 0.00 0.00 34.13 31.26 1j4h s GLU 5 CO -0.07 -0.36 1.47 0.99 0.02 0.00 0.00 175.26 177.31 1j4h s THR 6 N 1.22 2.45 -0.26 3.63 2.01 -1.26 -0.26 115.64 123.16 1j4h s THR 6 Ca -0.01 0.39 -0.15 0.00 0.31 0.00 0.00 61.69 62.23 1j4h s THR 6 Cb -0.16 -3.25 -0.13 0.00 0.01 0.00 0.00 72.50 68.98 1j4h s THR 6 CO -0.10 0.07 -0.27 -0.38 -0.69 0.00 0.00 174.62 173.25 1j4h n ILE 7 N 1.96 1.53 -3.79 1.82 5.41 0.10 -4.84 119.36 121.55 1j4h n ILE 7 Ca 0.06 -0.30 -0.13 0.00 1.00 0.00 0.00 62.75 63.38 1j4h n ILE 7 Cb 0.40 -1.94 -0.14 0.00 -0.71 0.00 0.00 39.64 37.25 1j4h n ILE 7 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1j4h s SER 8 N -7.30 -0.11 0.61 4.38 1.04 -0.75 -4.99 113.70 106.57 1j4h s SER 8 Ca -0.37 0.26 -0.18 0.00 0.48 0.00 0.00 55.95 56.15 1j4h s SER 8 Cb 0.13 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 1j4h s SER 8 CO 0.50 -0.10 1.15 -2.16 0.98 0.00 0.00 173.24 173.61 1j4h s PRO 9 N 0.65 2.99 0.00 4.02 0.04 -1.26 -0.13 135.00 141.31 1j4h s PRO 9 Ca -0.05 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1j4h s PRO 9 Cb -0.07 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1j4h s PRO 9 CO -0.03 -1.14 0.00 0.41 0.04 0.00 0.00 177.00 176.28 1j4h n GLY 10 N 0.09 0.98 0.06 0.56 0.00 -1.26 -4.17 105.19 101.45 1j4h n GLY 10 Ca 0.12 -1.90 0.14 0.00 0.00 0.00 0.00 46.02 44.38 1j4h n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j4h n ASP 11 N -0.17 0.31 -0.20 1.61 3.85 -0.19 -4.79 116.55 116.97 1j4h n ASP 11 Ca 0.00 -0.24 -0.03 0.00 -0.71 0.00 0.00 54.79 53.82 1j4h n ASP 11 Cb 0.00 -0.15 -0.01 0.00 -1.35 0.00 0.00 41.12 39.61 1j4h n ASP 11 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1j4h n GLY 12 N 1.36 0.42 0.00 6.12 0.00 -1.26 -4.72 105.19 107.11 1j4h n GLY 12 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1j4h n GLY 12 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1j4h n ARG 13 N -0.84 5.68 -3.50 1.61 1.85 -1.26 -5.01 116.66 115.18 1j4h n ARG 13 Ca -0.03 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.40 1j4h n ARG 13 Cb 0.35 -0.50 -0.08 0.00 -1.05 0.00 0.00 32.46 31.17 1j4h n ARG 13 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1j4h s THR 14 N -0.06 4.51 -0.01 8.89 2.01 -1.26 -5.04 115.64 124.68 1j4h s THR 14 Ca 0.00 -1.56 0.03 0.00 0.31 0.00 0.00 61.69 60.47 1j4h s THR 14 Cb 0.00 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 1j4h s THR 14 CO 0.00 -0.70 -0.07 -0.36 -0.69 0.00 0.00 174.62 172.79 1j4h s PHE 15 N 1.45 2.88 0.47 4.92 0.08 -1.26 -1.28 117.98 125.24 1j4h s PHE 15 Ca 0.04 -0.04 -0.24 0.00 0.12 0.00 0.00 56.93 56.81 1j4h s PHE 15 Cb -0.26 -1.62 -0.07 0.00 -0.57 0.00 0.00 43.02 40.50 1j4h s PHE 15 CO 0.01 0.36 1.37 -2.14 -0.10 0.00 0.00 175.22 174.72 1j4h s PRO 16 N -1.30 3.58 0.13 0.24 0.02 -1.26 -5.02 135.00 131.39 1j4h s PRO 16 Ca 0.16 2.27 0.08 0.00 0.02 0.00 0.00 61.00 63.53 1j4h s PRO 16 Cb -0.11 -2.54 -0.04 0.00 0.02 0.00 0.00 34.50 31.83 1j4h s PRO 16 CO 0.06 -0.85 -0.12 0.15 -0.33 0.00 0.00 177.00 175.91 1j4h s LYS 17 N -2.56 2.01 0.31 5.54 1.02 -1.26 -4.91 119.74 119.89 1j4h s LYS 17 Ca 0.63 -1.13 -0.29 0.00 0.02 0.00 0.00 55.97 55.20 1j4h s LYS 17 Cb -0.41 -2.21 -0.11 0.00 -0.52 0.00 0.00 37.83 34.58 1j4h s LYS 17 CO 0.51 0.48 1.56 1.03 -0.92 0.00 0.00 175.35 178.01 1j4h s ARG 18 N -2.35 4.12 0.00 1.68 0.52 -1.26 -1.36 118.95 120.30 1j4h s ARG 18 Ca 0.21 2.57 0.00 0.00 -0.52 0.00 0.00 55.73 57.99 1j4h s ARG 18 Cb -0.10 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.36 1j4h s ARG 18 CO 0.13 -0.60 0.00 0.41 0.02 0.00 0.00 175.30 175.26 1j4h n GLY 19 N 1.71 0.43 3.93 -3.53 0.00 0.39 -5.01 105.19 103.11 1j4h n GLY 19 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1j4h n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j4h s GLN 20 N -0.93 3.53 -0.28 1.61 -0.21 -0.47 -4.86 119.66 118.05 1j4h s GLN 20 Ca 0.00 -0.30 -0.15 0.00 0.02 0.00 0.00 55.36 54.94 1j4h s GLN 20 Cb 0.00 -2.78 -0.03 0.00 1.00 0.00 0.00 33.01 31.20 1j4h s GLN 20 CO 0.00 0.33 0.35 0.99 -2.12 0.00 0.00 175.29 174.84 1j4h s THR 21 N -1.98 5.19 0.00 -0.19 2.01 -0.37 -1.41 115.64 118.89 1j4h s THR 21 Ca 0.39 0.43 -0.22 0.00 0.31 0.00 0.00 61.69 62.60 1j4h s THR 21 Cb -0.11 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 1j4h s THR 21 CO 0.30 0.12 0.65 0.00 -0.69 0.00 0.00 174.62 175.00 1j4h s VAL 23 N -0.07 3.38 0.21 0.00 1.01 -0.34 -1.90 120.40 122.69 1j4h s VAL 23 Ca 0.34 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 1j4h s VAL 23 Cb -0.19 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1j4h s VAL 23 CO 0.19 0.44 0.13 0.68 0.00 0.00 0.00 175.10 176.54 1j4h s VAL 24 N 1.20 0.07 -0.04 2.92 -7.23 0.00 -0.23 120.40 117.09 1j4h s VAL 24 Ca 0.02 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.24 1j4h s VAL 24 Cb -0.14 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 1j4h s VAL 24 CO -0.01 0.00 -0.19 -1.00 -0.31 0.00 0.00 175.10 173.58 1j4h s HIS 25 N -4.09 1.87 0.08 2.82 3.76 -0.95 -0.43 115.29 118.35 1j4h s HIS 25 Ca 0.39 -0.51 -0.09 0.00 -0.15 0.00 0.00 55.06 54.69 1j4h s HIS 25 Cb 0.07 -1.24 0.00 0.00 1.11 0.00 0.00 32.58 32.52 1j4h s HIS 25 CO 0.13 -0.16 0.21 1.52 -0.85 0.00 0.00 174.74 175.59 1j4h s TYR 26 N -0.08 0.10 -0.02 1.40 -0.85 -1.26 -1.17 117.35 115.47 1j4h s TYR 26 Ca -0.02 -0.46 0.04 0.00 -0.52 0.00 0.00 57.07 56.11 1j4h s TYR 26 Cb -0.11 -0.03 -0.01 0.00 0.38 0.00 0.00 41.96 42.19 1j4h s TYR 26 CO 0.02 -0.52 -0.13 0.99 -1.52 0.00 0.00 175.55 174.38 1j4h s THR 27 N -3.48 1.09 0.01 -3.49 2.01 -0.48 -1.31 115.64 109.99 1j4h s THR 27 Ca 0.02 -0.56 0.06 0.00 0.31 0.00 0.00 61.69 61.52 1j4h s THR 27 Cb 0.03 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.59 1j4h s THR 27 CO -0.09 0.31 -0.18 -0.83 -0.69 0.00 0.00 174.62 173.15 1j4h s GLY 28 N -0.14 1.53 -0.00 4.40 0.00 -0.27 -1.35 107.32 111.49 1j4h s GLY 28 Ca 0.02 -1.14 -0.03 0.00 0.00 0.00 0.00 44.72 43.57 1j4h s GLY 28 CO 0.00 -1.00 0.06 1.06 0.00 0.00 0.00 173.10 173.22 1j4h s MET 29 N -1.20 0.29 0.22 2.90 -1.94 0.07 -0.40 119.30 119.24 1j4h s MET 29 Ca 0.13 -0.31 -0.02 0.00 -1.71 0.00 0.00 55.69 53.79 1j4h s MET 29 Cb -0.10 0.11 0.05 0.00 2.01 0.00 0.00 34.83 36.90 1j4h s MET 29 CO 0.04 -0.06 0.30 1.28 -0.01 0.00 0.00 175.02 176.57 1j4h n LEU 30 N 2.04 0.00 0.32 -0.03 4.77 -1.24 -1.34 117.00 121.52 1j4h n LEU 30 Ca -0.20 -0.48 0.19 0.00 -0.03 0.00 0.00 56.01 55.49 1j4h n LEU 30 Cb 0.57 -0.21 1.08 0.00 -2.33 0.00 0.00 43.42 42.52 1j4h n LEU 30 CO 0.22 -0.68 1.16 1.05 -1.33 0.00 0.00 177.39 177.80 1j4h h GLU 31 N 0.00 0.00 0.00 3.23 -0.00 -1.95 -1.42 114.58 114.44 1j4h h GLU 31 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.26 1j4h h GLU 31 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.07 1j4h h GLU 31 CO 0.09 0.00 0.00 -0.40 -0.00 0.00 0.00 179.01 178.70 1j4h n ASP 32 N -3.43 0.00 0.00 3.06 3.85 -1.26 -4.88 116.55 113.89 1j4h n ASP 32 Ca -0.03 0.26 0.00 0.00 -0.71 0.00 0.00 54.79 54.31 1j4h n ASP 32 Cb 0.09 -0.40 0.00 0.00 -1.35 0.00 0.00 41.12 39.46 1j4h n ASP 32 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1j4h n GLY 33 N 0.60 1.20 3.74 6.12 0.00 -0.53 -5.04 105.19 111.28 1j4h n GLY 33 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1j4h n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4h s LYS 34 N -0.41 4.64 0.05 1.61 1.02 -1.26 -4.86 119.74 120.54 1j4h s LYS 34 Ca 0.00 1.69 -0.31 0.00 0.02 0.00 0.00 55.97 57.37 1j4h s LYS 34 Cb 0.00 -3.27 -0.07 0.00 -0.52 0.00 0.00 37.83 33.97 1j4h s LYS 34 CO 0.00 0.17 1.44 0.21 -0.92 0.00 0.00 175.35 176.25 1j4h s LYS 35 N -0.66 4.28 -0.01 1.68 2.20 -1.26 -3.66 119.74 122.31 1j4h s LYS 35 Ca 0.47 2.06 0.09 0.00 -0.36 0.00 0.00 55.97 58.23 1j4h s LYS 35 Cb -0.29 -3.46 -0.12 0.00 -1.51 0.00 0.00 37.83 32.45 1j4h s LYS 35 CO 0.35 -0.55 0.27 1.97 -0.36 0.00 0.00 175.35 177.03 1j4h n PHE 36 N 4.91 0.00 -3.59 4.03 -1.74 0.47 -4.99 117.46 116.55 1j4h n PHE 36 Ca 0.13 0.00 -0.17 0.00 -0.56 0.00 0.00 57.45 56.85 1j4h n PHE 36 Cb 0.43 -0.10 -0.07 0.00 1.52 0.00 0.00 39.48 41.25 1j4h n PHE 36 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1j4h s ASP 37 N -2.43 -0.54 -0.27 5.98 3.68 -1.21 -4.99 116.67 116.89 1j4h s ASP 37 Ca -0.00 0.58 -0.09 0.00 2.13 0.00 0.00 52.55 55.16 1j4h s ASP 37 Cb 0.06 0.51 0.11 0.00 -1.45 0.00 0.00 42.92 42.15 1j4h s ASP 37 CO 0.36 -0.55 0.58 -0.55 0.13 0.00 0.00 175.17 175.13 1j4h s SER 38 N -1.17 -0.85 0.31 -0.34 0.15 -1.26 -1.11 113.70 109.42 1j4h s SER 38 Ca -0.11 1.38 0.14 0.00 0.70 0.00 0.00 55.95 58.06 1j4h s SER 38 Cb -0.01 1.94 0.44 0.00 -1.71 0.00 0.00 66.02 66.67 1j4h s SER 38 CO 0.08 -0.22 1.63 0.77 1.20 0.00 0.00 173.24 176.70 1j4h h SER 39 N 7.99 0.00 -0.73 5.45 4.64 -1.51 -3.05 113.55 126.34 1j4h h SER 39 Ca -0.18 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.11 1j4h h SER 39 Cb 1.11 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.17 1j4h h SER 39 CO 0.11 0.53 0.35 0.03 -0.87 0.00 0.00 176.83 176.98 1j4h h ARG 40 N 0.00 1.06 0.00 4.77 3.08 -1.85 -2.31 114.38 119.14 1j4h h ARG 40 Ca -0.01 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1j4h h ARG 40 Cb 1.08 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.93 1j4h h ARG 40 CO 0.07 0.83 -0.05 -0.44 -1.07 0.00 0.00 179.97 179.31 1j4h h ASP 41 N 1.06 0.00 0.17 7.04 3.45 -1.89 -1.42 116.42 124.83 1j4h h ASP 41 Ca 0.26 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.72 1j4h h ASP 41 Cb 0.12 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.89 1j4h h ASP 41 CO -0.03 0.05 -0.34 0.54 -1.57 0.00 0.00 179.24 177.89 1j4h n ARG 42 N -3.19 0.90 -4.02 3.56 1.74 -1.00 -4.96 116.66 109.70 1j4h n ARG 42 Ca 0.00 -0.61 -0.31 0.00 -0.77 0.00 0.00 57.85 56.16 1j4h n ARG 42 Cb 0.31 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 1j4h n ARG 42 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1j4h n ASN 43 N -0.51 -3.30 -3.46 0.55 3.02 -0.54 -4.96 115.26 106.06 1j4h n ASN 43 Ca 0.11 -0.90 -0.11 0.00 -0.03 0.00 0.00 54.58 53.65 1j4h n ASN 43 Cb 0.38 -3.37 -0.10 0.00 -0.61 0.00 0.00 39.78 36.09 1j4h n ASN 43 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1j4h s LYS 44 N -6.67 0.29 0.64 3.52 2.20 -1.14 -5.07 119.74 113.52 1j4h s LYS 44 Ca 0.54 0.56 -0.18 0.00 -0.36 0.00 0.00 55.97 56.53 1j4h s LYS 44 Cb -0.28 -0.47 -0.01 0.00 -1.51 0.00 0.00 37.83 35.55 1j4h s LYS 44 CO 0.87 -0.55 1.26 -2.30 -0.36 0.00 0.00 175.35 174.27 1j4h n PRO 45 N 5.36 1.10 -3.52 4.03 -0.02 -1.26 -4.72 135.00 135.96 1j4h n PRO 45 Ca -0.05 0.43 -0.37 0.00 -2.02 0.00 0.00 63.50 61.49 1j4h n PRO 45 Cb 0.50 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 1j4h n PRO 45 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1j4h s PHE 46 N -1.40 3.68 0.03 6.00 5.99 0.43 -4.88 117.98 127.83 1j4h s PHE 46 Ca 0.82 0.93 0.08 0.00 0.00 0.00 0.00 56.93 58.76 1j4h s PHE 46 Cb -0.38 -2.25 -0.02 0.00 0.00 0.00 0.00 43.02 40.36 1j4h s PHE 46 CO 0.41 0.60 -0.23 0.15 -0.00 0.00 0.00 175.22 176.16 1j4h s LYS 47 N -1.35 1.61 -0.04 10.12 1.02 -1.26 -0.82 119.74 129.03 1j4h s LYS 47 Ca 0.27 -0.94 -0.17 0.00 0.02 0.00 0.00 55.97 55.14 1j4h s LYS 47 Cb -0.16 -1.69 0.03 0.00 -0.52 0.00 0.00 37.83 35.49 1j4h s LYS 47 CO 0.15 0.44 0.37 -0.59 -0.92 0.00 0.00 175.35 174.80 1j4h s PHE 48 N -0.72 -0.28 -0.28 3.18 -0.12 -0.80 -4.98 117.98 113.98 1j4h s PHE 48 Ca 0.09 0.49 -0.19 0.00 -0.05 0.00 0.00 56.93 57.27 1j4h s PHE 48 Cb -0.09 0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.43 1j4h s PHE 48 CO 0.01 -0.40 0.57 1.41 -0.05 0.00 0.00 175.22 176.76 1j4h s MET 49 N -1.10 3.98 0.14 1.99 -2.45 -1.26 -0.07 119.30 120.52 1j4h s MET 49 Ca -0.11 0.30 -0.31 0.00 -1.25 0.00 0.00 55.69 54.31 1j4h s MET 49 Cb -0.04 -3.69 -0.10 0.00 1.25 0.00 0.00 34.83 32.25 1j4h s MET 49 CO 0.05 -0.46 1.66 -1.17 1.05 0.00 0.00 175.02 176.15 1j4h s LEU 50 N 2.44 4.37 0.00 4.11 0.20 -0.50 -2.67 118.68 126.63 1j4h s LEU 50 Ca 0.23 2.65 0.00 0.00 0.69 0.00 0.00 54.13 57.70 1j4h s LEU 50 Cb -0.15 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 42.02 1j4h s LEU 50 CO 0.10 -0.90 0.00 0.61 -0.29 0.00 0.00 176.35 175.88 1j4h n GLY 51 N 3.93 1.50 0.15 7.98 0.00 -1.26 -0.46 105.19 117.04 1j4h n GLY 51 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.32 1j4h n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1j4h n LYS 52 N -1.65 0.86 -3.83 1.61 4.81 -1.09 -4.93 118.16 113.93 1j4h n LYS 52 Ca 0.00 -0.31 -0.28 0.00 -0.87 0.00 0.00 58.31 56.85 1j4h n LYS 52 Cb 0.00 -1.49 0.04 0.00 0.02 0.00 0.00 35.03 33.59 1j4h n LYS 52 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1j4h n GLN 53 N -0.80 -6.03 -0.34 1.64 6.02 -1.26 -4.87 117.38 111.73 1j4h n GLN 53 Ca 0.16 0.65 0.12 0.00 -0.01 0.00 0.00 57.00 57.92 1j4h n GLN 53 Cb 0.27 -5.56 0.31 0.00 1.02 0.00 0.00 30.24 26.27 1j4h n GLN 53 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1j4h n GLU 54 N -4.73 2.68 -4.17 -1.09 0.28 -1.26 -4.89 120.64 107.46 1j4h n GLU 54 Ca 0.01 -2.61 -0.11 0.00 -0.16 0.00 0.00 57.16 54.30 1j4h n GLU 54 Cb 0.54 -1.57 -0.10 0.00 1.43 0.00 0.00 31.44 31.75 1j4h n GLU 54 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1j4h s VAL 55 N -1.10 0.49 0.88 3.84 -7.23 -1.26 -5.06 120.40 110.96 1j4h s VAL 55 Ca 0.48 -1.92 -0.10 0.00 -1.81 0.00 0.00 61.98 58.62 1j4h s VAL 55 Cb 0.25 -1.85 0.12 0.00 0.56 0.00 0.00 36.38 35.47 1j4h s VAL 55 CO 0.33 -0.71 1.13 0.27 -0.31 0.00 0.00 175.10 175.82 1j4h s ILE 56 N -3.77 2.41 0.25 -0.62 -4.36 -1.26 -4.70 121.20 109.15 1j4h s ILE 56 Ca 0.17 0.13 -0.04 0.00 -0.26 0.00 0.00 60.65 60.65 1j4h s ILE 56 Cb 0.06 -2.29 0.21 0.00 1.25 0.00 0.00 42.46 41.70 1j4h s ILE 56 CO -0.02 -0.17 1.80 -0.09 0.24 0.00 0.00 174.94 176.70 1j4h h ARG 57 N -1.68 0.74 -0.69 0.37 2.43 -1.84 -1.22 114.38 112.49 1j4h h ARG 57 Ca -0.44 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 58.78 1j4h h ARG 57 Cb 1.26 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 1j4h h ARG 57 CO 0.44 0.49 0.46 0.78 -1.51 0.00 0.00 179.97 180.64 1j4h h GLY 58 N 0.77 0.83 1.10 2.80 0.00 -0.83 -1.07 103.07 106.66 1j4h h GLY 58 Ca 0.40 -0.25 -0.24 0.00 0.00 0.00 0.00 47.33 47.24 1j4h h GLY 58 CO -0.26 0.16 -0.93 1.49 0.00 0.00 0.00 176.54 177.00 1j4h h TRP 59 N 0.61 0.94 -0.57 5.60 4.06 -1.50 0.57 115.95 125.65 1j4h h TRP 59 Ca 0.31 -0.51 -0.03 0.00 2.06 0.00 0.00 58.89 60.73 1j4h h TRP 59 Cb 0.43 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 28.46 1j4h h TRP 59 CO -0.00 1.34 0.25 0.93 -3.56 0.00 0.00 178.44 177.40 1j4h h GLU 60 N 0.27 0.83 0.04 0.49 5.08 -0.87 -1.18 114.58 119.24 1j4h h GLU 60 Ca -0.12 -0.14 -0.22 0.00 -1.00 0.00 0.00 59.36 57.89 1j4h h GLU 60 Cb 1.60 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 1j4h h GLU 60 CO 0.18 0.70 -1.01 0.93 -1.00 0.00 0.00 179.01 178.81 1j4h h GLU 61 N 0.78 0.16 -0.00 2.33 5.08 -1.28 -2.66 114.58 118.99 1j4h h GLU 61 Ca 0.19 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1j4h h GLU 61 Cb 0.16 0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.49 1j4h h GLU 61 CO -0.02 1.04 -0.38 0.78 -1.00 0.00 0.00 179.01 179.43 1j4h h GLY 62 N 2.11 0.29 1.61 -3.84 0.00 -0.74 -3.16 103.07 99.33 1j4h h GLY 62 Ca -0.06 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 1j4h h GLY 62 CO 0.15 0.45 -0.16 -2.08 0.00 0.00 0.00 176.54 174.90 1j4h h VAL 63 N -0.36 1.24 -0.15 4.60 2.07 -1.34 -2.41 116.25 119.90 1j4h h VAL 63 Ca -0.05 -1.07 0.04 0.00 0.82 0.00 0.00 66.70 66.44 1j4h h VAL 63 Cb 1.12 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1j4h h VAL 63 CO 0.08 0.35 0.13 0.00 0.02 0.00 0.00 177.57 178.14 1j4h h ALA 64 N 1.40 1.94 -0.00 1.67 0.00 -1.48 -0.01 119.26 122.78 1j4h h ALA 64 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1j4h h ALA 64 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1j4h h ALA 64 CO 0.03 -0.20 -0.20 1.04 0.00 0.00 0.00 179.25 179.93 1j4h n GLN 65 N -4.16 0.24 -3.27 0.00 6.02 -0.91 -4.37 117.38 110.92 1j4h n GLN 65 Ca 0.01 -0.08 -0.28 0.00 -0.01 0.00 0.00 57.00 56.63 1j4h n GLN 65 Cb 0.25 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.98 1j4h n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1j4h s MET 66 N -2.82 3.61 0.19 -1.09 -1.94 -0.02 -5.07 119.30 112.17 1j4h s MET 66 Ca 0.18 -0.00 0.06 0.00 -1.71 0.00 0.00 55.69 54.22 1j4h s MET 66 Cb 0.19 -2.62 -0.04 0.00 2.01 0.00 0.00 34.83 34.37 1j4h s MET 66 CO 0.56 0.16 0.13 -1.54 -0.01 0.00 0.00 175.02 174.32 1j4h s SER 67 N -3.34 5.37 0.18 3.03 1.04 -1.26 -4.18 113.70 114.53 1j4h s SER 67 Ca 0.44 -0.22 -0.33 0.00 0.48 0.00 0.00 55.95 56.31 1j4h s SER 67 Cb -0.10 -1.34 -0.14 0.00 0.10 0.00 0.00 66.02 64.54 1j4h s SER 67 CO 0.32 0.04 1.58 0.52 0.98 0.00 0.00 173.24 176.68 1j4h n VAL 68 N -0.56 0.09 0.00 5.02 0.31 -0.41 -0.90 118.33 121.88 1j4h n VAL 68 Ca -0.08 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1j4h n VAL 68 Cb 0.56 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 1j4h n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j4h n GLY 69 N 3.37 2.14 3.77 2.92 0.00 0.17 -1.02 105.19 116.54 1j4h n GLY 69 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1j4h n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1j4h s GLN 70 N -0.90 4.42 -0.09 1.61 0.74 -0.08 -4.19 119.66 121.17 1j4h s GLN 70 Ca 0.00 1.79 0.03 0.00 0.05 0.00 0.00 55.36 57.23 1j4h s GLN 70 Cb 0.00 -2.96 0.01 0.00 1.10 0.00 0.00 33.01 31.16 1j4h s GLN 70 CO 0.00 0.01 -0.18 0.50 -0.55 0.00 0.00 175.29 175.07 1j4h s ARG 71 N -1.83 2.44 0.07 1.67 3.52 0.82 -0.85 118.95 124.79 1j4h s ARG 71 Ca 0.50 -0.66 -0.06 0.00 -0.13 0.00 0.00 55.73 55.37 1j4h s ARG 71 Cb -0.31 -1.94 -0.01 0.00 -1.56 0.00 0.00 34.95 31.13 1j4h s ARG 71 CO 0.39 0.06 0.12 0.00 -0.81 0.00 0.00 175.30 175.06 1j4h s ALA 72 N 0.62 0.00 -0.20 6.12 0.00 -0.03 0.01 121.76 128.27 1j4h s ALA 72 Ca -0.14 -0.78 -0.19 0.00 0.00 0.00 0.00 51.96 50.85 1j4h s ALA 72 Cb -0.16 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 1j4h s ALA 72 CO 0.04 -0.45 0.55 0.21 0.00 0.00 0.00 175.76 176.12 1j4h s LYS 73 N -3.72 4.19 -0.26 0.00 2.20 0.64 -0.94 119.74 121.84 1j4h s LYS 73 Ca 0.04 0.47 -0.09 0.00 -0.36 0.00 0.00 55.97 56.04 1j4h s LYS 73 Cb 0.05 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 1j4h s LYS 73 CO -0.10 -0.19 0.11 -0.51 -0.36 0.00 0.00 175.35 174.30 1j4h s LEU 74 N 1.78 3.67 -0.23 5.43 1.02 0.25 -0.91 118.68 129.68 1j4h s LEU 74 Ca 0.25 -0.12 -0.04 0.00 0.02 0.00 0.00 54.13 54.24 1j4h s LEU 74 Cb -0.16 -1.99 -0.01 0.00 0.02 0.00 0.00 46.19 44.05 1j4h s LEU 74 CO 0.10 -0.03 -0.02 -0.89 0.02 0.00 0.00 176.35 175.53 1j4h s THR 75 N 1.58 3.54 -0.16 5.49 2.01 -0.41 -0.46 115.64 127.23 1j4h s THR 75 Ca 0.06 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.61 1j4h s THR 75 Cb -0.15 -2.64 0.02 0.00 0.01 0.00 0.00 72.50 69.74 1j4h s THR 75 CO 0.06 0.38 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.54 1j4h s ILE 76 N 1.50 2.02 0.84 1.82 1.01 0.84 -1.20 121.20 128.02 1j4h s ILE 76 Ca 0.06 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 59.67 1j4h s ILE 76 Cb -0.15 -1.81 0.10 0.00 0.01 0.00 0.00 42.46 40.61 1j4h s ILE 76 CO -0.02 0.54 1.10 -0.94 0.00 0.00 0.00 174.94 175.62 1j4h s SER 77 N 1.15 3.86 0.38 3.58 1.04 -0.79 -0.59 113.70 122.32 1j4h s SER 77 Ca 0.01 1.86 0.09 0.00 0.48 0.00 0.00 55.95 58.38 1j4h s SER 77 Cb -0.14 -2.47 0.84 0.00 0.10 0.00 0.00 66.02 64.35 1j4h s SER 77 CO -0.09 -2.45 1.96 -0.65 0.98 0.00 0.00 173.24 172.98 1j4h h PRO 78 N -1.42 0.62 0.00 4.02 0.11 -1.88 -1.04 132.00 132.41 1j4h h PRO 78 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1j4h h PRO 78 Cb 1.25 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1j4h h PRO 78 CO 0.49 0.41 0.00 0.38 -0.21 0.00 0.00 178.00 179.07 1j4h h ASP 79 N 0.64 0.00 -0.66 -2.05 2.03 -1.91 0.13 116.42 114.59 1j4h h ASP 79 Ca 0.31 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.61 1j4h h ASP 79 Cb 0.38 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.88 1j4h h ASP 79 CO -0.10 0.00 0.00 -1.22 -1.03 0.00 0.00 179.24 176.89 1j4h n TYR 80 N -2.61 0.92 0.00 4.15 4.02 -0.41 -4.83 117.16 118.40 1j4h n TYR 80 Ca -0.00 -0.51 0.00 0.00 -0.01 0.00 0.00 57.90 57.38 1j4h n TYR 80 Cb 0.17 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 1j4h n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1j4h n ALA 81 N 1.40 0.00 0.39 -0.72 0.00 -0.28 -0.07 120.51 121.23 1j4h n ALA 81 Ca 0.22 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.75 1j4h n ALA 81 Cb 0.61 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.18 1j4h n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1j4h n TYR 82 N 0.00 0.23 -4.19 0.00 4.02 -1.13 -4.78 117.16 111.31 1j4h n TYR 82 Ca 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 1j4h n TYR 82 Cb 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1j4h n TYR 82 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1j4h n GLY 83 N 1.00 1.00 0.25 2.72 0.00 0.28 -0.61 105.19 109.83 1j4h n GLY 83 Ca 0.13 -0.61 0.17 0.00 0.00 0.00 0.00 46.02 45.70 1j4h n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j4h h ALA 84 N -0.84 1.00 0.18 4.61 0.00 -1.94 -0.76 119.26 121.51 1j4h h ALA 84 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1j4h h ALA 84 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.82 1j4h h ALA 84 CO 0.00 0.00 -1.17 1.15 0.00 0.00 0.00 179.25 179.23 1j4h h THR 85 N 0.00 1.36 -0.51 0.00 2.02 -1.80 -3.40 112.91 110.58 1j4h h THR 85 Ca 0.00 -2.56 0.03 0.00 0.77 0.00 0.00 66.41 64.66 1j4h h THR 85 Cb 0.39 3.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.79 1j4h h THR 85 CO 0.00 0.76 -0.05 0.61 0.37 0.00 0.00 175.52 177.21 1j4h n GLY 86 N 1.59 -2.01 2.99 2.16 0.00 0.22 -4.39 105.19 105.75 1j4h n GLY 86 Ca -0.15 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 1j4h n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1j4h s HIS 87 N -0.53 3.50 0.13 1.61 5.04 0.17 -4.89 115.29 120.31 1j4h s HIS 87 Ca 0.00 -3.06 -0.34 0.00 -1.54 0.00 0.00 55.06 50.12 1j4h s HIS 87 Cb 0.00 -2.86 -0.16 0.00 0.04 0.00 0.00 32.58 29.59 1j4h s HIS 87 CO 0.00 -0.86 1.18 -2.30 -2.34 0.00 0.00 174.74 170.41 1j4h n PRO 88 N 3.79 0.99 0.00 2.88 -0.02 -1.26 -1.52 135.00 139.87 1j4h n PRO 88 Ca 0.04 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1j4h n PRO 88 Cb 0.38 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1j4h n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j4h n GLY 89 N 2.10 0.99 0.00 -1.23 0.00 -1.26 -4.82 105.19 100.97 1j4h n GLY 89 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1j4h n GLY 89 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1j4h n ILE 90 N -1.69 0.00 -4.11 -0.61 3.06 -0.74 -5.12 119.36 110.15 1j4h n ILE 90 Ca 0.00 0.00 -0.29 0.00 -2.50 0.00 0.00 62.75 59.96 1j4h n ILE 90 Cb 0.00 0.00 -0.17 0.00 0.54 0.00 0.00 39.64 40.01 1j4h n ILE 90 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1j4h s ILE 91 N -1.00 1.45 0.88 9.51 1.01 -0.57 -4.99 121.20 127.49 1j4h s ILE 91 Ca 0.00 -0.57 -0.14 0.00 0.00 0.00 0.00 60.65 59.94 1j4h s ILE 91 Cb 0.00 -1.37 0.13 0.00 0.01 0.00 0.00 42.46 41.24 1j4h s ILE 91 CO 0.00 0.44 1.24 -2.16 0.00 0.00 0.00 174.94 174.46 1j4h s PRO 92 N 1.40 1.38 0.65 2.79 0.04 -1.26 -0.66 135.00 139.34 1j4h s PRO 92 Ca 0.02 -0.13 -0.18 0.00 0.04 0.00 0.00 61.00 60.75 1j4h s PRO 92 Cb -0.13 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 1j4h s PRO 92 CO -0.08 -1.95 1.29 -2.14 0.04 0.00 0.00 177.00 174.15 1j4h s PRO 93 N -5.71 2.52 -1.51 0.56 0.02 -1.26 -3.58 135.00 126.04 1j4h s PRO 93 Ca 0.67 2.04 -0.02 0.00 0.02 0.00 0.00 61.00 63.71 1j4h s PRO 93 Cb -0.08 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.60 1j4h s PRO 93 CO 0.51 -1.61 0.32 0.72 -0.33 0.00 0.00 177.00 176.61 1j4h n HIS 94 N -1.96 -1.42 -3.34 6.54 8.25 -0.30 -4.94 115.22 118.04 1j4h n HIS 94 Ca 0.16 0.28 -0.39 0.00 -0.26 0.00 0.00 57.72 57.50 1j4h n HIS 94 Cb 0.48 -4.01 -0.08 0.00 1.12 0.00 0.00 29.99 27.50 1j4h n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j4h s ALA 95 N -3.05 3.57 0.16 -1.41 0.00 -1.23 -4.82 121.76 114.97 1j4h s ALA 95 Ca 0.16 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 51.10 1j4h s ALA 95 Cb -0.07 -2.76 -0.07 0.00 0.00 0.00 0.00 23.12 20.22 1j4h s ALA 95 CO 0.20 -0.64 1.13 0.99 0.00 0.00 0.00 175.76 177.44 1j4h s THR 96 N 2.06 3.84 -0.03 0.00 2.01 -1.26 -3.85 115.64 118.40 1j4h s THR 96 Ca 0.17 1.54 0.04 0.00 0.31 0.00 0.00 61.69 63.75 1j4h s THR 96 Cb -0.16 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 1j4h s THR 96 CO 0.09 0.24 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.36 1j4h s LEU 97 N -0.12 2.73 -0.13 4.42 1.43 0.24 -3.82 118.68 123.42 1j4h s LEU 97 Ca 0.51 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1j4h s LEU 97 Cb -0.30 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.37 1j4h s LEU 97 CO 0.34 0.33 -0.19 -0.69 0.23 0.00 0.00 176.35 176.37 1j4h s VAL 98 N -0.77 1.83 0.01 -1.59 1.01 -0.45 -0.11 120.40 120.33 1j4h s VAL 98 Ca 0.12 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.33 1j4h s VAL 98 Cb -0.11 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 1j4h s VAL 98 CO 0.02 0.51 -0.21 -0.36 0.00 0.00 0.00 175.10 175.05 1j4h s PHE 99 N 0.90 1.86 -0.34 5.22 0.40 0.39 -0.75 117.98 125.65 1j4h s PHE 99 Ca -0.07 -0.36 -0.13 0.00 -0.60 0.00 0.00 56.93 55.77 1j4h s PHE 99 Cb -0.15 -1.15 -0.02 0.00 0.51 0.00 0.00 43.02 42.21 1j4h s PHE 99 CO -0.02 0.03 0.27 0.34 0.70 0.00 0.00 175.22 176.54 1j4h s ASP 100 N -0.80 6.09 -0.02 1.36 -1.08 -0.46 0.86 116.67 122.62 1j4h s ASP 100 Ca 0.08 -0.35 0.04 0.00 -0.52 0.00 0.00 52.55 51.80 1j4h s ASP 100 Cb -0.08 -2.15 -0.01 0.00 -1.46 0.00 0.00 42.92 39.22 1j4h s ASP 100 CO 0.00 -0.26 -0.14 -0.69 0.52 0.00 0.00 175.17 174.61 1j4h s VAL 101 N 1.81 1.14 -0.12 1.11 1.01 -0.12 -1.38 120.40 123.85 1j4h s VAL 101 Ca 0.08 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1j4h s VAL 101 Cb -0.17 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.25 1j4h s VAL 101 CO 0.11 0.33 -0.20 -0.70 0.00 0.00 0.00 175.10 174.64 1j4h s GLU 102 N -0.09 2.72 -0.53 2.72 2.12 -0.31 -0.85 118.70 124.47 1j4h s GLU 102 Ca 0.01 -0.75 -0.24 0.00 0.36 0.00 0.00 54.97 54.35 1j4h s GLU 102 Cb -0.08 -2.20 0.04 0.00 0.26 0.00 0.00 34.13 32.15 1j4h s GLU 102 CO 0.00 0.00 0.89 -1.17 -0.54 0.00 0.00 175.26 174.45 1j4h s LEU 103 N 0.79 4.20 -0.05 2.70 2.96 -0.03 -2.23 118.68 127.02 1j4h s LEU 103 Ca -0.09 -0.36 -0.09 0.00 -0.22 0.00 0.00 54.13 53.37 1j4h s LEU 103 Cb -0.16 -2.82 -0.30 0.00 0.50 0.00 0.00 46.19 43.41 1j4h s LEU 103 CO 0.00 -1.15 0.64 -0.07 -1.32 0.00 0.00 176.35 174.45 1j4h h LEU 104 N 10.73 0.56 -7.00 -0.68 3.38 -0.92 0.52 115.31 121.89 1j4h h LEU 104 Ca -0.26 -0.88 0.08 0.00 0.09 0.00 0.00 57.88 56.91 1j4h h LEU 104 Cb 1.08 -0.18 -0.15 0.00 0.09 0.00 0.00 40.66 41.50 1j4h h LEU 104 CO 1.06 1.75 0.43 -0.75 0.09 0.00 0.00 178.44 181.02 1j4h s LYS 105 N -2.58 0.92 -0.04 1.13 2.20 -1.16 -4.66 119.74 115.56 1j4h s LYS 105 Ca -0.16 -0.33 0.07 0.00 -0.36 0.00 0.00 55.97 55.19 1j4h s LYS 105 Cb 0.06 0.42 -0.02 0.00 -1.51 0.00 0.00 37.83 36.79 1j4h s LYS 105 CO 0.84 -0.40 -0.25 -0.51 -0.36 0.00 0.00 175.35 174.67 1j4h s LEU 106 N -2.53 2.11 0.00 5.43 1.02 -1.26 -1.20 118.68 122.26 1j4h s LEU 106 Ca 0.04 -0.46 0.00 0.00 0.02 0.00 0.00 54.13 53.73 1j4h s LEU 106 Cb -0.01 -1.37 0.00 0.00 0.02 0.00 0.00 46.19 44.83 1j4h s LEU 106 CO -0.10 0.30 0.22 -0.62 0.02 0.00 0.00 176.35 176.16