#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4r s VAL 2 N 0.00 0.80 -0.13 1.61 0.11 -1.26 -1.03 120.40 120.50 1j4r s VAL 2 Ca 0.00 -0.22 -0.05 0.00 -2.93 0.00 0.00 61.98 58.78 1j4r s VAL 2 Cb 0.00 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 1j4r s VAL 2 CO 0.00 0.30 0.03 0.00 -3.33 0.00 0.00 175.10 172.10 1j4r s GLN 3 N 1.24 3.49 -0.21 1.54 -2.07 -0.35 -4.93 119.66 118.37 1j4r s GLN 3 Ca -0.05 -0.38 -0.04 0.00 -1.82 0.00 0.00 55.36 53.07 1j4r s GLN 3 Cb -0.14 -3.00 -0.01 0.00 -1.09 0.00 0.00 33.01 28.77 1j4r s GLN 3 CO -0.02 0.48 -0.03 0.08 -1.32 0.00 0.00 175.29 174.48 1j4r s VAL 4 N -0.26 3.56 -0.19 3.63 1.01 -1.26 -1.13 120.40 125.76 1j4r s VAL 4 Ca 0.07 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1j4r s VAL 4 Cb -0.12 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.68 1j4r s VAL 4 CO 0.02 0.43 -0.15 -1.61 0.00 0.00 0.00 175.10 173.78 1j4r s GLU 5 N 1.25 2.53 0.17 2.72 2.02 0.26 -4.96 118.70 122.69 1j4r s GLU 5 Ca 0.03 -0.88 -0.30 0.00 0.02 0.00 0.00 54.97 53.84 1j4r s GLU 5 Cb -0.14 -2.51 -0.09 0.00 0.10 0.00 0.00 34.13 31.49 1j4r s GLU 5 CO -0.01 -0.32 1.35 0.99 0.02 0.00 0.00 175.26 177.29 1j4r s THR 6 N 1.31 3.18 -0.27 3.63 2.01 -1.26 0.68 115.64 124.92 1j4r s THR 6 Ca 0.01 0.92 -0.09 0.00 0.31 0.00 0.00 61.69 62.85 1j4r s THR 6 Cb -0.15 -3.59 -0.13 0.00 0.01 0.00 0.00 72.50 68.64 1j4r s THR 6 CO -0.10 0.11 -0.31 -0.38 -0.69 0.00 0.00 174.62 173.25 1j4r n ILE 7 N 3.10 1.49 -3.83 1.82 5.41 0.24 -4.87 119.36 122.72 1j4r n ILE 7 Ca 0.08 -0.43 -0.13 0.00 1.00 0.00 0.00 62.75 63.27 1j4r n ILE 7 Cb 0.42 -1.73 -0.14 0.00 -0.71 0.00 0.00 39.64 37.48 1j4r n ILE 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1j4r s SER 8 N -7.17 -0.02 0.49 4.38 0.01 -0.60 -4.99 113.70 105.80 1j4r s SER 8 Ca -0.37 0.09 -0.22 0.00 1.31 0.00 0.00 55.95 56.76 1j4r s SER 8 Cb 0.13 0.06 -0.07 0.00 0.21 0.00 0.00 66.02 66.35 1j4r s SER 8 CO 0.51 -0.05 1.20 -2.16 0.41 0.00 0.00 173.24 173.15 1j4r s PRO 9 N 0.34 3.59 0.00 12.44 0.04 -1.26 -0.96 135.00 149.19 1j4r s PRO 9 Ca -0.03 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1j4r s PRO 9 Cb -0.04 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1j4r s PRO 9 CO -0.01 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 176.73 1j4r n GLY 10 N 0.47 1.08 0.04 0.56 0.00 -1.26 -4.15 105.19 101.93 1j4r n GLY 10 Ca 0.08 -1.94 0.13 0.00 0.00 0.00 0.00 46.02 44.29 1j4r n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j4r n ASP 11 N -0.86 0.25 -0.01 1.61 5.75 -0.30 -4.81 116.55 118.18 1j4r n ASP 11 Ca 0.00 0.53 -0.00 0.00 -0.01 0.00 0.00 54.79 55.31 1j4r n ASP 11 Cb 0.00 -0.60 -0.00 0.00 -1.03 0.00 0.00 41.12 39.49 1j4r n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j4r n GLY 12 N 1.17 0.27 0.00 6.12 0.00 -1.26 -4.76 105.19 106.73 1j4r n GLY 12 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1j4r n GLY 12 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1j4r n ARG 13 N -1.06 4.16 -3.57 1.61 1.85 -1.26 -4.99 116.66 113.41 1j4r n ARG 13 Ca -0.00 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.45 1j4r n ARG 13 Cb 0.25 -0.38 -0.06 0.00 -1.05 0.00 0.00 32.46 31.21 1j4r n ARG 13 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1j4r s THR 14 N -0.08 4.49 -0.01 8.89 2.01 -1.26 -5.06 115.64 124.62 1j4r s THR 14 Ca 0.00 -2.89 -0.03 0.00 0.31 0.00 0.00 61.69 59.09 1j4r s THR 14 Cb 0.00 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1j4r s THR 14 CO 0.00 -0.96 0.18 -0.36 -0.69 0.00 0.00 174.62 172.80 1j4r s PHE 15 N -0.13 3.55 0.27 4.92 0.08 -1.26 -1.57 117.98 123.83 1j4r s PHE 15 Ca 0.19 0.36 -0.31 0.00 0.12 0.00 0.00 56.93 57.29 1j4r s PHE 15 Cb -0.15 -1.83 -0.12 0.00 -0.57 0.00 0.00 43.02 40.35 1j4r s PHE 15 CO -0.06 0.65 1.64 -2.14 -0.10 0.00 0.00 175.22 175.21 1j4r s PRO 16 N -1.93 4.11 0.08 0.24 0.02 -1.26 -5.02 135.00 131.25 1j4r s PRO 16 Ca 0.27 2.60 0.06 0.00 0.02 0.00 0.00 61.00 63.95 1j4r s PRO 16 Cb -0.13 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 1j4r s PRO 16 CO 0.19 -0.68 -0.05 0.15 -0.33 0.00 0.00 177.00 176.27 1j4r s LYS 17 N -0.03 2.37 0.31 5.54 1.02 -1.26 -4.95 119.74 122.74 1j4r s LYS 17 Ca 0.67 -0.90 -0.29 0.00 0.02 0.00 0.00 55.97 55.47 1j4r s LYS 17 Cb -0.49 -2.43 -0.12 0.00 -0.52 0.00 0.00 37.83 34.27 1j4r s LYS 17 CO 0.44 0.54 1.36 -2.13 -0.92 0.00 0.00 175.35 174.63 1j4r n ARG 18 N 0.79 2.18 -0.00 1.68 0.00 -1.26 -1.48 116.66 118.57 1j4r n ARG 18 Ca -0.13 0.77 0.00 0.00 -0.00 0.00 0.00 57.85 58.49 1j4r n ARG 18 Cb 0.52 -2.40 0.00 0.00 0.00 0.00 0.00 32.46 30.59 1j4r n ARG 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1j4r n GLY 19 N 1.25 0.18 3.78 5.14 0.00 -1.22 -5.01 105.19 109.31 1j4r n GLY 19 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1j4r n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j4r s GLN 20 N -0.98 2.85 -0.27 1.61 -0.21 -0.55 -5.02 119.66 117.10 1j4r s GLN 20 Ca 0.00 -0.87 -0.10 0.00 0.02 0.00 0.00 55.36 54.41 1j4r s GLN 20 Cb 0.00 -2.63 -0.04 0.00 1.00 0.00 0.00 33.01 31.33 1j4r s GLN 20 CO 0.00 0.49 0.16 0.99 -2.12 0.00 0.00 175.29 174.81 1j4r s THR 21 N -1.70 5.07 -0.08 -0.19 2.01 -0.21 -3.45 115.64 117.09 1j4r s THR 21 Ca 0.30 0.09 -0.21 0.00 0.31 0.00 0.00 61.69 62.18 1j4r s THR 21 Cb -0.10 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1j4r s THR 21 CO 0.23 0.28 0.61 0.00 -0.69 0.00 0.00 174.62 175.04 1j4r s VAL 23 N 0.60 3.17 0.23 0.00 1.01 -0.68 -1.52 120.40 123.21 1j4r s VAL 23 Ca 0.33 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1j4r s VAL 23 Cb -0.17 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 1j4r s VAL 23 CO 0.15 0.35 0.09 0.68 0.00 0.00 0.00 175.10 176.38 1j4r s VAL 24 N 1.42 0.41 -0.02 2.92 -7.23 0.52 -1.26 120.40 117.17 1j4r s VAL 24 Ca 0.04 -1.99 0.05 0.00 -1.81 0.00 0.00 61.98 58.26 1j4r s VAL 24 Cb -0.15 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 1j4r s VAL 24 CO -0.04 -0.07 -0.17 -1.00 -0.31 0.00 0.00 175.10 173.52 1j4r s HIS 25 N -3.86 1.56 0.18 2.82 3.76 -0.82 0.04 115.29 118.97 1j4r s HIS 25 Ca 0.36 -0.35 -0.10 0.00 -0.15 0.00 0.00 55.06 54.83 1j4r s HIS 25 Cb 0.07 -1.02 -0.01 0.00 1.11 0.00 0.00 32.58 32.74 1j4r s HIS 25 CO 0.12 -0.07 0.33 1.52 -0.85 0.00 0.00 174.74 175.78 1j4r s TYR 26 N -0.24 0.39 -0.05 1.40 -0.85 -1.26 -0.85 117.35 115.89 1j4r s TYR 26 Ca 0.03 -0.75 0.01 0.00 -0.52 0.00 0.00 57.07 55.84 1j4r s TYR 26 Cb -0.08 -0.01 0.02 0.00 0.38 0.00 0.00 41.96 42.27 1j4r s TYR 26 CO 0.00 -0.78 -0.04 0.99 -1.52 0.00 0.00 175.55 174.20 1j4r s THR 27 N -3.98 0.58 -0.16 -3.49 2.01 -0.62 -1.33 115.64 108.65 1j4r s THR 27 Ca 0.19 -0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.03 1j4r s THR 27 Cb 0.02 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.89 1j4r s THR 27 CO 0.02 0.25 -0.04 -0.83 -0.69 0.00 0.00 174.62 173.33 1j4r s GLY 28 N 1.10 1.71 0.03 4.40 0.00 0.13 -0.99 107.32 113.69 1j4r s GLY 28 Ca -0.08 -0.85 0.05 0.00 0.00 0.00 0.00 44.72 43.83 1j4r s GLY 28 CO -0.01 -0.03 -0.14 1.06 0.00 0.00 0.00 173.10 173.98 1j4r s MET 29 N 0.46 0.99 0.71 2.90 -1.94 0.45 -0.58 119.30 122.29 1j4r s MET 29 Ca -0.04 -0.69 -0.09 0.00 -1.71 0.00 0.00 55.69 53.17 1j4r s MET 29 Cb -0.14 -0.99 0.16 0.00 2.01 0.00 0.00 34.83 35.87 1j4r s MET 29 CO 0.03 0.25 0.97 1.28 -0.01 0.00 0.00 175.02 177.54 1j4r n LEU 30 N 2.12 0.00 -0.22 -0.03 4.77 -0.28 -1.02 117.00 122.35 1j4r n LEU 30 Ca -0.17 -1.35 -0.07 0.00 -0.03 0.00 0.00 56.01 54.39 1j4r n LEU 30 Cb 0.55 -0.71 0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1j4r n LEU 30 CO 0.23 -1.13 0.97 -0.33 -1.33 0.00 0.00 177.39 175.81 1j4r h GLU 31 N 0.00 0.93 0.00 3.23 5.08 -1.89 -2.74 114.58 119.20 1j4r h GLU 31 Ca -0.32 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1j4r h GLU 31 Cb 0.96 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1j4r h GLU 31 CO 0.26 0.81 0.00 -0.40 -1.00 0.00 0.00 179.01 178.68 1j4r n ASP 32 N -4.42 0.00 0.00 1.42 5.68 -1.26 -4.82 116.55 113.14 1j4r n ASP 32 Ca 0.04 -0.73 0.00 0.00 -0.50 0.00 0.00 54.79 53.59 1j4r n ASP 32 Cb 0.19 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 1j4r n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j4r n GLY 33 N -0.00 0.79 3.76 6.12 0.00 -1.03 -5.03 105.19 109.80 1j4r n GLY 33 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1j4r n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4r s LYS 34 N -0.06 4.53 -0.07 1.61 3.01 -1.26 -4.83 119.74 122.67 1j4r s LYS 34 Ca 0.00 1.12 -0.29 0.00 -1.01 0.00 0.00 55.97 55.78 1j4r s LYS 34 Cb 0.00 -3.30 -0.02 0.00 -1.01 0.00 0.00 37.83 33.50 1j4r s LYS 34 CO 0.00 0.45 0.98 0.21 0.51 0.00 0.00 175.35 177.50 1j4r s LYS 35 N -0.68 4.46 0.02 1.68 2.20 -1.26 -1.12 119.74 125.04 1j4r s LYS 35 Ca 0.37 1.36 0.22 0.00 -0.36 0.00 0.00 55.97 57.56 1j4r s LYS 35 Cb -0.22 -3.51 -0.19 0.00 -1.51 0.00 0.00 37.83 32.40 1j4r s LYS 35 CO 0.25 -0.21 0.75 1.97 -0.36 0.00 0.00 175.35 177.75 1j4r n PHE 36 N 4.60 0.18 -3.58 4.03 1.16 0.26 -4.96 117.46 119.14 1j4r n PHE 36 Ca 0.07 0.05 -0.05 0.00 -1.87 0.00 0.00 57.45 55.65 1j4r n PHE 36 Cb 0.50 -0.45 -0.02 0.00 -1.61 0.00 0.00 39.48 37.89 1j4r n PHE 36 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1j4r s ASP 37 N -4.22 -0.18 -0.26 5.98 2.15 -1.19 -5.00 116.67 113.95 1j4r s ASP 37 Ca -0.02 0.03 -0.08 0.00 0.43 0.00 0.00 52.55 52.91 1j4r s ASP 37 Cb 0.14 0.18 0.11 0.00 -0.30 0.00 0.00 42.92 43.06 1j4r s ASP 37 CO 0.86 -0.28 0.55 -0.55 -0.17 0.00 0.00 175.17 175.58 1j4r s SER 38 N -2.06 -0.76 0.38 -0.34 0.15 -1.26 0.18 113.70 109.98 1j4r s SER 38 Ca 0.08 1.31 0.15 0.00 0.70 0.00 0.00 55.95 58.18 1j4r s SER 38 Cb -0.01 1.89 0.76 0.00 -1.71 0.00 0.00 66.02 66.94 1j4r s SER 38 CO -0.05 -0.23 1.82 0.77 1.20 0.00 0.00 173.24 176.75 1j4r h SER 39 N 8.08 0.00 -0.51 5.45 4.64 -1.48 -2.35 113.55 127.37 1j4r h SER 39 Ca -0.17 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.04 1j4r h SER 39 Cb 1.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 1j4r h SER 39 CO 0.11 0.37 -0.11 0.03 -0.87 0.00 0.00 176.83 176.36 1j4r h ARG 40 N 0.00 0.99 -0.23 4.77 3.08 -1.84 -0.07 114.38 121.08 1j4r h ARG 40 Ca -0.00 -0.36 -0.12 0.00 0.07 0.00 0.00 59.98 59.56 1j4r h ARG 40 Cb 0.70 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1j4r h ARG 40 CO 0.05 1.04 -0.36 -0.44 -1.07 0.00 0.00 179.97 179.19 1j4r h ASP 41 N 0.88 0.53 0.13 7.04 3.32 -1.82 -2.47 116.42 124.04 1j4r h ASP 41 Ca 0.14 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1j4r h ASP 41 Cb 0.67 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1j4r h ASP 41 CO 0.05 0.85 -0.05 0.54 -1.72 0.00 0.00 179.24 178.91 1j4r n ARG 42 N -4.05 1.10 -3.91 3.56 1.74 -0.91 -4.93 116.66 109.26 1j4r n ARG 42 Ca -0.01 -0.41 -0.28 0.00 -0.77 0.00 0.00 57.85 56.38 1j4r n ARG 42 Cb 0.48 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.42 1j4r n ARG 42 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1j4r n ASN 43 N -0.60 -1.66 -3.29 0.55 4.05 -0.22 -4.96 115.26 109.14 1j4r n ASN 43 Ca 0.19 -1.04 -0.08 0.00 0.45 0.00 0.00 54.58 54.10 1j4r n ASN 43 Cb 0.25 -2.99 -0.06 0.00 1.23 0.00 0.00 39.78 38.21 1j4r n ASN 43 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1j4r s LYS 44 N -6.50 0.43 0.30 1.20 2.20 -0.21 -5.03 119.74 112.13 1j4r s LYS 44 Ca 0.14 0.13 -0.29 0.00 -0.36 0.00 0.00 55.97 55.59 1j4r s LYS 44 Cb -0.06 -0.28 -0.13 0.00 -1.51 0.00 0.00 37.83 35.86 1j4r s LYS 44 CO 0.89 -1.04 1.19 -2.30 -0.36 0.00 0.00 175.35 173.72 1j4r n PRO 45 N 5.33 1.77 -3.38 4.03 -0.02 -1.26 -4.69 135.00 136.78 1j4r n PRO 45 Ca 0.01 0.62 -0.38 0.00 -2.02 0.00 0.00 63.50 61.74 1j4r n PRO 45 Cb 0.50 -2.12 -0.06 0.00 -0.02 0.00 0.00 33.50 31.79 1j4r n PRO 45 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1j4r s PHE 46 N -0.93 3.48 -0.06 6.00 5.36 0.11 -4.88 117.98 127.05 1j4r s PHE 46 Ca 0.59 0.78 0.06 0.00 -0.96 0.00 0.00 56.93 57.39 1j4r s PHE 46 Cb -0.64 -2.50 -0.01 0.00 -0.34 0.00 0.00 43.02 39.53 1j4r s PHE 46 CO 0.60 0.15 -0.23 0.15 -1.46 0.00 0.00 175.22 174.43 1j4r s LYS 47 N 0.70 2.57 0.06 10.12 1.02 -1.26 -0.35 119.74 132.60 1j4r s LYS 47 Ca 0.23 -0.88 -0.15 0.00 0.02 0.00 0.00 55.97 55.19 1j4r s LYS 47 Cb -0.14 -2.20 0.03 0.00 -0.52 0.00 0.00 37.83 34.99 1j4r s LYS 47 CO 0.08 0.41 0.35 -0.59 -0.92 0.00 0.00 175.35 174.68 1j4r s PHE 48 N -0.22 -0.16 -0.20 3.18 -0.71 -0.58 -4.97 117.98 114.33 1j4r s PHE 48 Ca -0.02 0.01 -0.05 0.00 -1.04 0.00 0.00 56.93 55.84 1j4r s PHE 48 Cb -0.13 0.15 -0.02 0.00 -1.21 0.00 0.00 43.02 41.81 1j4r s PHE 48 CO 0.03 -0.56 -0.02 1.41 -1.34 0.00 0.00 175.22 174.74 1j4r s MET 49 N -2.81 3.54 0.58 1.99 1.75 -1.26 -0.31 119.30 122.77 1j4r s MET 49 Ca -0.03 -0.56 -0.20 0.00 -1.25 0.00 0.00 55.69 53.65 1j4r s MET 49 Cb -0.00 -3.04 -0.04 0.00 2.84 0.00 0.00 34.83 34.59 1j4r s MET 49 CO -0.05 -0.04 1.28 -0.51 -0.65 0.00 0.00 175.02 175.05 1j4r s LEU 50 N 1.11 3.74 -0.10 4.11 1.43 -1.22 -2.95 118.68 124.81 1j4r s LEU 50 Ca 0.02 2.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 1j4r s LEU 50 Cb -0.14 -4.46 0.00 0.00 0.03 0.00 0.00 46.19 41.62 1j4r s LEU 50 CO 0.01 -1.62 0.00 0.61 0.23 0.00 0.00 176.35 175.58 1j4r n GLY 51 N 0.68 0.48 0.45 -3.19 0.00 -1.26 -3.40 105.19 98.95 1j4r n GLY 51 Ca 0.12 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.91 1j4r n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j4r n LYS 52 N -2.58 2.65 -2.87 1.61 4.76 -1.15 -4.97 118.16 115.60 1j4r n LYS 52 Ca -0.01 -2.20 -0.17 0.00 -2.87 0.00 0.00 58.31 53.06 1j4r n LYS 52 Cb 0.08 -1.38 -0.00 0.00 -1.84 0.00 0.00 35.03 31.88 1j4r n LYS 52 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1j4r n GLN 53 N -0.31 -2.95 -0.03 1.97 3.00 -1.26 -4.85 117.38 112.94 1j4r n GLN 53 Ca 0.12 0.56 0.12 0.00 -0.01 0.00 0.00 57.00 57.79 1j4r n GLN 53 Cb 0.53 -5.22 0.24 0.00 0.00 0.00 0.00 30.24 25.79 1j4r n GLN 53 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1j4r n GLU 54 N -3.28 2.15 -4.02 -1.09 0.28 -1.26 -4.96 120.64 108.46 1j4r n GLU 54 Ca -0.09 -1.69 -0.08 0.00 -0.16 0.00 0.00 57.16 55.15 1j4r n GLU 54 Cb 0.58 -1.47 -0.09 0.00 1.43 0.00 0.00 31.44 31.89 1j4r n GLU 54 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1j4r s VAL 55 N -1.92 0.17 0.91 3.84 -7.23 -1.26 -5.04 120.40 109.86 1j4r s VAL 55 Ca 0.32 -1.62 -0.12 0.00 -1.81 0.00 0.00 61.98 58.76 1j4r s VAL 55 Cb 0.20 -1.58 0.09 0.00 0.56 0.00 0.00 36.38 35.66 1j4r s VAL 55 CO 0.31 -0.76 0.86 2.30 -0.31 0.00 0.00 175.10 177.49 1j4r n ILE 56 N 0.00 0.36 -0.31 -0.62 -5.35 -1.26 -4.68 119.36 107.51 1j4r n ILE 56 Ca -0.12 -0.12 -0.01 0.00 -0.27 0.00 0.00 62.75 62.23 1j4r n ILE 56 Cb 0.62 -0.88 0.11 0.00 -1.74 0.00 0.00 39.64 37.75 1j4r n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1j4r h ARG 57 N -1.58 1.00 -0.79 6.28 2.43 -1.83 -1.93 114.38 117.96 1j4r h ARG 57 Ca -0.44 -0.06 0.09 0.00 -0.81 0.00 0.00 59.98 58.76 1j4r h ARG 57 Cb 1.28 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 30.55 1j4r h ARG 57 CO 0.39 0.66 0.52 0.78 -1.51 0.00 0.00 179.97 180.81 1j4r h GLY 58 N 1.03 1.06 0.49 2.80 0.00 -1.48 -0.88 103.07 106.09 1j4r h GLY 58 Ca 0.34 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 1j4r h GLY 58 CO -0.13 0.19 -0.17 1.49 0.00 0.00 0.00 176.54 177.93 1j4r h TRP 59 N 0.76 0.22 -0.45 5.60 4.06 -1.70 0.43 115.95 124.88 1j4r h TRP 59 Ca 0.36 -0.10 0.08 0.00 2.06 0.00 0.00 58.89 61.29 1j4r h TRP 59 Cb 0.40 -0.03 -0.07 0.00 -1.00 0.00 0.00 29.16 28.45 1j4r h TRP 59 CO -0.00 0.82 -0.00 1.49 -3.56 0.00 0.00 178.44 177.19 1j4r h GLU 60 N -0.43 0.11 0.10 0.49 4.57 -1.06 0.39 114.58 118.74 1j4r h GLU 60 Ca -0.01 -0.01 -0.28 0.00 -1.18 0.00 0.00 59.36 57.88 1j4r h GLU 60 Cb 0.84 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.40 1j4r h GLU 60 CO 0.03 0.07 -1.34 0.93 -1.18 0.00 0.00 179.01 177.53 1j4r h GLU 61 N 0.11 0.20 0.06 1.92 5.08 -1.27 -3.27 114.58 117.41 1j4r h GLU 61 Ca 0.22 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1j4r h GLU 61 Cb 0.32 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1j4r h GLU 61 CO -0.37 1.10 -0.03 0.78 -1.00 0.00 0.00 179.01 179.50 1j4r h GLY 62 N 1.96 -0.08 2.00 -3.84 0.00 -0.72 -3.23 103.07 99.15 1j4r h GLY 62 Ca -0.16 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 1j4r h GLY 62 CO 0.17 -0.03 -0.16 -2.08 0.00 0.00 0.00 176.54 174.44 1j4r h VAL 63 N -0.70 0.68 -0.25 4.60 2.07 -1.12 -1.73 116.25 119.80 1j4r h VAL 63 Ca -0.01 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 1j4r h VAL 63 Cb 0.59 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1j4r h VAL 63 CO 0.01 0.16 -0.00 0.00 0.02 0.00 0.00 177.57 177.76 1j4r h ALA 64 N 1.84 1.53 0.00 1.67 0.00 -1.61 -2.02 119.26 120.67 1j4r h ALA 64 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1j4r h ALA 64 Cb 0.41 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1j4r h ALA 64 CO 0.02 0.34 0.00 1.04 0.00 0.00 0.00 179.25 180.65 1j4r n GLN 65 N -4.33 0.63 -3.67 0.00 6.02 -0.65 -4.41 117.38 110.97 1j4r n GLN 65 Ca 0.01 0.01 -0.34 0.00 -0.01 0.00 0.00 57.00 56.67 1j4r n GLN 65 Cb 0.21 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.91 1j4r n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1j4r s MET 66 N -2.30 3.66 0.15 -1.09 -1.94 -0.76 -5.08 119.30 111.95 1j4r s MET 66 Ca 0.34 0.03 0.04 0.00 -1.71 0.00 0.00 55.69 54.40 1j4r s MET 66 Cb 0.19 -3.02 -0.04 0.00 2.01 0.00 0.00 34.83 33.97 1j4r s MET 66 CO 0.38 0.59 0.16 -1.54 -0.01 0.00 0.00 175.02 174.60 1j4r s SER 67 N -1.79 5.66 0.15 3.03 1.04 -1.26 -4.14 113.70 116.38 1j4r s SER 67 Ca 0.31 -0.07 -0.34 0.00 0.48 0.00 0.00 55.95 56.33 1j4r s SER 67 Cb -0.13 -1.52 -0.15 0.00 0.10 0.00 0.00 66.02 64.31 1j4r s SER 67 CO 0.18 0.08 1.34 0.52 0.98 0.00 0.00 173.24 176.33 1j4r n VAL 68 N -0.31 0.40 0.00 5.02 0.31 -0.61 -1.14 118.33 122.00 1j4r n VAL 68 Ca -0.08 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1j4r n VAL 68 Cb 0.54 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 1j4r n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j4r n GLY 69 N 2.47 1.61 3.78 2.92 0.00 0.27 -1.15 105.19 115.09 1j4r n GLY 69 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1j4r n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1j4r s GLN 70 N -0.69 3.90 -0.11 1.61 0.74 -0.29 -4.41 119.66 120.40 1j4r s GLN 70 Ca 0.00 1.60 0.02 0.00 0.05 0.00 0.00 55.36 57.02 1j4r s GLN 70 Cb 0.00 -2.39 0.02 0.00 1.10 0.00 0.00 33.01 31.74 1j4r s GLN 70 CO 0.00 -0.39 -0.15 0.50 -0.55 0.00 0.00 175.29 174.70 1j4r s ARG 71 N -2.73 2.23 0.05 1.67 3.52 -0.13 -0.90 118.95 122.66 1j4r s ARG 71 Ca 0.62 -0.56 -0.09 0.00 -0.13 0.00 0.00 55.73 55.57 1j4r s ARG 71 Cb -0.24 -1.91 -0.00 0.00 -1.56 0.00 0.00 34.95 31.24 1j4r s ARG 71 CO 0.29 -0.08 0.18 0.00 -0.81 0.00 0.00 175.30 174.88 1j4r s ALA 72 N 1.02 -0.27 -0.26 6.12 0.00 -0.05 0.81 121.76 129.13 1j4r s ALA 72 Ca -0.06 -0.43 -0.10 0.00 0.00 0.00 0.00 51.96 51.37 1j4r s ALA 72 Cb -0.15 0.34 -0.05 0.00 0.00 0.00 0.00 23.12 23.26 1j4r s ALA 72 CO -0.02 -0.40 0.17 0.21 0.00 0.00 0.00 175.76 175.71 1j4r s LYS 73 N -2.98 3.96 -0.24 0.00 2.20 0.21 -0.83 119.74 122.07 1j4r s LYS 73 Ca -0.02 -0.32 -0.07 0.00 -0.36 0.00 0.00 55.97 55.20 1j4r s LYS 73 Cb 0.01 -3.58 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 1j4r s LYS 73 CO -0.06 -0.09 0.08 -0.51 -0.36 0.00 0.00 175.35 174.41 1j4r s LEU 74 N 1.47 3.52 -0.29 5.43 1.02 0.40 -0.58 118.68 129.66 1j4r s LEU 74 Ca 0.07 -0.15 -0.07 0.00 0.02 0.00 0.00 54.13 54.00 1j4r s LEU 74 Cb -0.15 -1.94 0.00 0.00 0.02 0.00 0.00 46.19 44.12 1j4r s LEU 74 CO 0.08 -0.00 0.08 -0.89 0.02 0.00 0.00 176.35 175.63 1j4r s THR 75 N 1.44 4.02 -0.19 5.49 2.01 -0.28 -0.43 115.64 127.70 1j4r s THR 75 Ca 0.06 -0.62 -0.02 0.00 0.31 0.00 0.00 61.69 61.42 1j4r s THR 75 Cb -0.15 -3.05 -0.00 0.00 0.01 0.00 0.00 72.50 69.31 1j4r s THR 75 CO 0.04 0.12 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.35 1j4r s ILE 76 N 1.52 2.93 0.69 1.82 1.01 0.14 -1.21 121.20 128.09 1j4r s ILE 76 Ca 0.03 -0.66 -0.14 0.00 0.00 0.00 0.00 60.65 59.89 1j4r s ILE 76 Cb -0.17 -2.29 0.02 0.00 0.01 0.00 0.00 42.46 40.03 1j4r s ILE 76 CO 0.03 0.48 1.11 -0.94 0.00 0.00 0.00 174.94 175.61 1j4r s SER 77 N 1.21 4.91 0.54 3.58 1.04 -0.20 -0.56 113.70 124.22 1j4r s SER 77 Ca 0.02 1.97 0.23 0.00 0.48 0.00 0.00 55.95 58.65 1j4r s SER 77 Cb -0.14 -2.54 1.41 0.00 0.10 0.00 0.00 66.02 64.84 1j4r s SER 77 CO -0.04 -1.76 2.08 1.55 0.98 0.00 0.00 173.24 176.05 1j4r h PRO 78 N -0.28 0.00 0.00 4.02 0.13 -1.85 -0.11 132.00 133.90 1j4r h PRO 78 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1j4r h PRO 78 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1j4r h PRO 78 CO 0.53 0.00 0.00 0.38 -0.23 0.00 0.00 178.00 178.68 1j4r h ASP 79 N 0.00 0.00 -0.60 1.44 2.03 -1.91 0.36 116.42 117.75 1j4r h ASP 79 Ca 0.12 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 1j4r h ASP 79 Cb 0.52 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.02 1j4r h ASP 79 CO -0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 179.24 176.99 1j4r n TYR 80 N -2.77 0.79 0.00 4.15 4.02 -0.07 -4.86 117.16 118.42 1j4r n TYR 80 Ca 0.01 -0.47 0.00 0.00 -0.01 0.00 0.00 57.90 57.43 1j4r n TYR 80 Cb 0.27 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 1j4r n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1j4r n ALA 81 N 1.35 0.00 0.12 -0.72 0.00 -0.54 -1.15 120.51 119.58 1j4r n ALA 81 Ca 0.21 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.72 1j4r n ALA 81 Cb 0.57 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.16 1j4r n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1j4r n TYR 82 N 0.00 0.36 -3.77 0.00 4.01 -1.14 -4.79 117.16 111.84 1j4r n TYR 82 Ca 0.00 -0.29 0.00 0.00 -0.16 0.00 0.00 57.90 57.45 1j4r n TYR 82 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 1j4r n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1j4r n GLY 83 N 0.86 0.97 0.30 2.72 0.00 0.01 -0.90 105.19 109.14 1j4r n GLY 83 Ca 0.13 -0.63 -0.03 0.00 0.00 0.00 0.00 46.02 45.49 1j4r n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j4r h ALA 84 N -0.75 1.22 -0.63 4.61 0.00 -1.94 -1.21 119.26 120.56 1j4r h ALA 84 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1j4r h ALA 84 Cb 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1j4r h ALA 84 CO 0.00 0.54 0.31 1.15 0.00 0.00 0.00 179.25 181.25 1j4r h THR 85 N 0.77 1.21 -0.40 0.00 2.02 -1.91 -3.31 112.91 111.29 1j4r h THR 85 Ca 0.17 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1j4r h THR 85 Cb 0.31 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1j4r h THR 85 CO 0.00 0.24 0.00 0.61 0.37 0.00 0.00 175.52 176.74 1j4r n GLY 86 N -0.97 0.09 2.48 2.16 0.00 -0.08 -4.37 105.19 104.49 1j4r n GLY 86 Ca 0.04 -0.96 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 1j4r n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1j4r s HIS 87 N 0.00 0.66 -0.42 1.61 5.04 0.21 -4.89 115.29 117.51 1j4r s HIS 87 Ca 0.00 -1.67 -0.44 0.00 -1.54 0.00 0.00 55.06 51.41 1j4r s HIS 87 Cb 0.00 -0.84 -0.18 0.00 0.04 0.00 0.00 32.58 31.60 1j4r s HIS 87 CO 0.00 -0.85 1.73 -2.30 -2.34 0.00 0.00 174.74 170.98 1j4r n PRO 88 N 3.81 0.45 0.00 2.88 -0.02 -1.24 -0.78 135.00 140.10 1j4r n PRO 88 Ca 0.16 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1j4r n PRO 88 Cb 0.40 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 1j4r n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j4r n GLY 89 N 4.52 1.62 0.10 -1.23 0.00 -1.26 -4.85 105.19 104.10 1j4r n GLY 89 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1j4r n GLY 89 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1j4r n ILE 90 N -0.17 0.00 -4.28 -0.61 3.06 0.04 -5.08 119.36 112.31 1j4r n ILE 90 Ca 0.00 0.00 -0.26 0.00 -2.50 0.00 0.00 62.75 59.99 1j4r n ILE 90 Cb 0.00 -0.14 -0.17 0.00 0.54 0.00 0.00 39.64 39.87 1j4r n ILE 90 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1j4r s ILE 91 N -1.26 1.15 0.85 9.51 1.01 -0.35 -4.85 121.20 127.26 1j4r s ILE 91 Ca 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.10 1j4r s ILE 91 Cb 0.00 -1.10 0.10 0.00 0.01 0.00 0.00 42.46 41.48 1j4r s ILE 91 CO 0.00 0.37 1.14 -2.16 0.00 0.00 0.00 174.94 174.29 1j4r s PRO 92 N 1.14 1.63 0.55 2.79 0.04 -1.26 0.68 135.00 140.56 1j4r s PRO 92 Ca -0.05 0.32 -0.21 0.00 0.04 0.00 0.00 61.00 61.10 1j4r s PRO 92 Cb -0.14 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1j4r s PRO 92 CO -0.02 -1.87 1.30 -2.30 0.04 0.00 0.00 177.00 174.15 1j4r n PRO 93 N -3.55 1.58 -3.78 0.56 -0.02 -1.26 -3.39 135.00 125.15 1j4r n PRO 93 Ca 0.07 0.58 -0.29 0.00 -2.02 0.00 0.00 63.50 61.84 1j4r n PRO 93 Cb 0.59 -2.51 -0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1j4r n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1j4r n HIS 94 N -1.10 -1.94 -3.07 6.00 8.25 -0.46 -4.93 115.22 117.97 1j4r n HIS 94 Ca 0.11 0.70 -0.40 0.00 -0.26 0.00 0.00 57.72 57.88 1j4r n HIS 94 Cb 0.45 -3.30 -0.05 0.00 1.12 0.00 0.00 29.99 28.21 1j4r n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j4r s ALA 95 N -3.15 3.37 -0.17 -1.41 0.00 -1.22 -4.77 121.76 114.41 1j4r s ALA 95 Ca 0.59 0.08 -0.22 0.00 0.00 0.00 0.00 51.96 52.40 1j4r s ALA 95 Cb -0.31 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 1j4r s ALA 95 CO 0.72 -0.14 0.70 0.99 0.00 0.00 0.00 175.76 178.03 1j4r s THR 96 N 0.89 4.99 -0.02 0.00 2.01 -1.26 -3.39 115.64 118.86 1j4r s THR 96 Ca 0.36 1.36 -0.00 0.00 0.31 0.00 0.00 61.69 63.71 1j4r s THR 96 Cb -0.17 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 1j4r s THR 96 CO 0.17 0.11 0.04 -0.76 -0.69 0.00 0.00 174.62 173.49 1j4r s LEU 97 N 1.78 3.72 -0.19 4.42 1.43 0.27 -3.75 118.68 126.36 1j4r s LEU 97 Ca 0.33 0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.55 1j4r s LEU 97 Cb -0.16 -2.09 0.03 0.00 0.03 0.00 0.00 46.19 44.00 1j4r s LEU 97 CO 0.12 0.30 -0.15 -0.69 0.23 0.00 0.00 176.35 176.16 1j4r s VAL 98 N -1.09 1.88 -0.15 -1.59 1.01 -0.19 0.24 120.40 120.51 1j4r s VAL 98 Ca 0.20 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 1j4r s VAL 98 Cb -0.12 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1j4r s VAL 98 CO 0.10 0.34 -0.10 -0.36 0.00 0.00 0.00 175.10 175.08 1j4r s PHE 99 N 1.32 2.88 -0.40 5.22 0.40 0.43 -0.41 117.98 127.42 1j4r s PHE 99 Ca 0.01 -0.66 -0.19 0.00 -0.60 0.00 0.00 56.93 55.49 1j4r s PHE 99 Cb -0.15 -1.92 0.01 0.00 0.51 0.00 0.00 43.02 41.48 1j4r s PHE 99 CO -0.10 -0.26 0.56 0.34 0.70 0.00 0.00 175.22 176.47 1j4r s ASP 100 N 0.59 6.30 -0.02 1.36 -1.08 -0.16 -0.45 116.67 123.21 1j4r s ASP 100 Ca -0.06 -0.27 0.07 0.00 -0.52 0.00 0.00 52.55 51.77 1j4r s ASP 100 Cb -0.15 -2.29 -0.02 0.00 -1.46 0.00 0.00 42.92 39.00 1j4r s ASP 100 CO 0.03 -0.64 -0.24 -0.69 0.52 0.00 0.00 175.17 174.16 1j4r s VAL 101 N 2.55 2.25 -0.13 1.11 1.01 -0.01 -1.60 120.40 125.59 1j4r s VAL 101 Ca 0.20 -1.08 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 1j4r s VAL 101 Cb -0.15 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.44 1j4r s VAL 101 CO 0.16 0.55 -0.10 -0.70 0.00 0.00 0.00 175.10 175.01 1j4r s GLU 102 N -0.73 1.81 -0.69 2.72 2.12 -0.03 -0.87 118.70 123.03 1j4r s GLU 102 Ca 0.11 -0.37 -0.24 0.00 0.36 0.00 0.00 54.97 54.82 1j4r s GLU 102 Cb -0.10 -1.79 0.05 0.00 0.26 0.00 0.00 34.13 32.55 1j4r s GLU 102 CO -0.00 -0.26 1.08 -1.17 -0.54 0.00 0.00 175.26 174.37 1j4r s LEU 103 N 1.62 3.91 -0.07 2.70 2.96 -0.08 -1.95 118.68 127.78 1j4r s LEU 103 Ca 0.05 -0.76 -0.26 0.00 -0.22 0.00 0.00 54.13 52.95 1j4r s LEU 103 Cb -0.13 -2.49 -0.21 0.00 0.50 0.00 0.00 46.19 43.86 1j4r s LEU 103 CO -0.09 -1.59 1.00 -0.07 -1.32 0.00 0.00 176.35 174.28 1j4r h LEU 104 N 11.98 -0.04 -7.62 -0.68 3.38 -1.48 0.77 115.31 121.62 1j4r h LEU 104 Ca -0.28 -0.63 0.20 0.00 0.09 0.00 0.00 57.88 57.26 1j4r h LEU 104 Cb 1.06 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.74 1j4r h LEU 104 CO 1.22 0.64 0.55 -1.59 0.09 0.00 0.00 178.44 179.34 1j4r s LYS 105 N -3.35 1.08 -0.08 1.13 -2.85 -1.18 -4.41 119.74 110.08 1j4r s LYS 105 Ca -0.16 -0.61 0.03 0.00 -1.00 0.00 0.00 55.97 54.23 1j4r s LYS 105 Cb -0.00 0.36 -0.02 0.00 -2.06 0.00 0.00 37.83 36.11 1j4r s LYS 105 CO 0.63 -0.50 -0.16 -0.51 0.10 0.00 0.00 175.35 174.91 1j4r s LEU 106 N -2.99 2.57 0.00 2.77 1.43 -1.26 -1.69 118.68 119.51 1j4r s LEU 106 Ca 0.13 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1j4r s LEU 106 Cb -0.00 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.68 1j4r s LEU 106 CO 0.02 0.25 0.51 -0.62 0.23 0.00 0.00 176.35 176.74