#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 1.06 -0.17 1.61 0.11 -1.26 -0.67 120.40 121.09 1j4r s VAL 2 Ca 0.00 -0.36 -0.14 0.00 -2.93 0.00 0.00 61.98 58.55 1j4r s VAL 2 Cb 0.00 -1.04 -0.05 0.00 -1.53 0.00 0.00 36.38 33.77 1j4r s VAL 2 CO 0.00 0.36 0.28 -1.58 -3.33 0.00 0.00 175.10 170.83 1j4r s GLN 3 N 1.30 4.25 -0.21 1.54 0.74 -0.19 -4.91 119.66 122.18 1j4r s GLN 3 Ca -0.03 0.07 -0.04 0.00 0.05 0.00 0.00 55.36 55.41 1j4r s GLN 3 Cb -0.14 -3.44 -0.01 0.00 1.10 0.00 0.00 33.01 30.53 1j4r s GLN 3 CO -0.04 0.22 -0.04 0.08 -0.55 0.00 0.00 175.29 174.96 1j4r s VAL 4 N 0.53 3.45 -0.27 1.34 1.01 -1.26 -0.43 120.40 124.76 1j4r s VAL 4 Ca 0.16 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1j4r s VAL 4 Cb -0.13 -2.56 0.07 0.00 0.00 0.00 0.00 36.38 33.77 1j4r s VAL 4 CO 0.04 0.43 -0.02 -1.61 0.00 0.00 0.00 175.10 173.94 1j4r s GLU 5 N 1.31 1.55 0.14 2.72 2.02 0.84 -4.95 118.70 122.33 1j4r s GLU 5 Ca 0.04 -1.22 -0.31 0.00 0.02 0.00 0.00 54.97 53.49 1j4r s GLU 5 Cb -0.14 -2.67 -0.10 0.00 0.10 0.00 0.00 34.13 31.32 1j4r s GLU 5 CO -0.02 -0.72 1.61 0.99 0.02 0.00 0.00 175.26 177.15 1j4r s THR 6 N 1.29 2.67 -0.27 3.63 2.01 -1.26 0.65 115.64 124.35 1j4r s THR 6 Ca -0.01 0.40 -0.15 0.00 0.31 0.00 0.00 61.69 62.25 1j4r s THR 6 Cb -0.19 -3.26 -0.13 0.00 0.01 0.00 0.00 72.50 68.94 1j4r s THR 6 CO -0.09 0.02 -0.30 -0.38 -0.69 0.00 0.00 174.62 173.19 1j4r n ILE 7 N 4.20 1.53 -4.05 1.82 5.41 0.22 -4.89 119.36 123.60 1j4r n ILE 7 Ca 0.15 -0.35 -0.16 0.00 1.00 0.00 0.00 62.75 63.39 1j4r n ILE 7 Cb 0.39 -1.89 -0.15 0.00 -0.71 0.00 0.00 39.64 37.27 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 -7.43 0.46 0.41 4.38 0.01 -0.23 -4.97 113.70 106.33 1j4r s SER 8 Ca -0.38 -0.06 -0.25 0.00 1.31 0.00 0.00 55.95 56.57 1j4r s SER 8 Cb 0.14 -0.11 -0.08 0.00 0.21 0.00 0.00 66.02 66.17 1j4r s SER 8 CO 0.50 0.01 1.15 -2.16 0.41 0.00 0.00 173.24 173.15 1j4r s PRO 9 N 0.22 4.03 0.00 12.44 0.04 -1.26 0.08 135.00 150.55 1j4r s PRO 9 Ca -0.02 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1j4r s PRO 9 Cb -0.05 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1j4r s PRO 9 CO -0.00 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.12 1j4r n GLY 10 N 0.56 0.50 0.00 0.56 0.00 -1.26 -4.16 105.19 101.39 1j4r n GLY 10 Ca 0.05 -1.85 0.12 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.72 0.00 0.00 1.61 5.75 -0.65 -4.82 116.55 117.72 1j4r n ASP 11 Ca 0.00 0.16 0.00 0.00 -0.01 0.00 0.00 54.79 54.94 1j4r n ASP 11 Cb 0.00 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 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 0.97 0.31 0.00 6.12 0.00 -1.26 -4.76 105.19 106.57 1j4r n GLY 12 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.31 3.07 -3.48 1.61 1.85 -1.26 -5.01 116.66 112.13 1j4r n ARG 13 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 1j4r n ARG 13 Cb 0.19 -0.26 -0.06 0.00 -1.05 0.00 0.00 32.46 31.29 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 0.00 4.77 0.03 8.89 2.01 -1.26 -5.05 115.64 125.03 1j4r s THR 14 Ca 0.00 -2.35 0.02 0.00 0.31 0.00 0.00 61.69 59.67 1j4r s THR 14 Cb 0.00 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 1j4r s THR 14 CO 0.00 -0.92 0.04 -0.36 -0.69 0.00 0.00 174.62 172.70 1j4r s PHE 15 N 0.52 3.15 0.19 4.92 0.08 -1.26 -1.42 117.98 124.16 1j4r s PHE 15 Ca 0.13 0.10 -0.33 0.00 0.12 0.00 0.00 56.93 56.96 1j4r s PHE 15 Cb -0.18 -1.66 -0.14 0.00 -0.57 0.00 0.00 43.02 40.47 1j4r s PHE 15 CO -0.04 0.51 1.39 -2.30 -0.10 0.00 0.00 175.22 174.67 1j4r n PRO 16 N 0.97 1.81 -4.34 0.24 -0.02 -1.26 -5.01 135.00 127.39 1j4r n PRO 16 Ca -0.12 0.65 -0.24 0.00 -2.02 0.00 0.00 63.50 61.76 1j4r n PRO 16 Cb 0.52 -2.30 -0.09 0.00 -0.02 0.00 0.00 33.50 31.62 1j4r n PRO 16 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1j4r s LYS 17 N -0.02 2.06 0.14 -0.52 1.02 -1.26 -5.02 119.74 116.14 1j4r s LYS 17 Ca 0.73 -1.46 -0.34 0.00 0.02 0.00 0.00 55.97 54.92 1j4r s LYS 17 Cb -0.72 -2.06 -0.14 0.00 -0.52 0.00 0.00 37.83 34.39 1j4r s LYS 17 CO 0.47 0.38 1.60 -2.13 -0.92 0.00 0.00 175.35 174.75 1j4r n ARG 18 N -0.55 2.14 -0.12 1.68 0.63 -1.26 -2.02 116.66 117.16 1j4r n ARG 18 Ca -0.07 0.77 0.00 0.00 -0.92 0.00 0.00 57.85 57.63 1j4r n ARG 18 Cb 0.58 -2.55 0.00 0.00 0.45 0.00 0.00 32.46 30.94 1j4r n ARG 18 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j4r n GLY 19 N 3.49 0.65 3.88 5.14 0.00 -1.24 -5.05 105.19 112.05 1j4r n GLY 19 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.77 3.77 -0.26 1.61 -0.21 -0.86 -4.97 119.66 117.97 1j4r s GLN 20 Ca 0.00 0.19 -0.10 0.00 0.02 0.00 0.00 55.36 55.48 1j4r s GLN 20 Cb 0.00 -2.73 -0.04 0.00 1.00 0.00 0.00 33.01 31.24 1j4r s GLN 20 CO 0.00 0.38 0.14 0.99 -2.12 0.00 0.00 175.29 174.68 1j4r s THR 21 N -1.73 4.95 0.09 -0.19 2.01 0.91 -3.07 115.64 118.61 1j4r s THR 21 Ca 0.44 0.04 -0.25 0.00 0.31 0.00 0.00 61.69 62.24 1j4r s THR 21 Cb -0.12 -3.33 -0.06 0.00 0.01 0.00 0.00 72.50 69.00 1j4r s THR 21 CO 0.22 0.30 0.78 0.00 -0.69 0.00 0.00 174.62 175.23 1j4r s VAL 23 N -0.42 2.44 0.15 0.00 1.01 -0.67 -1.81 120.40 121.10 1j4r s VAL 23 Ca 0.38 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.43 1j4r s VAL 23 Cb -0.22 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1j4r s VAL 23 CO 0.24 0.38 -0.10 0.68 0.00 0.00 0.00 175.10 176.31 1j4r s VAL 24 N 1.30 1.17 -0.04 2.92 -7.23 0.45 -0.52 120.40 118.44 1j4r s VAL 24 Ca 0.02 -2.06 0.07 0.00 -1.81 0.00 0.00 61.98 58.20 1j4r s VAL 24 Cb -0.15 -1.85 -0.01 0.00 0.56 0.00 0.00 36.38 34.93 1j4r s VAL 24 CO -0.09 -0.74 -0.25 -1.00 -0.31 0.00 0.00 175.10 172.71 1j4r s HIS 25 N -3.33 2.35 0.14 2.82 3.76 -0.82 0.12 115.29 120.32 1j4r s HIS 25 Ca 0.17 -0.62 -0.10 0.00 -0.15 0.00 0.00 55.06 54.36 1j4r s HIS 25 Cb 0.03 -1.53 -0.00 0.00 1.11 0.00 0.00 32.58 32.18 1j4r s HIS 25 CO 0.01 -0.16 0.27 1.52 -0.85 0.00 0.00 174.74 175.53 1j4r s TYR 26 N -0.29 0.24 -0.05 1.40 -0.85 -1.26 -0.96 117.35 115.59 1j4r s TYR 26 Ca 0.01 -0.62 0.01 0.00 -0.52 0.00 0.00 57.07 55.94 1j4r s TYR 26 Cb -0.12 -0.01 0.02 0.00 0.38 0.00 0.00 41.96 42.23 1j4r s TYR 26 CO 0.02 -0.67 -0.03 0.99 -1.52 0.00 0.00 175.55 174.34 1j4r s THR 27 N -3.91 0.46 -0.17 -3.49 2.01 -0.69 -1.29 115.64 108.55 1j4r s THR 27 Ca 0.11 -0.06 -0.04 0.00 0.31 0.00 0.00 61.69 62.02 1j4r s THR 27 Cb 0.04 -0.51 -0.02 0.00 0.01 0.00 0.00 72.50 72.01 1j4r s THR 27 CO -0.05 0.22 -0.04 -0.83 -0.69 0.00 0.00 174.62 173.23 1j4r s GLY 28 N 1.07 1.70 0.04 4.40 0.00 0.23 -0.50 107.32 114.26 1j4r s GLY 28 Ca -0.09 -0.88 0.06 0.00 0.00 0.00 0.00 44.72 43.81 1j4r s GLY 28 CO -0.01 0.02 -0.17 1.06 0.00 0.00 0.00 173.10 174.00 1j4r s MET 29 N 0.56 1.12 0.72 2.90 -1.94 0.60 -0.90 119.30 122.36 1j4r s MET 29 Ca -0.03 -0.85 -0.06 0.00 -1.71 0.00 0.00 55.69 53.04 1j4r s MET 29 Cb -0.14 -1.19 0.09 0.00 2.01 0.00 0.00 34.83 35.60 1j4r s MET 29 CO 0.03 0.30 1.02 -0.51 -0.01 0.00 0.00 175.02 175.84 1j4r s LEU 30 N -1.20 2.89 0.50 -0.03 1.43 -0.25 -0.50 118.68 121.51 1j4r s LEU 30 Ca 0.04 0.22 0.34 0.00 -1.03 0.00 0.00 54.13 53.70 1j4r s LEU 30 Cb -0.08 -2.76 1.67 0.00 0.03 0.00 0.00 46.19 45.05 1j4r s LEU 30 CO 0.02 -1.74 2.02 -0.33 0.23 0.00 0.00 176.35 176.55 1j4r h GLU 31 N -0.64 0.00 -0.22 1.70 5.08 -1.89 -1.84 114.58 116.77 1j4r h GLU 31 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1j4r h GLU 31 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1j4r h GLU 31 CO 0.53 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.14 1j4r n ASP 32 N -2.78 1.49 0.00 1.42 5.68 -1.26 -4.91 116.55 116.19 1j4r n ASP 32 Ca -0.01 -1.83 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 1j4r n ASP 32 Cb 0.15 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 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 1.02 1.62 3.72 6.12 0.00 -0.69 -5.00 105.19 111.97 1j4r n GLY 33 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1j4r n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j4r s LYS 34 N -0.01 4.51 0.00 1.61 2.47 -1.26 -4.80 119.74 122.27 1j4r s LYS 34 Ca 0.00 1.66 -0.29 0.00 -1.56 0.00 0.00 55.97 55.77 1j4r s LYS 34 Cb 0.00 -3.36 -0.03 0.00 -1.46 0.00 0.00 37.83 32.98 1j4r s LYS 34 CO 0.00 -0.10 0.95 0.21 0.16 0.00 0.00 175.35 176.57 1j4r s LYS 35 N 0.65 4.56 -0.03 4.03 2.20 -1.26 -1.09 119.74 128.80 1j4r s LYS 35 Ca 0.54 1.37 0.19 0.00 -0.36 0.00 0.00 55.97 57.71 1j4r s LYS 35 Cb -0.27 -3.45 -0.29 0.00 -1.51 0.00 0.00 37.83 32.31 1j4r s LYS 35 CO 0.30 -0.02 0.41 1.97 -0.36 0.00 0.00 175.35 177.65 1j4r n PHE 36 N 3.82 0.00 -3.56 4.03 1.16 -0.08 -4.95 117.46 117.87 1j4r n PHE 36 Ca 0.05 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.56 1j4r n PHE 36 Cb 0.51 -0.42 -0.03 0.00 -1.61 0.00 0.00 39.48 37.93 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 -4.14 -0.25 -0.28 5.98 2.15 -1.17 -5.01 116.67 113.95 1j4r s ASP 37 Ca -0.07 0.07 -0.10 0.00 0.43 0.00 0.00 52.55 52.88 1j4r s ASP 37 Cb 0.12 0.25 0.12 0.00 -0.30 0.00 0.00 42.92 43.11 1j4r s ASP 37 CO 0.77 -0.38 0.62 -0.55 -0.17 0.00 0.00 175.17 175.47 1j4r s SER 38 N -2.04 -1.00 0.51 -0.34 0.15 -1.26 0.77 113.70 110.48 1j4r s SER 38 Ca 0.06 1.49 0.30 0.00 0.70 0.00 0.00 55.95 58.49 1j4r s SER 38 Cb -0.01 2.05 1.02 0.00 -1.71 0.00 0.00 66.02 67.38 1j4r s SER 38 CO -0.05 -0.22 1.86 0.77 1.20 0.00 0.00 173.24 176.79 1j4r h SER 39 N 7.89 0.00 -0.08 5.45 4.64 -1.47 -1.41 113.55 128.57 1j4r h SER 39 Ca -0.19 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.00 1j4r h SER 39 Cb 1.12 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1j4r h SER 39 CO 0.11 0.03 -0.43 0.03 -0.87 0.00 0.00 176.83 175.70 1j4r h ARG 40 N 0.00 0.44 -0.60 4.77 3.08 -1.85 0.12 114.38 120.33 1j4r h ARG 40 Ca -0.00 -0.36 -0.08 0.00 0.07 0.00 0.00 59.98 59.62 1j4r h ARG 40 Cb 0.68 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 1j4r h ARG 40 CO 0.00 0.99 0.08 -0.44 -1.07 0.00 0.00 179.97 179.54 1j4r h ASP 41 N -0.01 0.97 0.81 7.04 3.32 -1.84 -2.17 116.42 124.54 1j4r h ASP 41 Ca -0.03 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1j4r h ASP 41 Cb 1.08 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1j4r h ASP 41 CO 0.09 1.00 0.00 0.54 -1.72 0.00 0.00 179.24 179.14 1j4r n ARG 42 N -4.28 0.04 -3.80 3.56 1.74 -0.55 -4.93 116.66 108.44 1j4r n ARG 42 Ca 0.03 0.07 -0.24 0.00 -0.77 0.00 0.00 57.85 56.94 1j4r n ARG 42 Cb 0.29 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.25 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 -1.48 -1.73 -3.40 0.55 4.05 0.13 -4.98 115.26 108.40 1j4r n ASN 43 Ca 0.07 -0.85 -0.16 0.00 0.45 0.00 0.00 54.58 54.08 1j4r n ASN 43 Cb 0.28 -3.80 -0.09 0.00 1.23 0.00 0.00 39.78 37.40 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 -6.23 0.32 0.31 1.20 2.20 0.17 -5.03 119.74 112.68 1j4r s LYS 44 Ca 0.15 -0.09 -0.28 0.00 -0.36 0.00 0.00 55.97 55.39 1j4r s LYS 44 Cb -0.07 -0.65 -0.13 0.00 -1.51 0.00 0.00 37.83 35.47 1j4r s LYS 44 CO 0.83 -1.00 1.19 -2.30 -0.36 0.00 0.00 175.35 173.71 1j4r n PRO 45 N 5.32 1.79 -3.28 4.03 -0.02 -1.26 -4.70 135.00 136.88 1j4r n PRO 45 Ca -0.02 0.63 -0.39 0.00 -2.02 0.00 0.00 63.50 61.70 1j4r n PRO 45 Cb 0.47 -2.13 -0.07 0.00 -0.02 0.00 0.00 33.50 31.75 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 -0.95 3.42 -0.09 6.00 5.36 0.12 -4.87 117.98 126.96 1j4r s PHE 46 Ca 0.58 0.80 0.01 0.00 -0.96 0.00 0.00 56.93 57.36 1j4r s PHE 46 Cb -0.64 -2.62 -0.02 0.00 -0.34 0.00 0.00 43.02 39.40 1j4r s PHE 46 CO 0.60 -0.01 -0.12 0.15 -1.46 0.00 0.00 175.22 174.38 1j4r s LYS 47 N 1.30 2.95 -0.01 10.12 1.02 -1.26 -0.41 119.74 133.45 1j4r s LYS 47 Ca 0.24 -0.65 -0.20 0.00 0.02 0.00 0.00 55.97 55.38 1j4r s LYS 47 Cb -0.15 -2.55 0.04 0.00 -0.52 0.00 0.00 37.83 34.65 1j4r s LYS 47 CO 0.10 0.46 0.44 -0.59 -0.92 0.00 0.00 175.35 174.83 1j4r s PHE 48 N -0.28 -0.34 -0.22 3.18 -0.71 -0.75 -4.97 117.98 113.90 1j4r s PHE 48 Ca 0.02 0.49 -0.08 0.00 -1.04 0.00 0.00 56.93 56.33 1j4r s PHE 48 Cb -0.13 0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.86 1j4r s PHE 48 CO 0.03 -0.50 0.10 1.41 -1.34 0.00 0.00 175.22 174.91 1j4r s MET 49 N -1.60 3.90 0.29 1.99 1.75 -1.26 -0.11 119.30 124.26 1j4r s MET 49 Ca -0.11 -0.36 -0.30 0.00 -1.25 0.00 0.00 55.69 53.67 1j4r s MET 49 Cb -0.03 -3.35 -0.11 0.00 2.84 0.00 0.00 34.83 34.19 1j4r s MET 49 CO 0.04 0.06 1.51 -0.51 -0.65 0.00 0.00 175.02 175.47 1j4r s LEU 50 N 0.98 4.36 0.00 4.11 1.43 -1.17 -3.09 118.68 125.29 1j4r s LEU 50 Ca 0.05 2.84 0.00 0.00 -1.03 0.00 0.00 54.13 55.99 1j4r s LEU 50 Cb -0.14 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1j4r s LEU 50 CO 0.03 -0.81 0.00 0.61 0.23 0.00 0.00 176.35 176.41 1j4r n GLY 51 N 1.94 0.97 0.69 -3.19 0.00 -1.26 -3.65 105.19 100.69 1j4r n GLY 51 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.00 1.94 -3.72 1.61 4.76 -1.18 -4.94 118.16 114.64 1j4r n LYS 52 Ca 0.00 -1.38 -0.28 0.00 -2.87 0.00 0.00 58.31 53.78 1j4r n LYS 52 Cb 0.00 -1.47 0.02 0.00 -1.84 0.00 0.00 35.03 31.75 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 0.65 -5.23 -0.10 1.97 6.02 -1.26 -4.87 117.38 114.55 1j4r n GLN 53 Ca 0.17 0.62 0.11 0.00 -0.01 0.00 0.00 57.00 57.89 1j4r n GLN 53 Cb 0.45 -5.49 0.32 0.00 1.02 0.00 0.00 30.24 26.54 1j4r n GLN 53 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1j4r n GLU 54 N -4.48 1.97 -4.23 -1.09 0.28 -1.26 -4.93 120.64 106.90 1j4r n GLU 54 Ca 0.02 -1.46 -0.13 0.00 -0.16 0.00 0.00 57.16 55.43 1j4r n GLU 54 Cb 0.54 -1.43 -0.10 0.00 1.43 0.00 0.00 31.44 31.87 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 -1.73 0.48 0.61 3.84 -7.23 -1.26 -5.09 120.40 110.02 1j4r s VAL 55 Ca 0.34 -1.97 -0.19 0.00 -1.81 0.00 0.00 61.98 58.35 1j4r s VAL 55 Cb 0.19 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 1j4r s VAL 55 CO 0.28 -0.35 1.11 2.30 -0.31 0.00 0.00 175.10 178.13 1j4r n ILE 56 N -0.25 4.13 -0.34 -0.62 -5.35 -1.26 -4.68 119.36 111.00 1j4r n ILE 56 Ca -0.04 -0.50 0.14 0.00 -0.27 0.00 0.00 62.75 62.08 1j4r n ILE 56 Cb 0.64 -1.31 0.36 0.00 -1.74 0.00 0.00 39.64 37.59 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 0.59 0.67 -0.71 6.28 2.43 -1.86 -1.28 114.38 120.50 1j4r h ARG 57 Ca -0.49 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1j4r h ARG 57 Cb 1.35 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 1j4r h ARG 57 CO 0.52 0.44 0.43 0.78 -1.51 0.00 0.00 179.97 180.63 1j4r h GLY 58 N 0.69 1.03 0.90 2.80 0.00 -1.59 0.10 103.07 107.01 1j4r h GLY 58 Ca 0.57 -0.43 -0.18 0.00 0.00 0.00 0.00 47.33 47.30 1j4r h GLY 58 CO -0.35 0.41 -0.66 1.49 0.00 0.00 0.00 176.54 177.43 1j4r h TRP 59 N 0.98 0.74 -0.40 5.60 4.06 -1.58 0.29 115.95 125.63 1j4r h TRP 59 Ca 0.26 -0.38 0.08 0.00 2.06 0.00 0.00 58.89 60.91 1j4r h TRP 59 Cb -0.03 -0.09 -0.07 0.00 -1.00 0.00 0.00 29.16 27.96 1j4r h TRP 59 CO 0.00 1.19 -0.04 1.49 -3.56 0.00 0.00 178.44 177.52 1j4r h GLU 60 N 0.08 0.06 0.22 0.49 4.57 -0.88 -1.18 114.58 117.93 1j4r h GLU 60 Ca -0.07 -0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.78 1j4r h GLU 60 Cb 1.34 -0.01 0.03 0.00 -0.16 0.00 0.00 28.75 29.95 1j4r h GLU 60 CO 0.13 0.04 -1.42 0.93 -1.18 0.00 0.00 179.01 177.51 1j4r h GLU 61 N 0.06 0.52 0.08 1.92 5.08 -0.87 -3.23 114.58 118.14 1j4r h GLU 61 Ca 0.20 -0.86 -0.00 0.00 -1.00 0.00 0.00 59.36 57.70 1j4r h GLU 61 Cb 0.29 0.31 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1j4r h GLU 61 CO -0.37 1.41 -0.04 0.78 -1.00 0.00 0.00 179.01 179.79 1j4r h GLY 62 N 0.38 -0.11 2.00 -3.84 0.00 -0.31 -3.23 103.07 97.96 1j4r h GLY 62 Ca -0.23 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 1j4r h GLY 62 CO 0.26 -0.04 -0.20 -2.08 0.00 0.00 0.00 176.54 174.49 1j4r h VAL 63 N -0.62 0.91 0.00 4.60 2.07 -1.41 -2.45 116.25 119.34 1j4r h VAL 63 Ca -0.01 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1j4r h VAL 63 Cb 0.52 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1j4r h VAL 63 CO 0.02 0.19 -0.09 0.00 0.02 0.00 0.00 177.57 177.71 1j4r h ALA 64 N 1.80 1.24 -0.01 1.67 0.00 -1.57 -1.47 119.26 120.93 1j4r h ALA 64 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1j4r h ALA 64 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1j4r h ALA 64 CO 0.03 0.12 -0.20 1.04 0.00 0.00 0.00 179.25 180.23 1j4r n GLN 65 N -3.55 0.79 -3.65 0.00 6.02 -0.92 -4.49 117.38 111.57 1j4r n GLN 65 Ca -0.02 -0.41 -0.32 0.00 -0.01 0.00 0.00 57.00 56.25 1j4r n GLN 65 Cb 0.22 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.94 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 -2.49 3.64 0.12 -1.09 -1.94 -0.56 -5.08 119.30 111.90 1j4r s MET 66 Ca 0.26 -0.04 0.04 0.00 -1.71 0.00 0.00 55.69 54.23 1j4r s MET 66 Cb 0.19 -2.87 -0.04 0.00 2.01 0.00 0.00 34.83 34.12 1j4r s MET 66 CO 0.50 0.48 0.14 -1.54 -0.01 0.00 0.00 175.02 174.60 1j4r s SER 67 N -2.30 5.70 0.03 3.03 1.04 -1.26 -4.15 113.70 115.79 1j4r s SER 67 Ca 0.39 -0.02 -0.37 0.00 0.48 0.00 0.00 55.95 56.44 1j4r s SER 67 Cb -0.12 -1.56 -0.16 0.00 0.10 0.00 0.00 66.02 64.27 1j4r s SER 67 CO 0.23 0.11 1.44 0.52 0.98 0.00 0.00 173.24 176.52 1j4r n VAL 68 N -0.04 0.06 0.00 5.02 0.31 -0.51 -1.28 118.33 121.89 1j4r n VAL 68 Ca -0.08 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1j4r n VAL 68 Cb 0.53 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 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 2.92 1.26 3.77 2.92 0.00 0.16 -1.63 105.19 114.59 1j4r n GLY 69 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.77 4.15 -0.09 1.61 0.74 -0.41 -4.37 119.66 120.52 1j4r s GLN 70 Ca 0.00 1.68 0.03 0.00 0.05 0.00 0.00 55.36 57.12 1j4r s GLN 70 Cb 0.00 -2.65 0.01 0.00 1.10 0.00 0.00 33.01 31.47 1j4r s GLN 70 CO 0.00 -0.19 -0.16 0.50 -0.55 0.00 0.00 175.29 174.88 1j4r s ARG 71 N -2.32 2.21 0.16 1.67 3.52 0.11 -1.04 118.95 123.26 1j4r s ARG 71 Ca 0.56 -0.58 -0.12 0.00 -0.13 0.00 0.00 55.73 55.46 1j4r s ARG 71 Cb -0.27 -1.78 0.01 0.00 -1.56 0.00 0.00 34.95 31.35 1j4r s ARG 71 CO 0.33 0.04 0.35 0.00 -0.81 0.00 0.00 175.30 175.21 1j4r s ALA 72 N 0.68 -0.42 -0.27 6.12 0.00 0.48 0.73 121.76 129.07 1j4r s ALA 72 Ca -0.13 -0.55 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 1j4r s ALA 72 Cb -0.16 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 1j4r s ALA 72 CO 0.04 -0.67 0.13 0.21 0.00 0.00 0.00 175.76 175.47 1j4r s LYS 73 N -3.90 3.66 -0.31 0.00 2.20 0.21 -0.42 119.74 121.18 1j4r s LYS 73 Ca 0.11 -0.49 -0.11 0.00 -0.36 0.00 0.00 55.97 55.12 1j4r s LYS 73 Cb 0.02 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.83 1j4r s LYS 73 CO -0.04 -0.24 0.19 -0.51 -0.36 0.00 0.00 175.35 174.39 1j4r s LEU 74 N 1.66 4.21 -0.35 5.43 1.02 0.18 -0.11 118.68 130.72 1j4r s LEU 74 Ca 0.06 -0.32 -0.08 0.00 0.02 0.00 0.00 54.13 53.81 1j4r s LEU 74 Cb -0.16 -2.09 0.03 0.00 0.02 0.00 0.00 46.19 44.00 1j4r s LEU 74 CO 0.07 -0.16 0.14 -0.89 0.02 0.00 0.00 176.35 175.53 1j4r s THR 75 N 1.70 4.09 -0.22 5.49 2.01 0.42 -0.45 115.64 128.68 1j4r s THR 75 Ca 0.06 -1.02 -0.06 0.00 0.31 0.00 0.00 61.69 60.97 1j4r s THR 75 Cb -0.17 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 1j4r s THR 75 CO 0.09 -0.20 0.03 -0.63 -0.69 0.00 0.00 174.62 173.22 1j4r s ILE 76 N 1.46 4.15 0.74 1.82 1.01 0.68 -1.02 121.20 130.04 1j4r s ILE 76 Ca -0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 60.65 60.29 1j4r s ILE 76 Cb -0.19 -2.90 0.04 0.00 0.01 0.00 0.00 42.46 39.42 1j4r s ILE 76 CO 0.04 0.40 1.11 -0.94 0.00 0.00 0.00 174.94 175.55 1j4r s SER 77 N 1.18 4.56 0.53 3.58 1.04 0.16 -0.95 113.70 123.80 1j4r s SER 77 Ca 0.04 1.95 0.22 0.00 0.48 0.00 0.00 55.95 58.63 1j4r s SER 77 Cb -0.14 -2.54 1.38 0.00 0.10 0.00 0.00 66.02 64.82 1j4r s SER 77 CO 0.02 -2.00 2.09 1.55 0.98 0.00 0.00 173.24 175.87 1j4r h PRO 78 N -0.73 0.00 0.00 4.02 0.13 -1.86 -1.25 132.00 132.31 1j4r h PRO 78 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.51 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.88 1j4r n ASP 79 N -4.37 0.69 -1.12 1.44 5.75 -1.26 0.21 116.55 117.88 1j4r n ASP 79 Ca 0.03 0.65 0.08 0.00 -0.01 0.00 0.00 54.79 55.54 1j4r n ASP 79 Cb 0.33 -0.81 0.27 0.00 -1.03 0.00 0.00 41.12 39.88 1j4r n ASP 79 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1j4r n TYR 80 N -2.24 1.04 0.00 2.11 4.02 -0.48 -4.85 117.16 116.76 1j4r n TYR 80 Ca 0.03 -0.65 0.00 0.00 -0.01 0.00 0.00 57.90 57.27 1j4r n TYR 80 Cb 0.25 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 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 0.51 0.00 -0.01 -0.72 0.00 -0.50 -1.46 120.51 118.33 1j4r n ALA 81 Ca 0.20 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.72 1j4r n ALA 81 Cb 0.76 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.37 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 0.46 -4.21 0.00 4.01 -1.11 -4.82 117.16 111.49 1j4r n TYR 82 Ca 0.00 -0.37 0.00 0.00 -0.16 0.00 0.00 57.90 57.37 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 0.85 1.00 0.31 2.72 0.00 0.13 -2.12 105.19 108.09 1j4r n GLY 83 Ca 0.14 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.84 -0.42 0.00 4.61 0.00 -1.96 -2.19 119.26 118.46 1j4r h ALA 84 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1j4r h ALA 84 Cb 0.00 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1j4r h ALA 84 CO 0.00 -0.80 -0.82 1.15 0.00 0.00 0.00 179.25 178.78 1j4r h THR 85 N -0.45 0.97 -0.11 0.00 2.02 -1.92 -2.51 112.91 110.91 1j4r h THR 85 Ca 0.06 -2.44 0.00 0.00 0.77 0.00 0.00 66.41 64.80 1j4r h THR 85 Cb 0.53 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 1j4r h THR 85 CO -0.23 0.55 0.00 0.61 0.37 0.00 0.00 175.52 176.82 1j4r n GLY 86 N 1.29 -1.07 2.81 2.16 0.00 -0.90 -3.75 105.19 105.72 1j4r n GLY 86 Ca -0.01 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 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 2.44 -0.48 1.61 5.04 0.78 -4.92 115.29 119.77 1j4r s HIS 87 Ca 0.00 -2.67 -0.45 0.00 -1.54 0.00 0.00 55.06 50.40 1j4r s HIS 87 Cb 0.00 -2.24 -0.19 0.00 0.04 0.00 0.00 32.58 30.19 1j4r s HIS 87 CO 0.00 -0.78 1.55 -2.30 -2.34 0.00 0.00 174.74 170.87 1j4r n PRO 88 N 3.48 0.00 0.00 2.88 -0.02 -1.26 -0.93 135.00 139.16 1j4r n PRO 88 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1j4r n PRO 88 Cb 0.34 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 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 3.96 2.23 0.49 -1.23 0.00 -1.26 -4.82 105.19 104.56 1j4r n GLY 89 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.42 0.00 -4.02 -0.61 3.06 -0.12 -5.06 119.36 112.19 1j4r n ILE 90 Ca 0.00 0.00 -0.34 0.00 -2.50 0.00 0.00 62.75 59.91 1j4r n ILE 90 Cb 0.00 -0.31 -0.15 0.00 0.54 0.00 0.00 39.64 39.73 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 -1.47 2.57 0.97 9.51 -1.09 -0.10 -4.93 121.20 126.65 1j4r s ILE 91 Ca 0.00 -1.07 -0.12 0.00 -2.23 0.00 0.00 60.65 57.23 1j4r s ILE 91 Cb 0.00 -2.27 0.17 0.00 -1.58 0.00 0.00 42.46 38.78 1j4r s ILE 91 CO 0.00 0.27 1.09 -2.84 -1.23 0.00 0.00 174.94 172.22 1j4r s PRO 92 N 1.29 0.68 0.41 2.79 0.02 -1.26 -0.15 135.00 138.78 1j4r s PRO 92 Ca 0.00 0.87 -0.26 0.00 0.02 0.00 0.00 61.00 61.63 1j4r s PRO 92 Cb -0.16 -1.74 -0.09 0.00 0.02 0.00 0.00 34.50 32.53 1j4r s PRO 92 CO -0.07 -2.65 1.38 -1.25 -0.33 0.00 0.00 177.00 174.08 1j4r s PRO 93 N -4.81 3.91 -1.52 5.54 0.04 -1.25 -3.14 135.00 133.77 1j4r s PRO 93 Ca 0.65 2.33 -0.06 0.00 0.04 0.00 0.00 61.00 63.95 1j4r s PRO 93 Cb -0.20 -2.77 0.05 0.00 0.04 0.00 0.00 34.50 31.62 1j4r s PRO 93 CO 0.59 -0.60 0.51 0.72 0.04 0.00 0.00 177.00 178.26 1j4r n HIS 94 N 0.10 -1.66 -3.03 0.56 8.25 -0.83 -4.91 115.22 113.70 1j4r n HIS 94 Ca 0.04 0.76 -0.40 0.00 -0.26 0.00 0.00 57.72 57.85 1j4r n HIS 94 Cb 0.42 -3.40 -0.05 0.00 1.12 0.00 0.00 29.99 28.08 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 -3.76 3.45 -0.10 -1.41 0.00 -1.19 -4.77 121.76 113.99 1j4r s ALA 95 Ca 0.26 -0.02 -0.24 0.00 0.00 0.00 0.00 51.96 51.96 1j4r s ALA 95 Cb -0.14 -3.03 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 1j4r s ALA 95 CO 0.91 -0.38 0.72 0.99 0.00 0.00 0.00 175.76 178.00 1j4r s THR 96 N 1.49 5.01 -0.13 0.00 2.01 -1.26 -3.47 115.64 119.29 1j4r s THR 96 Ca 0.35 1.46 -0.04 0.00 0.31 0.00 0.00 61.69 63.76 1j4r s THR 96 Cb -0.17 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 1j4r s THR 96 CO 0.14 0.20 0.03 -0.76 -0.69 0.00 0.00 174.62 173.54 1j4r s LEU 97 N 1.16 3.70 -0.29 4.42 1.43 -0.13 -3.85 118.68 125.13 1j4r s LEU 97 Ca 0.37 0.13 -0.00 0.00 -1.03 0.00 0.00 54.13 53.59 1j4r s LEU 97 Cb -0.17 -1.89 0.05 0.00 0.03 0.00 0.00 46.19 44.22 1j4r s LEU 97 CO 0.16 0.29 -0.02 -0.69 0.23 0.00 0.00 176.35 176.32 1j4r s VAL 98 N -0.36 2.76 -0.17 -1.59 1.01 0.35 -0.23 120.40 122.18 1j4r s VAL 98 Ca 0.08 -1.49 -0.04 0.00 0.00 0.00 0.00 61.98 60.53 1j4r s VAL 98 Cb -0.12 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1j4r s VAL 98 CO 0.02 -0.11 -0.04 -0.36 0.00 0.00 0.00 175.10 174.61 1j4r s PHE 99 N 1.20 3.01 -0.46 5.22 0.40 0.40 -0.29 117.98 127.46 1j4r s PHE 99 Ca -0.06 -0.38 -0.21 0.00 -0.60 0.00 0.00 56.93 55.69 1j4r s PHE 99 Cb -0.20 -1.98 0.03 0.00 0.51 0.00 0.00 43.02 41.38 1j4r s PHE 99 CO -0.02 -0.11 0.66 0.34 0.70 0.00 0.00 175.22 176.79 1j4r s ASP 100 N 0.54 6.30 -0.03 1.36 -1.08 0.34 -0.64 116.67 123.46 1j4r s ASP 100 Ca -0.03 -0.46 0.07 0.00 -0.52 0.00 0.00 52.55 51.60 1j4r s ASP 100 Cb -0.14 -2.32 -0.02 0.00 -1.46 0.00 0.00 42.92 38.97 1j4r s ASP 100 CO 0.03 -0.83 -0.23 -0.69 0.52 0.00 0.00 175.17 173.96 1j4r s VAL 101 N 2.86 2.33 -0.12 1.11 1.01 0.44 -1.71 120.40 126.32 1j4r s VAL 101 Ca 0.22 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1j4r s VAL 101 Cb -0.15 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.41 1j4r s VAL 101 CO 0.18 0.58 -0.11 -0.70 0.00 0.00 0.00 175.10 175.04 1j4r s GLU 102 N -0.61 1.90 -0.74 2.72 2.12 -0.13 -0.39 118.70 123.57 1j4r s GLU 102 Ca 0.10 -0.42 -0.25 0.00 0.36 0.00 0.00 54.97 54.76 1j4r s GLU 102 Cb -0.10 -1.77 0.05 0.00 0.26 0.00 0.00 34.13 32.56 1j4r s GLU 102 CO -0.00 -0.19 1.18 -1.17 -0.54 0.00 0.00 175.26 174.54 1j4r s LEU 103 N 1.39 3.65 0.03 2.70 2.96 -0.20 -1.95 118.68 127.26 1j4r s LEU 103 Ca 0.01 -0.74 -0.23 0.00 -0.22 0.00 0.00 54.13 52.95 1j4r s LEU 103 Cb -0.13 -2.51 -0.16 0.00 0.50 0.00 0.00 46.19 43.89 1j4r s LEU 103 CO -0.06 -1.66 1.40 -0.07 -1.32 0.00 0.00 176.35 174.63 1j4r h LEU 104 N 12.37 0.16 -7.60 -0.68 3.38 -1.12 0.44 115.31 122.27 1j4r h LEU 104 Ca -0.24 -0.38 0.20 0.00 0.09 0.00 0.00 57.88 57.55 1j4r h LEU 104 Cb 1.05 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.67 1j4r h LEU 104 CO 1.25 0.51 0.53 -1.59 0.09 0.00 0.00 178.44 179.23 1j4r s LYS 105 N -4.68 1.08 -0.11 1.13 -2.85 -1.17 -4.44 119.74 108.70 1j4r s LYS 105 Ca -0.15 -0.59 0.03 0.00 -1.00 0.00 0.00 55.97 54.26 1j4r s LYS 105 Cb 0.04 0.37 -0.00 0.00 -2.06 0.00 0.00 37.83 36.18 1j4r s LYS 105 CO 0.70 -0.49 -0.22 -0.51 0.10 0.00 0.00 175.35 174.93 1j4r s LEU 106 N -2.95 2.22 0.00 2.77 1.43 -1.26 -1.66 118.68 119.23 1j4r s LEU 106 Ca 0.12 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1j4r s LEU 106 Cb -0.00 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.76 1j4r s LEU 106 CO 0.01 0.16 0.42 -0.62 0.23 0.00 0.00 176.35 176.55