#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxb s GLN 4 N 0.00 2.52 -0.16 1.97 -0.21 -1.26 -4.58 119.66 117.93 1jxb s GLN 4 Ca 0.00 -1.07 -0.05 0.00 0.02 0.00 0.00 55.36 54.26 1jxb s GLN 4 Cb 0.00 -2.41 -0.03 0.00 1.00 0.00 0.00 33.01 31.57 1jxb s GLN 4 CO 0.00 0.45 -0.01 0.08 -2.12 0.00 0.00 175.29 173.70 1jxb s VAL 5 N -1.78 4.18 -0.20 1.09 1.01 0.10 -4.49 120.40 120.30 1jxb s VAL 5 Ca 0.29 -0.26 -0.09 0.00 0.00 0.00 0.00 61.98 61.92 1jxb s VAL 5 Cb -0.09 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 1jxb s VAL 5 CO 0.20 0.49 0.11 -1.61 0.00 0.00 0.00 175.10 174.29 1jxb s GLU 6 N 0.31 4.06 -0.02 2.72 2.02 0.36 -1.10 118.70 127.05 1jxb s GLU 6 Ca -0.01 -0.29 0.06 0.00 0.02 0.00 0.00 54.97 54.75 1jxb s GLU 6 Cb -0.13 -3.37 -0.01 0.00 0.10 0.00 0.00 34.13 30.71 1jxb s GLU 6 CO 0.02 0.22 -0.21 0.42 0.02 0.00 0.00 175.26 175.73 1jxb s ILE 7 N 0.57 1.64 -0.07 -1.63 1.01 0.39 0.27 121.20 123.36 1jxb s ILE 7 Ca 0.06 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.83 1jxb s ILE 7 Cb -0.12 -1.36 0.03 0.00 0.01 0.00 0.00 42.46 41.01 1jxb s ILE 7 CO 0.00 0.46 -0.02 -0.36 0.00 0.00 0.00 174.94 175.03 1jxb s PHE 8 N -0.44 0.80 0.13 3.97 0.08 -0.13 -0.21 117.98 122.18 1jxb s PHE 8 Ca 0.07 -0.25 0.06 0.00 0.12 0.00 0.00 56.93 56.92 1jxb s PHE 8 Cb -0.08 -0.82 -0.04 0.00 -0.57 0.00 0.00 43.02 41.51 1jxb s PHE 8 CO -0.00 -0.31 -0.13 0.95 -0.10 0.00 0.00 175.22 175.62 1jxb s THR 9 N 1.64 1.32 0.08 0.64 -4.23 -0.86 -1.10 115.64 113.12 1jxb s THR 9 Ca 0.00 -1.78 -0.22 0.00 -1.18 0.00 0.00 61.69 58.52 1jxb s THR 9 Cb -0.13 -1.59 0.05 0.00 1.34 0.00 0.00 72.50 72.18 1jxb s THR 9 CO -0.04 -0.47 0.52 -0.62 -0.54 0.00 0.00 174.62 173.47 1jxb s ASP 10 N -2.58 -0.44 0.03 3.99 3.68 -0.34 -4.41 116.67 116.60 1jxb s ASP 10 Ca 0.10 0.07 -0.03 0.00 2.13 0.00 0.00 52.55 54.83 1jxb s ASP 10 Cb -0.04 0.51 -0.02 0.00 -1.45 0.00 0.00 42.92 41.93 1jxb s ASP 10 CO 0.03 -0.79 0.02 -0.83 0.13 0.00 0.00 175.17 173.73 1jxb s GLY 11 N -2.26 0.27 -0.03 2.66 0.00 -1.26 -1.13 107.32 105.57 1jxb s GLY 11 Ca -0.03 -0.73 -0.15 0.00 0.00 0.00 0.00 44.72 43.81 1jxb s GLY 11 CO -0.06 -0.84 0.33 -0.45 0.00 0.00 0.00 173.10 172.09 1jxb s SER 12 N -2.10 -0.23 0.04 1.64 0.15 -0.33 -4.47 113.70 108.39 1jxb s SER 12 Ca -0.06 0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.79 1jxb s SER 12 Cb -0.02 0.36 -0.02 0.00 -1.71 0.00 0.00 66.02 64.63 1jxb s SER 12 CO -0.05 -0.43 -0.06 0.00 1.20 0.00 0.00 173.24 173.91 1jxb s ALA 13 N -1.18 0.44 -2.27 5.45 0.00 -1.26 -0.73 121.76 122.22 1jxb s ALA 13 Ca -0.12 -0.74 0.28 0.00 0.00 0.00 0.00 51.96 51.37 1jxb s ALA 13 Cb -0.05 0.09 1.03 0.00 0.00 0.00 0.00 23.12 24.19 1jxb s ALA 13 CO 0.04 -0.08 1.73 1.28 0.00 0.00 0.00 175.76 178.73 1jxb n LEU 14 N 1.42 1.27 0.00 0.00 4.77 0.53 -4.76 117.00 120.24 1jxb n LEU 14 Ca -0.23 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 1jxb n LEU 14 Cb 0.55 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1jxb n LEU 14 CO 0.21 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1jxb n GLY 15 N 1.21 3.24 2.61 -0.72 0.00 -1.26 -4.86 105.19 105.41 1jxb n GLY 15 Ca 0.17 -1.30 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 1jxb n GLY 15 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jxb n ASN 16 N -1.64 2.43 -4.59 1.61 4.05 -1.26 -3.32 115.26 112.54 1jxb n ASN 16 Ca 0.00 -2.73 -0.26 0.00 0.45 0.00 0.00 54.58 52.03 1jxb n ASN 16 Cb 0.00 -0.47 -0.09 0.00 1.23 0.00 0.00 39.78 40.45 1jxb n ASN 16 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1jxb s PRO 17 N -3.51 2.14 0.25 1.20 0.04 -1.26 -5.09 135.00 128.78 1jxb s PRO 17 Ca 0.33 -1.26 -0.10 0.00 0.04 0.00 0.00 61.00 60.02 1jxb s PRO 17 Cb 0.39 -2.19 0.04 0.00 0.04 0.00 0.00 34.50 32.78 1jxb s PRO 17 CO -0.02 0.43 0.51 0.41 0.04 0.00 0.00 177.00 178.37 1jxb n GLY 18 N -0.10 1.34 3.76 0.56 0.00 -0.57 -4.84 105.19 105.34 1jxb n GLY 18 Ca -0.10 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 1jxb n GLY 18 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jxb n PRO 19 N -0.34 2.68 -3.71 1.61 -0.02 -1.12 -0.82 135.00 133.27 1jxb n PRO 19 Ca -0.06 0.94 -0.13 0.00 -2.02 0.00 0.00 63.50 62.24 1jxb n PRO 19 Cb 0.38 -2.69 -0.03 0.00 -0.02 0.00 0.00 33.50 31.14 1jxb n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jxb n GLY 20 N 1.00 2.23 3.78 -1.23 0.00 -0.62 -0.35 105.19 110.00 1jxb n GLY 20 Ca 0.04 -1.59 -0.03 0.00 0.00 0.00 0.00 46.02 44.43 1jxb n GLY 20 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jxb s GLY 21 N -2.93 -0.15 0.33 -0.02 0.00 0.09 -0.11 107.32 104.54 1jxb s GLY 21 Ca 0.26 0.02 0.07 0.00 0.00 0.00 0.00 44.72 45.06 1jxb s GLY 21 CO 0.19 0.49 -0.02 -2.52 0.00 0.00 0.00 173.10 171.23 1jxb s TYR 22 N -2.99 2.16 -0.07 1.90 -0.85 -0.79 -1.19 117.35 115.52 1jxb s TYR 22 Ca 0.14 -0.72 -0.03 0.00 -0.52 0.00 0.00 57.07 55.94 1jxb s TYR 22 Cb -0.01 -1.35 0.04 0.00 0.38 0.00 0.00 41.96 41.01 1jxb s TYR 22 CO 0.03 0.31 0.16 0.20 -1.52 0.00 0.00 175.55 174.73 1jxb s GLY 23 N -3.54 -0.05 -0.01 5.49 0.00 -0.29 -3.17 107.32 105.75 1jxb s GLY 23 Ca 0.33 0.72 0.01 0.00 0.00 0.00 0.00 44.72 45.78 1jxb s GLY 23 CO 0.15 1.02 -0.01 0.00 0.00 0.00 0.00 173.10 174.26 1jxb s ALA 24 N 1.15 0.23 -0.10 3.20 0.00 -0.18 -1.20 121.76 124.85 1jxb s ALA 24 Ca -0.09 0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.94 1jxb s ALA 24 Cb -0.11 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1jxb s ALA 24 CO -0.06 -0.01 -0.17 0.42 0.00 0.00 0.00 175.76 175.93 1jxb s ILE 25 N 0.46 1.61 -0.10 0.00 1.01 -0.26 -0.67 121.20 123.25 1jxb s ILE 25 Ca -0.04 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.90 1jxb s ILE 25 Cb -0.07 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 1jxb s ILE 25 CO -0.01 0.46 -0.17 -0.76 0.00 0.00 0.00 174.94 174.46 1jxb s LEU 26 N 0.79 2.51 -0.07 2.97 1.43 0.21 -0.95 118.68 125.57 1jxb s LEU 26 Ca -0.10 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1jxb s LEU 26 Cb -0.16 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.54 1jxb s LEU 26 CO 0.01 0.20 -0.12 -0.60 0.23 0.00 0.00 176.35 176.08 1jxb s ARG 27 N 0.12 1.70 -0.16 1.70 3.52 0.14 -1.02 118.95 124.95 1jxb s ARG 27 Ca -0.08 -0.40 -0.10 0.00 -0.13 0.00 0.00 55.73 55.02 1jxb s ARG 27 Cb -0.15 -1.44 0.05 0.00 -1.56 0.00 0.00 34.95 31.85 1jxb s ARG 27 CO 0.05 -0.00 0.39 -0.47 -0.81 0.00 0.00 175.30 174.46 1jxb s TYR 28 N 0.77 -0.54 -1.38 5.12 6.14 -0.12 -0.49 117.35 126.85 1jxb s TYR 28 Ca -0.12 1.19 -0.02 0.00 0.64 0.00 0.00 57.07 58.75 1jxb s TYR 28 Cb -0.15 0.22 0.02 0.00 0.42 0.00 0.00 41.96 42.46 1jxb s TYR 28 CO 0.02 -0.30 0.66 -2.13 0.64 0.00 0.00 175.55 174.44 1jxb n ARG 29 N 3.94 -4.47 -0.65 4.97 3.00 -1.26 -1.28 116.66 120.90 1jxb n ARG 29 Ca -0.21 0.55 0.00 0.00 -0.00 0.00 0.00 57.85 58.18 1jxb n ARG 29 Cb 0.55 -5.03 0.00 0.00 0.00 0.00 0.00 32.46 27.99 1jxb n ARG 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jxb n GLY 30 N -1.70 0.43 3.63 5.14 0.00 -1.26 -4.99 105.19 106.43 1jxb n GLY 30 Ca -0.25 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 1jxb n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jxb s ARG 31 N -0.58 2.25 0.12 1.61 3.00 -0.41 -5.13 118.95 119.81 1jxb s ARG 31 Ca 0.00 -1.37 0.08 0.00 0.00 0.00 0.00 55.73 54.44 1jxb s ARG 31 Cb 0.00 -2.17 -0.04 0.00 0.00 0.00 0.00 34.95 32.74 1jxb s ARG 31 CO 0.00 0.38 -0.20 -1.21 0.00 0.00 0.00 175.30 174.28 1jxb s GLU 32 N -3.47 1.15 0.01 3.54 2.02 -1.26 -0.94 118.70 119.74 1jxb s GLU 32 Ca 0.30 -1.22 0.04 0.00 0.02 0.00 0.00 54.97 54.11 1jxb s GLU 32 Cb -0.07 -1.34 -0.01 0.00 0.10 0.00 0.00 34.13 32.81 1jxb s GLU 32 CO 0.19 0.30 -0.13 0.21 0.02 0.00 0.00 175.26 175.85 1jxb s LYS 33 N -2.15 0.93 -0.03 1.61 2.47 -0.19 -4.99 119.74 117.39 1jxb s LYS 33 Ca 0.08 -0.58 0.06 0.00 -1.56 0.00 0.00 55.97 53.98 1jxb s LYS 33 Cb -0.09 -0.91 -0.01 0.00 -1.46 0.00 0.00 37.83 35.36 1jxb s LYS 33 CO 0.05 0.24 -0.23 0.99 0.16 0.00 0.00 175.35 176.56 1jxb s THR 34 N -0.56 1.81 -0.03 3.43 2.01 -1.26 -0.62 115.64 120.41 1jxb s THR 34 Ca 0.03 -0.96 0.04 0.00 0.31 0.00 0.00 61.69 61.10 1jxb s THR 34 Cb -0.06 -1.51 -0.00 0.00 0.01 0.00 0.00 72.50 70.94 1jxb s THR 34 CO 0.00 0.51 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.95 1jxb s PHE 35 N -0.37 1.36 -0.23 4.92 0.08 0.16 -5.00 117.98 118.91 1jxb s PHE 35 Ca 0.04 -0.36 -0.20 0.00 0.12 0.00 0.00 56.93 56.53 1jxb s PHE 35 Cb -0.10 -0.93 0.06 0.00 -0.57 0.00 0.00 43.02 41.48 1jxb s PHE 35 CO 0.01 -0.13 0.60 0.45 -0.10 0.00 0.00 175.22 176.05 1jxb s SER 36 N 0.09 -0.65 -0.03 1.36 0.15 -1.26 -1.01 113.70 112.34 1jxb s SER 36 Ca -0.03 1.23 -0.16 0.00 0.70 0.00 0.00 55.95 57.68 1jxb s SER 36 Cb -0.10 1.22 0.03 0.00 -1.71 0.00 0.00 66.02 65.46 1jxb s SER 36 CO 0.01 -0.21 0.35 0.00 1.20 0.00 0.00 173.24 174.59 1jxb s ALA 37 N 0.51 -0.90 0.03 5.45 0.00 -1.19 -5.00 121.76 120.66 1jxb s ALA 37 Ca -0.01 0.48 0.08 0.00 0.00 0.00 0.00 51.96 52.51 1jxb s ALA 37 Cb -0.05 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 1jxb s ALA 37 CO -0.02 -0.27 -0.24 0.20 0.00 0.00 0.00 175.76 175.44 1jxb s GLY 38 N -1.20 1.44 0.01 0.00 0.00 -1.26 -1.88 107.32 104.43 1jxb s GLY 38 Ca -0.12 -1.22 0.07 0.00 0.00 0.00 0.00 44.72 43.45 1jxb s GLY 38 CO 0.05 -1.10 -0.21 -0.19 0.00 0.00 0.00 173.10 171.65 1jxb s TYR 39 N -0.81 2.48 0.24 1.90 1.51 0.85 -1.37 117.35 122.15 1jxb s TYR 39 Ca 0.12 -0.31 -0.01 0.00 -1.01 0.00 0.00 57.07 55.86 1jxb s TYR 39 Cb -0.10 -1.48 0.28 0.00 -0.11 0.00 0.00 41.96 40.54 1jxb s TYR 39 CO 0.02 0.15 1.66 1.79 -1.11 0.00 0.00 175.55 178.07 1jxb h THR 40 N 4.19 1.27 -1.95 -0.71 1.35 -1.43 -1.66 112.91 113.97 1jxb h THR 40 Ca -0.46 -1.32 -0.17 0.00 -0.55 0.00 0.00 66.41 63.91 1jxb h THR 40 Cb 1.14 1.28 -0.30 0.00 -1.73 0.00 0.00 68.15 68.55 1jxb h THR 40 CO 0.47 0.43 -0.50 -0.60 -0.25 0.00 0.00 175.52 175.07 1jxb s ARG 41 N -4.54 0.33 0.00 4.72 3.52 -1.26 -2.81 118.95 118.92 1jxb s ARG 41 Ca -0.08 0.48 0.00 0.00 -0.13 0.00 0.00 55.73 56.00 1jxb s ARG 41 Cb 0.13 -0.55 0.00 0.00 -1.56 0.00 0.00 34.95 32.97 1jxb s ARG 41 CO 0.82 -0.66 0.00 -2.37 -0.81 0.00 0.00 175.30 172.28 1jxb n THR 42 N 5.36 0.00 -4.26 4.11 5.66 -0.00 -4.52 114.28 120.63 1jxb n THR 42 Ca -0.04 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.82 1jxb n THR 42 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 1jxb n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1jxb s THR 43 N -2.78 0.95 0.17 1.09 -4.23 -1.26 -1.51 115.64 108.07 1jxb s THR 43 Ca 0.00 -2.02 -0.14 0.00 -1.18 0.00 0.00 61.69 58.35 1jxb s THR 43 Cb 0.00 -2.03 0.05 0.00 1.34 0.00 0.00 72.50 71.86 1jxb s THR 43 CO 0.00 -0.58 1.78 0.78 -0.54 0.00 0.00 174.62 176.07 1jxb h ASN 44 N 2.70 0.33 -0.77 3.99 2.35 -1.85 -1.52 115.58 120.80 1jxb h ASN 44 Ca -0.37 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.39 1jxb h ASN 44 Cb 1.20 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 39.50 1jxb h ASN 44 CO 0.64 0.23 0.44 0.78 -1.65 0.00 0.00 177.43 177.87 1jxb h ASN 45 N 0.45 0.95 -0.64 5.81 -0.26 -1.96 0.10 115.58 120.03 1jxb h ASN 45 Ca 0.19 -0.09 -0.05 0.00 -0.56 0.00 0.00 56.30 55.80 1jxb h ASN 45 Cb 0.10 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 37.09 1jxb h ASN 45 CO -0.14 0.76 0.20 0.03 -1.06 0.00 0.00 177.43 177.22 1jxb h ARG 46 N 1.06 0.99 -0.48 0.81 3.08 -1.87 -1.87 114.38 116.10 1jxb h ARG 46 Ca 0.27 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 60.00 1jxb h ARG 46 Cb 0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1jxb h ARG 46 CO -0.05 0.87 -0.14 0.52 -1.07 0.00 0.00 179.97 180.11 1jxb h MET 47 N 0.92 0.92 -0.78 0.04 2.86 -0.69 0.12 114.93 118.32 1jxb h MET 47 Ca 0.21 -0.34 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1jxb h MET 47 Cb 0.29 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 1jxb h MET 47 CO -0.01 0.99 0.51 0.93 1.06 0.00 0.00 176.91 180.40 1jxb h GLU 48 N 0.82 1.03 -0.16 1.72 5.08 -0.82 -1.42 114.58 120.83 1jxb h GLU 48 Ca 0.13 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 1jxb h GLU 48 Cb 0.68 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1jxb h GLU 48 CO 0.05 0.69 -0.48 1.25 -1.00 0.00 0.00 179.01 179.52 1jxb h LEU 49 N 1.06 0.70 -1.11 1.33 6.46 -1.18 -3.23 115.31 119.34 1jxb h LEU 49 Ca 0.28 -0.59 -0.00 0.00 -0.12 0.00 0.00 57.88 57.45 1jxb h LEU 49 Cb -0.11 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.58 1jxb h LEU 49 CO -0.06 1.17 0.52 -0.03 -0.62 0.00 0.00 178.44 179.42 1jxb h MET 50 N 0.27 1.13 -0.60 1.25 4.05 -0.66 -1.76 114.93 118.60 1jxb h MET 50 Ca -0.02 -0.09 0.04 0.00 -0.28 0.00 0.00 59.70 59.36 1jxb h MET 50 Cb 1.11 -0.24 -0.05 0.00 -0.80 0.00 0.00 31.60 31.62 1jxb h MET 50 CO 0.10 0.78 0.34 0.00 0.23 0.00 0.00 176.91 178.36 1jxb h ALA 51 N 1.42 0.79 -0.27 0.39 0.00 -1.27 0.79 119.26 121.11 1jxb h ALA 51 Ca 0.30 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 1jxb h ALA 51 Cb -0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1jxb h ALA 51 CO -0.06 0.03 -0.24 0.00 0.00 0.00 0.00 179.25 178.98 1jxb h ALA 52 N 1.30 0.40 0.00 0.00 0.00 -1.44 -1.58 119.26 117.94 1jxb h ALA 52 Ca 0.26 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1jxb h ALA 52 Cb 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1jxb h ALA 52 CO -0.15 0.37 -0.08 0.00 0.00 0.00 0.00 179.25 179.39 1jxb h ALA 53 N 0.70 -0.09 -0.78 0.00 0.00 -0.92 -1.64 119.26 116.53 1jxb h ALA 53 Ca 0.05 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1jxb h ALA 53 Cb 0.80 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 1jxb h ALA 53 CO 0.06 -0.57 0.45 0.28 0.00 0.00 0.00 179.25 179.47 1jxb h VAL 54 N -0.14 0.97 -0.57 0.00 2.07 -0.81 -0.44 116.25 117.33 1jxb h VAL 54 Ca 0.03 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 1jxb h VAL 54 Cb 0.18 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1jxb h VAL 54 CO -0.08 0.15 0.08 0.00 0.02 0.00 0.00 177.57 177.74 1jxb h ALA 55 N 1.40 0.76 -0.02 1.67 0.00 -1.11 -2.65 119.26 119.31 1jxb h ALA 55 Ca 0.35 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1jxb h ALA 55 Cb 0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1jxb h ALA 55 CO -0.20 0.52 -0.45 -0.07 0.00 0.00 0.00 179.25 179.05 1jxb h LEU 56 N 0.85 0.04 -1.91 0.00 3.38 -0.93 -2.91 115.31 113.82 1jxb h LEU 56 Ca 0.17 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1jxb h LEU 56 Cb 0.44 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1jxb h LEU 56 CO 0.01 0.49 -0.04 -0.33 0.09 0.00 0.00 178.44 178.67 1jxb h GLU 57 N 0.03 0.00 0.00 1.13 5.08 -0.73 -2.80 114.58 117.29 1jxb h GLU 57 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jxb h GLU 57 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1jxb h GLU 57 CO 0.06 0.04 0.00 0.00 -1.00 0.00 0.00 179.01 178.11 1jxb n ALA 58 N -2.13 2.16 -2.63 3.43 0.00 -1.10 -4.62 120.51 115.62 1jxb n ALA 58 Ca -0.01 -0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 1jxb n ALA 58 Cb 0.24 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 1jxb n ALA 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jxb s LEU 59 N -4.47 3.96 -0.86 0.00 1.43 -1.06 -4.96 118.68 112.72 1jxb s LEU 59 Ca 0.09 1.00 0.01 0.00 -1.03 0.00 0.00 54.13 54.20 1jxb s LEU 59 Cb 0.12 -3.47 0.30 0.00 0.03 0.00 0.00 46.19 43.16 1jxb s LEU 59 CO 0.55 -0.84 1.26 0.29 0.23 0.00 0.00 176.35 177.84 1jxb n LYS 60 N 6.76 3.93 0.00 1.70 4.76 -1.26 -4.91 118.16 129.14 1jxb n LYS 60 Ca 0.11 -4.67 0.00 0.00 -2.87 0.00 0.00 58.31 50.88 1jxb n LYS 60 Cb 0.47 -2.39 0.00 0.00 -1.84 0.00 0.00 35.03 31.28 1jxb n LYS 60 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1jxb n GLU 61 N 0.63 0.00 -1.59 1.97 0.28 -1.26 -5.11 120.64 115.55 1jxb n GLU 61 Ca 0.32 0.00 -0.48 0.00 -0.16 0.00 0.00 57.16 56.85 1jxb n GLU 61 Cb 0.35 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.18 1jxb n GLU 61 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1jxb n HIS 62 N -1.36 1.38 -4.07 -1.84 8.25 -1.26 -4.98 115.22 111.33 1jxb n HIS 62 Ca 0.00 0.66 -0.08 0.00 -0.26 0.00 0.00 57.72 58.04 1jxb n HIS 62 Cb 0.00 -2.29 -0.10 0.00 1.12 0.00 0.00 29.99 28.72 1jxb n HIS 62 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jxb s ALA 63 N -0.32 0.47 -0.32 -1.41 0.00 -1.26 -5.05 121.76 113.87 1jxb s ALA 63 Ca 0.70 -1.10 -0.16 0.00 0.00 0.00 0.00 51.96 51.40 1jxb s ALA 63 Cb -0.81 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 1jxb s ALA 63 CO 0.53 -0.32 0.42 -1.21 0.00 0.00 0.00 175.76 175.18 1jxb s GLU 64 N -3.43 3.71 -0.01 0.00 2.02 -1.26 -1.51 118.70 118.21 1jxb s GLU 64 Ca 0.03 -0.20 0.08 0.00 0.02 0.00 0.00 54.97 54.89 1jxb s GLU 64 Cb 0.04 -3.77 -0.02 0.00 0.10 0.00 0.00 34.13 30.49 1jxb s GLU 64 CO -0.08 -0.50 -0.24 0.08 0.02 0.00 0.00 175.26 174.54 1jxb s VAL 65 N 2.16 1.93 -0.29 2.63 1.01 0.77 -0.72 120.40 127.89 1jxb s VAL 65 Ca 0.15 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 1jxb s VAL 65 Cb -0.16 -1.60 0.03 0.00 0.00 0.00 0.00 36.38 34.65 1jxb s VAL 65 CO 0.12 0.52 0.01 -0.63 0.00 0.00 0.00 175.10 175.12 1jxb s ILE 66 N -0.59 3.21 -0.27 2.22 -1.09 -0.26 -0.75 121.20 123.67 1jxb s ILE 66 Ca 0.09 -1.13 -0.06 0.00 -2.23 0.00 0.00 60.65 57.32 1jxb s ILE 66 Cb -0.09 -2.75 -0.00 0.00 -1.58 0.00 0.00 42.46 38.04 1jxb s ILE 66 CO -0.01 0.01 0.04 -0.22 -1.23 0.00 0.00 174.94 173.53 1jxb s LEU 67 N 1.33 3.52 -0.21 2.97 0.20 0.15 -0.46 118.68 126.17 1jxb s LEU 67 Ca -0.02 -0.54 -0.07 0.00 0.69 0.00 0.00 54.13 54.19 1jxb s LEU 67 Cb -0.18 -1.85 -0.03 0.00 -0.43 0.00 0.00 46.19 43.70 1jxb s LEU 67 CO -0.01 -0.12 0.05 -0.55 -0.29 0.00 0.00 176.35 175.43 1jxb s SER 68 N 1.51 5.30 -0.06 3.68 0.15 0.71 -0.46 113.70 124.53 1jxb s SER 68 Ca 0.04 -0.07 -0.12 0.00 0.70 0.00 0.00 55.95 56.50 1jxb s SER 68 Cb -0.16 -1.92 0.02 0.00 -1.71 0.00 0.00 66.02 62.25 1jxb s SER 68 CO 0.01 0.09 0.29 0.28 1.20 0.00 0.00 173.24 175.11 1jxb s THR 69 N 0.88 0.03 -2.20 6.45 -1.32 -0.58 -2.04 115.64 116.87 1jxb s THR 69 Ca 0.03 -0.26 0.19 0.00 -1.21 0.00 0.00 61.69 60.45 1jxb s THR 69 Cb -0.14 -0.50 0.46 0.00 -1.51 0.00 0.00 72.50 70.81 1jxb s THR 69 CO 0.02 -0.14 1.43 -0.90 -2.21 0.00 0.00 174.62 172.83 1jxb n ASP 70 N 2.13 2.75 -4.64 8.08 5.75 -1.26 -1.77 116.55 127.59 1jxb n ASP 70 Ca -0.17 -1.93 -0.43 0.00 -0.01 0.00 0.00 54.79 52.25 1jxb n ASP 70 Cb 0.57 -0.27 -0.02 0.00 -1.03 0.00 0.00 41.12 40.36 1jxb n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1jxb s SER 71 N -1.27 6.63 0.20 -1.12 0.15 -1.26 -4.87 113.70 112.16 1jxb s SER 71 Ca 0.36 1.74 -0.07 0.00 0.70 0.00 0.00 55.95 58.68 1jxb s SER 71 Cb 0.20 -2.53 0.13 0.00 -1.71 0.00 0.00 66.02 62.10 1jxb s SER 71 CO 0.27 -1.03 1.63 -0.61 1.20 0.00 0.00 173.24 174.70 1jxb h GLN 72 N 9.62 0.91 -0.15 5.44 4.15 -1.94 -1.75 115.11 131.39 1jxb h GLN 72 Ca -0.32 -0.34 0.01 0.00 0.77 0.00 0.00 58.65 58.77 1jxb h GLN 72 Cb 1.14 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 1jxb h GLN 72 CO 0.99 0.99 0.07 -0.92 -1.93 0.00 0.00 178.83 178.03 1jxb h TYR 73 N 0.80 0.14 -0.59 3.99 3.20 -1.98 -0.17 116.97 122.36 1jxb h TYR 73 Ca 0.12 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 1jxb h TYR 73 Cb 0.68 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.88 1jxb h TYR 73 CO 0.04 0.08 0.24 0.28 -1.64 0.00 0.00 178.16 177.16 1jxb h VAL 74 N 0.16 1.23 -0.51 1.81 2.07 -1.91 -1.93 116.25 117.17 1jxb h VAL 74 Ca 0.06 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 66.91 1jxb h VAL 74 Cb 0.01 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1jxb h VAL 74 CO -0.04 0.27 0.28 -0.09 0.02 0.00 0.00 177.57 178.02 1jxb h ARG 75 N 0.81 0.54 -0.62 1.57 2.43 -0.88 -0.89 114.38 117.34 1jxb h ARG 75 Ca 0.20 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.24 1jxb h ARG 75 Cb 0.19 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1jxb h ARG 75 CO -0.02 0.36 0.03 1.96 -1.51 0.00 0.00 179.97 180.79 1jxb h GLN 76 N 0.55 1.07 0.01 0.20 4.20 -0.87 0.49 115.11 120.75 1jxb h GLN 76 Ca 0.22 -0.32 0.01 0.00 0.06 0.00 0.00 58.65 58.61 1jxb h GLN 76 Cb 0.08 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1jxb h GLN 76 CO -0.13 1.02 -0.04 0.78 -0.67 0.00 0.00 178.83 179.79 1jxb h GLY 77 N 1.01 -0.05 0.95 3.46 0.00 -0.89 0.37 103.07 107.92 1jxb h GLY 77 Ca 0.18 0.05 -0.11 0.00 0.00 0.00 0.00 47.33 47.45 1jxb h GLY 77 CO 0.03 -0.05 -0.27 -2.22 0.00 0.00 0.00 176.54 174.03 1jxb h ILE 78 N -0.08 1.30 0.00 2.60 1.08 -0.99 0.00 117.51 121.42 1jxb h ILE 78 Ca 0.02 -1.43 -0.04 0.00 -0.39 0.00 0.00 64.86 63.02 1jxb h ILE 78 Cb 0.10 1.59 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 1jxb h ILE 78 CO -0.04 0.46 -1.18 0.35 -0.69 0.00 0.00 178.15 177.04 1jxb n THR 79 N -4.29 0.69 0.00 -0.27 -2.24 0.15 -4.74 114.28 103.57 1jxb n THR 79 Ca -0.04 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1jxb n THR 79 Cb 0.46 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 1jxb n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jxb n GLN 80 N -2.69 0.00 -0.10 -0.78 6.02 0.11 -5.01 117.38 114.93 1jxb n GLN 80 Ca -0.03 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.73 1jxb n GLN 80 Cb 0.62 -0.72 -0.11 0.00 1.02 0.00 0.00 30.24 31.04 1jxb n GLN 80 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1jxb n TRP 81 N -2.28 0.86 -0.14 1.08 8.01 -0.04 -4.47 117.44 120.46 1jxb n TRP 81 Ca 0.00 0.35 -0.04 0.00 -1.31 0.00 0.00 57.50 56.51 1jxb n TRP 81 Cb 0.32 -1.09 0.04 0.00 -2.01 0.00 0.00 31.31 28.57 1jxb n TRP 81 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.69 177.50 1jxb h ILE 82 N -0.92 0.67 -0.01 -0.99 2.04 -1.24 -0.34 117.51 116.73 1jxb h ILE 82 Ca -0.42 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 1jxb h ILE 82 Cb 1.41 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1jxb h ILE 82 CO -0.23 0.02 -0.25 1.12 0.00 0.00 0.00 178.15 178.81 1jxb h HIS 83 N 0.12 0.01 -0.04 1.37 2.07 -1.82 -0.79 115.15 116.07 1jxb h HIS 83 Ca 0.22 -0.00 -0.24 0.00 -2.85 0.00 0.00 60.37 57.50 1jxb h HIS 83 Cb 0.32 -0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.30 1jxb h HIS 83 CO -0.28 0.27 -0.93 -0.91 -3.07 0.00 0.00 177.93 173.01 1jxb h ASN 84 N 0.01 0.79 -0.64 3.10 2.35 -1.59 -2.91 115.58 116.69 1jxb h ASN 84 Ca -0.00 -0.59 -0.03 0.00 -0.55 0.00 0.00 56.30 55.13 1jxb h ASN 84 Cb 0.46 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 1jxb h ASN 84 CO 0.03 1.39 0.30 -0.50 -1.65 0.00 0.00 177.43 177.00 1jxb h TRP 85 N 0.38 0.95 -0.65 1.19 6.55 -0.47 -2.08 115.95 121.81 1jxb h TRP 85 Ca -0.09 -0.04 -0.06 0.00 0.95 0.00 0.00 58.89 59.65 1jxb h TRP 85 Cb 1.56 -0.30 -0.03 0.00 -0.86 0.00 0.00 29.16 29.54 1jxb h TRP 85 CO 0.08 0.71 0.17 0.87 -1.05 0.00 0.00 178.44 179.22 1jxb h LYS 86 N 0.94 1.03 -0.51 0.49 1.57 -1.08 0.93 116.57 119.96 1jxb h LYS 86 Ca 0.23 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1jxb h LYS 86 Cb 0.13 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1jxb h LYS 86 CO -0.03 0.92 0.32 0.87 -0.57 0.00 0.00 179.45 180.97 1jxb h LYS 87 N 0.96 0.67 -0.63 3.15 1.57 -1.24 -2.51 116.57 118.55 1jxb h LYS 87 Ca 0.21 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1jxb h LYS 87 Cb 0.34 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1jxb h LYS 87 CO -0.00 0.46 0.00 0.54 -0.57 0.00 0.00 179.45 179.88 1jxb n ARG 88 N -4.45 4.13 -3.44 3.15 1.74 -0.82 -4.94 116.66 112.03 1jxb n ARG 88 Ca 0.05 -2.78 -0.24 0.00 -0.77 0.00 0.00 57.85 54.11 1jxb n ARG 88 Cb 0.06 -2.05 0.06 0.00 -1.02 0.00 0.00 32.46 29.51 1jxb n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jxb n GLY 89 N 0.80 -0.54 3.65 -0.13 0.00 -0.84 -3.08 105.19 105.05 1jxb n GLY 89 Ca 0.25 0.22 -0.25 0.00 0.00 0.00 0.00 46.02 46.24 1jxb n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1jxb n TRP 90 N -4.84 -2.74 -4.16 1.61 7.02 0.26 -4.99 117.44 109.60 1jxb n TRP 90 Ca -0.03 0.99 -0.16 0.00 -1.02 0.00 0.00 57.50 57.29 1jxb n TRP 90 Cb 0.58 -4.85 -0.12 0.00 -2.42 0.00 0.00 31.31 24.49 1jxb n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1jxb s LYS 91 N -6.32 0.66 1.00 -0.99 1.02 -1.18 -1.24 119.74 112.70 1jxb s LYS 91 Ca 0.56 -0.73 -0.17 0.00 0.02 0.00 0.00 55.97 55.65 1jxb s LYS 91 Cb -0.26 -0.56 0.24 0.00 -0.52 0.00 0.00 37.83 36.73 1jxb s LYS 91 CO 0.75 0.12 1.23 0.25 -0.92 0.00 0.00 175.35 176.79 1jxb n THR 92 N 1.69 0.00 0.26 2.17 -2.24 -0.20 -4.85 114.28 111.11 1jxb n THR 92 Ca -0.20 -0.83 0.13 0.00 -2.27 0.00 0.00 64.05 60.88 1jxb n THR 92 Cb 0.55 -1.46 0.67 0.00 -2.10 0.00 0.00 70.33 67.99 1jxb n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jxb h ALA 93 N -2.02 1.14 -0.21 6.98 0.00 -1.98 -0.35 119.26 122.82 1jxb h ALA 93 Ca -0.41 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1jxb h ALA 93 Cb 1.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1jxb h ALA 93 CO 0.29 0.16 0.00 -0.40 0.00 0.00 0.00 179.25 179.30 1jxb n ASP 94 N -3.45 1.39 -0.20 0.00 3.85 -1.26 -4.90 116.55 111.97 1jxb n ASP 94 Ca -0.01 -1.83 -0.03 0.00 -0.71 0.00 0.00 54.79 52.22 1jxb n ASP 94 Cb 0.30 -0.13 -0.01 0.00 -1.35 0.00 0.00 41.12 39.92 1jxb n ASP 94 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1jxb n LYS 95 N 0.20 -0.67 -3.03 0.11 4.76 -0.14 -5.02 118.16 114.36 1jxb n LYS 95 Ca 0.12 0.38 -0.34 0.00 -2.87 0.00 0.00 58.31 55.60 1jxb n LYS 95 Cb 0.25 -4.03 -0.06 0.00 -1.84 0.00 0.00 35.03 29.35 1jxb n LYS 95 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1jxb s LYS 96 N -1.38 4.17 0.41 1.97 1.02 -1.26 -4.78 119.74 119.90 1jxb s LYS 96 Ca 0.00 0.88 -0.26 0.00 0.02 0.00 0.00 55.97 56.61 1jxb s LYS 96 Cb 0.00 -2.55 -0.10 0.00 -0.52 0.00 0.00 37.83 34.66 1jxb s LYS 96 CO 0.00 0.20 1.20 -2.30 -0.92 0.00 0.00 175.35 173.53 1jxb n PRO 97 N -0.02 1.79 -1.71 -1.68 -0.02 -1.26 -1.03 135.00 131.07 1jxb n PRO 97 Ca 0.02 0.64 -0.38 0.00 -2.02 0.00 0.00 63.50 61.76 1jxb n PRO 97 Cb 0.52 -2.28 0.05 0.00 -0.02 0.00 0.00 33.50 31.77 1jxb n PRO 97 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1jxb n VAL 98 N -0.21 3.96 -1.83 -1.45 0.31 -0.37 -4.70 118.33 114.03 1jxb n VAL 98 Ca 0.07 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.48 1jxb n VAL 98 Cb 0.39 -1.53 -0.02 0.00 -0.91 0.00 0.00 33.84 31.77 1jxb n VAL 98 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1jxb s LYS 99 N -2.91 4.16 -1.51 5.55 2.20 -1.26 -1.58 119.74 124.39 1jxb s LYS 99 Ca 0.74 2.50 0.00 0.00 -0.36 0.00 0.00 55.97 58.85 1jxb s LYS 99 Cb -0.42 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1jxb s LYS 99 CO 0.48 -0.63 0.00 0.09 -0.36 0.00 0.00 175.35 174.93 1jxb n ASN 100 N 3.08 -4.94 -0.14 1.43 3.02 -1.26 -4.90 115.26 111.55 1jxb n ASN 100 Ca 0.11 0.10 0.13 0.00 -0.03 0.00 0.00 54.58 54.89 1jxb n ASN 100 Cb 0.37 -4.00 0.48 0.00 -0.61 0.00 0.00 39.78 36.02 1jxb n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1jxb h VAL 101 N 0.00 0.87 -0.43 2.41 3.04 -1.65 -0.15 116.25 120.32 1jxb h VAL 101 Ca -0.38 -0.16 0.07 0.00 -1.01 0.00 0.00 66.70 65.22 1jxb h VAL 101 Cb 1.24 0.35 -0.06 0.00 -2.01 0.00 0.00 31.29 30.81 1jxb h VAL 101 CO 0.47 0.09 0.08 -2.24 -1.01 0.00 0.00 177.57 174.96 1jxb h ASP 102 N 0.47 -0.00 0.30 3.17 2.03 -1.90 0.74 116.42 121.23 1jxb h ASP 102 Ca 0.33 0.08 -0.23 0.00 -0.73 0.00 0.00 57.03 56.48 1jxb h ASP 102 Cb 0.64 0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.25 1jxb h ASP 102 CO -0.11 0.03 -0.94 -0.07 -1.03 0.00 0.00 179.24 177.13 1jxb h LEU 103 N 0.21 0.57 -0.77 0.15 3.38 -1.48 -1.91 115.31 115.46 1jxb h LEU 103 Ca 0.21 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1jxb h LEU 103 Cb 0.27 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1jxb h LEU 103 CO -0.28 1.24 0.30 -0.50 0.09 0.00 0.00 178.44 179.29 1jxb h TRP 104 N 0.25 1.17 -0.31 1.13 4.06 -1.01 0.79 115.95 122.03 1jxb h TRP 104 Ca -0.08 -0.09 -0.10 0.00 2.06 0.00 0.00 58.89 60.68 1jxb h TRP 104 Cb 1.57 -0.35 -0.01 0.00 -1.00 0.00 0.00 29.16 29.37 1jxb h TRP 104 CO 0.06 0.90 -0.23 1.96 -3.56 0.00 0.00 178.44 177.57 1jxb h GLN 105 N 1.11 0.60 -0.56 0.49 4.20 -0.81 -0.83 115.11 119.32 1jxb h GLN 105 Ca 0.25 -0.23 -0.11 0.00 0.06 0.00 0.00 58.65 58.63 1jxb h GLN 105 Cb 0.23 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1jxb h GLN 105 CO -0.02 0.78 -0.07 -0.09 -0.67 0.00 0.00 178.83 178.77 1jxb h ARG 106 N 0.53 1.03 -0.41 1.46 2.43 -0.84 -2.07 114.38 116.52 1jxb h ARG 106 Ca 0.08 -0.36 -0.08 0.00 -0.81 0.00 0.00 59.98 58.80 1jxb h ARG 106 Cb 0.68 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1jxb h ARG 106 CO 0.05 1.06 -0.07 1.25 -1.51 0.00 0.00 179.97 180.75 1jxb h LEU 107 N 0.92 0.77 -0.89 3.80 5.85 -0.69 -2.68 115.31 122.38 1jxb h LEU 107 Ca 0.15 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.54 1jxb h LEU 107 Cb 0.63 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 1jxb h LEU 107 CO 0.04 0.93 0.59 -0.78 -0.34 0.00 0.00 178.44 178.88 1jxb h ASP 108 N 0.59 1.00 0.15 1.25 -0.00 -1.06 -0.52 116.42 117.83 1jxb h ASP 108 Ca 0.11 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.03 57.11 1jxb h ASP 108 Cb 0.58 -0.24 -0.00 0.00 -0.00 0.00 0.00 39.33 39.67 1jxb h ASP 108 CO 0.03 0.71 -0.10 0.00 -0.00 0.00 0.00 179.24 179.89 1jxb h ALA 109 N 1.34 -0.23 -0.68 -0.78 0.00 -1.24 -2.66 119.26 115.01 1jxb h ALA 109 Ca 0.34 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1jxb h ALA 109 Cb -0.09 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1jxb h ALA 109 CO -0.09 -0.64 0.39 0.00 0.00 0.00 0.00 179.25 178.91 1jxb h ALA 110 N 0.60 0.87 -0.13 0.00 0.00 -1.06 -3.01 119.26 116.52 1jxb h ALA 110 Ca -0.01 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1jxb h ALA 110 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1jxb h ALA 110 CO 0.01 0.37 -0.18 1.37 0.00 0.00 0.00 179.25 180.82 1jxb h LEU 111 N 0.93 0.21 0.00 0.00 8.10 -1.05 -2.80 115.31 120.70 1jxb h LEU 111 Ca 0.24 -0.05 0.00 0.00 0.11 0.00 0.00 57.88 58.18 1jxb h LEU 111 Cb 0.01 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 40.18 1jxb h LEU 111 CO -0.04 0.42 0.00 0.61 -4.11 0.00 0.00 178.44 175.31 1jxb n GLY 112 N -0.76 -0.52 0.06 0.17 0.00 -1.01 -2.57 105.19 100.56 1jxb n GLY 112 Ca -0.01 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 45.99 1jxb n GLY 112 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jxb n GLN 113 N -0.94 2.23 -4.42 1.61 1.13 -1.05 -5.06 117.38 110.88 1jxb n GLN 113 Ca 0.11 -0.13 -0.20 0.00 -1.94 0.00 0.00 57.00 54.84 1jxb n GLN 113 Cb 0.05 -1.18 -0.10 0.00 0.11 0.00 0.00 30.24 29.12 1jxb n GLN 113 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1jxb s HIS 114 N -2.25 1.87 -0.37 1.08 3.76 -1.06 -4.33 115.29 114.00 1jxb s HIS 114 Ca 0.07 -0.94 -0.13 0.00 -0.15 0.00 0.00 55.06 53.90 1jxb s HIS 114 Cb 0.11 -1.18 0.01 0.00 1.11 0.00 0.00 32.58 32.63 1jxb s HIS 114 CO 0.55 0.00 0.24 -0.65 -0.85 0.00 0.00 174.74 174.03 1jxb s GLN 115 N -3.88 3.16 -0.12 1.40 -0.21 -0.57 -4.98 119.66 114.46 1jxb s GLN 115 Ca 0.35 -0.87 0.03 0.00 0.02 0.00 0.00 55.36 54.89 1jxb s GLN 115 Cb 0.08 -3.82 0.01 0.00 1.00 0.00 0.00 33.01 30.27 1jxb s GLN 115 CO 0.14 -0.60 -0.23 0.42 -2.12 0.00 0.00 175.29 172.91 1jxb s ILE 116 N 1.66 2.05 -0.29 1.08 1.01 -1.26 -0.16 121.20 125.29 1jxb s ILE 116 Ca 0.05 -0.99 -0.11 0.00 0.00 0.00 0.00 60.65 59.61 1jxb s ILE 116 Cb -0.18 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 1jxb s ILE 116 CO 0.09 0.55 0.17 -0.75 0.00 0.00 0.00 174.94 175.01 1jxb s LYS 117 N 0.64 3.75 -0.17 2.79 2.20 0.07 -4.99 119.74 124.03 1jxb s LYS 117 Ca -0.11 -0.45 -0.17 0.00 -0.36 0.00 0.00 55.97 54.88 1jxb s LYS 117 Cb -0.16 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 1jxb s LYS 117 CO 0.02 -0.25 0.44 -1.58 -0.36 0.00 0.00 175.35 173.62 1jxb s TRP 118 N 1.71 3.43 -0.39 4.03 0.52 -1.26 -0.68 118.94 126.31 1jxb s TRP 118 Ca 0.06 0.75 -0.07 0.00 0.02 0.00 0.00 56.10 56.86 1jxb s TRP 118 Cb -0.16 -2.55 0.07 0.00 -1.15 0.00 0.00 33.47 29.68 1jxb s TRP 118 CO 0.09 0.06 0.19 -1.21 0.02 0.00 0.00 176.95 176.11 1jxb s GLU 119 N 1.04 2.54 -0.81 4.98 2.02 0.39 -4.93 118.70 123.92 1jxb s GLU 119 Ca 0.22 -1.40 -0.21 0.00 0.02 0.00 0.00 54.97 53.60 1jxb s GLU 119 Cb -0.15 -3.63 0.09 0.00 0.10 0.00 0.00 34.13 30.54 1jxb s GLU 119 CO 0.09 -0.86 1.10 -1.58 0.02 0.00 0.00 175.26 174.03 1jxb s TRP 120 N 1.38 2.80 0.30 1.61 0.52 -1.26 -1.52 118.94 122.77 1jxb s TRP 120 Ca 0.02 -0.88 -0.11 0.00 0.02 0.00 0.00 56.10 55.15 1jxb s TRP 120 Cb -0.22 -4.36 -0.07 0.00 -1.15 0.00 0.00 33.47 27.67 1jxb s TRP 120 CO 0.02 -1.65 0.66 0.14 0.02 0.00 0.00 176.95 176.13 1jxb s VAL 121 N 3.75 4.82 -0.10 4.03 -7.23 -0.73 -4.97 120.40 119.97 1jxb s VAL 121 Ca 0.30 0.63 0.19 0.00 -1.81 0.00 0.00 61.98 61.28 1jxb s VAL 121 Cb -0.10 -3.65 -0.29 0.00 0.56 0.00 0.00 36.38 32.91 1jxb s VAL 121 CO 0.01 -0.22 0.45 0.29 -0.31 0.00 0.00 175.10 175.31 1jxb n LYS 122 N -0.52 0.60 -3.55 4.82 4.01 -1.26 -4.11 118.16 118.15 1jxb n LYS 122 Ca 0.02 -0.16 -0.10 0.00 -0.51 0.00 0.00 58.31 57.56 1jxb n LYS 122 Cb 0.53 -1.44 -0.04 0.00 -0.51 0.00 0.00 35.03 33.57 1jxb n LYS 122 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1jxb s GLY 123 N -4.05 -0.34 0.32 0.72 0.00 -1.26 -4.89 107.32 97.82 1jxb s GLY 123 Ca -0.06 1.71 0.14 0.00 0.00 0.00 0.00 44.72 46.52 1jxb s GLY 123 CO 0.78 0.84 1.68 0.45 0.00 0.00 0.00 173.10 176.85 1jxb h HIS 124 N 2.44 0.00 -2.51 1.90 3.86 -1.98 -3.42 115.15 115.44 1jxb h HIS 124 Ca -0.20 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.49 1jxb h HIS 124 Cb 1.18 0.00 0.04 0.00 1.06 0.00 0.00 27.41 29.69 1jxb h HIS 124 CO 0.29 0.50 1.12 0.00 0.86 0.00 0.00 177.93 180.70 1jxb n ALA 125 N -2.37 2.26 -1.00 2.45 0.00 -1.26 -1.08 120.51 119.51 1jxb n ALA 125 Ca -0.01 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1jxb n ALA 125 Cb 0.56 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.41 1jxb n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jxb n GLY 126 N 4.25 0.69 2.34 0.00 0.00 -1.26 -4.93 105.19 106.29 1jxb n GLY 126 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1jxb n GLY 126 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jxb n HIS 127 N -2.57 1.84 -0.06 1.61 -0.00 -0.24 -4.98 115.22 110.82 1jxb n HIS 127 Ca 0.00 -3.89 0.02 0.00 -0.00 0.00 0.00 57.72 53.85 1jxb n HIS 127 Cb 0.01 -0.46 0.35 0.00 -0.00 0.00 0.00 29.99 29.88 1jxb n HIS 127 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1jxb h PRO 128 N 3.99 0.67 -0.13 -0.41 0.13 -1.92 -1.56 132.00 132.77 1jxb h PRO 128 Ca 0.14 -0.06 -0.15 0.00 -0.87 0.00 0.00 66.00 65.06 1jxb h PRO 128 Cb 0.76 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 1jxb h PRO 128 CO 0.67 0.49 -0.55 0.93 -0.23 0.00 0.00 178.00 179.30 1jxb h GLU 129 N 0.68 0.38 -0.49 0.86 3.07 -1.94 -0.39 114.58 116.75 1jxb h GLU 129 Ca 0.18 -0.23 -0.13 0.00 -0.50 0.00 0.00 59.36 58.67 1jxb h GLU 129 Cb 0.00 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 1jxb h GLU 129 CO -0.03 0.83 -0.20 -0.91 -1.40 0.00 0.00 179.01 177.30 1jxb h ASN 130 N 0.29 1.01 -0.75 1.42 4.21 -1.71 0.16 115.58 120.20 1jxb h ASN 130 Ca 0.00 -0.37 -0.02 0.00 1.21 0.00 0.00 56.30 57.13 1jxb h ASN 130 Cb 1.05 -0.28 -0.04 0.00 -1.12 0.00 0.00 38.32 37.94 1jxb h ASN 130 CO 0.09 1.16 0.40 -0.08 -1.29 0.00 0.00 177.43 177.72 1jxb h GLU 131 N 0.86 1.06 -0.71 0.81 4.81 -1.12 -0.90 114.58 119.40 1jxb h GLU 131 Ca 0.12 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1jxb h GLU 131 Cb 0.77 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 1jxb h GLU 131 CO 0.06 0.80 0.28 -0.09 -0.73 0.00 0.00 179.01 179.33 1jxb h ARG 132 N 1.05 1.04 -0.37 1.92 2.43 -0.82 -0.55 114.38 119.08 1jxb h ARG 132 Ca 0.26 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 1jxb h ARG 132 Cb 0.05 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1jxb h ARG 132 CO -0.04 0.85 -0.13 0.00 -1.51 0.00 0.00 179.97 179.14 1jxb h ALA 133 N 1.29 1.09 -0.36 2.80 0.00 -0.27 -1.20 119.26 122.61 1jxb h ALA 133 Ca 0.24 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1jxb h ALA 133 Cb 0.19 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1jxb h ALA 133 CO -0.02 0.56 0.16 0.22 0.00 0.00 0.00 179.25 180.18 1jxb h ASP 134 N 0.59 0.48 -0.80 0.00 3.58 -0.62 -0.56 116.42 119.09 1jxb h ASP 134 Ca 0.10 -0.14 0.03 0.00 0.42 0.00 0.00 57.03 57.44 1jxb h ASP 134 Cb 0.57 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.45 1jxb h ASP 134 CO 0.04 0.48 0.51 -0.33 -2.88 0.00 0.00 179.24 177.06 1jxb h GLU 135 N 0.44 0.98 -0.12 0.28 5.08 -0.37 -0.71 114.58 120.16 1jxb h GLU 135 Ca 0.12 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1jxb h GLU 135 Cb 0.14 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1jxb h GLU 135 CO -0.01 0.65 0.08 -0.07 -1.00 0.00 0.00 179.01 178.65 1jxb h LEU 136 N 1.01 0.13 -0.29 1.33 3.38 -1.06 -0.94 115.31 118.86 1jxb h LEU 136 Ca 0.31 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1jxb h LEU 136 Cb -0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1jxb h LEU 136 CO -0.10 0.09 0.19 0.00 0.09 0.00 0.00 178.44 178.71 1jxb h ALA 137 N 1.05 0.37 -0.72 1.53 0.00 -0.51 -1.37 119.26 119.62 1jxb h ALA 137 Ca 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1jxb h ALA 137 Cb -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1jxb h ALA 137 CO -0.01 -0.14 0.30 0.00 0.00 0.00 0.00 179.25 179.39 1jxb h ARG 138 N 0.39 1.05 -0.57 0.00 3.08 -1.10 -1.60 114.38 115.64 1jxb h ARG 138 Ca 0.11 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 1jxb h ARG 138 Cb -0.02 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 1jxb h ARG 138 CO -0.02 0.84 0.04 0.00 -1.07 0.00 0.00 179.97 179.76 1jxb h ALA 139 N 1.29 1.00 -0.13 0.04 0.00 -0.84 -2.52 119.26 118.10 1jxb h ALA 139 Ca 0.24 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1jxb h ALA 139 Cb 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1jxb h ALA 139 CO -0.02 0.62 -0.32 0.00 0.00 0.00 0.00 179.25 179.53 1jxb h ALA 140 N 1.15 1.22 0.00 0.00 0.00 -0.98 -2.46 119.26 118.19 1jxb h ALA 140 Ca 0.17 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1jxb h ALA 140 Cb 0.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1jxb h ALA 140 CO 0.02 0.52 -0.38 0.00 0.00 0.00 0.00 179.25 179.41 1jxb h ALA 141 N 1.45 1.36 0.00 0.00 0.00 -0.88 -2.10 119.26 119.09 1jxb h ALA 141 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1jxb h ALA 141 Cb 0.68 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1jxb h ALA 141 CO 0.05 0.47 0.00 0.52 0.00 0.00 0.00 179.25 180.29 1jxb h MET 142 N 0.00 0.00 -2.03 0.00 2.86 -1.08 -3.37 114.93 111.31 1jxb h MET 142 Ca -0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1jxb h MET 142 Cb 0.67 0.00 -0.40 0.00 0.06 0.00 0.00 31.60 31.93 1jxb h MET 142 CO 0.05 0.00 -1.10 0.09 1.06 0.00 0.00 176.91 177.01 1jxb n ASN 143 N -3.00 0.92 -4.77 1.22 3.02 -0.81 -5.12 115.26 106.72 1jxb n ASN 143 Ca 0.02 -2.94 -0.39 0.00 -0.03 0.00 0.00 54.58 51.25 1jxb n ASN 143 Cb 0.41 -0.63 -0.00 0.00 -0.61 0.00 0.00 39.78 38.95 1jxb n ASN 143 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1jxb s PRO 144 N -1.97 3.91 0.00 3.52 0.04 -1.09 -4.59 135.00 134.81 1jxb s PRO 144 Ca 0.38 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.51 1jxb s PRO 144 Cb 0.26 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1jxb s PRO 144 CO -0.09 -0.52 0.00 0.25 0.04 0.00 0.00 177.00 176.68 1jxb n THR 145 N -0.00 0.00 -4.22 1.26 -2.24 -0.71 -4.89 114.28 103.48 1jxb n THR 145 Ca 0.04 -0.05 -0.23 0.00 -2.27 0.00 0.00 64.05 61.54 1jxb n THR 145 Cb 0.44 0.43 -0.07 0.00 -2.10 0.00 0.00 70.33 69.04 1jxb n THR 145 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1jxb s LEU 146 N -0.82 3.27 -0.18 3.22 1.43 -0.47 -4.98 118.68 120.15 1jxb s LEU 146 Ca 0.00 -0.65 -0.08 0.00 -1.03 0.00 0.00 54.13 52.37 1jxb s LEU 146 Cb 0.00 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 1jxb s LEU 146 CO 0.00 -0.10 0.08 -0.70 0.23 0.00 0.00 176.35 175.86 1jxb s GLU 147 N -3.74 3.99 -1.13 1.70 2.12 -1.26 -1.15 118.70 119.22 1jxb s GLU 147 Ca 0.33 -0.31 -0.16 0.00 0.36 0.00 0.00 54.97 55.19 1jxb s GLU 147 Cb -0.05 -3.25 0.14 0.00 0.26 0.00 0.00 34.13 31.22 1jxb s GLU 147 CO 0.21 0.31 1.40 0.34 -0.54 0.00 0.00 175.26 176.98 1jxb s ASP 148 N 0.28 6.88 0.52 -1.70 3.68 -1.26 -4.88 116.67 120.18 1jxb s ASP 148 Ca 0.05 -2.54 0.23 0.00 2.13 0.00 0.00 52.55 52.42 1jxb s ASP 148 Cb -0.12 -2.44 1.34 0.00 -1.45 0.00 0.00 42.92 40.25 1jxb s ASP 148 CO -0.00 -0.95 2.00 0.74 0.13 0.00 0.00 175.17 177.08 1jxb h THR 149 N 5.28 0.77 -0.02 1.71 2.02 -1.95 -2.11 112.91 118.61 1jxb h THR 149 Ca 0.29 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.45 1jxb h THR 149 Cb 0.92 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1jxb h THR 149 CO 1.26 0.01 -0.06 0.61 0.37 0.00 0.00 175.52 177.71 1jxb n GLY 150 N -1.62 -0.02 3.72 2.16 0.00 -1.26 -4.89 105.19 103.28 1jxb n GLY 150 Ca 0.09 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1jxb n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jxb s TYR 151 N -2.10 3.20 -0.02 1.61 6.14 -0.79 -4.94 117.35 120.45 1jxb s TYR 151 Ca 0.34 0.99 0.03 0.00 0.64 0.00 0.00 57.07 59.07 1jxb s TYR 151 Cb 0.21 -3.71 -0.00 0.00 0.42 0.00 0.00 41.96 38.88 1jxb s TYR 151 CO 0.37 -2.41 -0.10 -1.14 0.64 0.00 0.00 175.55 172.91 1jxb s GLN 152 N 0.64 0.90 0.52 4.97 0.74 -1.26 -5.10 119.66 121.07 1jxb s GLN 152 Ca 0.63 -0.34 -0.21 0.00 0.05 0.00 0.00 55.36 55.49 1jxb s GLN 152 Cb -0.38 -0.86 -0.07 0.00 1.10 0.00 0.00 33.01 32.80 1jxb s GLN 152 CO 0.34 0.17 0.97 0.28 -0.55 0.00 0.00 175.29 176.50 1jxb n VAL 153 N 3.04 3.06 -0.52 1.34 0.31 -1.26 -5.07 118.33 119.23 1jxb n VAL 153 Ca -0.16 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 1jxb n VAL 153 Cb 0.55 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 1jxb n VAL 153 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72