#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jor n THR 2 N 0.00 0.00 -1.21 0.00 5.66 -1.26 -5.10 114.28 112.37 1jor n THR 2 Ca 0.00 -0.34 0.00 0.00 -3.05 0.00 0.00 64.05 60.66 1jor n THR 2 Cb 0.00 1.07 0.00 0.00 -1.55 0.00 0.00 70.33 69.85 1jor n THR 2 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1jor n SER 3 N -0.64 -6.57 -0.77 1.09 2.88 -1.26 -4.88 113.62 103.47 1jor n SER 3 Ca 0.03 1.29 0.05 0.00 -1.33 0.00 0.00 58.87 58.92 1jor n SER 3 Cb 0.19 -3.59 0.09 0.00 -0.75 0.00 0.00 64.21 60.15 1jor n SER 3 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1jor n THR 4 N -1.93 0.96 -3.54 2.46 -2.24 -1.26 -5.00 114.28 103.73 1jor n THR 4 Ca 0.00 -1.64 -0.06 0.00 -2.27 0.00 0.00 64.05 60.08 1jor n THR 4 Cb 0.26 0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 68.73 1jor n THR 4 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1jor s LYS 5 N -1.43 0.40 0.00 -0.78 2.20 -1.26 -5.16 119.74 113.70 1jor s LYS 5 Ca 0.27 1.00 0.00 0.00 -0.36 0.00 0.00 55.97 56.89 1jor s LYS 5 Cb 0.28 0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.88 1jor s LYS 5 CO -0.07 -0.36 0.00 1.63 -0.36 0.00 0.00 175.35 176.19 1jor n LYS 6 N 5.40 2.74 -1.35 4.03 5.02 -1.26 -5.14 118.16 127.60 1jor n LYS 6 Ca -0.07 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.13 1jor n LYS 6 Cb 0.50 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.55 1jor n LYS 6 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1jor n LEU 7 N 0.00 0.00 -3.68 -0.35 4.32 -1.26 -5.11 117.00 110.91 1jor n LEU 7 Ca 0.00 -0.81 -0.13 0.00 -0.02 0.00 0.00 56.01 55.04 1jor n LEU 7 Cb 0.00 -0.26 -0.13 0.00 -1.62 0.00 0.00 43.42 41.41 1jor n LEU 7 CO 0.00 -0.70 -0.14 -1.38 -1.22 0.00 0.00 177.39 173.95 1jor s HIS 8 N -1.11 -0.37 0.17 -1.77 -3.43 -1.26 -5.12 115.29 102.39 1jor s HIS 8 Ca 0.26 0.88 -0.32 0.00 -0.80 0.00 0.00 55.06 55.08 1jor s HIS 8 Cb -0.01 -0.03 -0.11 0.00 -1.43 0.00 0.00 32.58 31.00 1jor s HIS 8 CO 0.17 -0.31 1.66 0.15 -2.00 0.00 0.00 174.74 174.41 1jor s LYS 9 N 2.03 4.17 0.20 -0.38 1.02 -1.26 -4.82 119.74 120.71 1jor s LYS 9 Ca -0.02 2.47 0.06 0.00 0.02 0.00 0.00 55.97 58.50 1jor s LYS 9 Cb -0.11 -3.21 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 1jor s LYS 9 CO -0.08 -0.69 0.12 -1.21 -0.92 0.00 0.00 175.35 172.57 1jor s GLU 10 N 1.45 2.79 0.26 1.68 0.41 -0.79 -4.87 118.70 119.63 1jor s GLU 10 Ca 0.73 -1.00 -0.30 0.00 -0.41 0.00 0.00 54.97 53.99 1jor s GLU 10 Cb -0.46 -2.54 -0.09 0.00 -1.78 0.00 0.00 34.13 29.26 1jor s GLU 10 CO 0.32 0.45 1.12 -1.25 -0.49 0.00 0.00 175.26 175.40 1jor s PRO 11 N -3.34 4.61 0.17 0.39 0.04 -1.26 -1.83 135.00 133.77 1jor s PRO 11 Ca 0.31 1.82 0.01 0.00 0.04 0.00 0.00 61.00 63.18 1jor s PRO 11 Cb -0.09 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 1jor s PRO 11 CO 0.23 0.15 0.02 0.00 0.04 0.00 0.00 177.00 177.44 1jor s ALA 12 N -0.95 1.24 -0.23 8.56 0.00 -0.68 -4.53 121.76 125.17 1jor s ALA 12 Ca 0.46 -1.57 0.02 0.00 0.00 0.00 0.00 51.96 50.87 1jor s ALA 12 Cb -0.32 0.64 0.04 0.00 0.00 0.00 0.00 23.12 23.49 1jor s ALA 12 CO 0.40 -0.37 -0.14 0.99 0.00 0.00 0.00 175.76 176.64 1jor s THR 13 N -3.76 2.14 -0.09 0.00 2.01 -0.91 -4.57 115.64 110.47 1jor s THR 13 Ca 0.24 -1.36 -0.36 0.00 0.31 0.00 0.00 61.69 60.52 1jor s THR 13 Cb 0.06 -2.12 -0.13 0.00 0.01 0.00 0.00 72.50 70.32 1jor s THR 13 CO 0.04 0.19 1.76 -0.11 -0.69 0.00 0.00 174.62 175.81 1jor n LEU 14 N 4.51 2.97 -0.06 4.42 7.94 -1.26 -1.21 117.00 134.30 1jor n LEU 14 Ca -0.17 1.03 -0.07 0.00 -1.11 0.00 0.00 56.01 55.69 1jor n LEU 14 Cb 0.45 -1.30 -0.02 0.00 0.53 0.00 0.00 43.42 43.08 1jor n LEU 14 CO 0.23 -0.27 -0.52 -0.38 -1.11 0.00 0.00 177.39 175.34 1jor n ILE 15 N 4.55 1.27 -3.34 1.96 5.41 -0.92 -4.90 119.36 123.40 1jor n ILE 15 Ca 0.23 0.21 0.02 0.00 1.00 0.00 0.00 62.75 64.21 1jor n ILE 15 Cb 0.24 -2.15 -0.03 0.00 -0.71 0.00 0.00 39.64 36.99 1jor n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1jor s LYS 16 N -2.56 0.36 0.18 0.38 2.36 -0.91 -5.03 119.74 114.50 1jor s LYS 16 Ca -0.22 0.79 -0.22 0.00 -2.55 0.00 0.00 55.97 53.76 1jor s LYS 16 Cb 0.03 0.46 -0.08 0.00 -1.05 0.00 0.00 37.83 37.20 1jor s LYS 16 CO 0.33 -0.23 0.73 0.00 1.55 0.00 0.00 175.35 177.74 1jor s ALA 17 N 2.70 3.45 -0.18 3.13 0.00 -1.26 -2.20 121.76 127.39 1jor s ALA 17 Ca 0.01 0.25 -0.04 0.00 0.00 0.00 0.00 51.96 52.18 1jor s ALA 17 Cb -0.09 -2.87 -0.10 0.00 0.00 0.00 0.00 23.12 20.06 1jor s ALA 17 CO -0.17 0.32 -0.20 -0.89 0.00 0.00 0.00 175.76 174.82 1jor n ILE 18 N 1.26 1.03 -3.93 0.00 5.41 -0.95 -4.96 119.36 117.21 1jor n ILE 18 Ca -0.05 -0.32 0.00 0.00 1.00 0.00 0.00 62.75 63.38 1jor n ILE 18 Cb 0.50 -1.45 0.00 0.00 -0.71 0.00 0.00 39.64 37.98 1jor n ILE 18 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1jor n ASP 19 N -3.45 0.63 -0.14 4.38 8.00 -0.92 -5.00 116.55 120.06 1jor n ASP 19 Ca -0.34 -0.93 0.10 0.00 0.71 0.00 0.00 54.79 54.32 1jor n ASP 19 Cb 0.80 0.00 0.55 0.00 -0.02 0.00 0.00 41.12 42.45 1jor n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jor n GLY 20 N 1.57 -0.69 0.00 0.44 0.00 -1.26 -4.05 105.19 101.20 1jor n GLY 20 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1jor n GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jor n ASP 21 N -0.54 1.44 -4.69 1.61 9.92 -1.26 -4.90 116.55 118.14 1jor n ASP 21 Ca 0.16 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 54.02 1jor n ASP 21 Cb 0.14 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.56 1jor n ASP 21 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1jor s THR 22 N -1.36 5.10 -0.15 -3.53 2.01 -1.26 -2.33 115.64 114.12 1jor s THR 22 Ca 0.00 1.10 -0.08 0.00 0.31 0.00 0.00 61.69 63.02 1jor s THR 22 Cb 0.00 -3.90 0.06 0.00 0.01 0.00 0.00 72.50 68.67 1jor s THR 22 CO 0.00 0.22 0.37 0.68 -0.69 0.00 0.00 174.62 175.20 1jor s VAL 23 N 1.25 -0.07 -0.18 3.82 -7.23 -0.48 -2.16 120.40 115.34 1jor s VAL 23 Ca 0.28 0.11 -0.20 0.00 -1.81 0.00 0.00 61.98 60.37 1jor s VAL 23 Cb -0.16 -0.55 -0.03 0.00 0.56 0.00 0.00 36.38 36.20 1jor s VAL 23 CO 0.11 0.05 0.57 -0.75 -0.31 0.00 0.00 175.10 174.77 1jor s LYS 24 N 1.45 4.22 0.42 4.82 2.20 -0.94 -0.23 119.74 131.69 1jor s LYS 24 Ca -0.09 0.53 0.03 0.00 -0.36 0.00 0.00 55.97 56.08 1jor s LYS 24 Cb -0.09 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.66 1jor s LYS 24 CO -0.12 -0.15 0.12 1.28 -0.36 0.00 0.00 175.35 176.12 1jor n LEU 25 N 4.75 0.00 -4.31 5.43 4.77 -0.79 -2.15 117.00 124.70 1jor n LEU 25 Ca -0.03 -3.07 -0.37 0.00 -0.03 0.00 0.00 56.01 52.50 1jor n LEU 25 Cb 0.50 0.88 -0.13 0.00 -2.33 0.00 0.00 43.42 42.35 1jor n LEU 25 CO 0.43 -0.47 -0.27 -0.32 -1.33 0.00 0.00 177.39 175.44 1jor s MET 26 N -3.57 2.89 -0.12 3.23 -2.45 -0.35 -2.52 119.30 116.40 1jor s MET 26 Ca 0.16 -0.99 0.03 0.00 -1.25 0.00 0.00 55.69 53.63 1jor s MET 26 Cb 0.01 -3.40 0.00 0.00 1.25 0.00 0.00 34.83 32.69 1jor s MET 26 CO 0.12 -0.54 -0.21 -0.47 1.05 0.00 0.00 175.02 174.97 1jor s TYR 27 N 1.46 2.65 0.00 4.11 5.04 -0.68 -2.13 117.35 127.80 1jor s TYR 27 Ca 0.01 -1.11 0.00 0.00 -2.44 0.00 0.00 57.07 53.53 1jor s TYR 27 Cb -0.18 -1.78 0.00 0.00 0.35 0.00 0.00 41.96 40.35 1jor s TYR 27 CO 0.02 -0.47 0.00 1.63 -1.34 0.00 0.00 175.55 175.39 1jor n LYS 28 N 3.78 -1.18 -0.59 4.97 5.02 -1.26 -1.77 118.16 127.13 1jor n LYS 28 Ca -0.19 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1jor n LYS 28 Cb 0.52 -4.22 0.00 0.00 -0.02 0.00 0.00 35.03 31.32 1jor n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jor n GLY 29 N -0.60 0.70 3.10 0.72 0.00 -1.26 -5.06 105.19 102.79 1jor n GLY 29 Ca 0.00 -0.59 -0.17 0.00 0.00 0.00 0.00 46.02 45.26 1jor n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1jor s GLN 30 N -1.22 0.70 -0.11 1.61 -2.07 -0.73 -5.11 119.66 112.72 1jor s GLN 30 Ca 0.00 -0.74 -0.30 0.00 -1.82 0.00 0.00 55.36 52.51 1jor s GLN 30 Cb 0.00 -0.62 -0.03 0.00 -1.09 0.00 0.00 33.01 31.27 1jor s GLN 30 CO 0.00 0.14 1.33 -1.25 -1.32 0.00 0.00 175.29 174.19 1jor s PRO 31 N -1.32 4.25 0.02 9.60 0.04 -1.26 -1.69 135.00 144.64 1jor s PRO 31 Ca -0.03 1.77 -0.11 0.00 0.04 0.00 0.00 61.00 62.67 1jor s PRO 31 Cb -0.08 -3.74 0.01 0.00 0.04 0.00 0.00 34.50 30.72 1jor s PRO 31 CO 0.01 -0.67 0.23 -1.64 0.04 0.00 0.00 177.00 174.97 1jor s MET 32 N 3.25 0.66 0.60 4.56 -1.94 -1.05 -4.98 119.30 120.40 1jor s MET 32 Ca 0.59 -0.44 -0.09 0.00 -1.71 0.00 0.00 55.69 54.04 1jor s MET 32 Cb -0.25 0.28 -0.03 0.00 2.01 0.00 0.00 34.83 36.85 1jor s MET 32 CO 0.19 -0.19 0.98 0.99 -0.01 0.00 0.00 175.02 176.98 1jor s THR 33 N -1.96 4.46 -0.07 2.05 2.01 -1.26 -1.88 115.64 118.99 1jor s THR 33 Ca -0.10 0.59 -0.03 0.00 0.31 0.00 0.00 61.69 62.47 1jor s THR 33 Cb -0.04 -3.77 0.04 0.00 0.01 0.00 0.00 72.50 68.74 1jor s THR 33 CO -0.00 -0.94 0.07 -0.36 -0.69 0.00 0.00 174.62 172.70 1jor s PHE 34 N -3.10 0.08 -0.21 4.92 0.40 0.68 -0.56 117.98 120.19 1jor s PHE 34 Ca 0.54 0.15 -0.04 0.00 -0.60 0.00 0.00 56.93 56.97 1jor s PHE 34 Cb -0.11 -0.52 -0.02 0.00 0.51 0.00 0.00 43.02 42.89 1jor s PHE 34 CO 0.51 -0.27 -0.02 0.50 0.70 0.00 0.00 175.22 176.64 1jor s ARG 35 N 2.17 3.51 0.00 0.44 3.52 -0.84 -1.39 118.95 126.36 1jor s ARG 35 Ca 0.04 -0.57 -0.37 0.00 -0.13 0.00 0.00 55.73 54.70 1jor s ARG 35 Cb -0.13 -3.05 -0.16 0.00 -1.56 0.00 0.00 34.95 30.05 1jor s ARG 35 CO -0.04 -0.09 1.45 1.28 -0.81 0.00 0.00 175.30 177.09 1jor n LEU 36 N 4.51 1.89 -4.75 -0.88 4.77 -0.99 -3.72 117.00 117.83 1jor n LEU 36 Ca -0.18 1.11 -0.40 0.00 -0.03 0.00 0.00 56.01 56.51 1jor n LEU 36 Cb 0.51 -1.19 -0.05 0.00 -2.33 0.00 0.00 43.42 40.36 1jor n LEU 36 CO 0.30 -0.87 0.58 -0.22 -1.33 0.00 0.00 177.39 175.85 1jor s LEU 37 N 1.25 4.56 -1.36 2.23 0.20 -0.92 -3.46 118.68 121.18 1jor s LEU 37 Ca 0.88 1.74 0.00 0.00 0.69 0.00 0.00 54.13 57.44 1jor s LEU 37 Cb -0.97 -3.45 0.00 0.00 -0.43 0.00 0.00 46.19 41.34 1jor s LEU 37 CO 0.51 0.09 0.00 0.18 -0.29 0.00 0.00 176.35 176.84 1jor n LEU 38 N 2.06 -1.60 -4.06 -0.68 4.77 -1.26 -4.92 117.00 111.30 1jor n LEU 38 Ca -0.02 0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 55.91 1jor n LEU 38 Cb 0.49 -2.27 -0.11 0.00 -2.33 0.00 0.00 43.42 39.19 1jor n LEU 38 CO 0.49 -0.26 -0.38 -0.69 -1.33 0.00 0.00 177.39 175.22 1jor s VAL 39 N -2.73 0.36 -0.08 4.08 1.01 -1.22 -2.29 120.40 119.53 1jor s VAL 39 Ca 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 61.98 60.65 1jor s VAL 39 Cb 0.00 -0.82 0.04 0.00 0.00 0.00 0.00 36.38 35.60 1jor s VAL 39 CO 0.00 -0.61 0.19 -1.81 0.00 0.00 0.00 175.10 172.88 1jor s ASP 40 N -2.00 -0.19 0.08 3.32 1.11 -0.04 -4.11 116.67 114.84 1jor s ASP 40 Ca -0.06 0.40 0.02 0.00 0.18 0.00 0.00 52.55 53.10 1jor s ASP 40 Cb -0.04 0.31 -0.04 0.00 1.07 0.00 0.00 42.92 44.22 1jor s ASP 40 CO -0.03 -0.14 0.13 0.42 1.18 0.00 0.00 175.17 176.73 1jor s THR 41 N 1.00 4.81 -1.52 -1.27 -4.23 -1.26 -2.22 115.64 110.95 1jor s THR 41 Ca -0.07 -0.67 0.23 0.00 -1.18 0.00 0.00 61.69 60.00 1jor s THR 41 Cb -0.09 -3.34 0.44 0.00 1.34 0.00 0.00 72.50 70.85 1jor s THR 41 CO -0.06 0.11 1.75 -0.81 -0.54 0.00 0.00 174.62 175.07 1jor n PRO 42 N 0.33 0.39 -2.22 3.99 -0.04 -1.26 -4.99 135.00 131.19 1jor n PRO 42 Ca -0.07 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1jor n PRO 42 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1jor n PRO 42 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1jor n GLU 43 N -1.24 -5.30 -3.38 0.54 2.13 -1.26 -5.02 120.64 107.11 1jor n GLU 43 Ca 0.12 3.78 -0.15 0.00 0.66 0.00 0.00 57.16 61.56 1jor n GLU 43 Cb 0.17 -4.41 -0.09 0.00 0.27 0.00 0.00 31.44 27.38 1jor n GLU 43 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1jor s THR 44 N -0.54 -0.45 0.00 6.31 -1.32 -1.26 -5.15 115.64 113.23 1jor s THR 44 Ca 0.00 -0.46 0.00 0.00 -1.21 0.00 0.00 61.69 60.02 1jor s THR 44 Cb 0.00 -0.98 0.00 0.00 -1.51 0.00 0.00 72.50 70.01 1jor s THR 44 CO 0.00 -0.43 0.00 0.29 -2.21 0.00 0.00 174.62 172.27 1jor n LYS 45 N 5.30 -0.58 -0.77 7.08 4.01 -1.26 -4.86 118.16 127.08 1jor n LYS 45 Ca -0.01 0.00 -0.31 0.00 -0.51 0.00 0.00 58.31 57.48 1jor n LYS 45 Cb 0.47 0.00 0.17 0.00 -0.51 0.00 0.00 35.03 35.16 1jor n LYS 45 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 1jor s HIS 46 N -0.58 1.73 -1.52 2.13 3.76 -1.26 -4.85 115.29 114.70 1jor s HIS 46 Ca 0.00 1.68 -0.11 0.00 -0.15 0.00 0.00 55.06 56.49 1jor s HIS 46 Cb 0.00 -3.27 -0.01 0.00 1.11 0.00 0.00 32.58 30.41 1jor s HIS 46 CO 0.00 -2.79 2.61 -0.35 -0.85 0.00 0.00 174.74 173.36 1jor n PRO 47 N -4.21 3.55 -0.02 8.40 -0.04 -1.26 -4.33 135.00 137.09 1jor n PRO 47 Ca 0.10 -2.55 -0.01 0.00 -0.04 0.00 0.00 63.50 61.01 1jor n PRO 47 Cb 0.52 -2.93 -0.06 0.00 -0.04 0.00 0.00 33.50 30.99 1jor n PRO 47 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1jor n LYS 48 N 4.13 1.83 -2.63 0.54 3.00 -1.26 -4.64 118.16 119.12 1jor n LYS 48 Ca 0.67 -0.03 -0.38 0.00 -0.00 0.00 0.00 58.31 58.57 1jor n LYS 48 Cb 0.29 -1.19 0.01 0.00 0.00 0.00 0.00 35.03 34.14 1jor n LYS 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1jor n LYS 49 N -2.09 4.74 -2.49 1.64 4.01 -1.26 -4.88 118.16 117.83 1jor n LYS 49 Ca -0.08 -4.61 -0.00 0.00 -0.51 0.00 0.00 58.31 53.11 1jor n LYS 49 Cb 0.54 -2.40 -0.00 0.00 -0.51 0.00 0.00 35.03 32.66 1jor n LYS 49 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1jor n GLY 50 N -0.15 -4.07 3.79 0.72 0.00 -1.26 -4.95 105.19 99.27 1jor n GLY 50 Ca 0.44 0.34 -0.34 0.00 0.00 0.00 0.00 46.02 46.46 1jor n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jor s VAL 51 N -1.33 3.63 0.00 1.61 0.11 -1.26 -5.02 120.40 118.13 1jor s VAL 51 Ca -0.00 1.02 0.00 0.00 -2.93 0.00 0.00 61.98 60.07 1jor s VAL 51 Cb 0.00 -3.42 0.00 0.00 -1.53 0.00 0.00 36.38 31.43 1jor s VAL 51 CO 0.64 -0.21 0.00 -0.62 -3.33 0.00 0.00 175.10 171.58 1jor n GLU 52 N -1.01 0.00 0.00 1.54 4.71 -1.26 -5.04 120.64 119.58 1jor n GLU 52 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 1jor n GLU 52 Cb 0.52 -0.11 0.00 0.00 -1.01 0.00 0.00 31.44 30.84 1jor n GLU 52 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1jor n LYS 53 N -0.14 0.00 -1.84 3.49 4.81 -1.26 -4.92 118.16 118.30 1jor n LYS 53 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.05 1jor n LYS 53 Cb 0.00 -0.03 0.05 0.00 0.02 0.00 0.00 35.03 35.06 1jor n LYS 53 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1jor n TYR 54 N -2.33 3.03 0.00 5.64 4.01 -1.26 -4.76 117.16 121.49 1jor n TYR 54 Ca 0.00 -2.45 0.00 0.00 -0.16 0.00 0.00 57.90 55.29 1jor n TYR 54 Cb 0.00 -1.21 0.00 0.00 -0.31 0.00 0.00 39.34 37.82 1jor n TYR 54 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jor n GLY 55 N -0.60 -0.08 2.47 2.72 0.00 -1.26 -4.23 105.19 104.20 1jor n GLY 55 Ca 0.55 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.17 1jor n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jor n PRO 56 N -0.49 3.36 0.00 1.61 -0.04 -1.26 -4.02 135.00 134.16 1jor n PRO 56 Ca 0.00 -2.32 0.00 0.00 -0.04 0.00 0.00 63.50 61.14 1jor n PRO 56 Cb 0.00 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 30.50 1jor n PRO 56 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1jor n GLU 57 N 4.48 0.00 0.11 0.54 -0.58 -1.26 -4.68 120.64 119.25 1jor n GLU 57 Ca 0.69 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 57.34 1jor n GLU 57 Cb 0.28 -0.07 -0.05 0.00 -0.57 0.00 0.00 31.44 31.03 1jor n GLU 57 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jor h ALA 58 N 0.00 -0.35 -0.86 0.62 0.00 -1.77 -0.06 119.26 116.83 1jor h ALA 58 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1jor h ALA 58 Cb 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1jor h ALA 58 CO 0.00 -0.37 0.50 0.66 0.00 0.00 0.00 179.25 180.04 1jor h SER 59 N -1.01 1.06 0.73 0.00 4.64 -1.85 -0.67 113.55 116.44 1jor h SER 59 Ca -0.04 -0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.16 1jor h SER 59 Cb 0.43 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1jor h SER 59 CO 0.06 0.84 -0.18 0.00 -0.87 0.00 0.00 176.83 176.68 1jor h ALA 60 N 1.27 1.10 0.00 5.18 0.00 -1.84 -2.25 119.26 122.73 1jor h ALA 60 Ca 0.31 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 1jor h ALA 60 Cb -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1jor h ALA 60 CO -0.05 0.22 -0.83 0.35 0.00 0.00 0.00 179.25 178.93 1jor h PHE 61 N 0.00 0.00 0.06 0.00 3.04 0.45 -0.42 116.94 120.07 1jor h PHE 61 Ca -0.00 0.00 -0.27 0.00 3.98 0.00 0.00 57.97 61.68 1jor h PHE 61 Cb 0.59 0.00 0.02 0.00 2.56 0.00 0.00 35.95 39.11 1jor h PHE 61 CO 0.00 0.83 -1.10 1.15 -2.02 0.00 0.00 178.31 177.17 1jor h THR 62 N 0.00 1.34 0.00 4.41 2.02 -0.79 -1.81 112.91 118.09 1jor h THR 62 Ca -0.01 -2.48 -0.18 0.00 0.77 0.00 0.00 66.41 64.51 1jor h THR 62 Cb 1.58 2.56 -0.03 0.00 -1.74 0.00 0.00 68.15 70.53 1jor h THR 62 CO 0.11 0.75 -0.89 0.50 0.37 0.00 0.00 175.52 176.36 1jor h LYS 63 N 0.27 0.00 -0.00 6.66 3.64 -1.46 -2.46 116.57 123.21 1jor h LYS 63 Ca -0.13 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.15 1jor h LYS 63 Cb 1.77 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.59 1jor h LYS 63 CO 0.20 0.82 -0.36 0.87 -2.27 0.00 0.00 179.45 178.71 1jor h LYS 64 N 0.00 0.25 -0.23 1.90 1.57 -1.10 -1.15 116.57 117.81 1jor h LYS 64 Ca -0.02 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.37 1jor h LYS 64 Cb 1.66 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 34.03 1jor h LYS 64 CO 0.11 0.97 -0.38 1.98 -0.57 0.00 0.00 179.45 181.56 1jor h MET 65 N -0.37 0.52 0.00 3.15 4.05 -1.43 -1.77 114.93 119.08 1jor h MET 65 Ca -0.04 -0.25 -0.14 0.00 -0.28 0.00 0.00 59.70 58.98 1jor h MET 65 Cb 1.09 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.87 1jor h MET 65 CO 0.07 0.82 -0.67 -0.39 0.23 0.00 0.00 176.91 176.97 1jor h VAL 66 N 0.43 1.33 0.23 -5.77 -1.51 -1.50 -0.83 116.25 108.62 1jor h VAL 66 Ca 0.04 -2.42 -0.01 0.00 -1.23 0.00 0.00 66.70 63.09 1jor h VAL 66 Cb 0.86 2.36 0.00 0.00 -2.13 0.00 0.00 31.29 32.38 1jor h VAL 66 CO 0.07 0.66 -0.11 -0.33 -1.23 0.00 0.00 177.57 176.63 1jor h GLU 67 N 0.00 -0.30 -0.68 5.19 4.39 -0.98 -3.33 114.58 118.88 1jor h GLU 67 Ca -0.01 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 1jor h GLU 67 Cb 1.30 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.99 1jor h GLU 67 CO 0.09 -0.10 0.24 -0.91 -1.16 0.00 0.00 179.01 177.16 1jor h ASN 68 N -1.05 0.98 -0.82 1.42 2.35 -1.44 -3.43 115.58 113.59 1jor h ASN 68 Ca -0.03 -0.20 -0.82 0.00 -0.55 0.00 0.00 56.30 54.71 1jor h ASN 68 Cb 0.33 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 1jor h ASN 68 CO 0.05 0.91 0.94 0.00 -1.65 0.00 0.00 177.43 177.68 1jor n ALA 69 N -2.41 -0.60 1.79 -0.83 0.00 -0.32 -4.75 120.51 113.38 1jor n ALA 69 Ca 0.05 0.37 0.15 0.00 0.00 0.00 0.00 53.44 54.01 1jor n ALA 69 Cb 0.20 -2.05 0.87 0.00 0.00 0.00 0.00 19.45 18.48 1jor n ALA 69 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jor n LYS 70 N 5.41 0.82 -3.52 0.00 4.76 -1.26 -4.53 118.16 119.84 1jor n LYS 70 Ca 0.37 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.58 1jor n LYS 70 Cb -0.01 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 31.54 1jor n LYS 70 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1jor s LYS 71 N -2.16 0.18 -0.38 1.97 1.02 -1.26 -5.05 119.74 114.07 1jor s LYS 71 Ca 0.41 -0.18 -0.11 0.00 0.02 0.00 0.00 55.97 56.11 1jor s LYS 71 Cb 0.21 -1.26 0.03 0.00 -0.52 0.00 0.00 37.83 36.29 1jor s LYS 71 CO 0.38 -0.85 0.21 0.42 -0.92 0.00 0.00 175.35 174.59 1jor s ILE 72 N 2.21 4.58 0.30 2.17 1.09 -1.26 -3.54 121.20 126.75 1jor s ILE 72 Ca 0.07 -0.87 0.10 0.00 -1.10 0.00 0.00 60.65 58.85 1jor s ILE 72 Cb -0.16 -3.56 -0.06 0.00 -1.06 0.00 0.00 42.46 37.62 1jor s ILE 72 CO -0.24 -0.24 -0.14 -1.61 -0.10 0.00 0.00 174.94 172.61 1jor s GLU 73 N 1.55 1.70 -0.01 2.79 2.02 -0.97 -1.68 118.70 124.11 1jor s GLU 73 Ca 0.02 -1.83 0.00 0.00 0.02 0.00 0.00 54.97 53.19 1jor s GLU 73 Cb -0.19 -1.64 0.01 0.00 0.10 0.00 0.00 34.13 32.40 1jor s GLU 73 CO 0.07 0.22 -0.01 0.14 0.02 0.00 0.00 175.26 175.69 1jor s VAL 74 N -2.63 0.12 -0.23 2.63 -7.23 -0.76 -1.57 120.40 110.73 1jor s VAL 74 Ca 0.30 -0.01 0.01 0.00 -1.81 0.00 0.00 61.98 60.47 1jor s VAL 74 Cb -0.01 -0.14 0.05 0.00 0.56 0.00 0.00 36.38 36.85 1jor s VAL 74 CO 0.15 0.06 -0.09 -0.70 -0.31 0.00 0.00 175.10 174.20 1jor s GLU 75 N 0.24 1.99 0.90 4.82 2.12 -0.83 -1.88 118.70 126.07 1jor s GLU 75 Ca -0.02 -1.05 -0.11 0.00 0.36 0.00 0.00 54.97 54.15 1jor s GLU 75 Cb -0.04 -2.63 0.13 0.00 0.26 0.00 0.00 34.13 31.86 1jor s GLU 75 CO -0.01 -0.52 1.09 -0.06 -0.54 0.00 0.00 175.26 175.23 1jor s PHE 76 N 1.30 2.18 0.52 5.30 0.08 -1.26 -1.86 117.98 124.24 1jor s PHE 76 Ca -0.05 1.38 0.07 0.00 0.12 0.00 0.00 56.93 58.44 1jor s PHE 76 Cb -0.18 -3.16 0.05 0.00 -0.57 0.00 0.00 43.02 39.16 1jor s PHE 76 CO -0.07 -2.48 0.72 0.34 -0.10 0.00 0.00 175.22 173.63 1jor s ASP 77 N -3.23 5.28 0.45 1.36 2.15 -1.26 -4.87 116.67 116.55 1jor s ASP 77 Ca 0.64 -0.49 0.24 0.00 0.43 0.00 0.00 52.55 53.36 1jor s ASP 77 Cb -0.19 -0.31 1.02 0.00 -0.30 0.00 0.00 42.92 43.15 1jor s ASP 77 CO 0.58 -1.13 1.88 0.11 -0.17 0.00 0.00 175.17 176.44 1jor h LYS 78 N 0.28 0.00 0.00 4.34 1.57 -1.96 -3.44 116.57 117.35 1jor h LYS 78 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1jor h LYS 78 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1jor h LYS 78 CO 0.44 0.23 0.00 0.41 -0.57 0.00 0.00 179.45 179.96 1jor n GLY 79 N -0.10 -1.36 3.55 3.86 0.00 -1.26 -4.95 105.19 104.92 1jor n GLY 79 Ca -0.01 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 1jor n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jor n GLN 80 N 0.00 -0.20 -0.06 1.61 6.02 -1.26 -4.95 117.38 118.53 1jor n GLN 80 Ca 0.00 -0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.77 1jor n GLN 80 Cb 0.00 -2.13 -0.13 0.00 1.02 0.00 0.00 30.24 29.01 1jor n GLN 80 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1jor n ARG 81 N -2.71 0.67 -4.65 -1.09 3.00 -1.26 -4.61 116.66 106.02 1jor n ARG 81 Ca 0.10 0.32 -0.29 0.00 -0.01 0.00 0.00 57.85 57.97 1jor n ARG 81 Cb 0.52 -1.66 -0.10 0.00 0.00 0.00 0.00 32.46 31.22 1jor n ARG 81 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1jor s THR 82 N -2.50 1.72 0.00 0.55 -4.23 -1.26 -0.66 115.64 109.26 1jor s THR 82 Ca -0.28 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.23 1jor s THR 82 Cb 0.08 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1jor s THR 82 CO 0.66 0.00 0.00 -0.67 -0.54 0.00 0.00 174.62 174.07 1jor n ASP 83 N -1.04 0.01 0.06 3.99 2.03 -0.80 -4.79 116.55 116.01 1jor n ASP 83 Ca -0.09 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.18 1jor n ASP 83 Cb 0.67 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.98 1jor n ASP 83 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1jor h LYS 84 N 0.00 0.00 -0.11 -0.67 1.57 -2.02 -3.17 116.57 112.17 1jor h LYS 84 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jor h LYS 84 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1jor h LYS 84 CO 0.00 0.75 0.00 0.66 -0.57 0.00 0.00 179.45 180.29 1jor n TYR 85 N -3.24 0.15 -1.73 -1.35 4.02 -1.26 -4.85 117.16 108.91 1jor n TYR 85 Ca -0.03 -0.07 -0.02 0.00 -0.01 0.00 0.00 57.90 57.76 1jor n TYR 85 Cb 0.91 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 40.22 1jor n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jor n GLY 86 N 0.84 0.37 3.84 2.72 0.00 -1.20 -5.02 105.19 106.74 1jor n GLY 86 Ca 0.10 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 1jor n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jor s ARG 87 N -3.49 3.97 -0.98 1.61 3.00 -1.26 -4.28 118.95 117.52 1jor s ARG 87 Ca 0.00 0.89 -0.18 0.00 0.00 0.00 0.00 55.73 56.45 1jor s ARG 87 Cb 0.00 -2.20 0.14 0.00 0.00 0.00 0.00 34.95 32.90 1jor s ARG 87 CO 0.00 -0.18 1.17 0.20 0.00 0.00 0.00 175.30 176.50 1jor s GLY 88 N -2.90 2.06 -0.55 -3.53 0.00 0.28 -1.90 107.32 100.78 1jor s GLY 88 Ca 0.58 -2.91 -0.27 0.00 0.00 0.00 0.00 44.72 42.12 1jor s GLY 88 CO 0.28 1.99 1.74 1.08 0.00 0.00 0.00 173.10 178.18 1jor s LEU 89 N 2.35 3.35 0.00 0.66 1.43 0.17 -1.99 118.68 124.65 1jor s LEU 89 Ca 0.34 0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 53.89 1jor s LEU 89 Cb -0.05 -2.83 0.01 0.00 0.03 0.00 0.00 46.19 43.36 1jor s LEU 89 CO -0.08 -2.09 0.19 0.00 0.23 0.00 0.00 176.35 174.60 1jor n ALA 90 N 11.51 -0.47 -2.65 4.21 0.00 -1.24 -4.25 120.51 127.61 1jor n ALA 90 Ca 0.19 -0.23 -0.32 0.00 0.00 0.00 0.00 53.44 53.07 1jor n ALA 90 Cb 0.50 0.15 -0.09 0.00 0.00 0.00 0.00 19.45 20.01 1jor n ALA 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1jor s TYR 91 N -6.16 3.01 -0.03 0.00 2.02 -0.78 -2.17 117.35 113.24 1jor s TYR 91 Ca 0.04 0.04 -0.03 0.00 -0.37 0.00 0.00 57.07 56.76 1jor s TYR 91 Cb -0.01 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 39.86 1jor s TYR 91 CO 0.02 0.43 0.13 0.42 -1.57 0.00 0.00 175.55 174.98 1jor s ILE 92 N -1.05 5.15 -0.23 2.71 -1.09 -1.26 -1.96 121.20 123.47 1jor s ILE 92 Ca 0.18 -0.19 -0.01 0.00 -2.23 0.00 0.00 60.65 58.40 1jor s ILE 92 Cb -0.11 -3.35 0.07 0.00 -1.58 0.00 0.00 42.46 37.48 1jor s ILE 92 CO 0.09 0.39 0.00 -0.31 -1.23 0.00 0.00 174.94 173.89 1jor s TYR 93 N -1.21 1.79 -0.16 3.97 2.02 -0.61 -1.04 117.35 122.12 1jor s TYR 93 Ca 0.23 -1.42 0.01 0.00 -0.37 0.00 0.00 57.07 55.52 1jor s TYR 93 Cb -0.12 -1.40 0.00 0.00 -0.40 0.00 0.00 41.96 40.04 1jor s TYR 93 CO 0.14 -0.72 -0.17 0.00 -1.57 0.00 0.00 175.55 173.22 1jor s ALA 94 N 1.60 2.43 -1.05 3.71 0.00 -0.50 -2.29 121.76 125.65 1jor s ALA 94 Ca -0.02 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1jor s ALA 94 Cb -0.18 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.76 1jor s ALA 94 CO -0.09 -0.08 0.00 -0.25 0.00 0.00 0.00 175.76 175.34 1jor n ASP 95 N 4.14 -3.93 -0.08 0.00 8.00 -1.23 -1.97 116.55 121.49 1jor n ASP 95 Ca -0.19 0.10 -0.01 0.00 0.71 0.00 0.00 54.79 55.40 1jor n ASP 95 Cb 0.51 -2.87 -0.00 0.00 -0.02 0.00 0.00 41.12 38.74 1jor n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jor n GLY 96 N -1.24 0.45 3.15 0.44 0.00 -1.26 -5.00 105.19 101.73 1jor n GLY 96 Ca -0.13 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 1jor n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jor s LYS 97 N -0.86 2.68 -0.39 1.61 1.02 -0.83 -5.06 119.74 117.91 1jor s LYS 97 Ca 0.00 -0.75 -0.27 0.00 0.02 0.00 0.00 55.97 54.97 1jor s LYS 97 Cb 0.00 -2.09 -0.07 0.00 -0.52 0.00 0.00 37.83 35.15 1jor s LYS 97 CO 0.00 0.09 2.34 -0.12 -0.92 0.00 0.00 175.35 176.74 1jor n MET 98 N 3.74 1.38 -0.31 1.68 0.00 -1.26 -1.41 117.12 120.93 1jor n MET 98 Ca -0.20 0.22 0.19 0.00 -0.00 0.00 0.00 57.70 57.90 1jor n MET 98 Cb 0.52 -3.30 0.45 0.00 0.00 0.00 0.00 33.22 30.90 1jor n MET 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1jor h VAL 99 N 7.48 0.62 0.16 1.12 2.07 -1.39 -0.16 116.25 126.14 1jor h VAL 99 Ca -0.30 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1jor h VAL 99 Cb 1.26 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1jor h VAL 99 CO 1.08 0.09 -0.08 0.78 0.02 0.00 0.00 177.57 179.46 1jor h ASN 100 N 0.51 -0.20 0.20 0.57 4.21 -1.87 -1.05 115.58 117.95 1jor h ASN 100 Ca 0.56 0.01 -0.01 0.00 1.21 0.00 0.00 56.30 58.08 1jor h ASN 100 Cb 1.23 0.06 -0.00 0.00 -1.12 0.00 0.00 38.32 38.49 1jor h ASN 100 CO -0.30 -0.14 -0.03 -0.08 -1.29 0.00 0.00 177.43 175.59 1jor h GLU 101 N -0.22 0.00 0.07 0.81 4.22 -1.41 -1.86 114.58 116.18 1jor h GLU 101 Ca -0.02 0.00 -0.27 0.00 0.08 0.00 0.00 59.36 59.15 1jor h GLU 101 Cb 0.18 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.44 1jor h GLU 101 CO 0.03 0.03 -1.13 0.00 -2.18 0.00 0.00 179.01 175.75 1jor h ALA 102 N 1.97 0.15 -0.39 2.92 0.00 -0.30 -2.41 119.26 121.21 1jor h ALA 102 Ca -0.00 -0.77 -0.13 0.00 0.00 0.00 0.00 54.91 54.01 1jor h ALA 102 Cb 0.13 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1jor h ALA 102 CO 0.00 0.79 -0.27 -0.07 0.00 0.00 0.00 179.25 179.69 1jor h LEU 103 N 0.23 0.85 -0.32 0.00 3.38 -0.43 -2.02 115.31 117.01 1jor h LEU 103 Ca -0.14 -0.33 -0.14 0.00 0.09 0.00 0.00 57.88 57.36 1jor h LEU 103 Cb 1.80 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 42.31 1jor h LEU 103 CO 0.20 1.07 -0.35 0.58 0.09 0.00 0.00 178.44 180.03 1jor h VAL 104 N 0.70 1.29 -0.12 1.22 2.07 -1.50 -2.31 116.25 117.60 1jor h VAL 104 Ca 0.08 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.08 1jor h VAL 104 Cb 0.81 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1jor h VAL 104 CO 0.07 0.50 0.07 -0.09 0.02 0.00 0.00 177.57 178.13 1jor h ARG 105 N 0.58 0.16 0.00 1.57 2.43 -1.33 -1.68 114.38 116.12 1jor h ARG 105 Ca 0.05 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1jor h ARG 105 Cb 0.93 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1jor h ARG 105 CO 0.09 0.17 -0.04 1.96 -1.51 0.00 0.00 179.97 180.64 1jor h GLN 106 N 0.11 0.00 0.00 0.20 1.08 -1.35 -3.41 115.11 111.73 1jor h GLN 106 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1jor h GLN 106 Cb 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1jor h GLN 106 CO -0.01 0.04 0.00 0.41 -0.95 0.00 0.00 178.83 178.32 1jor n GLY 107 N -1.12 0.68 1.79 3.46 0.00 -0.63 -4.35 105.19 105.03 1jor n GLY 107 Ca -0.03 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.32 1jor n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jor n LEU 108 N 0.00 5.39 -3.94 0.99 4.77 -0.91 -2.79 117.00 120.51 1jor n LEU 108 Ca 0.00 -2.74 -0.01 0.00 -0.03 0.00 0.00 56.01 53.23 1jor n LEU 108 Cb 0.20 -0.68 0.02 0.00 -2.33 0.00 0.00 43.42 40.63 1jor n LEU 108 CO 0.00 0.61 0.93 0.00 -1.33 0.00 0.00 177.39 177.60 1jor s ALA 109 N -2.63 -1.94 0.26 -1.18 0.00 -1.25 -4.72 121.76 110.30 1jor s ALA 109 Ca 0.50 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.25 1jor s ALA 109 Cb 0.38 0.84 -0.05 0.00 0.00 0.00 0.00 23.12 24.29 1jor s ALA 109 CO 0.14 -1.10 0.06 0.15 0.00 0.00 0.00 175.76 175.01 1jor s LYS 110 N -2.05 1.42 -0.15 0.00 1.02 -0.94 -4.82 119.74 114.21 1jor s LYS 110 Ca 0.26 -1.75 -0.29 0.00 0.02 0.00 0.00 55.97 54.20 1jor s LYS 110 Cb -0.02 -0.48 -0.01 0.00 -0.52 0.00 0.00 37.83 36.80 1jor s LYS 110 CO 0.03 -0.21 1.21 0.08 -0.92 0.00 0.00 175.35 175.54 1jor s VAL 111 N -3.57 4.36 0.98 3.17 1.01 -1.26 -0.86 120.40 124.22 1jor s VAL 111 Ca 0.34 1.65 -0.12 0.00 0.00 0.00 0.00 61.98 63.85 1jor s VAL 111 Cb 0.07 -4.06 0.18 0.00 0.00 0.00 0.00 36.38 32.57 1jor s VAL 111 CO 0.12 -0.11 1.08 0.00 0.00 0.00 0.00 175.10 176.20 1jor s ALA 112 N 3.12 0.96 0.18 5.51 0.00 -0.97 -4.78 121.76 125.78 1jor s ALA 112 Ca 0.53 -0.11 -0.33 0.00 0.00 0.00 0.00 51.96 52.05 1jor s ALA 112 Cb -0.21 -3.20 -0.13 0.00 0.00 0.00 0.00 23.12 19.57 1jor s ALA 112 CO 0.15 -2.82 1.60 0.66 0.00 0.00 0.00 175.76 175.35 1jor n TYR 113 N -4.20 2.40 -3.36 0.00 4.02 -1.26 -4.69 117.16 110.06 1jor n TYR 113 Ca 0.06 0.23 -0.38 0.00 -0.01 0.00 0.00 57.90 57.80 1jor n TYR 113 Cb 0.55 -2.57 -0.06 0.00 -0.02 0.00 0.00 39.34 37.24 1jor n TYR 113 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1jor s VAL 114 N 0.87 5.21 -0.10 -0.72 1.01 -1.26 -4.79 120.40 120.62 1jor s VAL 114 Ca 0.77 0.85 0.00 0.00 0.00 0.00 0.00 61.98 63.60 1jor s VAL 114 Cb -0.63 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.00 1jor s VAL 114 CO 0.38 0.32 -0.08 -0.31 0.00 0.00 0.00 175.10 175.41 1jor s TYR 115 N 0.71 1.43 0.84 5.22 2.02 -1.26 -5.07 117.35 121.23 1jor s TYR 115 Ca 0.23 -0.65 -0.11 0.00 -0.37 0.00 0.00 57.07 56.17 1jor s TYR 115 Cb -0.15 -1.15 0.10 0.00 -0.40 0.00 0.00 41.96 40.36 1jor s TYR 115 CO 0.09 -0.43 1.14 0.15 -1.57 0.00 0.00 175.55 174.92 1jor s LYS 116 N 1.41 1.58 -0.00 -0.62 1.02 -1.26 -1.03 119.74 120.83 1jor s LYS 116 Ca -0.01 1.48 0.01 0.00 0.02 0.00 0.00 55.97 57.47 1jor s LYS 116 Cb -0.13 -1.80 0.03 0.00 -0.52 0.00 0.00 37.83 35.41 1jor s LYS 116 CO -0.05 -2.20 0.95 -0.35 -0.92 0.00 0.00 175.35 172.78 1jor n PRO 117 N -3.75 1.09 -1.93 -1.68 -0.04 -1.26 -5.01 135.00 122.41 1jor n PRO 117 Ca 0.11 -0.12 -0.25 0.00 -0.04 0.00 0.00 63.50 63.20 1jor n PRO 117 Cb 0.52 -1.10 -0.05 0.00 -0.04 0.00 0.00 33.50 32.83 1jor n PRO 117 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1jor s ASN 118 N -0.85 4.87 -0.36 3.54 0.01 -0.20 -4.50 114.94 117.44 1jor s ASN 118 Ca 0.02 -0.36 0.12 0.00 -0.71 0.00 0.00 52.86 51.93 1jor s ASN 118 Cb 0.01 -2.55 0.41 0.00 0.41 0.00 0.00 41.25 39.53 1jor s ASN 118 CO 0.01 -2.95 1.34 -3.20 -1.51 0.00 0.00 177.10 170.79 1jor n ASN 119 N 14.91 -1.10 -0.00 -1.22 2.85 -1.26 -4.21 115.26 125.22 1jor n ASN 119 Ca 0.39 -2.40 -0.22 0.00 -0.11 0.00 0.00 54.58 52.24 1jor n ASN 119 Cb 0.47 0.62 -0.14 0.00 1.24 0.00 0.00 39.78 41.97 1jor n ASN 119 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1jor h THR 120 N 2.90 0.70 -0.56 -0.44 2.02 -2.00 -3.38 112.91 112.14 1jor h THR 120 Ca -0.29 -2.34 -0.37 0.00 0.77 0.00 0.00 66.41 64.18 1jor h THR 120 Cb 1.28 2.50 -0.24 0.00 -1.74 0.00 0.00 68.15 69.95 1jor h THR 120 CO -0.01 0.82 -0.24 1.41 0.37 0.00 0.00 175.52 177.88 1jor n HIS 121 N -3.62 1.92 -0.06 3.16 8.25 -1.26 -4.73 115.22 118.88 1jor n HIS 121 Ca -0.31 -2.04 -0.02 0.00 -0.26 0.00 0.00 57.72 55.09 1jor n HIS 121 Cb 1.00 -0.57 -0.01 0.00 1.12 0.00 0.00 29.99 31.53 1jor n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1jor h GLU 122 N 1.57 0.00 -1.02 -0.41 4.22 -1.93 -2.66 114.58 114.36 1jor h GLU 122 Ca 0.32 0.00 0.25 0.00 0.08 0.00 0.00 59.36 60.01 1jor h GLU 122 Cb 1.44 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.59 1jor h GLU 122 CO 0.67 0.07 0.64 1.96 -2.18 0.00 0.00 179.01 180.18 1jor h GLN 123 N -1.00 0.47 0.04 1.92 4.20 -1.87 0.13 115.11 119.01 1jor h GLN 123 Ca -0.01 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1jor h GLN 123 Cb 0.17 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1jor h GLN 123 CO -0.00 0.31 -0.02 1.25 -0.67 0.00 0.00 178.83 179.70 1jor h LEU 124 N 0.49 -0.05 -0.74 1.46 5.85 -1.88 -2.30 115.31 118.13 1jor h LEU 124 Ca 0.60 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1jor h LEU 124 Cb 1.34 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1jor h LEU 124 CO -0.34 0.33 0.00 0.18 -0.34 0.00 0.00 178.44 178.26 1jor n LEU 125 N -4.94 0.39 0.09 2.25 4.77 -0.03 -1.76 117.00 117.78 1jor n LEU 125 Ca -0.08 0.65 -0.23 0.00 -0.03 0.00 0.00 56.01 56.32 1jor n LEU 125 Cb 0.21 -0.65 -0.15 0.00 -2.33 0.00 0.00 43.42 40.50 1jor n LEU 125 CO 0.33 -0.66 -0.44 -0.09 -1.33 0.00 0.00 177.39 175.20 1jor h ARG 126 N 0.00 0.42 -0.04 3.23 2.43 -0.32 -1.84 114.38 118.26 1jor h ARG 126 Ca 0.00 -0.71 -0.22 0.00 -0.81 0.00 0.00 59.98 58.24 1jor h ARG 126 Cb 0.13 0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1jor h ARG 126 CO 0.00 1.33 -0.88 -0.22 -1.51 0.00 0.00 179.97 178.70 1jor h LYS 127 N 0.11 0.48 0.01 0.20 1.63 -0.85 -1.52 116.57 116.63 1jor h LYS 127 Ca -0.31 -0.46 -0.23 0.00 -0.85 0.00 0.00 60.65 58.79 1jor h LYS 127 Cb 2.11 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 33.86 1jor h LYS 127 CO 0.20 1.10 -0.97 1.03 -3.45 0.00 0.00 179.45 177.37 1jor h SER 128 N 0.29 0.55 -0.28 4.20 0.87 -1.47 -2.45 113.55 115.26 1jor h SER 128 Ca -0.07 -0.45 -0.17 0.00 -1.23 0.00 0.00 61.79 59.88 1jor h SER 128 Cb 1.50 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1jor h SER 128 CO 0.16 1.25 -0.46 -0.08 -0.53 0.00 0.00 176.83 177.17 1jor h GLU 129 N 0.23 0.85 -0.60 2.24 4.22 -1.34 -2.68 114.58 117.49 1jor h GLU 129 Ca -0.09 -0.48 -0.10 0.00 0.08 0.00 0.00 59.36 58.77 1jor h GLU 129 Cb 1.61 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.87 1jor h GLU 129 CO 0.17 1.12 -0.01 0.00 -2.18 0.00 0.00 179.01 178.11 1jor h ALA 130 N 0.80 0.81 -0.15 2.92 0.00 -1.29 -1.78 119.26 120.57 1jor h ALA 130 Ca 0.04 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.64 1jor h ALA 130 Cb 1.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1jor h ALA 130 CO 0.10 0.66 0.06 0.37 0.00 0.00 0.00 179.25 180.44 1jor h GLN 131 N 0.96 0.13 -0.93 0.00 4.15 -1.34 0.45 115.11 118.54 1jor h GLN 131 Ca 0.17 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.59 1jor h GLN 131 Cb 0.57 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.19 1jor h GLN 131 CO 0.03 0.09 0.60 0.00 -1.93 0.00 0.00 178.83 177.62 1jor h ALA 132 N 1.08 1.18 0.00 3.38 0.00 -1.34 0.60 119.26 124.17 1jor h ALA 132 Ca 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1jor h ALA 132 Cb 0.03 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1jor h ALA 132 CO -0.05 0.59 -0.04 0.87 0.00 0.00 0.00 179.25 180.61 1jor h LYS 133 N 1.26 0.00 0.00 0.00 1.57 -0.61 -0.98 116.57 117.81 1jor h LYS 133 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1jor h LYS 133 Cb -0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1jor h LYS 133 CO -0.07 0.04 -0.76 -0.22 -0.57 0.00 0.00 179.45 177.87 1jor h LYS 134 N 0.00 0.00 -0.00 3.15 3.64 0.13 -3.30 116.57 120.19 1jor h LYS 134 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jor h LYS 134 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1jor h LYS 134 CO 0.01 0.00 -0.94 0.39 -2.27 0.00 0.00 179.45 176.64 1jor n GLU 135 N -2.51 0.07 -3.39 1.90 -0.58 -0.48 -4.98 120.64 110.67 1jor n GLU 135 Ca 0.02 -0.06 -0.17 0.00 -0.42 0.00 0.00 57.16 56.53 1jor n GLU 135 Cb 0.51 -1.50 0.09 0.00 -0.57 0.00 0.00 31.44 29.96 1jor n GLU 135 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1jor n LYS 136 N -1.41 -5.83 -3.35 3.49 5.02 -0.46 -4.84 118.16 110.78 1jor n LYS 136 Ca 0.04 0.85 -0.38 0.00 -2.02 0.00 0.00 58.31 56.80 1jor n LYS 136 Cb 0.34 -5.86 -0.06 0.00 -0.02 0.00 0.00 35.03 29.43 1jor n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jor s LEU 137 N -6.18 4.49 0.00 -0.35 1.43 -1.18 -1.72 118.68 115.17 1jor s LEU 137 Ca 0.08 1.12 0.00 0.00 -1.03 0.00 0.00 54.13 54.31 1jor s LEU 137 Cb -0.01 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.43 1jor s LEU 137 CO 0.73 0.26 0.00 0.59 0.23 0.00 0.00 176.35 178.16 1jor n ASN 138 N 1.95 0.00 0.02 2.29 3.02 -1.26 -0.19 115.26 121.08 1jor n ASN 138 Ca -0.11 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.32 1jor n ASN 138 Cb 0.51 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.62 1jor n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1jor h ILE 139 N 0.00 1.03 0.00 2.41 2.04 -1.84 -0.52 117.51 120.63 1jor h ILE 139 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1jor h ILE 139 Cb 0.00 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1jor h ILE 139 CO 0.00 0.02 0.00 0.79 0.00 0.00 0.00 178.15 178.96 1jor n TRP 140 N -5.04 0.00 -1.14 1.37 5.03 0.73 -3.40 117.44 114.98 1jor n TRP 140 Ca -0.06 0.00 -0.17 0.00 3.03 0.00 0.00 57.50 60.30 1jor n TRP 140 Cb 0.04 -0.41 -0.11 0.00 -1.03 0.00 0.00 31.31 29.80 1jor n TRP 140 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 1jor n SER 141 N -1.41 5.76 0.19 -0.99 2.88 -0.20 -4.04 113.62 115.81 1jor n SER 141 Ca 0.04 -2.77 0.07 0.00 -1.33 0.00 0.00 58.87 54.88 1jor n SER 141 Cb 0.10 -1.31 0.28 0.00 -0.75 0.00 0.00 64.21 62.53 1jor n SER 141 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1jor h GLU 142 N 2.79 0.00 -3.59 -1.46 4.39 -1.76 -3.41 114.58 111.54 1jor h GLU 142 Ca 0.26 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.40 1jor h GLU 142 Cb 1.16 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.42 1jor h GLU 142 CO 0.48 0.32 -0.76 0.34 -1.16 0.00 0.00 179.01 178.22 1jor s ASP 143 N -6.30 3.60 -0.32 1.42 -1.08 -1.26 -4.98 116.67 107.75 1jor s ASP 143 Ca 0.02 -1.30 0.18 0.00 -0.52 0.00 0.00 52.55 50.94 1jor s ASP 143 Cb 0.09 -0.78 0.46 0.00 -1.46 0.00 0.00 42.92 41.23 1jor s ASP 143 CO 0.68 -0.36 0.99 -3.20 0.52 0.00 0.00 175.17 173.80 1jor n ASN 144 N 4.92 1.28 -2.25 -0.34 4.05 -1.26 -4.87 115.26 116.79 1jor n ASN 144 Ca -0.06 -2.61 -0.02 0.00 0.45 0.00 0.00 54.58 52.34 1jor n ASN 144 Cb 0.44 -0.44 0.08 0.00 1.23 0.00 0.00 39.78 41.09 1jor n ASN 144 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1jor n ALA 145 N -0.16 1.94 -2.44 5.20 0.00 -1.26 -5.13 120.51 118.66 1jor n ALA 145 Ca 0.08 -0.76 -0.32 0.00 0.00 0.00 0.00 53.44 52.44 1jor n ALA 145 Cb 0.82 -0.70 -0.14 0.00 0.00 0.00 0.00 19.45 19.43 1jor n ALA 145 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jor s ASP 146 N -0.87 3.78 0.00 0.00 2.15 -1.26 -4.93 116.67 115.54 1jor s ASP 146 Ca 0.06 -0.30 0.00 0.00 0.43 0.00 0.00 52.55 52.74 1jor s ASP 146 Cb 0.31 -0.69 0.00 0.00 -0.30 0.00 0.00 42.92 42.24 1jor s ASP 146 CO -0.09 0.32 0.00 -0.24 -0.17 0.00 0.00 175.17 174.99 1jor n SER 147 N 2.16 0.00 -3.41 -0.34 2.88 -1.26 -5.16 113.62 108.49 1jor n SER 147 Ca -0.17 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.32 1jor n SER 147 Cb 0.52 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.98 1jor n SER 147 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1jor s GLY 148 N -0.93 0.07 0.00 0.46 0.00 -1.26 -5.35 107.32 100.31 1jor s GLY 148 Ca 0.00 -0.35 0.28 0.00 0.00 0.00 0.00 44.72 44.65 1jor s GLY 148 CO 0.00 0.51 2.01 -0.18 0.00 0.00 0.00 173.10 175.43