#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jor h THR 2 N 0.00 0.78 -4.54 0.00 1.35 -2.12 -3.46 112.91 104.92 1jor h THR 2 Ca 0.00 -1.67 -0.44 0.00 -0.55 0.00 0.00 66.41 63.74 1jor h THR 2 Cb 0.00 2.07 -0.09 0.00 -1.73 0.00 0.00 68.15 68.40 1jor h THR 2 CO 0.00 0.37 -0.36 -0.24 -0.25 0.00 0.00 175.52 175.05 1jor n SER 3 N -3.37 1.72 -3.16 5.36 2.88 -1.26 -5.09 113.62 110.69 1jor n SER 3 Ca 0.01 -2.65 -0.23 0.00 -1.33 0.00 0.00 58.87 54.67 1jor n SER 3 Cb 0.57 0.63 -0.05 0.00 -0.75 0.00 0.00 64.21 64.62 1jor n SER 3 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1jor n THR 4 N -0.77 0.78 -1.84 2.46 -1.04 -1.26 -5.02 114.28 107.58 1jor n THR 4 Ca -0.08 -4.77 -0.02 0.00 -2.04 0.00 0.00 64.05 57.15 1jor n THR 4 Cb 0.47 -1.14 -0.01 0.00 -1.82 0.00 0.00 70.33 67.83 1jor n THR 4 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1jor n LYS 5 N 0.49 -2.32 -2.90 -2.82 5.02 -1.26 -4.91 118.16 109.46 1jor n LYS 5 Ca 0.26 1.98 -0.43 0.00 -2.02 0.00 0.00 58.31 58.10 1jor n LYS 5 Cb 0.54 -2.74 -0.05 0.00 -0.02 0.00 0.00 35.03 32.76 1jor n LYS 5 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1jor s LYS 6 N -1.07 3.66 -0.28 1.97 2.20 -1.26 -4.99 119.74 119.96 1jor s LYS 6 Ca -0.08 0.25 -0.10 0.00 -0.36 0.00 0.00 55.97 55.68 1jor s LYS 6 Cb 0.01 -3.86 0.12 0.00 -1.51 0.00 0.00 37.83 32.59 1jor s LYS 6 CO 0.21 -1.00 0.62 -1.17 -0.36 0.00 0.00 175.35 173.65 1jor s LEU 7 N 3.35 -1.06 0.00 5.43 2.96 -1.26 -5.03 118.68 123.07 1jor s LEU 7 Ca 0.34 1.49 0.00 0.00 -0.22 0.00 0.00 54.13 55.74 1jor s LEU 7 Cb -0.12 2.18 0.00 0.00 0.50 0.00 0.00 46.19 48.75 1jor s LEU 7 CO 0.20 -0.22 0.00 1.41 -1.32 0.00 0.00 176.35 176.42 1jor n HIS 8 N 5.36 0.00 -4.53 5.38 8.25 -1.26 -5.15 115.22 123.26 1jor n HIS 8 Ca -0.12 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.03 1jor n HIS 8 Cb 0.50 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.49 1jor n HIS 8 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1jor s LYS 9 N -1.88 2.16 0.14 -0.41 1.02 -1.26 -4.63 119.74 114.88 1jor s LYS 9 Ca 0.00 -0.95 0.11 0.00 0.02 0.00 0.00 55.97 55.15 1jor s LYS 9 Cb 0.00 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 35.00 1jor s LYS 9 CO 0.00 0.54 -0.25 -1.21 -0.92 0.00 0.00 175.35 173.51 1jor s GLU 10 N -1.59 1.47 0.41 1.68 0.41 -1.02 -4.93 118.70 115.13 1jor s GLU 10 Ca 0.16 -1.37 -0.23 0.00 -0.41 0.00 0.00 54.97 53.12 1jor s GLU 10 Cb -0.11 -1.91 -0.10 0.00 -1.78 0.00 0.00 34.13 30.24 1jor s GLU 10 CO 0.07 0.44 1.00 -1.25 -0.49 0.00 0.00 175.26 175.03 1jor s PRO 11 N -2.22 4.18 0.11 0.39 0.04 -1.26 -1.30 135.00 134.94 1jor s PRO 11 Ca 0.16 1.32 -0.11 0.00 0.04 0.00 0.00 61.00 62.41 1jor s PRO 11 Cb -0.10 -2.37 0.01 0.00 0.04 0.00 0.00 34.50 32.08 1jor s PRO 11 CO 0.07 -0.10 0.27 0.00 0.04 0.00 0.00 177.00 177.28 1jor s ALA 12 N -1.89 -0.42 -0.29 8.56 0.00 -0.41 -4.73 121.76 122.59 1jor s ALA 12 Ca 0.60 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 52.11 1jor s ALA 12 Cb -0.16 0.59 0.07 0.00 0.00 0.00 0.00 23.12 23.63 1jor s ALA 12 CO 0.20 -0.57 -0.05 0.99 0.00 0.00 0.00 175.76 176.34 1jor s THR 13 N -3.86 2.28 0.17 0.00 2.01 -0.95 -4.47 115.64 110.83 1jor s THR 13 Ca 0.06 -1.86 -0.32 0.00 0.31 0.00 0.00 61.69 59.88 1jor s THR 13 Cb 0.04 -2.46 -0.17 0.00 0.01 0.00 0.00 72.50 69.92 1jor s THR 13 CO -0.10 -0.23 0.91 -0.11 -0.69 0.00 0.00 174.62 174.41 1jor n LEU 14 N 4.39 0.38 0.04 4.42 7.94 -1.26 -0.87 117.00 132.04 1jor n LEU 14 Ca -0.08 1.15 -0.01 0.00 -1.11 0.00 0.00 56.01 55.96 1jor n LEU 14 Cb 0.42 -1.09 -0.00 0.00 0.53 0.00 0.00 43.42 43.28 1jor n LEU 14 CO 0.22 -1.98 -0.06 -0.38 -1.11 0.00 0.00 177.39 174.08 1jor n ILE 15 N 0.82 1.23 -3.15 1.96 5.41 -0.72 -4.78 119.36 120.13 1jor n ILE 15 Ca 0.16 0.38 0.04 0.00 1.00 0.00 0.00 62.75 64.33 1jor n ILE 15 Cb 0.23 -1.64 -0.01 0.00 -0.71 0.00 0.00 39.64 37.51 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 -2.05 0.53 -0.18 0.38 2.20 -0.93 -5.02 119.74 114.68 1jor s LYS 16 Ca -0.02 0.90 -0.29 0.00 -0.36 0.00 0.00 55.97 56.19 1jor s LYS 16 Cb 0.00 0.49 -0.01 0.00 -1.51 0.00 0.00 37.83 36.80 1jor s LYS 16 CO 0.04 -0.63 1.20 0.00 -0.36 0.00 0.00 175.35 175.59 1jor s ALA 17 N 2.87 3.66 -0.01 3.13 0.00 -1.26 -1.65 121.76 128.49 1jor s ALA 17 Ca 0.18 0.39 -0.03 0.00 0.00 0.00 0.00 51.96 52.50 1jor s ALA 17 Cb -0.14 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 1jor s ALA 17 CO -0.21 -1.11 0.45 0.82 0.00 0.00 0.00 175.76 175.70 1jor h ILE 18 N 5.45 0.00 -1.66 0.00 2.04 -1.42 -3.47 117.51 118.44 1jor h ILE 18 Ca -0.25 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1jor h ILE 18 Cb 1.10 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1jor h ILE 18 CO 0.97 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 178.45 1jor n ASP 19 N -2.73 0.72 -0.63 1.72 2.03 -0.69 -4.99 116.55 111.99 1jor n ASP 19 Ca -0.02 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.38 1jor n ASP 19 Cb 0.05 0.00 0.29 0.00 -0.72 0.00 0.00 41.12 40.74 1jor n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jor n GLY 20 N 4.50 0.52 0.00 0.27 0.00 -1.26 -4.27 105.19 104.94 1jor n GLY 20 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 0.47 1.13 -4.47 1.61 9.92 -1.26 -4.83 116.55 119.12 1jor n ASP 21 Ca 0.15 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.98 1jor n ASP 21 Cb 0.34 0.02 -0.09 0.00 -0.64 0.00 0.00 41.12 40.74 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 -1.27 5.20 -0.02 -3.53 2.01 -1.26 -2.09 115.64 114.68 1jor s THR 22 Ca 0.00 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.49 1jor s THR 22 Cb 0.00 -3.97 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 1jor s THR 22 CO 0.00 -0.36 -0.15 0.68 -0.69 0.00 0.00 174.62 174.11 1jor s VAL 23 N 1.85 1.17 -0.10 3.82 -7.23 -0.49 -1.03 120.40 118.39 1jor s VAL 23 Ca 0.08 -0.62 -0.17 0.00 -1.81 0.00 0.00 61.98 59.46 1jor s VAL 23 Cb -0.18 -0.99 -0.05 0.00 0.56 0.00 0.00 36.38 35.72 1jor s VAL 23 CO 0.11 0.34 0.43 -0.75 -0.31 0.00 0.00 175.10 174.92 1jor s LYS 24 N -0.22 4.25 0.37 4.82 2.20 -0.66 -0.75 119.74 129.75 1jor s LYS 24 Ca 0.03 0.38 0.04 0.00 -0.36 0.00 0.00 55.97 56.06 1jor s LYS 24 Cb -0.07 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.83 1jor s LYS 24 CO 0.00 0.28 0.15 -0.51 -0.36 0.00 0.00 175.35 174.91 1jor s LEU 25 N 0.27 1.89 -0.41 5.43 1.43 -1.04 -1.76 118.68 124.49 1jor s LEU 25 Ca 0.24 -1.63 -0.13 0.00 -1.03 0.00 0.00 54.13 51.58 1jor s LEU 25 Cb -0.15 0.04 0.04 0.00 0.03 0.00 0.00 46.19 46.15 1jor s LEU 25 CO 0.10 -0.91 0.27 -0.32 0.23 0.00 0.00 176.35 175.72 1jor s MET 26 N -3.72 2.87 -0.06 1.70 -2.45 -0.05 -2.48 119.30 115.11 1jor s MET 26 Ca 0.30 -1.15 0.04 0.00 -1.25 0.00 0.00 55.69 53.63 1jor s MET 26 Cb 0.04 -3.88 -0.00 0.00 1.25 0.00 0.00 34.83 32.23 1jor s MET 26 CO 0.17 -0.80 -0.18 -0.47 1.05 0.00 0.00 175.02 174.79 1jor s TYR 27 N 1.59 1.85 -0.67 4.11 5.04 -0.49 -2.23 117.35 126.56 1jor s TYR 27 Ca 0.03 -0.60 0.00 0.00 -2.44 0.00 0.00 57.07 54.06 1jor s TYR 27 Cb -0.20 -1.26 0.00 0.00 0.35 0.00 0.00 41.96 40.85 1jor s TYR 27 CO 0.07 -0.23 0.00 1.63 -1.34 0.00 0.00 175.55 175.68 1jor n LYS 28 N 3.31 -1.28 -0.78 4.97 5.02 -1.26 -1.56 118.16 126.58 1jor n LYS 28 Ca -0.19 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1jor n LYS 28 Cb 0.53 -4.75 0.00 0.00 -0.02 0.00 0.00 35.03 30.79 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 -0.53 0.57 3.14 0.72 0.00 -1.26 -5.04 105.19 102.78 1jor n GLY 29 Ca -0.06 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.84 0.75 -0.48 1.61 -2.07 -0.60 -5.10 119.66 112.93 1jor s GLN 30 Ca 0.00 -1.14 -0.29 0.00 -1.82 0.00 0.00 55.36 52.12 1jor s GLN 30 Cb 0.00 -0.31 0.02 0.00 -1.09 0.00 0.00 33.01 31.63 1jor s GLN 30 CO 0.00 0.02 1.27 -1.25 -1.32 0.00 0.00 175.29 174.01 1jor s PRO 31 N -2.97 3.61 -0.04 9.60 0.04 -1.26 -1.40 135.00 142.57 1jor s PRO 31 Ca 0.04 0.64 0.05 0.00 0.04 0.00 0.00 61.00 61.78 1jor s PRO 31 Cb -0.01 -3.98 -0.01 0.00 0.04 0.00 0.00 34.50 30.54 1jor s PRO 31 CO -0.02 -1.54 -0.19 -1.64 0.04 0.00 0.00 177.00 173.65 1jor s MET 32 N 4.78 1.87 0.55 4.56 -1.94 -1.04 -4.99 119.30 123.09 1jor s MET 32 Ca 0.52 -0.69 -0.18 0.00 -1.71 0.00 0.00 55.69 53.63 1jor s MET 32 Cb -0.10 -1.67 -0.06 0.00 2.01 0.00 0.00 34.83 35.02 1jor s MET 32 CO 0.31 0.33 1.06 0.99 -0.01 0.00 0.00 175.02 177.69 1jor s THR 33 N -0.15 3.75 0.04 2.05 2.01 -1.26 -2.51 115.64 119.57 1jor s THR 33 Ca -0.00 0.95 0.04 0.00 0.31 0.00 0.00 61.69 62.98 1jor s THR 33 Cb -0.11 -3.40 -0.02 0.00 0.01 0.00 0.00 72.50 68.98 1jor s THR 33 CO 0.02 -0.37 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.09 1jor s PHE 34 N -2.22 1.06 -0.17 4.92 0.40 0.07 -2.25 117.98 119.80 1jor s PHE 34 Ca 0.66 -0.36 -0.02 0.00 -0.60 0.00 0.00 56.93 56.61 1jor s PHE 34 Cb -0.17 -0.63 0.05 0.00 0.51 0.00 0.00 43.02 42.78 1jor s PHE 34 CO 0.29 0.01 0.00 0.50 0.70 0.00 0.00 175.22 176.73 1jor s ARG 35 N -1.14 0.94 -0.18 0.44 3.00 -0.67 -1.39 118.95 119.94 1jor s ARG 35 Ca -0.00 -0.43 -0.41 0.00 -1.00 0.00 0.00 55.73 53.88 1jor s ARG 35 Cb -0.08 -1.98 -0.18 0.00 0.00 0.00 0.00 34.95 32.71 1jor s ARG 35 CO 0.01 -0.54 1.44 1.28 0.00 0.00 0.00 175.30 177.48 1jor n LEU 36 N 4.98 1.26 -4.82 -0.88 4.77 -0.89 -3.85 117.00 117.57 1jor n LEU 36 Ca -0.10 1.14 -0.37 0.00 -0.03 0.00 0.00 56.01 56.65 1jor n LEU 36 Cb 0.47 -1.02 -0.06 0.00 -2.33 0.00 0.00 43.42 40.48 1jor n LEU 36 CO 0.14 -1.07 0.25 -0.22 -1.33 0.00 0.00 177.39 175.15 1jor s LEU 37 N 1.77 4.46 -1.11 2.23 0.20 -0.80 -4.01 118.68 121.42 1jor s LEU 37 Ca 0.95 1.18 0.00 0.00 0.69 0.00 0.00 54.13 56.95 1jor s LEU 37 Cb -1.21 -3.00 0.00 0.00 -0.43 0.00 0.00 46.19 41.55 1jor s LEU 37 CO 0.64 0.22 0.00 0.18 -0.29 0.00 0.00 176.35 177.10 1jor n LEU 38 N 1.42 -1.25 -3.75 -0.68 4.77 -1.26 -4.94 117.00 111.31 1jor n LEU 38 Ca -0.09 0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 1jor n LEU 38 Cb 0.51 -1.86 -0.10 0.00 -2.33 0.00 0.00 43.42 39.64 1jor n LEU 38 CO 0.41 -0.33 0.03 0.68 -1.33 0.00 0.00 177.39 176.85 1jor s VAL 39 N -2.53 0.03 0.00 4.08 -7.23 -1.26 -2.50 120.40 111.00 1jor s VAL 39 Ca 0.00 -0.23 0.03 0.00 -1.81 0.00 0.00 61.98 59.97 1jor s VAL 39 Cb 0.00 -0.57 -0.01 0.00 0.56 0.00 0.00 36.38 36.36 1jor s VAL 39 CO 0.00 -0.13 -0.09 -1.81 -0.31 0.00 0.00 175.10 172.77 1jor s ASP 40 N -0.57 1.00 0.19 4.85 1.01 -0.53 -4.59 116.67 118.04 1jor s ASP 40 Ca -0.07 -0.21 0.10 0.00 0.71 0.00 0.00 52.55 53.07 1jor s ASP 40 Cb -0.04 -0.09 -0.04 0.00 1.01 0.00 0.00 42.92 43.76 1jor s ASP 40 CO 0.02 0.06 -0.13 0.42 0.21 0.00 0.00 175.17 175.76 1jor s THR 41 N -0.37 3.00 0.06 -1.27 -4.23 -1.26 -2.26 115.64 109.31 1jor s THR 41 Ca 0.02 -1.78 -0.31 0.00 -1.18 0.00 0.00 61.69 58.44 1jor s THR 41 Cb -0.04 -2.49 -0.06 0.00 1.34 0.00 0.00 72.50 71.26 1jor s THR 41 CO -0.00 -0.14 1.18 -2.16 -0.54 0.00 0.00 174.62 172.97 1jor s PRO 42 N -2.87 4.44 1.25 3.99 0.04 -1.26 -5.04 135.00 135.56 1jor s PRO 42 Ca 0.25 1.75 -0.21 0.00 0.04 0.00 0.00 61.00 62.83 1jor s PRO 42 Cb -0.08 -3.35 0.31 0.00 0.04 0.00 0.00 34.50 31.42 1jor s PRO 42 CO 0.14 -0.23 1.10 -1.83 0.04 0.00 0.00 177.00 176.22 1jor s GLU 43 N 0.99 -1.63 -0.17 4.56 1.03 -1.26 -4.89 118.70 117.33 1jor s GLU 43 Ca 0.58 -0.16 0.15 0.00 0.03 0.00 0.00 54.97 55.57 1jor s GLU 43 Cb -0.29 -1.56 0.36 0.00 -0.80 0.00 0.00 34.13 31.84 1jor s GLU 43 CO 0.29 -3.96 1.18 0.25 -1.33 0.00 0.00 175.26 171.70 1jor n THR 44 N -4.92 1.99 -0.63 1.83 -2.24 -1.26 -4.70 114.28 104.35 1jor n THR 44 Ca 0.15 -2.72 0.00 0.00 -2.27 0.00 0.00 64.05 59.21 1jor n THR 44 Cb 0.60 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1jor n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1jor n LYS 45 N -1.21 3.56 -1.89 -0.78 4.76 -1.26 -5.05 118.16 116.30 1jor n LYS 45 Ca 0.17 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.28 1jor n LYS 45 Cb 0.68 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.90 1jor n LYS 45 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1jor s HIS 46 N 3.75 2.68 -0.31 2.13 3.76 -1.26 -4.95 115.29 121.10 1jor s HIS 46 Ca 0.00 1.54 -0.29 0.00 -0.15 0.00 0.00 55.06 56.17 1jor s HIS 46 Cb 0.00 -3.17 -0.00 0.00 1.11 0.00 0.00 32.58 30.52 1jor s HIS 46 CO 0.00 -1.58 1.43 -1.25 -0.85 0.00 0.00 174.74 172.48 1jor s PRO 47 N -3.95 3.77 -0.19 8.40 0.04 -1.26 -4.89 135.00 136.92 1jor s PRO 47 Ca 0.67 1.27 -0.14 0.00 0.04 0.00 0.00 61.00 62.85 1jor s PRO 47 Cb -0.20 -3.97 -0.08 0.00 0.04 0.00 0.00 34.50 30.29 1jor s PRO 47 CO 0.38 -1.31 -0.30 1.17 0.04 0.00 0.00 177.00 176.98 1jor n LYS 48 N 7.64 0.48 -0.55 4.56 4.81 -1.26 -4.57 118.16 129.26 1jor n LYS 48 Ca 0.16 0.20 0.10 0.00 -0.87 0.00 0.00 58.31 57.90 1jor n LYS 48 Cb 0.47 -1.32 0.35 0.00 0.02 0.00 0.00 35.03 34.55 1jor n LYS 48 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1jor n LYS 49 N -4.20 3.49 -0.70 1.64 5.02 -1.26 -4.95 118.16 117.21 1jor n LYS 49 Ca -0.28 -2.84 0.00 0.00 -2.02 0.00 0.00 58.31 53.17 1jor n LYS 49 Cb 0.63 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 1jor n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jor n GLY 50 N 1.25 0.10 3.37 0.72 0.00 -1.26 -5.06 105.19 104.31 1jor n GLY 50 Ca 0.25 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1jor n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jor s VAL 51 N -0.77 4.25 1.07 1.61 1.01 -1.26 -5.09 120.40 121.22 1jor s VAL 51 Ca 0.00 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.13 1jor s VAL 51 Cb 0.00 -3.24 0.23 0.00 0.00 0.00 0.00 36.38 33.37 1jor s VAL 51 CO 0.00 -0.01 1.20 -0.70 0.00 0.00 0.00 175.10 175.59 1jor s GLU 52 N 1.53 -0.16 -0.85 2.72 2.12 -1.26 -4.77 118.70 118.02 1jor s GLU 52 Ca 0.03 -0.15 -0.20 0.00 0.36 0.00 0.00 54.97 55.00 1jor s GLU 52 Cb -0.18 -1.73 -0.21 0.00 0.26 0.00 0.00 34.13 32.28 1jor s GLU 52 CO 0.04 -2.99 2.33 1.63 -0.54 0.00 0.00 175.26 175.74 1jor n LYS 53 N -4.23 0.37 -1.07 4.30 5.02 -1.26 -4.45 118.16 116.84 1jor n LYS 53 Ca 0.13 -0.51 0.00 0.00 -2.02 0.00 0.00 58.31 55.91 1jor n LYS 53 Cb 0.59 -2.71 -0.01 0.00 -0.02 0.00 0.00 35.03 32.88 1jor n LYS 53 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1jor n TYR 54 N 13.91 0.00 0.00 2.13 4.01 -1.26 -4.98 117.16 130.97 1jor n TYR 54 Ca 0.54 -0.35 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 1jor n TYR 54 Cb 0.33 0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 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 0.22 -1.56 3.22 2.72 0.00 -1.26 -4.15 105.19 104.37 1jor n GLY 55 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.21 2.49 0.00 1.61 -0.04 -1.26 -4.33 135.00 132.25 1jor n PRO 56 Ca 0.00 -2.65 0.00 0.00 -0.04 0.00 0.00 63.50 60.81 1jor n PRO 56 Cb 0.00 -3.36 0.00 0.00 -0.04 0.00 0.00 33.50 30.10 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 7.38 0.00 0.09 0.54 -0.58 -1.26 -4.83 120.64 121.98 1jor n GLU 57 Ca 0.49 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 57.11 1jor n GLU 57 Cb 0.43 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.25 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 0.45 -0.30 -0.58 0.62 0.00 -1.79 0.84 119.26 118.50 1jor h ALA 58 Ca 0.00 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.06 1jor h ALA 58 Cb 0.00 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1jor h ALA 58 CO 0.00 -0.71 0.49 1.03 0.00 0.00 0.00 179.25 180.05 1jor h SER 59 N -0.36 0.00 0.27 0.00 0.87 -1.88 0.34 113.55 112.80 1jor h SER 59 Ca 0.04 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.36 1jor h SER 59 Cb 0.39 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1jor h SER 59 CO -0.13 0.00 -0.97 0.00 -0.53 0.00 0.00 176.83 175.20 1jor h ALA 60 N 1.57 0.31 0.00 6.23 0.00 -1.21 -1.87 119.26 124.29 1jor h ALA 60 Ca 0.28 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1jor h ALA 60 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1jor h ALA 60 CO -0.00 0.79 0.00 0.35 0.00 0.00 0.00 179.25 180.39 1jor h PHE 61 N 0.26 0.00 0.00 0.00 3.04 0.89 -1.43 116.94 119.71 1jor h PHE 61 Ca -0.09 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.83 1jor h PHE 61 Cb 1.61 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 40.12 1jor h PHE 61 CO 0.07 0.00 -0.42 1.15 -2.02 0.00 0.00 178.31 177.09 1jor h THR 62 N 0.00 0.22 0.00 4.41 2.02 -0.97 -2.39 112.91 116.20 1jor h THR 62 Ca 0.00 -1.23 -0.02 0.00 0.77 0.00 0.00 66.41 65.93 1jor h THR 62 Cb 0.65 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1jor h THR 62 CO 0.00 0.08 -0.09 0.50 0.37 0.00 0.00 175.52 176.37 1jor h LYS 63 N -1.00 0.00 0.09 6.66 3.64 -1.42 -1.07 116.57 123.46 1jor h LYS 63 Ca -0.04 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.19 1jor h LYS 63 Cb 0.49 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1jor h LYS 63 CO -0.03 0.09 -0.70 -0.22 -2.27 0.00 0.00 179.45 176.32 1jor h LYS 64 N 0.00 0.18 0.00 1.90 3.64 -1.40 -1.93 116.57 118.96 1jor h LYS 64 Ca -0.00 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.03 1jor h LYS 64 Cb 0.23 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1jor h LYS 64 CO 0.01 1.15 -0.15 1.98 -2.27 0.00 0.00 179.45 180.17 1jor h MET 65 N -0.59 0.00 0.00 1.90 4.05 -1.17 -1.67 114.93 117.45 1jor h MET 65 Ca -0.14 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.08 1jor h MET 65 Cb 1.45 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.22 1jor h MET 65 CO 0.07 0.15 -1.45 -0.39 0.23 0.00 0.00 176.91 175.52 1jor h VAL 66 N 0.00 0.61 0.10 -5.77 -1.51 -1.28 -2.00 116.25 106.41 1jor h VAL 66 Ca -0.00 -2.19 -0.28 0.00 -1.23 0.00 0.00 66.70 63.00 1jor h VAL 66 Cb 0.42 2.15 0.02 0.00 -2.13 0.00 0.00 31.29 31.75 1jor h VAL 66 CO 0.02 0.35 -1.20 -0.33 -1.23 0.00 0.00 177.57 175.18 1jor h GLU 67 N 0.00 0.51 0.10 5.19 4.39 -0.97 -3.35 114.58 120.45 1jor h GLU 67 Ca -0.19 -0.68 -0.34 0.00 0.34 0.00 0.00 59.36 58.48 1jor h GLU 67 Cb 1.69 0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 30.54 1jor h GLU 67 CO 0.06 1.29 -1.89 -0.91 -1.16 0.00 0.00 179.01 176.40 1jor h ASN 68 N 0.22 0.33 -1.24 1.42 2.35 -1.47 -3.46 115.58 113.73 1jor h ASN 68 Ca -0.16 -0.71 -0.81 0.00 -0.55 0.00 0.00 56.30 54.07 1jor h ASN 68 Cb 1.87 -0.11 0.02 0.00 0.05 0.00 0.00 38.32 40.15 1jor h ASN 68 CO 0.22 1.63 0.69 0.00 -1.65 0.00 0.00 177.43 178.33 1jor n ALA 69 N -2.87 -1.13 0.28 -0.83 0.00 -0.75 -4.79 120.51 110.42 1jor n ALA 69 Ca -0.27 0.47 0.12 0.00 0.00 0.00 0.00 53.44 53.76 1jor n ALA 69 Cb 1.05 -2.02 0.19 0.00 0.00 0.00 0.00 19.45 18.67 1jor n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1jor h LYS 70 N 5.59 0.00 -4.47 0.00 1.79 -1.90 -3.42 116.57 114.16 1jor h LYS 70 Ca -0.46 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.41 1jor h LYS 70 Cb 1.35 0.00 -0.37 0.00 -1.58 0.00 0.00 32.23 31.63 1jor h LYS 70 CO 0.93 0.00 -0.80 0.15 -1.08 0.00 0.00 179.45 178.65 1jor s LYS 71 N -3.20 1.87 -0.28 3.15 1.02 -1.26 -5.01 119.74 116.02 1jor s LYS 71 Ca 0.07 -0.82 0.02 0.00 0.02 0.00 0.00 55.97 55.27 1jor s LYS 71 Cb 0.07 -2.38 0.07 0.00 -0.52 0.00 0.00 37.83 35.06 1jor s LYS 71 CO 0.67 -0.46 -0.06 0.42 -0.92 0.00 0.00 175.35 175.00 1jor s ILE 72 N 1.43 2.37 0.49 2.17 1.01 -1.26 -2.14 121.20 125.28 1jor s ILE 72 Ca -0.02 -1.70 0.03 0.00 0.00 0.00 0.00 60.65 58.96 1jor s ILE 72 Cb -0.16 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 1jor s ILE 72 CO -0.08 -0.14 0.08 -1.61 0.00 0.00 0.00 174.94 173.19 1jor s GLU 73 N 1.10 2.17 0.16 2.79 2.02 -0.89 -1.28 118.70 124.77 1jor s GLU 73 Ca -0.05 -2.25 0.00 0.00 0.02 0.00 0.00 54.97 52.69 1jor s GLU 73 Cb -0.20 -1.68 -0.04 0.00 0.10 0.00 0.00 34.13 32.31 1jor s GLU 73 CO -0.05 -0.34 0.04 0.14 0.02 0.00 0.00 175.26 175.08 1jor s VAL 74 N -2.81 0.37 -0.24 2.63 -7.23 -0.42 -1.63 120.40 111.07 1jor s VAL 74 Ca 0.18 -1.95 -0.03 0.00 -1.81 0.00 0.00 61.98 58.36 1jor s VAL 74 Cb 0.02 -2.16 0.10 0.00 0.56 0.00 0.00 36.38 34.90 1jor s VAL 74 CO 0.10 -0.39 0.18 -0.70 -0.31 0.00 0.00 175.10 173.98 1jor s GLU 75 N -4.00 0.19 0.23 4.82 2.12 -0.51 -2.44 118.70 119.10 1jor s GLU 75 Ca 0.26 -0.14 -0.30 0.00 0.36 0.00 0.00 54.97 55.16 1jor s GLU 75 Cb 0.07 -1.21 -0.09 0.00 0.26 0.00 0.00 34.13 33.16 1jor s GLU 75 CO 0.04 -0.84 0.94 -0.06 -0.54 0.00 0.00 175.26 174.80 1jor s PHE 76 N 2.23 3.97 0.50 5.30 0.08 -1.26 -2.19 117.98 126.61 1jor s PHE 76 Ca 0.07 1.90 -0.01 0.00 0.12 0.00 0.00 56.93 59.01 1jor s PHE 76 Cb -0.15 -2.98 0.10 0.00 -0.57 0.00 0.00 43.02 39.42 1jor s PHE 76 CO -0.23 0.44 0.68 -3.47 -0.10 0.00 0.00 175.22 172.54 1jor n ASP 77 N 1.61 0.81 -0.10 1.36 2.03 -1.26 -4.91 116.55 116.09 1jor n ASP 77 Ca -0.02 -1.71 0.13 0.00 0.52 0.00 0.00 54.79 53.72 1jor n ASP 77 Cb 0.47 -0.45 0.49 0.00 -0.72 0.00 0.00 41.12 40.91 1jor n ASP 77 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1jor n LYS 78 N -2.28 0.47 -0.70 -0.67 2.85 -1.26 -4.87 118.16 111.69 1jor n LYS 78 Ca 0.11 -0.20 -0.12 0.00 -1.05 0.00 0.00 58.31 57.05 1jor n LYS 78 Cb 0.39 -1.50 0.09 0.00 -0.65 0.00 0.00 35.03 33.36 1jor n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1jor n GLY 79 N 1.37 -1.61 3.55 2.58 0.00 -1.26 -4.90 105.19 104.92 1jor n GLY 79 Ca 0.11 -1.63 -0.52 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.36 0.78 -0.09 1.61 6.02 -1.26 -4.85 117.38 117.23 1jor n GLN 80 Ca 0.07 0.28 -0.13 0.00 -0.01 0.00 0.00 57.00 57.21 1jor n GLN 80 Cb 0.24 -1.76 -0.05 0.00 1.02 0.00 0.00 30.24 29.70 1jor n GLN 80 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1jor h ARG 81 N 3.31 0.64 -6.37 -1.09 2.43 -1.90 -3.43 114.38 107.96 1jor h ARG 81 Ca -0.44 -0.33 -0.66 0.00 -0.81 0.00 0.00 59.98 57.74 1jor h ARG 81 Cb 1.37 0.01 -0.29 0.00 -0.42 0.00 0.00 29.97 30.63 1jor h ARG 81 CO 0.69 0.93 -0.87 0.95 -1.51 0.00 0.00 179.97 180.16 1jor s THR 82 N -4.39 1.88 0.24 0.20 -4.23 -1.26 -1.84 115.64 106.23 1jor s THR 82 Ca -0.13 -1.05 -0.03 0.00 -1.18 0.00 0.00 61.69 59.31 1jor s THR 82 Cb 0.08 -1.57 0.05 0.00 1.34 0.00 0.00 72.50 72.41 1jor s THR 82 CO 0.81 0.51 0.32 -0.90 -0.54 0.00 0.00 174.62 174.82 1jor n ASP 83 N 2.42 0.14 -1.64 3.99 5.75 -0.88 -4.92 116.55 121.41 1jor n ASP 83 Ca -0.16 -1.19 -0.12 0.00 -0.01 0.00 0.00 54.79 53.31 1jor n ASP 83 Cb 0.52 -0.23 0.07 0.00 -1.03 0.00 0.00 41.12 40.45 1jor n ASP 83 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1jor n LYS 84 N -1.65 1.62 0.00 0.11 5.02 -1.26 -3.64 118.16 118.36 1jor n LYS 84 Ca 0.04 -1.41 0.00 0.00 -2.02 0.00 0.00 58.31 54.92 1jor n LYS 84 Cb 0.15 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1jor n LYS 84 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1jor n TYR 85 N -0.10 0.00 -0.55 2.13 4.01 -1.26 -4.99 117.16 116.40 1jor n TYR 85 Ca 0.28 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.02 1jor n TYR 85 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.96 1jor n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jor n GLY 86 N 0.36 0.67 3.33 2.72 0.00 -1.24 -5.06 105.19 105.98 1jor n GLY 86 Ca 0.00 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.96 1.42 0.13 1.61 3.00 -1.26 -4.66 118.95 118.23 1jor s ARG 87 Ca 0.00 -1.19 -0.28 0.00 0.00 0.00 0.00 55.73 54.26 1jor s ARG 87 Cb 0.00 -1.73 -0.07 0.00 0.00 0.00 0.00 34.95 33.15 1jor s ARG 87 CO 0.00 0.42 0.88 0.20 0.00 0.00 0.00 175.30 176.80 1jor s GLY 88 N -1.70 2.96 -0.33 -3.53 0.00 -0.95 -2.08 107.32 101.69 1jor s GLY 88 Ca 0.11 0.48 -0.16 0.00 0.00 0.00 0.00 44.72 45.14 1jor s GLY 88 CO 0.04 1.23 0.42 1.08 0.00 0.00 0.00 173.10 175.86 1jor s LEU 89 N -0.41 4.33 0.00 0.66 1.43 -0.77 -1.67 118.68 122.26 1jor s LEU 89 Ca 0.42 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.45 1jor s LEU 89 Cb -0.23 -2.44 0.01 0.00 0.03 0.00 0.00 46.19 43.55 1jor s LEU 89 CO 0.28 -0.36 0.07 0.00 0.23 0.00 0.00 176.35 176.57 1jor n ALA 90 N 5.50 -0.19 -2.48 4.21 0.00 -1.25 -4.26 120.51 122.04 1jor n ALA 90 Ca -0.07 -0.06 -0.32 0.00 0.00 0.00 0.00 53.44 52.98 1jor n ALA 90 Cb 0.49 0.03 -0.14 0.00 0.00 0.00 0.00 19.45 19.84 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 -5.18 2.63 0.13 0.00 2.02 -0.93 -1.91 117.35 114.11 1jor s TYR 91 Ca 0.02 -0.25 -0.00 0.00 -0.37 0.00 0.00 57.07 56.47 1jor s TYR 91 Cb -0.00 -1.61 -0.04 0.00 -0.40 0.00 0.00 41.96 39.90 1jor s TYR 91 CO 0.00 0.12 0.30 0.42 -1.57 0.00 0.00 175.55 174.82 1jor s ILE 92 N -0.65 5.29 -0.05 2.71 -1.09 -1.26 -1.43 121.20 124.73 1jor s ILE 92 Ca 0.10 -0.38 0.02 0.00 -2.23 0.00 0.00 60.65 58.16 1jor s ILE 92 Cb -0.11 -3.68 0.01 0.00 -1.58 0.00 0.00 42.46 37.11 1jor s ILE 92 CO 0.01 -0.00 -0.10 -0.31 -1.23 0.00 0.00 174.94 173.30 1jor s TYR 93 N -1.67 1.23 -0.12 3.97 1.51 -0.65 -0.93 117.35 120.70 1jor s TYR 93 Ca 0.37 -0.40 -0.00 0.00 -1.01 0.00 0.00 57.07 56.03 1jor s TYR 93 Cb -0.12 -0.91 0.02 0.00 -0.11 0.00 0.00 41.96 40.84 1jor s TYR 93 CO 0.28 -0.21 -0.09 0.00 -1.11 0.00 0.00 175.55 174.42 1jor s ALA 94 N 0.54 1.43 -1.72 3.71 0.00 -0.71 -2.10 121.76 122.92 1jor s ALA 94 Ca -0.11 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1jor s ALA 94 Cb -0.14 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.06 1jor s ALA 94 CO 0.02 -0.38 0.00 -0.25 0.00 0.00 0.00 175.76 175.16 1jor n ASP 95 N 4.84 -4.96 0.00 0.00 8.00 -0.91 -1.40 116.55 122.13 1jor n ASP 95 Ca -0.14 0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1jor n ASP 95 Cb 0.50 -3.90 0.00 0.00 -0.02 0.00 0.00 41.12 37.70 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 -0.98 2.94 3.62 0.44 0.00 -1.26 -5.00 105.19 104.95 1jor n GLY 96 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.52 4.09 -0.31 1.61 1.02 -0.49 -4.98 119.74 120.16 1jor s LYS 97 Ca 0.00 0.45 -0.37 0.00 0.02 0.00 0.00 55.97 56.07 1jor s LYS 97 Cb 0.00 -3.65 -0.13 0.00 -0.52 0.00 0.00 37.83 33.53 1jor s LYS 97 CO 0.00 -0.40 2.04 -0.12 -0.92 0.00 0.00 175.35 175.96 1jor n MET 98 N 5.65 1.15 -0.36 1.68 0.00 -1.26 -1.73 117.12 122.25 1jor n MET 98 Ca -0.02 0.36 0.08 0.00 -0.00 0.00 0.00 57.70 58.12 1jor n MET 98 Cb 0.49 -2.34 0.25 0.00 0.00 0.00 0.00 33.22 31.62 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 6.45 0.88 0.36 1.12 2.07 -1.35 -0.40 116.25 125.38 1jor h VAL 99 Ca -0.33 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1jor h VAL 99 Cb 1.32 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1jor h VAL 99 CO 1.00 0.17 -0.17 0.78 0.02 0.00 0.00 177.57 179.37 1jor h ASN 100 N 0.94 -0.41 -0.08 0.57 4.21 -1.87 -0.61 115.58 118.34 1jor h ASN 100 Ca 0.50 -0.10 0.02 0.00 1.21 0.00 0.00 56.30 57.94 1jor h ASN 100 Cb 0.55 0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 37.85 1jor h ASN 100 CO -0.29 -0.14 0.11 -0.08 -1.29 0.00 0.00 177.43 175.75 1jor h GLU 101 N -0.68 0.00 0.06 0.81 4.81 -1.75 0.06 114.58 117.89 1jor h GLU 101 Ca -0.05 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.93 1jor h GLU 101 Cb 0.48 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1jor h GLU 101 CO 0.08 0.00 -1.20 0.00 -0.73 0.00 0.00 179.01 177.16 1jor h ALA 102 N 1.85 0.27 0.00 2.92 0.00 -0.60 -1.40 119.26 122.30 1jor h ALA 102 Ca 0.04 -0.96 -0.09 0.00 0.00 0.00 0.00 54.91 53.90 1jor h ALA 102 Cb 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1jor h ALA 102 CO -0.00 1.15 -0.45 -0.07 0.00 0.00 0.00 179.25 179.88 1jor h LEU 103 N 0.04 0.00 0.10 0.00 3.38 0.56 -2.30 115.31 117.08 1jor h LEU 103 Ca -0.10 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.55 1jor h LEU 103 Cb 1.89 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 1jor h LEU 103 CO 0.16 0.45 -1.73 0.58 0.09 0.00 0.00 178.44 177.99 1jor h VAL 104 N 0.00 0.90 -0.55 1.22 2.07 -1.32 -2.02 116.25 116.55 1jor h VAL 104 Ca -0.00 -2.62 -0.08 0.00 0.82 0.00 0.00 66.70 64.82 1jor h VAL 104 Cb 1.05 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 33.40 1jor h VAL 104 CO 0.06 0.77 0.03 -0.09 0.02 0.00 0.00 177.57 178.36 1jor h ARG 105 N 0.05 0.96 0.00 1.57 2.43 -1.23 -1.60 114.38 116.55 1jor h ARG 105 Ca -0.31 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.57 1jor h ARG 105 Cb 2.02 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.48 1jor h ARG 105 CO 0.12 0.95 0.00 0.94 -1.51 0.00 0.00 179.97 180.47 1jor n GLN 106 N -4.28 0.03 -2.15 0.20 7.27 -0.87 -4.52 117.38 113.05 1jor n GLN 106 Ca 0.02 0.28 -0.04 0.00 0.07 0.00 0.00 57.00 57.33 1jor n GLN 106 Cb 0.31 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.46 1jor n GLN 106 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1jor n GLY 107 N -0.34 0.25 1.50 1.69 0.00 -0.60 -4.63 105.19 103.05 1jor n GLY 107 Ca 0.03 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.69 4.93 -3.96 0.99 4.77 -0.76 -3.07 117.00 119.21 1jor n LEU 108 Ca -0.04 -3.75 0.03 0.00 -0.03 0.00 0.00 56.01 52.22 1jor n LEU 108 Cb 0.53 -0.70 0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1jor n LEU 108 CO 0.07 1.22 1.13 0.00 -1.33 0.00 0.00 177.39 178.47 1jor s ALA 109 N -3.27 -2.55 0.00 -1.18 0.00 -1.22 -4.75 121.76 108.79 1jor s ALA 109 Ca 0.48 0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.61 1jor s ALA 109 Cb 0.43 0.84 -0.00 0.00 0.00 0.00 0.00 23.12 24.39 1jor s ALA 109 CO 0.03 -1.15 -0.04 0.15 0.00 0.00 0.00 175.76 174.75 1jor s LYS 110 N -2.04 0.29 0.13 0.00 1.02 -0.96 -4.86 119.74 113.32 1jor s LYS 110 Ca 0.28 -0.19 -0.35 0.00 0.02 0.00 0.00 55.97 55.74 1jor s LYS 110 Cb 0.00 -0.25 -0.16 0.00 -0.52 0.00 0.00 37.83 36.91 1jor s LYS 110 CO -0.02 0.07 1.39 0.28 -0.92 0.00 0.00 175.35 176.15 1jor n VAL 111 N 2.83 0.17 -2.15 3.17 0.31 -1.26 -1.45 118.33 119.95 1jor n VAL 111 Ca -0.14 -0.04 -0.27 0.00 -0.01 0.00 0.00 64.34 63.88 1jor n VAL 111 Cb 0.58 -1.07 0.12 0.00 -0.91 0.00 0.00 33.84 32.57 1jor n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jor s ALA 112 N 0.48 2.89 0.83 3.52 0.00 -1.04 -4.76 121.76 123.68 1jor s ALA 112 Ca 0.80 -1.15 -0.14 0.00 0.00 0.00 0.00 51.96 51.47 1jor s ALA 112 Cb -0.84 -2.58 0.02 0.00 0.00 0.00 0.00 23.12 19.71 1jor s ALA 112 CO 0.45 -1.78 0.66 0.66 0.00 0.00 0.00 175.76 175.76 1jor n TYR 113 N -3.25 -0.49 -3.76 0.00 4.01 -1.26 -4.77 117.16 107.64 1jor n TYR 113 Ca 0.12 0.32 -0.37 0.00 -0.16 0.00 0.00 57.90 57.82 1jor n TYR 113 Cb 0.60 -1.92 -0.12 0.00 -0.31 0.00 0.00 39.34 37.60 1jor n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1jor s VAL 114 N -2.15 4.61 -0.31 -0.72 1.01 -1.26 -4.73 120.40 116.86 1jor s VAL 114 Ca 0.64 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1jor s VAL 114 Cb -0.28 -3.16 0.07 0.00 0.00 0.00 0.00 36.38 33.01 1jor s VAL 114 CO 0.60 0.33 -0.00 -0.31 0.00 0.00 0.00 175.10 175.72 1jor s TYR 115 N 1.47 3.36 0.80 5.22 2.02 -1.26 -5.06 117.35 123.91 1jor s TYR 115 Ca 0.06 -2.20 -0.13 0.00 -0.37 0.00 0.00 57.07 54.43 1jor s TYR 115 Cb -0.15 -2.28 0.08 0.00 -0.40 0.00 0.00 41.96 39.21 1jor s TYR 115 CO 0.05 -0.86 1.20 0.15 -1.57 0.00 0.00 175.55 174.52 1jor s LYS 116 N 1.15 1.68 0.00 -0.62 1.02 -1.26 -1.08 119.74 120.63 1jor s LYS 116 Ca -0.03 1.74 0.09 0.00 0.02 0.00 0.00 55.97 57.79 1jor s LYS 116 Cb -0.20 -1.78 0.40 0.00 -0.52 0.00 0.00 37.83 35.73 1jor s LYS 116 CO -0.03 -2.18 1.28 -0.35 -0.92 0.00 0.00 175.35 173.15 1jor n PRO 117 N -3.27 1.31 -1.72 -1.68 -0.04 -1.26 -4.92 135.00 123.41 1jor n PRO 117 Ca 0.13 -0.47 -0.18 0.00 -0.04 0.00 0.00 63.50 62.95 1jor n PRO 117 Cb 0.51 -1.18 -0.07 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.19 4.23 -0.28 3.54 0.01 -0.24 -4.52 114.94 116.48 1jor s ASN 118 Ca 0.16 -0.27 0.18 0.00 -0.71 0.00 0.00 52.86 52.22 1jor s ASN 118 Cb 0.08 -2.56 0.45 0.00 0.41 0.00 0.00 41.25 39.63 1jor s ASN 118 CO 0.12 -3.62 1.30 0.59 -1.51 0.00 0.00 177.10 173.98 1jor n ASN 119 N 17.36 0.16 0.00 -1.22 3.02 -1.26 -4.25 115.26 129.07 1jor n ASN 119 Ca 0.45 -2.11 0.00 0.00 -0.03 0.00 0.00 54.58 52.89 1jor n ASN 119 Cb 0.44 0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 1jor n ASN 119 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1jor n THR 120 N -0.97 0.00 -0.57 3.41 -1.04 -1.26 -4.11 114.28 109.75 1jor n THR 120 Ca -0.05 0.32 -0.12 0.00 -2.04 0.00 0.00 64.05 62.15 1jor n THR 120 Cb 0.84 -0.78 0.04 0.00 -1.82 0.00 0.00 70.33 68.62 1jor n THR 120 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1jor n HIS 121 N -1.08 1.22 -0.05 -1.42 8.25 -1.26 -4.39 115.22 116.50 1jor n HIS 121 Ca 0.00 -1.58 -0.00 0.00 -0.26 0.00 0.00 57.72 55.88 1jor n HIS 121 Cb 0.00 -0.78 -0.00 0.00 1.12 0.00 0.00 29.99 30.33 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 1.12 0.00 -0.71 -0.41 4.22 -1.92 -2.63 114.58 114.24 1jor h GLU 122 Ca 0.24 0.00 0.16 0.00 0.08 0.00 0.00 59.36 59.84 1jor h GLU 122 Cb 1.13 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 1jor h GLU 122 CO 0.56 0.00 0.49 1.96 -2.18 0.00 0.00 179.01 179.84 1jor h GLN 123 N -0.97 0.25 -0.32 1.92 4.20 -1.84 0.41 115.11 118.75 1jor h GLN 123 Ca 0.00 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 1jor h GLN 123 Cb 0.01 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1jor h GLN 123 CO 0.00 0.16 -0.18 1.25 -0.67 0.00 0.00 178.83 179.40 1jor h LEU 124 N 0.26 0.71 -1.79 1.46 6.46 -1.84 -2.52 115.31 118.05 1jor h LEU 124 Ca 0.35 -0.42 -0.03 0.00 -0.12 0.00 0.00 57.88 57.66 1jor h LEU 124 Cb 1.00 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.73 1jor h LEU 124 CO -0.08 0.97 -0.15 -0.07 -0.62 0.00 0.00 178.44 178.50 1jor h LEU 125 N 0.45 0.00 -0.29 2.25 3.38 -0.56 -2.16 115.31 118.38 1jor h LEU 125 Ca 0.07 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 1jor h LEU 125 Cb 0.71 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1jor h LEU 125 CO 0.05 0.15 -0.43 -0.09 0.09 0.00 0.00 178.44 178.20 1jor h ARG 126 N 0.00 0.81 -0.44 1.13 9.65 -1.00 -1.88 114.38 122.65 1jor h ARG 126 Ca -0.00 -0.48 0.02 0.00 -1.10 0.00 0.00 59.98 58.41 1jor h ARG 126 Cb 0.29 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.88 1jor h ARG 126 CO 0.02 1.11 0.27 0.87 2.80 0.00 0.00 179.97 185.04 1jor h LYS 127 N 0.58 0.53 0.10 0.20 6.56 -0.98 0.10 116.57 123.66 1jor h LYS 127 Ca 0.03 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1jor h LYS 127 Cb 1.03 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.57 1jor h LYS 127 CO 0.10 0.35 -0.05 0.77 -2.06 0.00 0.00 179.45 178.56 1jor h SER 128 N 0.55 -0.11 0.10 0.86 0.02 -1.43 -1.00 113.55 112.54 1jor h SER 128 Ca 0.17 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1jor h SER 128 Cb -0.01 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1jor h SER 128 CO -0.07 0.01 0.00 -0.08 -1.14 0.00 0.00 176.83 175.55 1jor h GLU 129 N -0.23 0.00 0.03 3.45 4.81 -1.00 -1.61 114.58 120.03 1jor h GLU 129 Ca -0.01 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.00 1jor h GLU 129 Cb 0.19 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.59 1jor h GLU 129 CO 0.02 0.00 -0.85 0.00 -0.73 0.00 0.00 179.01 177.45 1jor h ALA 130 N 2.01 0.06 -0.29 2.92 0.00 0.54 -1.77 119.26 122.73 1jor h ALA 130 Ca 0.00 -0.65 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 1jor h ALA 130 Cb 0.05 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1jor h ALA 130 CO 0.00 0.50 -0.06 1.96 0.00 0.00 0.00 179.25 181.64 1jor h GLN 131 N 0.06 0.56 -0.56 0.00 4.20 -0.81 0.78 115.11 119.35 1jor h GLN 131 Ca -0.12 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.35 1jor h GLN 131 Cb 1.55 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.27 1jor h GLN 131 CO 0.17 0.75 0.23 0.00 -0.67 0.00 0.00 178.83 179.31 1jor h ALA 132 N 0.79 0.72 0.00 3.87 0.00 -1.53 -1.11 119.26 122.01 1jor h ALA 132 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1jor h ALA 132 Cb 0.54 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1jor h ALA 132 CO 0.03 0.33 0.00 0.87 0.00 0.00 0.00 179.25 180.47 1jor h LYS 133 N 0.76 0.00 0.00 0.00 1.57 -1.20 0.33 116.57 118.03 1jor h LYS 133 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1jor h LYS 133 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1jor h LYS 133 CO -0.02 0.00 -0.65 -0.22 -0.57 0.00 0.00 179.45 178.00 1jor h LYS 134 N 0.00 0.00 0.00 3.15 3.64 0.21 -3.32 116.57 120.24 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 0.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1jor h LYS 134 CO 0.00 0.00 -0.60 0.39 -2.27 0.00 0.00 179.45 176.97 1jor n GLU 135 N -2.67 3.04 -2.47 1.90 1.02 -0.52 -5.01 120.64 115.92 1jor n GLU 135 Ca 0.02 -0.01 -0.07 0.00 -0.02 0.00 0.00 57.16 57.08 1jor n GLU 135 Cb 0.52 -1.06 0.04 0.00 -0.02 0.00 0.00 31.44 30.92 1jor n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1jor n LYS 136 N -1.31 -1.98 -3.25 3.49 5.02 0.06 -4.92 118.16 115.26 1jor n LYS 136 Ca 0.02 0.40 -0.39 0.00 -2.02 0.00 0.00 58.31 56.31 1jor n LYS 136 Cb 0.19 -3.76 -0.07 0.00 -0.02 0.00 0.00 35.03 31.36 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 -4.06 4.12 0.00 -0.35 1.43 -0.93 -3.32 118.68 115.56 1jor s LEU 137 Ca 0.11 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 1jor s LEU 137 Cb -0.01 -2.68 0.00 0.00 0.03 0.00 0.00 46.19 43.52 1jor s LEU 137 CO 0.34 -0.21 0.00 0.59 0.23 0.00 0.00 176.35 177.30 1jor n ASN 138 N 4.99 0.00 0.24 2.29 3.02 -1.26 -1.72 115.26 122.81 1jor n ASN 138 Ca -0.05 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.59 1jor n ASN 138 Cb 0.50 0.00 0.60 0.00 -0.61 0.00 0.00 39.78 40.27 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 0.80 -0.04 2.41 5.03 -1.88 -1.51 117.51 122.32 1jor h ILE 139 Ca 0.00 -0.72 0.00 0.00 -0.12 0.00 0.00 64.86 64.02 1jor h ILE 139 Cb 0.00 1.43 0.00 0.00 -3.03 0.00 0.00 36.82 35.22 1jor h ILE 139 CO 0.00 0.18 0.00 0.79 -0.68 0.00 0.00 178.15 178.44 1jor n TRP 140 N -3.84 0.05 -3.02 1.37 5.03 -0.70 -4.20 117.44 112.12 1jor n TRP 140 Ca -0.02 -0.02 -0.38 0.00 3.03 0.00 0.00 57.50 60.11 1jor n TRP 140 Cb 0.28 0.00 -0.01 0.00 -1.03 0.00 0.00 31.31 30.55 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 -0.53 5.87 0.04 -0.99 2.88 -0.57 -4.03 113.62 116.29 1jor n SER 141 Ca 0.14 -3.50 -0.02 0.00 -1.33 0.00 0.00 58.87 54.16 1jor n SER 141 Cb 0.12 -1.06 -0.01 0.00 -0.75 0.00 0.00 64.21 62.51 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 4.73 -0.10 -5.31 -1.46 5.08 -1.81 -3.47 114.58 112.23 1jor h GLU 142 Ca 0.26 0.01 -0.67 0.00 -1.00 0.00 0.00 59.36 57.96 1jor h GLU 142 Cb 0.56 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.70 1jor h GLU 142 CO 1.16 -0.07 -0.53 0.16 -1.00 0.00 0.00 179.01 178.73 1jor s ASP 143 N -2.37 4.09 0.43 1.42 -4.77 -1.26 -5.04 116.67 109.17 1jor s ASP 143 Ca -0.02 -1.59 0.00 0.00 -3.30 0.00 0.00 52.55 47.65 1jor s ASP 143 Cb 0.00 0.33 0.00 0.00 -1.09 0.00 0.00 42.92 42.16 1jor s ASP 143 CO 0.05 -0.77 0.00 -3.20 0.70 0.00 0.00 175.17 171.94 1jor n ASN 144 N -1.21 -8.41 -3.55 2.11 4.05 -1.26 -5.07 115.26 101.91 1jor n ASN 144 Ca -0.16 1.19 0.03 0.00 0.45 0.00 0.00 54.58 56.09 1jor n ASN 144 Cb 0.67 -4.46 -0.06 0.00 1.23 0.00 0.00 39.78 37.16 1jor n ASN 144 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1jor s ALA 145 N -2.73 -2.81 0.36 5.20 0.00 -1.26 -5.01 121.76 115.50 1jor s ALA 145 Ca 0.00 1.94 0.00 0.00 0.00 0.00 0.00 51.96 53.90 1jor s ALA 145 Cb 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 21.06 1jor s ALA 145 CO 0.00 -0.46 0.00 -0.25 0.00 0.00 0.00 175.76 175.05 1jor n ASP 146 N 3.40 -9.32 -4.55 0.00 9.92 -1.26 -4.87 116.55 109.87 1jor n ASP 146 Ca -0.15 1.33 -0.39 0.00 -0.53 0.00 0.00 54.79 55.05 1jor n ASP 146 Cb 0.56 -4.98 -0.11 0.00 -0.64 0.00 0.00 41.12 35.95 1jor n ASP 146 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1jor s SER 147 N -1.81 6.04 0.00 -2.24 0.15 -1.26 -4.97 113.70 109.61 1jor s SER 147 Ca 0.00 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.39 1jor s SER 147 Cb 0.00 -2.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 1jor s SER 147 CO 0.00 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1jor n GLY 148 N 5.09 -0.53 0.00 9.45 0.00 -1.26 -5.34 105.19 112.59 1jor n GLY 148 Ca -0.13 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1jor n GLY 148 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14