#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsn s GLY 2 N 0.00 -0.29 -0.14 -5.12 0.00 -1.26 -1.28 107.32 99.23 2jsn s GLY 2 Ca 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 44.72 45.02 2jsn s GLY 2 CO 0.00 0.08 0.10 0.30 0.00 0.00 0.00 173.10 173.57 2jsn s HIS 3 N -3.16 0.11 0.00 1.90 4.02 -1.26 -4.86 115.29 112.03 2jsn s HIS 3 Ca 0.11 -0.11 0.00 0.00 1.02 0.00 0.00 55.06 56.08 2jsn s HIS 3 Cb -0.01 -0.60 0.00 0.00 -1.02 0.00 0.00 32.58 30.95 2jsn s HIS 3 CO -0.00 -0.45 0.00 1.58 1.02 0.00 0.00 174.74 176.89 2jsn n HIS 4 N 5.29 0.00 -4.03 1.40 -0.00 -1.26 -4.74 115.22 111.89 2jsn n HIS 4 Ca -0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.56 2jsn n HIS 4 Cb 0.49 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.42 2jsn n HIS 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jsn s HIS 5 N 0.00 0.51 0.30 1.57 5.04 -1.26 -5.15 115.29 116.30 2jsn s HIS 5 Ca 0.00 -0.84 -0.29 0.00 -1.54 0.00 0.00 55.06 52.39 2jsn s HIS 5 Cb 0.00 0.02 -0.13 0.00 0.04 0.00 0.00 32.58 32.51 2jsn s HIS 5 CO 0.00 -0.89 1.16 0.72 -2.34 0.00 0.00 174.74 173.39 2jsn n HIS 6 N -0.34 1.73 -2.07 3.88 8.25 -1.26 -4.35 115.22 121.06 2jsn n HIS 6 Ca -0.02 0.62 -0.35 0.00 -0.26 0.00 0.00 57.72 57.72 2jsn n HIS 6 Cb 0.63 -2.33 0.02 0.00 1.12 0.00 0.00 29.99 29.43 2jsn n HIS 6 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jsn s HIS 7 N -0.93 2.60 0.15 4.41 0.09 -0.40 -4.84 115.29 116.36 2jsn s HIS 7 Ca 0.59 1.54 -0.18 0.00 -0.00 0.00 0.00 55.06 57.01 2jsn s HIS 7 Cb -0.65 -3.29 0.04 0.00 -0.00 0.00 0.00 32.58 28.68 2jsn s HIS 7 CO 0.59 -1.72 0.47 -1.58 -0.00 0.00 0.00 174.74 172.51 2jsn s HIS 8 N -1.90 -0.26 0.58 1.40 5.65 -1.26 -4.98 115.29 114.52 2jsn s HIS 8 Ca 0.72 -0.04 -0.21 0.00 0.25 0.00 0.00 55.06 55.78 2jsn s HIS 8 Cb -0.24 0.35 -0.04 0.00 -1.18 0.00 0.00 32.58 31.48 2jsn s HIS 8 CO 0.32 -0.78 1.33 -1.17 -0.65 0.00 0.00 174.74 173.78 2jsn s LEU 9 N -2.81 3.77 0.04 8.88 2.96 -1.26 -5.06 118.68 125.21 2jsn s LEU 9 Ca 0.04 2.70 0.00 0.00 -0.22 0.00 0.00 54.13 56.65 2jsn s LEU 9 Cb 0.01 -4.39 -0.03 0.00 0.50 0.00 0.00 46.19 42.28 2jsn s LEU 9 CO -0.10 -1.68 -0.04 -0.62 -1.32 0.00 0.00 176.35 172.59 2jsn s ASP 10 N -1.12 0.52 0.75 3.68 2.15 -1.26 -5.16 116.67 116.24 2jsn s ASP 10 Ca 0.75 -0.78 -0.14 0.00 0.43 0.00 0.00 52.55 52.81 2jsn s ASP 10 Cb -0.39 0.13 0.05 0.00 -0.30 0.00 0.00 42.92 42.42 2jsn s ASP 10 CO 0.44 -0.44 1.18 -0.44 -0.17 0.00 0.00 175.17 175.75 2jsn s SER 11 N -2.28 4.10 0.97 -0.34 0.01 -1.26 -5.04 113.70 109.87 2jsn s SER 11 Ca -0.02 2.26 -0.12 0.00 1.31 0.00 0.00 55.95 59.38 2jsn s SER 11 Cb -0.01 -2.58 0.17 0.00 0.21 0.00 0.00 66.02 63.82 2jsn s SER 11 CO -0.05 -2.32 1.08 -0.72 0.41 0.00 0.00 173.24 171.64 2jsn s TYR 12 N -2.18 2.04 0.07 2.43 -0.85 -1.26 -5.08 117.35 112.53 2jsn s TYR 12 Ca 0.72 1.22 0.02 0.00 -0.52 0.00 0.00 57.07 58.50 2jsn s TYR 12 Cb -0.27 -3.19 -0.04 0.00 0.38 0.00 0.00 41.96 38.85 2jsn s TYR 12 CO 0.48 -2.81 0.15 0.00 -1.52 0.00 0.00 175.55 171.85 2jsn s ALA 13 N -2.84 3.80 0.20 9.51 0.00 -1.26 -5.07 121.76 126.10 2jsn s ALA 13 Ca 0.65 -0.93 -0.32 0.00 0.00 0.00 0.00 51.96 51.36 2jsn s ALA 13 Cb -0.20 -1.64 -0.15 0.00 0.00 0.00 0.00 23.12 21.13 2jsn s ALA 13 CO 0.58 0.77 1.18 -2.30 0.00 0.00 0.00 175.76 176.00 2jsn n PRO 14 N 0.31 1.31 -2.26 0.00 -0.02 -1.26 -4.90 135.00 128.17 2jsn n PRO 14 Ca -0.07 0.47 -0.40 0.00 -2.02 0.00 0.00 63.50 61.48 2jsn n PRO 14 Cb 0.51 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 32.00 2jsn n PRO 14 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2jsn s ARG 15 N -0.52 4.28 0.31 -0.52 1.81 0.26 -5.01 118.95 119.57 2jsn s ARG 15 Ca 0.71 1.97 -0.17 0.00 -1.72 0.00 0.00 55.73 56.51 2jsn s ARG 15 Cb -0.80 -2.93 0.03 0.00 -0.45 0.00 0.00 34.95 30.80 2jsn s ARG 15 CO 0.53 -0.16 0.70 0.00 -0.68 0.00 0.00 175.30 175.69 2jsn s ALA 16 N -1.26 -0.86 0.00 2.13 0.00 -1.26 -4.64 121.76 115.87 2jsn s ALA 16 Ca 0.51 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2jsn s ALA 16 Cb -0.34 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.61 2jsn s ALA 16 CO 0.44 -0.99 0.02 -0.85 0.00 0.00 0.00 175.76 174.38 2jsn n GLU 17 N -0.48 -0.02 -3.79 0.00 0.28 -0.33 -4.95 120.64 111.36 2jsn n GLU 17 Ca -0.05 -0.02 -0.13 0.00 -0.16 0.00 0.00 57.16 56.81 2jsn n GLU 17 Cb 0.60 -0.49 -0.09 0.00 1.43 0.00 0.00 31.44 32.88 2jsn n GLU 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jsn s ALA 18 N -0.00 -0.67 -0.19 -1.84 0.00 -0.99 -4.79 121.76 113.28 2jsn s ALA 18 Ca 0.00 0.34 -0.20 0.00 0.00 0.00 0.00 51.96 52.10 2jsn s ALA 18 Cb 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.13 2jsn s ALA 18 CO 0.00 -0.22 0.56 -1.83 0.00 0.00 0.00 175.76 174.26 2jsn s GLU 19 N -1.01 0.69 0.17 0.00 -1.05 -1.26 -0.63 118.70 115.60 2jsn s GLU 19 Ca -0.11 0.69 -0.24 0.00 -0.15 0.00 0.00 54.97 55.16 2jsn s GLU 19 Cb -0.05 0.33 0.07 0.00 -0.44 0.00 0.00 34.13 34.04 2jsn s GLU 19 CO 0.03 -0.10 1.00 0.21 0.95 0.00 0.00 175.26 177.35 2jsn s LYS 20 N 0.09 1.25 0.08 -4.83 2.20 -0.70 -5.01 119.74 112.82 2jsn s LYS 20 Ca -0.02 -0.75 -0.15 0.00 -0.36 0.00 0.00 55.97 54.69 2jsn s LYS 20 Cb -0.04 0.39 -0.06 0.00 -1.51 0.00 0.00 37.83 36.61 2jsn s LYS 20 CO 0.02 -0.58 0.50 0.99 -0.36 0.00 0.00 175.35 175.92 2jsn s THR 21 N -2.74 4.90 0.10 3.43 2.01 -1.26 -1.00 115.64 121.08 2jsn s THR 21 Ca 0.17 0.90 -0.00 0.00 0.31 0.00 0.00 61.69 63.06 2jsn s THR 21 Cb -0.02 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 2jsn s THR 21 CO 0.04 0.43 0.01 -0.36 -0.69 0.00 0.00 174.62 174.04 2jsn s PHE 22 N -1.25 0.77 0.34 4.92 0.08 0.15 -4.96 117.98 118.03 2jsn s PHE 22 Ca 0.31 -1.12 -0.10 0.00 0.12 0.00 0.00 56.93 56.13 2jsn s PHE 22 Cb -0.17 -0.47 0.02 0.00 -0.57 0.00 0.00 43.02 41.83 2jsn s PHE 22 CO 0.17 -0.40 0.61 -1.54 -0.10 0.00 0.00 175.22 173.96 2jsn s SER 23 N -3.01 0.34 0.08 1.36 1.04 -1.25 -1.54 113.70 110.72 2jsn s SER 23 Ca 0.17 -1.21 0.02 0.00 0.48 0.00 0.00 55.95 55.41 2jsn s SER 23 Cb 0.07 0.73 -0.04 0.00 0.10 0.00 0.00 66.02 66.88 2jsn s SER 23 CO -0.03 -1.43 -0.08 -0.31 0.98 0.00 0.00 173.24 172.38 2jsn s TYR 24 N -2.99 0.87 0.19 5.02 2.02 -1.26 -4.22 117.35 116.98 2jsn s TYR 24 Ca 0.22 -0.75 0.25 0.00 -0.37 0.00 0.00 57.07 56.43 2jsn s TYR 24 Cb -0.03 -0.50 1.05 0.00 -0.40 0.00 0.00 41.96 42.08 2jsn s TYR 24 CO 0.14 -0.10 1.88 -1.00 -1.57 0.00 0.00 175.55 174.91 2jsn h PRO 25 N 3.51 0.00 0.00 -1.71 0.13 -2.01 -3.50 132.00 128.41 2jsn h PRO 25 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2jsn h PRO 25 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2jsn h PRO 25 CO 0.56 0.20 0.00 -0.11 -0.23 0.00 0.00 178.00 178.41 2jsn n LEU 26 N -3.42 0.00 0.00 1.56 0.00 -1.26 -4.12 117.00 109.76 2jsn n LEU 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2jsn n LEU 26 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.81 2jsn n LEU 26 CO 0.32 0.00 0.00 -0.67 0.00 0.00 0.00 177.39 177.04 2jsn n ASP 27 N 1.13 0.00 -4.69 1.96 2.03 -1.26 -5.11 116.55 110.61 2jsn n ASP 27 Ca 0.00 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.87 2jsn n ASP 27 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 2jsn n ASP 27 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2jsn n LEU 28 N -1.35 3.56 -3.95 -2.67 7.94 -1.26 -4.26 117.00 115.01 2jsn n LEU 28 Ca 0.00 1.08 -0.09 0.00 -1.11 0.00 0.00 56.01 55.89 2jsn n LEU 28 Cb 0.00 -1.50 -0.10 0.00 0.53 0.00 0.00 43.42 42.35 2jsn n LEU 28 CO 0.00 -0.07 -0.26 -0.76 -1.11 0.00 0.00 177.39 175.19 2jsn s LEU 29 N 0.89 1.94 0.19 -1.96 1.43 -0.22 -4.94 118.68 116.01 2jsn s LEU 29 Ca 0.76 -0.51 0.11 0.00 -1.03 0.00 0.00 54.13 53.45 2jsn s LEU 29 Cb -0.59 0.44 -0.04 0.00 0.03 0.00 0.00 46.19 46.02 2jsn s LEU 29 CO 0.37 -0.44 -0.22 -0.76 0.23 0.00 0.00 176.35 175.53 2jsn s LEU 30 N -1.89 2.44 0.04 1.79 2.01 -1.26 -0.71 118.68 121.09 2jsn s LEU 30 Ca -0.09 -0.87 -0.02 0.00 0.01 0.00 0.00 54.13 53.17 2jsn s LEU 30 Cb -0.04 -1.07 -0.02 0.00 0.01 0.00 0.00 46.19 45.07 2jsn s LEU 30 CO -0.03 0.08 0.01 -1.59 1.01 0.00 0.00 176.35 175.82 2jsn s LYS 31 N -2.71 0.50 -0.09 1.70 0.00 -0.33 -4.70 119.74 114.10 2jsn s LYS 31 Ca 0.19 -0.86 -0.17 0.00 0.00 0.00 0.00 55.97 55.13 2jsn s LYS 31 Cb -0.07 0.18 -0.05 0.00 0.00 0.00 0.00 37.83 37.89 2jsn s LYS 31 CO 0.09 -0.10 0.45 -1.17 0.00 0.00 0.00 175.35 174.62 2jsn s LEU 32 N -2.16 4.32 -0.18 2.77 2.96 -1.26 -0.80 118.68 124.33 2jsn s LEU 32 Ca -0.05 0.83 -0.17 0.00 -0.22 0.00 0.00 54.13 54.52 2jsn s LEU 32 Cb -0.01 -2.64 0.05 0.00 0.50 0.00 0.00 46.19 44.08 2jsn s LEU 32 CO -0.05 0.09 0.49 -2.28 -1.32 0.00 0.00 176.35 173.28 2jsn s HIS 33 N 0.18 -0.54 -1.49 5.38 5.65 -0.12 -4.97 115.29 119.38 2jsn s HIS 33 Ca 0.25 1.32 -0.01 0.00 0.25 0.00 0.00 55.06 56.87 2jsn s HIS 33 Cb -0.15 0.19 0.01 0.00 -1.18 0.00 0.00 32.58 31.44 2jsn s HIS 33 CO 0.11 -0.26 0.24 -3.47 -0.65 0.00 0.00 174.74 170.70 2jsn n ASP 34 N 2.86 0.19 -1.82 9.88 2.03 -1.26 -1.21 116.55 127.23 2jsn n ASP 34 Ca -0.14 -1.14 -0.20 0.00 0.52 0.00 0.00 54.79 53.84 2jsn n ASP 34 Cb 0.57 -2.35 -0.06 0.00 -0.72 0.00 0.00 41.12 38.55 2jsn n ASP 34 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jsn n GLU 35 N -4.48 -1.53 -4.26 -0.67 -0.58 -1.26 -4.98 120.64 102.88 2jsn n GLU 35 Ca -0.30 1.12 -0.17 0.00 -0.42 0.00 0.00 57.16 57.39 2jsn n GLU 35 Cb 0.68 -5.58 -0.11 0.00 -0.57 0.00 0.00 31.44 25.87 2jsn n GLU 35 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2jsn s ARG 36 N -4.09 1.08 -0.18 3.49 0.52 -0.35 -3.25 118.95 116.17 2jsn s ARG 36 Ca 0.00 -1.34 -0.07 0.00 -0.52 0.00 0.00 55.73 53.80 2jsn s ARG 36 Cb 0.00 -0.88 -0.04 0.00 0.52 0.00 0.00 34.95 34.55 2jsn s ARG 36 CO 0.00 0.15 0.07 0.14 0.02 0.00 0.00 175.30 175.68 2jsn s VAL 37 N -2.53 4.87 0.16 3.52 -7.23 -0.81 -0.94 120.40 117.44 2jsn s VAL 37 Ca 0.13 -0.01 0.10 0.00 -1.81 0.00 0.00 61.98 60.39 2jsn s VAL 37 Cb -0.03 -3.19 -0.04 0.00 0.56 0.00 0.00 36.38 33.68 2jsn s VAL 37 CO 0.03 0.47 -0.22 -0.76 -0.31 0.00 0.00 175.10 174.31 2jsn s LEU 38 N 0.24 2.40 -0.38 1.32 2.01 0.02 -3.39 118.68 120.91 2jsn s LEU 38 Ca 0.05 -0.83 -0.27 0.00 0.01 0.00 0.00 54.13 53.09 2jsn s LEU 38 Cb -0.12 -1.02 -0.06 0.00 0.01 0.00 0.00 46.19 45.00 2jsn s LEU 38 CO 0.00 0.07 2.34 -0.69 1.01 0.00 0.00 176.35 179.07 2jsn s VAL 39 N -1.66 3.00 0.12 -1.59 1.01 0.41 -1.19 120.40 120.51 2jsn s VAL 39 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 62.04 2jsn s VAL 39 Cb -0.08 -3.01 -0.12 0.00 0.00 0.00 0.00 36.38 33.18 2jsn s VAL 39 CO 0.08 -0.01 1.37 0.00 0.00 0.00 0.00 175.10 176.54 2jsn h ALA 40 N 17.82 0.41 -3.16 5.51 0.00 -1.20 -1.33 119.26 137.32 2jsn h ALA 40 Ca -0.31 -0.56 -0.18 0.00 0.00 0.00 0.00 54.91 53.87 2jsn h ALA 40 Cb 1.26 -0.05 -0.27 0.00 0.00 0.00 0.00 17.79 18.73 2jsn h ALA 40 CO 1.08 0.69 -0.46 -0.06 0.00 0.00 0.00 179.25 180.50 2jsn s PHE 41 N -3.94 -0.26 0.00 0.00 0.08 -1.10 -4.86 117.98 107.90 2jsn s PHE 41 Ca -0.10 0.64 0.00 0.00 0.12 0.00 0.00 56.93 57.58 2jsn s PHE 41 Cb 0.10 0.08 0.00 0.00 -0.57 0.00 0.00 43.02 42.62 2jsn s PHE 41 CO 0.89 -0.14 0.00 0.41 -0.10 0.00 0.00 175.22 176.28 2jsn n GLY 42 N 3.19 3.24 3.29 4.36 0.00 -1.26 -1.06 105.19 116.95 2jsn n GLY 42 Ca -0.15 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 2jsn n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jsn s GLN 43 N -1.46 0.95 0.46 1.61 -1.52 -1.24 -3.22 119.66 115.24 2jsn s GLN 43 Ca 0.00 -0.63 0.00 0.00 -1.95 0.00 0.00 55.36 52.78 2jsn s GLN 43 Cb 0.00 0.42 0.00 0.00 -0.22 0.00 0.00 33.01 33.21 2jsn s GLN 43 CO 0.00 -0.34 0.00 0.54 -0.25 0.00 0.00 175.29 175.24 2jsn n ARG 44 N 0.12 -2.88 -4.31 2.91 5.12 -0.88 -4.66 116.66 112.08 2jsn n ARG 44 Ca -0.17 2.18 -0.36 0.00 -1.93 0.00 0.00 57.85 57.57 2jsn n ARG 44 Cb 0.62 -3.42 -0.05 0.00 -1.16 0.00 0.00 32.46 28.44 2jsn n ARG 44 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2jsn n ASP 45 N -4.15 -1.91 0.00 0.55 2.03 -1.26 -1.16 116.55 110.65 2jsn n ASP 45 Ca -0.04 -1.12 0.00 0.00 0.52 0.00 0.00 54.79 54.14 2jsn n ASP 45 Cb 0.61 -2.26 0.00 0.00 -0.72 0.00 0.00 41.12 38.75 2jsn n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jsn n GLY 46 N -1.52 2.98 3.71 0.27 0.00 -1.26 -4.76 105.19 104.61 2jsn n GLY 46 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2jsn n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jsn s ILE 47 N -1.71 3.56 -0.01 -0.61 -1.09 -0.31 -4.83 121.20 116.19 2jsn s ILE 47 Ca 0.00 1.11 -0.10 0.00 -2.23 0.00 0.00 60.65 59.42 2jsn s ILE 47 Cb 0.00 -3.71 0.01 0.00 -1.58 0.00 0.00 42.46 37.18 2jsn s ILE 47 CO 0.00 0.08 0.21 -0.13 -1.23 0.00 0.00 174.94 173.87 2jsn s ARG 48 N 1.19 0.55 0.41 2.79 0.52 -1.26 -2.06 118.95 121.10 2jsn s ARG 48 Ca 0.63 -0.30 -0.27 0.00 -0.52 0.00 0.00 55.73 55.27 2jsn s ARG 48 Cb -0.34 0.24 -0.10 0.00 0.52 0.00 0.00 34.95 35.26 2jsn s ARG 48 CO 0.30 -0.14 1.43 0.28 0.02 0.00 0.00 175.30 177.18 2jsn n VAL 49 N 1.42 2.37 0.00 3.52 0.31 -1.20 -2.50 118.33 122.25 2jsn n VAL 49 Ca -0.22 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.61 2jsn n VAL 49 Cb 0.56 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 2jsn n VAL 49 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jsn n GLY 50 N 0.57 2.28 3.71 2.92 0.00 -0.50 -4.98 105.19 109.18 2jsn n GLY 50 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2jsn n GLY 50 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jsn s HIS 51 N -2.72 2.09 0.03 1.61 4.02 -1.04 -4.69 115.29 114.59 2jsn s HIS 51 Ca 0.00 0.88 0.07 0.00 1.02 0.00 0.00 55.06 57.03 2jsn s HIS 51 Cb 0.00 -3.34 -0.02 0.00 -1.02 0.00 0.00 32.58 28.20 2jsn s HIS 51 CO 0.00 -2.84 -0.21 0.00 1.02 0.00 0.00 174.74 172.72 2jsn s ALA 52 N -3.08 1.74 0.33 -1.40 0.00 0.08 -0.44 121.76 118.98 2jsn s ALA 52 Ca 0.65 -1.01 -0.28 0.00 0.00 0.00 0.00 51.96 51.32 2jsn s ALA 52 Cb -0.17 -0.36 -0.10 0.00 0.00 0.00 0.00 23.12 22.49 2jsn s ALA 52 CO 0.56 0.40 1.21 0.54 0.00 0.00 0.00 175.76 178.46 2jsn s VAL 53 N -0.72 3.08 -0.03 0.00 0.11 -1.22 -1.18 120.40 120.43 2jsn s VAL 53 Ca 0.08 1.05 0.02 0.00 -2.93 0.00 0.00 61.98 60.20 2jsn s VAL 53 Cb -0.09 -3.65 -0.04 0.00 -1.53 0.00 0.00 36.38 31.08 2jsn s VAL 53 CO 0.01 0.22 -0.00 0.18 -3.33 0.00 0.00 175.10 172.18 2jsn n LEU 54 N 0.79 0.72 -3.61 2.54 7.99 0.69 -4.85 117.00 121.27 2jsn n LEU 54 Ca 0.00 -0.01 -0.11 0.00 -0.01 0.00 0.00 56.01 55.89 2jsn n LEU 54 Cb 0.44 0.03 -0.05 0.00 -0.11 0.00 0.00 43.42 43.73 2jsn n LEU 54 CO 0.56 0.20 0.20 0.00 -1.51 0.00 0.00 177.39 176.83 2jsn s ALA 55 N -2.08 -1.05 -0.05 -1.18 0.00 -0.65 -1.46 121.76 115.28 2jsn s ALA 55 Ca -0.03 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.08 2jsn s ALA 55 Cb 0.01 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.77 2jsn s ALA 55 CO 0.13 -0.61 -0.08 0.42 0.00 0.00 0.00 175.76 175.61 2jsn s ILE 56 N -3.44 0.83 -0.01 0.00 1.01 -0.09 -0.72 121.20 118.77 2jsn s ILE 56 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.36 2jsn s ILE 56 Cb 0.01 -0.79 0.00 0.00 0.01 0.00 0.00 42.46 41.69 2jsn s ILE 56 CO -0.10 0.29 0.00 -0.46 0.00 0.00 0.00 174.94 174.67 2jsn n ASN 57 N 3.89 -0.79 0.00 3.58 0.23 0.34 -0.51 115.26 122.00 2jsn n ASN 57 Ca -0.24 0.38 0.00 0.00 -0.53 0.00 0.00 54.58 54.18 2jsn n ASN 57 Cb 0.51 -0.91 0.00 0.00 -2.08 0.00 0.00 39.78 37.31 2jsn n ASN 57 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jsn n GLY 58 N -0.38 2.15 3.60 4.83 0.00 -1.26 -5.03 105.19 109.09 2jsn n GLY 58 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2jsn n GLY 58 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jsn s MET 59 N -0.93 3.61 0.34 1.61 -1.94 0.33 -5.01 119.30 117.30 2jsn s MET 59 Ca 0.00 0.68 -0.27 0.00 -1.71 0.00 0.00 55.69 54.39 2jsn s MET 59 Cb 0.00 -3.98 -0.13 0.00 2.01 0.00 0.00 34.83 32.73 2jsn s MET 59 CO 0.00 -1.53 1.05 -3.47 -0.01 0.00 0.00 175.02 171.05 2jsn n ASP 60 N 8.45 1.50 -4.46 3.03 -0.08 -1.26 -0.91 116.55 122.82 2jsn n ASP 60 Ca 0.14 1.14 -0.38 0.00 -1.51 0.00 0.00 54.79 54.17 2jsn n ASP 60 Cb 0.49 -1.34 -0.12 0.00 2.34 0.00 0.00 41.12 42.49 2jsn n ASP 60 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2jsn s VAL 61 N -1.13 4.67 -1.08 5.18 -7.23 -0.53 -0.82 120.40 119.46 2jsn s VAL 61 Ca 0.59 -0.34 -0.22 0.00 -1.81 0.00 0.00 61.98 60.20 2jsn s VAL 61 Cb -0.64 -3.35 0.02 0.00 0.56 0.00 0.00 36.38 32.97 2jsn s VAL 61 CO 0.60 0.10 1.67 0.21 -0.31 0.00 0.00 175.10 177.36 2jsn s ASN 62 N 1.63 6.16 0.00 4.85 2.47 0.74 -4.78 114.94 126.01 2jsn s ASN 62 Ca 0.05 -1.55 0.00 0.00 0.42 0.00 0.00 52.86 51.78 2jsn s ASN 62 Cb -0.17 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.06 2jsn s ASN 62 CO 0.07 -1.84 0.00 0.61 -3.72 0.00 0.00 177.10 172.22 2jsn n GLY 63 N 6.43 1.32 0.15 1.21 0.00 -1.26 -1.49 105.19 111.54 2jsn n GLY 63 Ca 0.39 0.36 0.01 0.00 0.00 0.00 0.00 46.02 46.78 2jsn n GLY 63 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jsn n ARG 64 N 0.00 0.49 -4.51 1.61 1.85 -1.20 -1.93 116.66 112.97 2jsn n ARG 64 Ca 0.00 -0.93 -0.24 0.00 -1.00 0.00 0.00 57.85 55.68 2jsn n ARG 64 Cb 0.00 -0.64 -0.14 0.00 -1.05 0.00 0.00 32.46 30.63 2jsn n ARG 64 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2jsn s TYR 65 N -0.35 1.62 1.02 2.89 2.02 -0.55 -0.80 117.35 123.19 2jsn s TYR 65 Ca 0.02 -0.37 -0.13 0.00 -0.37 0.00 0.00 57.07 56.22 2jsn s TYR 65 Cb 0.02 -0.96 0.20 0.00 -0.40 0.00 0.00 41.96 40.83 2jsn s TYR 65 CO 0.00 0.08 1.09 0.95 -1.57 0.00 0.00 175.55 176.11 2jsn s THR 66 N -0.85 1.99 0.33 -0.71 -4.23 0.19 -0.19 115.64 112.16 2jsn s THR 66 Ca 0.05 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.61 2jsn s THR 66 Cb -0.09 -2.49 0.30 0.00 1.34 0.00 0.00 72.50 71.57 2jsn s THR 66 CO 0.02 0.00 1.88 0.00 -0.54 0.00 0.00 174.62 175.98 2jsn h ALA 67 N -1.97 1.66 -0.23 3.99 0.00 -1.26 -1.88 119.26 119.58 2jsn h ALA 67 Ca -0.55 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.20 2jsn h ALA 67 Cb 1.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2jsn h ALA 67 CO 0.57 0.14 -0.51 0.22 0.00 0.00 0.00 179.25 179.67 2jsn h ASP 68 N 0.86 0.71 0.00 0.00 3.58 -1.92 -3.48 116.42 116.16 2jsn h ASP 68 Ca 0.43 -0.36 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2jsn h ASP 68 Cb 0.47 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2jsn h ASP 68 CO -0.19 1.09 0.00 0.61 -2.88 0.00 0.00 179.24 177.87 2jsn n GLY 69 N 0.21 0.74 3.76 -0.78 0.00 -0.71 -5.12 105.19 103.29 2jsn n GLY 69 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2jsn n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jsn s LYS 70 N 0.00 4.37 0.08 1.61 -0.14 -1.26 -4.62 119.74 119.78 2jsn s LYS 70 Ca 0.00 2.16 -0.31 0.00 -1.36 0.00 0.00 55.97 56.46 2jsn s LYS 70 Cb 0.00 -3.12 -0.08 0.00 -1.68 0.00 0.00 37.83 32.95 2jsn s LYS 70 CO 0.00 -0.21 1.48 -2.00 -0.76 0.00 0.00 175.35 173.85 2jsn s GLU 71 N -1.09 4.27 0.23 1.68 2.12 -1.26 -0.64 118.70 124.02 2jsn s GLU 71 Ca 0.52 2.14 -0.07 0.00 0.36 0.00 0.00 54.97 57.92 2jsn s GLU 71 Cb -0.39 -3.39 0.21 0.00 0.26 0.00 0.00 34.13 30.82 2jsn s GLU 71 CO 0.46 -0.56 1.88 0.28 -0.54 0.00 0.00 175.26 176.78 2jsn h VAL 72 N 4.51 1.25 -0.46 3.70 2.07 -1.31 0.47 116.25 126.48 2jsn h VAL 72 Ca -0.41 -0.53 -0.08 0.00 0.82 0.00 0.00 66.70 66.50 2jsn h VAL 72 Cb 1.20 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2jsn h VAL 72 CO 0.90 0.26 -0.02 -0.07 0.02 0.00 0.00 177.57 178.65 2jsn h LEU 73 N 1.24 0.73 -0.09 2.57 3.38 -1.91 -0.07 115.31 121.17 2jsn h LEU 73 Ca 0.32 -0.18 -0.23 0.00 0.09 0.00 0.00 57.88 57.88 2jsn h LEU 73 Cb -0.06 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.51 2jsn h LEU 73 CO -0.06 0.82 -0.84 -0.33 0.09 0.00 0.00 178.44 178.12 2jsn h GLU 74 N 0.71 0.72 0.06 1.13 4.39 -1.79 0.35 114.58 120.15 2jsn h GLU 74 Ca 0.14 -0.66 0.00 0.00 0.34 0.00 0.00 59.36 59.18 2jsn h GLU 74 Cb 0.47 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 2jsn h GLU 74 CO 0.02 1.26 -0.06 -0.92 -1.16 0.00 0.00 179.01 178.15 2jsn h TYR 75 N 0.41 -0.15 -0.00 4.33 3.20 -0.65 -1.23 116.97 122.88 2jsn h TYR 75 Ca -0.08 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.66 2jsn h TYR 75 Cb 1.48 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.79 2jsn h TYR 75 CO 0.10 -0.10 -0.61 -0.07 -1.64 0.00 0.00 178.16 175.84 2jsn h LEU 76 N -0.14 0.00 -0.94 2.82 3.38 -1.08 -3.16 115.31 116.19 2jsn h LEU 76 Ca 0.00 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2jsn h LEU 76 Cb 0.13 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2jsn h LEU 76 CO -0.02 0.61 0.18 1.23 0.09 0.00 0.00 178.44 180.54 2jsn h GLY 77 N 1.84 1.03 -5.78 0.83 0.00 -0.44 -3.41 103.07 97.14 2jsn h GLY 77 Ca -0.01 -0.59 -0.55 0.00 0.00 0.00 0.00 47.33 46.18 2jsn h GLY 77 CO 0.08 0.55 1.22 0.21 0.00 0.00 0.00 176.54 178.60 2jsn s ASN 78 N -6.51 6.31 0.13 0.19 3.84 -0.51 -4.89 114.94 113.49 2jsn s ASN 78 Ca -0.11 2.19 0.16 0.00 0.21 0.00 0.00 52.86 55.32 2jsn s ASN 78 Cb 0.15 -2.53 0.72 0.00 -0.55 0.00 0.00 41.25 39.04 2jsn s ASN 78 CO 0.82 -1.23 1.50 -0.81 -2.79 0.00 0.00 177.10 174.59 2jsn n PRO 79 N 7.69 0.08 0.25 0.43 -0.04 -1.26 -1.20 135.00 140.96 2jsn n PRO 79 Ca 0.21 0.39 0.17 0.00 -0.04 0.00 0.00 63.50 64.23 2jsn n PRO 79 Cb 0.43 -1.68 0.91 0.00 -0.04 0.00 0.00 33.50 33.12 2jsn n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jsn h ALA 80 N 2.29 1.00 0.00 0.55 0.00 -1.91 -1.56 119.26 119.63 2jsn h ALA 80 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jsn h ALA 80 Cb 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jsn h ALA 80 CO 0.00 0.00 -0.07 0.09 0.00 0.00 0.00 179.25 179.27 2jsn n ASN 81 N -2.69 2.21 0.47 0.00 3.02 -0.34 -4.77 115.26 113.16 2jsn n ASN 81 Ca -0.02 -3.14 -0.19 0.00 -0.03 0.00 0.00 54.58 51.20 2jsn n ASN 81 Cb 0.07 -0.43 -0.09 0.00 -0.61 0.00 0.00 39.78 38.71 2jsn n ASN 81 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 2jsn h TYR 82 N 0.10 -1.11 -2.76 3.10 -1.99 -1.31 -3.39 116.97 109.62 2jsn h TYR 82 Ca -0.00 -0.03 -0.55 0.00 2.00 0.00 0.00 58.73 60.15 2jsn h TYR 82 Cb 1.02 0.37 -0.05 0.00 2.00 0.00 0.00 36.73 40.06 2jsn h TYR 82 CO 0.08 -0.69 1.17 -1.25 -0.00 0.00 0.00 178.16 177.47 2jsn s PRO 83 N -5.77 3.26 0.06 4.88 0.04 -1.26 -3.85 135.00 132.35 2jsn s PRO 83 Ca -0.19 0.75 -0.09 0.00 0.04 0.00 0.00 61.00 61.51 2jsn s PRO 83 Cb 0.02 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.41 2jsn s PRO 83 CO 0.58 -1.97 0.20 0.14 0.04 0.00 0.00 177.00 175.98 2jsn s VAL 84 N 6.55 0.12 0.20 -0.36 -7.23 -0.59 -5.00 120.40 114.10 2jsn s VAL 84 Ca 0.61 -0.97 -0.23 0.00 -1.81 0.00 0.00 61.98 59.58 2jsn s VAL 84 Cb -0.14 -1.05 -0.08 0.00 0.56 0.00 0.00 36.38 35.67 2jsn s VAL 84 CO 0.27 -0.53 0.77 -0.44 -0.31 0.00 0.00 175.10 174.86 2jsn s SER 85 N -2.33 7.26 0.02 4.85 0.01 -1.26 -0.68 113.70 121.56 2jsn s SER 85 Ca -0.02 1.58 0.00 0.00 1.31 0.00 0.00 55.95 58.82 2jsn s SER 85 Cb 0.01 -2.48 -0.01 0.00 0.21 0.00 0.00 66.02 63.75 2jsn s SER 85 CO -0.06 0.11 -0.02 -0.63 0.41 0.00 0.00 173.24 173.05 2jsn s ILE 86 N -1.34 0.11 -0.03 1.44 1.01 -0.17 -0.50 121.20 121.70 2jsn s ILE 86 Ca 0.40 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.46 2jsn s ILE 86 Cb -0.20 -0.21 -0.01 0.00 0.01 0.00 0.00 42.46 42.04 2jsn s ILE 86 CO 0.24 -0.34 -0.24 -0.13 0.00 0.00 0.00 174.94 174.47 2jsn s ARG 87 N -1.04 2.14 0.07 2.79 0.52 0.10 -1.72 118.95 121.81 2jsn s ARG 87 Ca -0.11 -0.86 0.04 0.00 -0.52 0.00 0.00 55.73 54.28 2jsn s ARG 87 Cb -0.07 -1.96 -0.03 0.00 0.52 0.00 0.00 34.95 33.41 2jsn s ARG 87 CO -0.01 0.46 -0.11 -0.06 0.02 0.00 0.00 175.30 175.60 2jsn s PHE 88 N -0.39 0.98 0.00 -0.53 0.08 0.20 -0.22 117.98 118.09 2jsn s PHE 88 Ca 0.04 -0.54 0.00 0.00 0.12 0.00 0.00 56.93 56.55 2jsn s PHE 88 Cb -0.11 -0.55 0.00 0.00 -0.57 0.00 0.00 43.02 41.79 2jsn s PHE 88 CO 0.01 -0.01 0.00 0.41 -0.10 0.00 0.00 175.22 175.53 2jsn n GLY 89 N 1.10 2.10 3.66 4.36 0.00 -0.33 -1.19 105.19 114.90 2jsn n GLY 89 Ca -0.20 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 2jsn n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jsn s ARG 90 N -1.68 0.66 0.82 1.61 3.00 -1.26 -0.74 118.95 121.36 2jsn s ARG 90 Ca 0.00 0.92 -0.15 0.00 0.00 0.00 0.00 55.73 56.50 2jsn s ARG 90 Cb 0.00 -1.73 -0.02 0.00 0.00 0.00 0.00 34.95 33.20 2jsn s ARG 90 CO 0.00 -2.68 0.38 -2.30 0.00 0.00 0.00 175.30 170.70 2jsn n PRO 91 N -4.20 0.05 -0.13 3.54 -0.02 -1.26 -4.42 135.00 128.57 2jsn n PRO 91 Ca 0.07 0.06 0.27 0.00 -2.02 0.00 0.00 63.50 61.88 2jsn n PRO 91 Cb 0.55 -1.77 0.72 0.00 -0.02 0.00 0.00 33.50 32.98 2jsn n PRO 91 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2jsn h ARG 92 N -0.85 0.00 -0.68 -0.52 9.65 -1.95 0.00 114.38 120.03 2jsn h ARG 92 Ca -0.44 0.00 0.20 0.00 -1.10 0.00 0.00 59.98 58.63 2jsn h ARG 92 Cb 1.32 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.88 2jsn h ARG 92 CO 0.38 0.00 0.56 1.25 2.80 0.00 0.00 179.97 184.96 2jsn h LEU 93 N 0.00 0.00 -2.69 3.80 5.85 -2.03 -2.04 115.31 118.21 2jsn h LEU 93 Ca 0.39 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.07 2jsn h LEU 93 Cb 1.64 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.60 2jsn h LEU 93 CO -0.00 0.00 -0.43 0.41 -0.34 0.00 0.00 178.44 178.07 2jsn n THR 94 N -4.03 1.02 -3.07 1.05 -1.04 -0.02 -4.86 114.28 103.33 2jsn n THR 94 Ca 0.14 -1.52 -0.17 0.00 -2.04 0.00 0.00 64.05 60.46 2jsn n THR 94 Cb 0.82 0.21 -0.04 0.00 -1.82 0.00 0.00 70.33 69.50 2jsn n THR 94 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2jsn n SER 95 N -0.58 -1.57 0.00 8.00 7.64 -0.77 -4.61 113.62 121.72 2jsn n SER 95 Ca 0.10 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.24 2jsn n SER 95 Cb 0.76 0.45 0.00 0.00 -1.01 0.00 0.00 64.21 64.41 2jsn n SER 95 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83