#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsn n GLY 2 N 0.00 1.45 0.32 -5.12 0.00 -1.26 -5.00 105.19 95.57 2jsn n GLY 2 Ca 0.00 -0.11 0.20 0.00 0.00 0.00 0.00 46.02 46.12 2jsn n GLY 2 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2jsn h HIS 3 N 0.00 0.00 0.00 1.61 6.17 -1.75 0.36 115.15 121.54 2jsn h HIS 3 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2jsn h HIS 3 Cb 0.00 0.00 0.00 0.00 2.52 0.00 0.00 27.41 29.93 2jsn h HIS 3 CO 0.00 0.01 0.00 0.72 0.71 0.00 0.00 177.93 179.37 2jsn n HIS 4 N -3.17 0.46 0.00 5.26 8.25 -1.26 -3.56 115.22 121.21 2jsn n HIS 4 Ca -0.02 0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 2jsn n HIS 4 Cb 0.14 -0.85 0.00 0.00 1.12 0.00 0.00 29.99 30.39 2jsn n HIS 4 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jsn n HIS 5 N -1.96 0.00 -3.75 4.41 -0.00 -0.01 -5.13 115.22 108.78 2jsn n HIS 5 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jsn n HIS 5 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.06 2jsn n HIS 5 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2jsn n HIS 6 N -0.81 -0.02 -0.66 1.57 -0.00 -0.43 -5.16 115.22 109.70 2jsn n HIS 6 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.40 2jsn n HIS 6 Cb 0.07 0.00 0.18 0.00 -0.00 0.00 0.00 29.99 30.24 2jsn n HIS 6 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2jsn n HIS 7 N 0.00 -1.21 -0.33 -1.40 -0.00 -1.26 -4.32 115.22 106.70 2jsn n HIS 7 Ca 0.00 0.12 0.14 0.00 -0.00 0.00 0.00 57.72 57.98 2jsn n HIS 7 Cb 0.00 -1.69 0.32 0.00 -0.00 0.00 0.00 29.99 28.63 2jsn n HIS 7 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2jsn h HIS 8 N -2.05 0.91 -3.73 -1.40 -0.00 -1.95 -3.37 115.15 103.56 2jsn h HIS 8 Ca -0.52 0.04 -0.12 0.00 -0.00 0.00 0.00 60.37 59.77 2jsn h HIS 8 Cb 1.33 -0.26 -0.18 0.00 -0.00 0.00 0.00 27.41 28.30 2jsn h HIS 8 CO 0.27 0.11 -0.49 -0.51 -0.00 0.00 0.00 177.93 177.31 2jsn s LEU 9 N -10.37 1.68 0.00 2.43 1.43 -1.26 -4.58 118.68 108.01 2jsn s LEU 9 Ca -0.11 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 2jsn s LEU 9 Cb 0.25 0.70 0.00 0.00 0.03 0.00 0.00 46.19 47.18 2jsn s LEU 9 CO 0.79 -0.52 0.00 -0.67 0.23 0.00 0.00 176.35 176.18 2jsn n ASP 10 N 0.76 0.00 -4.66 2.29 2.03 -1.26 -4.96 116.55 110.75 2jsn n ASP 10 Ca -0.19 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.82 2jsn n ASP 10 Cb 0.59 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 41.15 2jsn n ASP 10 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2jsn s SER 11 N -0.18 2.88 0.42 1.67 0.01 -1.26 -4.15 113.70 113.09 2jsn s SER 11 Ca 0.00 1.72 0.29 0.00 1.31 0.00 0.00 55.95 59.28 2jsn s SER 11 Cb 0.00 -2.35 1.38 0.00 0.21 0.00 0.00 66.02 65.27 2jsn s SER 11 CO 0.00 -3.05 1.89 0.10 0.41 0.00 0.00 173.24 172.59 2jsn h TYR 12 N -1.83 0.00 -3.94 2.43 -0.00 -2.01 -3.42 116.97 108.20 2jsn h TYR 12 Ca -0.50 0.00 -0.56 0.00 0.00 0.00 0.00 58.73 57.68 2jsn h TYR 12 Cb 1.28 0.00 0.14 0.00 0.00 0.00 0.00 36.73 38.16 2jsn h TYR 12 CO 0.43 0.00 0.54 0.00 -0.00 0.00 0.00 178.16 179.13 2jsn n ALA 13 N -1.91 1.39 -1.59 0.10 0.00 -1.26 -4.94 120.51 112.30 2jsn n ALA 13 Ca -0.00 0.12 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 2jsn n ALA 13 Cb 0.17 -2.32 0.01 0.00 0.00 0.00 0.00 19.45 17.31 2jsn n ALA 13 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2jsn n PRO 14 N -0.98 1.26 0.06 0.00 -0.02 -1.26 -4.93 135.00 129.13 2jsn n PRO 14 Ca 0.11 0.45 0.13 0.00 -2.02 0.00 0.00 63.50 62.17 2jsn n PRO 14 Cb 0.45 -1.94 0.36 0.00 -0.02 0.00 0.00 33.50 32.35 2jsn n PRO 14 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jsn n ARG 15 N 0.32 0.19 -0.93 -0.52 1.74 -1.26 -4.89 116.66 111.30 2jsn n ARG 15 Ca 0.10 0.11 -0.31 0.00 -0.77 0.00 0.00 57.85 56.98 2jsn n ARG 15 Cb 0.38 -1.68 0.14 0.00 -1.02 0.00 0.00 32.46 30.28 2jsn n ARG 15 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jsn s ALA 16 N -3.09 1.77 0.26 7.54 0.00 -1.26 -1.16 121.76 125.82 2jsn s ALA 16 Ca 0.10 0.51 0.04 0.00 0.00 0.00 0.00 51.96 52.62 2jsn s ALA 16 Cb 0.14 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 2jsn s ALA 16 CO 0.63 -2.38 -0.00 -1.21 0.00 0.00 0.00 175.76 172.80 2jsn s GLU 17 N -4.67 1.45 0.62 0.00 2.02 0.06 -4.88 118.70 113.30 2jsn s GLU 17 Ca 0.66 -1.75 -0.19 0.00 0.02 0.00 0.00 54.97 53.71 2jsn s GLU 17 Cb -0.21 -0.78 -0.02 0.00 0.10 0.00 0.00 34.13 33.21 2jsn s GLU 17 CO 0.56 -0.08 1.29 0.00 0.02 0.00 0.00 175.26 177.05 2jsn n ALA 18 N -0.51 1.20 -1.47 5.21 0.00 -1.26 -4.29 120.51 119.39 2jsn n ALA 18 Ca -0.05 0.03 -0.35 0.00 0.00 0.00 0.00 53.44 53.08 2jsn n ALA 18 Cb 0.64 -2.32 0.08 0.00 0.00 0.00 0.00 19.45 17.85 2jsn n ALA 18 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jsn s GLU 19 N -3.23 2.35 -0.07 0.00 8.01 -1.26 -4.56 118.70 119.94 2jsn s GLU 19 Ca 0.80 1.79 -0.10 0.00 0.01 0.00 0.00 54.97 57.47 2jsn s GLU 19 Cb -0.39 -1.86 0.02 0.00 -4.31 0.00 0.00 34.13 27.59 2jsn s GLU 19 CO 0.43 -1.68 0.25 0.21 0.01 0.00 0.00 175.26 174.48 2jsn s LYS 20 N -3.77 0.39 0.27 1.61 2.47 -0.62 -4.97 119.74 115.13 2jsn s LYS 20 Ca 0.75 0.15 -0.29 0.00 -1.56 0.00 0.00 55.97 55.03 2jsn s LYS 20 Cb -0.30 0.18 -0.09 0.00 -1.46 0.00 0.00 37.83 36.16 2jsn s LYS 20 CO 0.42 -0.07 0.95 0.99 0.16 0.00 0.00 175.35 177.80 2jsn s THR 21 N -0.35 4.10 0.09 3.43 2.01 -1.26 -0.82 115.64 122.84 2jsn s THR 21 Ca -0.05 1.99 0.00 0.00 0.31 0.00 0.00 61.69 63.94 2jsn s THR 21 Cb -0.03 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 2jsn s THR 21 CO 0.01 0.38 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.93 2jsn s PHE 22 N -1.33 0.75 0.33 4.92 0.08 0.08 -4.95 117.98 117.87 2jsn s PHE 22 Ca 0.44 -1.05 -0.14 0.00 0.12 0.00 0.00 56.93 56.30 2jsn s PHE 22 Cb -0.24 -0.47 0.03 0.00 -0.57 0.00 0.00 43.02 41.77 2jsn s PHE 22 CO 0.29 -0.32 0.67 -1.54 -0.10 0.00 0.00 175.22 174.23 2jsn s SER 23 N -3.00 0.09 0.07 1.36 1.04 -1.26 -1.51 113.70 110.49 2jsn s SER 23 Ca 0.13 -1.05 -0.01 0.00 0.48 0.00 0.00 55.95 55.50 2jsn s SER 23 Cb 0.07 0.75 -0.04 0.00 0.10 0.00 0.00 66.02 66.90 2jsn s SER 23 CO -0.05 -1.46 -0.01 -0.31 0.98 0.00 0.00 173.24 172.39 2jsn s TYR 24 N -3.08 0.63 0.50 5.02 2.02 -1.26 -4.39 117.35 116.79 2jsn s TYR 24 Ca 0.18 -1.11 -0.23 0.00 -0.37 0.00 0.00 57.07 55.54 2jsn s TYR 24 Cb -0.04 -0.42 -0.06 0.00 -0.40 0.00 0.00 41.96 41.04 2jsn s TYR 24 CO 0.12 -0.41 1.29 -1.25 -1.57 0.00 0.00 175.55 173.73 2jsn s PRO 25 N -3.95 3.45 0.18 -1.71 0.04 -1.26 -5.02 135.00 126.73 2jsn s PRO 25 Ca 0.12 2.09 -0.22 0.00 0.04 0.00 0.00 61.00 63.02 2jsn s PRO 25 Cb 0.08 -2.37 0.06 0.00 0.04 0.00 0.00 34.50 32.30 2jsn s PRO 25 CO -0.07 -0.90 0.62 -1.17 0.04 0.00 0.00 177.00 175.52 2jsn s LEU 26 N -3.22 -0.47 0.51 -3.56 2.96 -1.26 -5.05 118.68 108.59 2jsn s LEU 26 Ca 0.67 -0.14 0.19 0.00 -0.22 0.00 0.00 54.13 54.63 2jsn s LEU 26 Cb -0.37 2.60 1.30 0.00 0.50 0.00 0.00 46.19 50.22 2jsn s LEU 26 CO 0.44 -1.04 2.11 -0.78 -1.32 0.00 0.00 176.35 175.76 2jsn h ASP 27 N 2.01 0.00 -2.35 3.68 3.58 -1.94 -3.43 116.42 117.98 2jsn h ASP 27 Ca -0.31 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.58 2jsn h ASP 27 Cb 1.30 0.00 0.04 0.00 1.72 0.00 0.00 39.33 42.39 2jsn h ASP 27 CO 0.35 0.07 1.01 -0.11 -2.88 0.00 0.00 179.24 177.68 2jsn n LEU 28 N -4.27 3.65 -3.81 2.28 7.94 -1.26 -4.35 117.00 117.18 2jsn n LEU 28 Ca -0.03 1.02 -0.12 0.00 -1.11 0.00 0.00 56.01 55.77 2jsn n LEU 28 Cb 0.15 -1.48 -0.09 0.00 0.53 0.00 0.00 43.42 42.53 2jsn n LEU 28 CO 0.33 -0.00 -0.06 -0.22 -1.11 0.00 0.00 177.39 176.32 2jsn s LEU 29 N 2.34 1.19 0.21 -1.96 2.96 -0.56 -4.97 118.68 117.88 2jsn s LEU 29 Ca 0.83 -0.14 0.11 0.00 -0.22 0.00 0.00 54.13 54.71 2jsn s LEU 29 Cb -0.58 1.02 -0.05 0.00 0.50 0.00 0.00 46.19 47.09 2jsn s LEU 29 CO 0.40 -0.47 -0.21 -0.76 -1.32 0.00 0.00 176.35 173.99 2jsn s LEU 30 N -1.60 2.48 0.06 -0.68 1.43 -1.26 -0.47 118.68 118.64 2jsn s LEU 30 Ca -0.11 -0.91 0.03 0.00 -1.03 0.00 0.00 54.13 52.11 2jsn s LEU 30 Cb -0.05 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 45.08 2jsn s LEU 30 CO 0.01 0.06 -0.09 -1.59 0.23 0.00 0.00 176.35 174.96 2jsn s LYS 31 N -2.94 0.66 -0.11 1.70 0.00 -0.26 -4.72 119.74 114.07 2jsn s LYS 31 Ca 0.22 -0.90 -0.30 0.00 0.00 0.00 0.00 55.97 54.99 2jsn s LYS 31 Cb -0.06 -0.42 -0.02 0.00 0.00 0.00 0.00 37.83 37.33 2jsn s LYS 31 CO 0.10 0.07 1.09 -1.17 0.00 0.00 0.00 175.35 175.45 2jsn s LEU 32 N -1.86 4.24 -0.14 2.77 0.20 -1.26 -1.00 118.68 121.62 2jsn s LEU 32 Ca -0.04 1.62 -0.17 0.00 0.69 0.00 0.00 54.13 56.23 2jsn s LEU 32 Cb -0.08 -3.55 0.04 0.00 -0.43 0.00 0.00 46.19 42.17 2jsn s LEU 32 CO 0.00 -0.54 0.45 -2.28 -0.29 0.00 0.00 176.35 173.70 2jsn s HIS 33 N 2.30 -0.46 -1.57 5.38 2.46 -0.08 -4.94 115.29 118.38 2jsn s HIS 33 Ca 0.51 1.07 -0.11 0.00 0.47 0.00 0.00 55.06 57.00 2jsn s HIS 33 Cb -0.20 0.18 0.09 0.00 -0.13 0.00 0.00 32.58 32.52 2jsn s HIS 33 CO 0.18 -0.30 0.65 -3.47 -2.47 0.00 0.00 174.74 169.33 2jsn n ASP 34 N 2.42 -2.20 0.00 9.88 2.03 -1.26 -1.01 116.55 126.41 2jsn n ASP 34 Ca -0.15 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.16 2jsn n ASP 34 Cb 0.57 -2.93 0.00 0.00 -0.72 0.00 0.00 41.12 38.03 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 -4.42 -1.37 -3.58 -0.67 1.02 -1.26 -4.95 120.64 105.41 2jsn n GLU 35 Ca -0.08 0.33 -0.23 0.00 -0.02 0.00 0.00 57.16 57.15 2jsn n GLU 35 Cb 0.57 -4.75 0.00 0.00 -0.02 0.00 0.00 31.44 27.24 2jsn n GLU 35 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2jsn n ARG 36 N 0.07 0.76 -5.04 3.49 3.00 -0.18 -4.09 116.66 114.66 2jsn n ARG 36 Ca 0.00 -3.09 -0.30 0.00 -0.00 0.00 0.00 57.85 54.46 2jsn n ARG 36 Cb 0.33 0.32 -0.17 0.00 0.00 0.00 0.00 32.46 32.94 2jsn n ARG 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2jsn s VAL 37 N -2.45 1.79 0.14 5.15 -7.23 -1.18 -0.90 120.40 115.72 2jsn s VAL 37 Ca 0.29 -0.87 0.07 0.00 -1.81 0.00 0.00 61.98 59.66 2jsn s VAL 37 Cb -0.02 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 2jsn s VAL 37 CO 0.18 0.50 -0.15 -0.76 -0.31 0.00 0.00 175.10 174.56 2jsn s LEU 38 N 0.40 2.42 -0.21 1.32 1.43 -0.17 -2.97 118.68 120.89 2jsn s LEU 38 Ca -0.17 -0.83 -0.29 0.00 -1.03 0.00 0.00 54.13 51.81 2jsn s LEU 38 Cb -0.17 -0.64 -0.06 0.00 0.03 0.00 0.00 46.19 45.34 2jsn s LEU 38 CO 0.07 -0.11 2.20 0.52 0.23 0.00 0.00 176.35 179.26 2jsn n VAL 39 N 0.45 0.36 0.08 -1.59 0.31 0.13 -1.10 118.33 116.97 2jsn n VAL 39 Ca -0.15 -0.41 -0.18 0.00 -0.01 0.00 0.00 64.34 63.60 2jsn n VAL 39 Cb 0.57 -2.42 -0.14 0.00 -0.91 0.00 0.00 33.84 30.93 2jsn n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jsn h ALA 40 N 14.29 0.17 -3.21 3.52 0.00 -1.06 -0.72 119.26 132.25 2jsn h ALA 40 Ca -0.40 -1.04 -0.20 0.00 0.00 0.00 0.00 54.91 53.27 2jsn h ALA 40 Cb 1.25 0.23 -0.28 0.00 0.00 0.00 0.00 17.79 18.99 2jsn h ALA 40 CO 0.97 1.04 -0.52 -0.06 0.00 0.00 0.00 179.25 180.68 2jsn s PHE 41 N -2.62 -0.23 0.00 0.00 0.08 -0.95 -4.92 117.98 109.35 2jsn s PHE 41 Ca -0.09 0.57 0.00 0.00 0.12 0.00 0.00 56.93 57.53 2jsn s PHE 41 Cb 0.06 0.03 0.00 0.00 -0.57 0.00 0.00 43.02 42.54 2jsn s PHE 41 CO 0.87 -0.15 0.00 0.41 -0.10 0.00 0.00 175.22 176.25 2jsn n GLY 42 N 3.59 3.36 3.84 4.36 0.00 -1.26 -1.50 105.19 117.57 2jsn n GLY 42 Ca -0.19 -0.18 -0.07 0.00 0.00 0.00 0.00 46.02 45.58 2jsn n GLY 42 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jsn s GLN 43 N -1.62 1.88 0.00 1.61 1.03 -1.25 -2.09 119.66 119.22 2jsn s GLN 43 Ca 0.00 -1.10 0.00 0.00 0.04 0.00 0.00 55.36 54.30 2jsn s GLN 43 Cb 0.00 0.60 0.00 0.00 0.03 0.00 0.00 33.01 33.64 2jsn s GLN 43 CO 0.00 -0.87 0.00 -2.13 -2.54 0.00 0.00 175.29 169.75 2jsn n ARG 44 N -0.49 0.00 -0.16 9.60 3.00 -1.24 -4.61 116.66 122.76 2jsn n ARG 44 Ca -0.05 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.81 2jsn n ARG 44 Cb 0.59 -1.15 0.28 0.00 0.00 0.00 0.00 32.46 32.19 2jsn n ARG 44 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2jsn h ASP 45 N 0.00 0.76 0.00 6.15 3.58 -2.04 -3.46 116.42 121.41 2jsn h ASP 45 Ca 0.00 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2jsn h ASP 45 Cb 0.00 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.86 2jsn h ASP 45 CO 0.00 0.57 0.00 0.61 -2.88 0.00 0.00 179.24 177.54 2jsn n GLY 46 N -1.39 2.03 3.69 -0.78 0.00 -1.26 -5.13 105.19 102.35 2jsn n GLY 46 Ca 0.07 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 2jsn n GLY 46 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jsn s ILE 47 N 0.00 2.55 0.11 -0.61 -4.36 -1.26 -5.06 121.20 112.56 2jsn s ILE 47 Ca 0.00 0.18 -0.03 0.00 -0.26 0.00 0.00 60.65 60.54 2jsn s ILE 47 Cb 0.00 -2.44 -0.03 0.00 1.25 0.00 0.00 42.46 41.24 2jsn s ILE 47 CO 0.00 -0.23 0.08 -0.13 0.24 0.00 0.00 174.94 174.89 2jsn s ARG 48 N -4.76 0.85 0.40 0.37 0.52 -1.26 -3.69 118.95 111.39 2jsn s ARG 48 Ca 0.65 -1.28 -0.25 0.00 -0.52 0.00 0.00 55.73 54.33 2jsn s ARG 48 Cb -0.20 0.26 -0.11 0.00 0.52 0.00 0.00 34.95 35.41 2jsn s ARG 48 CO 0.58 -0.24 0.95 1.33 0.02 0.00 0.00 175.30 177.94 2jsn n VAL 49 N -0.05 2.28 -0.03 3.52 0.24 -0.89 -2.11 118.33 121.31 2jsn n VAL 49 Ca -0.09 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 2jsn n VAL 49 Cb 0.63 -1.05 0.00 0.00 -1.47 0.00 0.00 33.84 31.95 2jsn n VAL 49 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jsn n GLY 50 N 1.27 2.19 3.76 7.63 0.00 -0.28 -4.94 105.19 114.82 2jsn n GLY 50 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.78 2.51 0.02 1.61 3.76 -0.89 -4.61 115.29 114.91 2jsn s HIS 51 Ca 0.00 1.56 0.01 0.00 -0.15 0.00 0.00 55.06 56.49 2jsn s HIS 51 Cb 0.00 -3.21 -0.04 0.00 1.11 0.00 0.00 32.58 30.44 2jsn s HIS 51 CO 0.00 -1.86 0.04 0.00 -0.85 0.00 0.00 174.74 172.08 2jsn s ALA 52 N -2.32 3.45 0.20 -1.40 0.00 -0.19 -0.69 121.76 120.81 2jsn s ALA 52 Ca 0.68 -0.95 -0.29 0.00 0.00 0.00 0.00 51.96 51.40 2jsn s ALA 52 Cb -0.22 -1.43 -0.08 0.00 0.00 0.00 0.00 23.12 21.39 2jsn s ALA 52 CO 0.43 0.69 0.90 0.54 0.00 0.00 0.00 175.76 178.32 2jsn s VAL 53 N -1.20 4.22 -0.05 0.00 0.11 -1.16 -0.90 120.40 121.41 2jsn s VAL 53 Ca 0.23 1.98 0.01 0.00 -2.93 0.00 0.00 61.98 61.28 2jsn s VAL 53 Cb -0.12 -4.28 -0.04 0.00 -1.53 0.00 0.00 36.38 30.41 2jsn s VAL 53 CO 0.15 0.48 -0.03 0.18 -3.33 0.00 0.00 175.10 172.54 2jsn n LEU 54 N 1.73 2.23 -3.74 2.54 7.99 0.45 -4.86 117.00 123.33 2jsn n LEU 54 Ca -0.02 -0.02 -0.10 0.00 -0.01 0.00 0.00 56.01 55.86 2jsn n LEU 54 Cb 0.48 -0.12 -0.06 0.00 -0.11 0.00 0.00 43.42 43.61 2jsn n LEU 54 CO 0.49 0.47 0.05 0.00 -1.51 0.00 0.00 177.39 176.89 2jsn s ALA 55 N -2.11 -0.61 -0.03 -1.18 0.00 -0.62 -1.20 121.76 116.01 2jsn s ALA 55 Ca -0.06 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.59 2jsn s ALA 55 Cb 0.02 0.61 0.02 0.00 0.00 0.00 0.00 23.12 23.77 2jsn s ALA 55 CO 0.14 -0.59 -0.02 0.42 0.00 0.00 0.00 175.76 175.71 2jsn s ILE 56 N -3.83 0.28 -0.73 0.00 1.01 -0.17 -0.72 121.20 117.04 2jsn s ILE 56 Ca 0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.59 2jsn s ILE 56 Cb 0.03 -0.34 0.09 0.00 0.01 0.00 0.00 42.46 42.25 2jsn s ILE 56 CO -0.11 0.15 0.23 -0.46 0.00 0.00 0.00 174.94 174.75 2jsn n ASN 57 N 3.93 -1.16 0.00 3.58 2.04 0.43 -0.57 115.26 123.51 2jsn n ASN 57 Ca -0.25 -0.25 0.00 0.00 -0.44 0.00 0.00 54.58 53.64 2jsn n ASN 57 Cb 0.52 -1.07 0.00 0.00 -2.53 0.00 0.00 39.78 36.69 2jsn n ASN 57 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2jsn n GLY 58 N -0.67 2.04 3.57 4.83 0.00 -1.26 -5.00 105.19 108.70 2jsn n GLY 58 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.96 3.55 0.25 1.61 -1.94 0.26 -5.02 119.30 117.05 2jsn s MET 59 Ca 0.00 0.23 -0.31 0.00 -1.71 0.00 0.00 55.69 53.90 2jsn s MET 59 Cb 0.00 -3.95 -0.12 0.00 2.01 0.00 0.00 34.83 32.76 2jsn s MET 59 CO 0.00 -1.39 1.58 -3.47 -0.01 0.00 0.00 175.02 171.73 2jsn n ASP 60 N 7.63 3.54 -4.67 3.03 -0.08 -1.26 -1.00 116.55 123.74 2jsn n ASP 60 Ca 0.08 1.12 -0.37 0.00 -1.51 0.00 0.00 54.79 54.10 2jsn n ASP 60 Cb 0.49 -1.53 -0.09 0.00 2.34 0.00 0.00 41.12 42.33 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 0.36 5.30 -0.65 5.18 -7.23 -0.34 -2.29 120.40 120.73 2jsn s VAL 61 Ca 0.69 0.37 -0.22 0.00 -1.81 0.00 0.00 61.98 61.01 2jsn s VAL 61 Cb -0.56 -3.58 0.07 0.00 0.56 0.00 0.00 36.38 32.88 2jsn s VAL 61 CO 0.44 0.31 0.93 0.21 -0.31 0.00 0.00 175.10 176.69 2jsn s ASN 62 N 1.03 6.17 0.00 4.85 2.47 0.71 -4.79 114.94 125.39 2jsn s ASN 62 Ca 0.12 -1.04 0.00 0.00 0.42 0.00 0.00 52.86 52.36 2jsn s ASN 62 Cb -0.14 -2.41 0.00 0.00 -1.45 0.00 0.00 41.25 37.26 2jsn s ASN 62 CO 0.06 -1.40 0.00 0.61 -3.72 0.00 0.00 177.10 172.64 2jsn n GLY 63 N 5.32 1.24 0.78 1.21 0.00 -1.26 -1.30 105.19 111.17 2jsn n GLY 63 Ca -0.04 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 0.00 -4.46 1.61 0.00 -1.26 -3.08 116.66 109.47 2jsn n ARG 64 Ca 0.00 -1.05 -0.24 0.00 -0.00 0.00 0.00 57.85 56.56 2jsn n ARG 64 Cb 0.00 -0.21 -0.13 0.00 -0.00 0.00 0.00 32.46 32.12 2jsn n ARG 64 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2jsn s TYR 65 N 0.00 1.65 1.13 2.89 2.02 -0.42 -0.67 117.35 123.95 2jsn s TYR 65 Ca 0.08 -0.39 -0.16 0.00 -0.37 0.00 0.00 57.07 56.24 2jsn s TYR 65 Cb 0.09 -0.96 0.25 0.00 -0.40 0.00 0.00 41.96 40.95 2jsn s TYR 65 CO -0.04 0.11 1.08 0.95 -1.57 0.00 0.00 175.55 176.08 2jsn s THR 66 N -0.93 1.79 0.31 -0.71 -4.23 0.22 -0.21 115.64 111.88 2jsn s THR 66 Ca 0.05 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.58 2jsn s THR 66 Cb -0.09 -2.43 0.28 0.00 1.34 0.00 0.00 72.50 71.61 2jsn s THR 66 CO 0.02 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 176.01 2jsn h ALA 67 N -2.35 1.54 -0.35 3.99 0.00 -1.72 -2.22 119.26 118.15 2jsn h ALA 67 Ca -0.51 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.22 2jsn h ALA 67 Cb 1.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2jsn h ALA 67 CO 0.46 0.31 -0.42 0.22 0.00 0.00 0.00 179.25 179.83 2jsn h ASP 68 N 0.99 0.96 0.00 0.00 3.58 -1.92 -3.48 116.42 116.55 2jsn h ASP 68 Ca 0.39 -0.45 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2jsn h ASP 68 Cb 0.24 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.02 2jsn h ASP 68 CO -0.15 1.24 0.00 0.61 -2.88 0.00 0.00 179.24 178.06 2jsn n GLY 69 N 0.16 0.29 3.74 -0.78 0.00 -0.83 -5.12 105.19 102.65 2jsn n GLY 69 Ca -0.03 0.00 -0.42 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 4.16 0.10 1.61 -0.14 -1.26 -4.49 119.74 119.71 2jsn s LYS 70 Ca 0.00 2.50 -0.31 0.00 -1.36 0.00 0.00 55.97 56.80 2jsn s LYS 70 Cb 0.00 -3.06 -0.09 0.00 -1.68 0.00 0.00 37.83 33.00 2jsn s LYS 70 CO 0.00 -0.59 1.66 -2.00 -0.76 0.00 0.00 175.35 173.66 2jsn s GLU 71 N -0.21 4.19 0.31 1.68 2.12 -1.26 -0.61 118.70 124.92 2jsn s GLU 71 Ca 0.64 2.37 0.02 0.00 0.36 0.00 0.00 54.97 58.36 2jsn s GLU 71 Cb -0.46 -3.50 0.59 0.00 0.26 0.00 0.00 34.13 31.02 2jsn s GLU 71 CO 0.44 -0.72 1.90 0.28 -0.54 0.00 0.00 175.26 176.62 2jsn h VAL 72 N 4.63 1.01 -0.67 3.70 2.07 -1.23 0.86 116.25 126.62 2jsn h VAL 72 Ca -0.43 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 2jsn h VAL 72 Cb 1.20 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2jsn h VAL 72 CO 0.93 0.17 0.11 -0.07 0.02 0.00 0.00 177.57 178.74 2jsn h LEU 73 N 0.95 1.06 -0.17 2.57 3.38 -1.90 -0.31 115.31 120.88 2jsn h LEU 73 Ca 0.40 -0.26 -0.23 0.00 0.09 0.00 0.00 57.88 57.89 2jsn h LEU 73 Cb 0.31 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.78 2jsn h LEU 73 CO -0.16 1.05 -0.86 -0.33 0.09 0.00 0.00 178.44 178.22 2jsn h GLU 74 N 1.03 0.64 -0.43 1.13 4.39 -1.69 -0.23 114.58 119.41 2jsn h GLU 74 Ca 0.20 -0.58 0.01 0.00 0.34 0.00 0.00 59.36 59.34 2jsn h GLU 74 Cb 0.43 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 2jsn h GLU 74 CO 0.01 1.19 0.26 -0.92 -1.16 0.00 0.00 179.01 178.40 2jsn h TYR 75 N 0.41 0.49 0.01 4.33 3.20 -0.58 -0.23 116.97 124.60 2jsn h TYR 75 Ca -0.07 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.62 2jsn h TYR 75 Cb 1.49 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.58 2jsn h TYR 75 CO 0.08 0.29 -0.90 -0.07 -1.64 0.00 0.00 178.16 175.93 2jsn h LEU 76 N 0.53 0.14 -1.18 2.82 3.38 -1.11 -3.28 115.31 116.60 2jsn h LEU 76 Ca 0.16 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2jsn h LEU 76 Cb -0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2jsn h LEU 76 CO -0.06 0.96 -0.13 1.23 0.09 0.00 0.00 178.44 180.53 2jsn h GLY 77 N 2.22 0.44 -6.21 0.83 0.00 -0.45 -3.42 103.07 96.48 2jsn h GLY 77 Ca -0.03 -0.30 -0.56 0.00 0.00 0.00 0.00 47.33 46.44 2jsn h GLY 77 CO 0.13 0.27 1.30 0.21 0.00 0.00 0.00 176.54 178.45 2jsn s ASN 78 N -6.81 6.03 0.31 0.19 2.47 -0.15 -4.90 114.94 112.09 2jsn s ASN 78 Ca -0.07 2.03 0.26 0.00 0.42 0.00 0.00 52.86 55.50 2jsn s ASN 78 Cb 0.15 -2.52 1.01 0.00 -1.45 0.00 0.00 41.25 38.43 2jsn s ASN 78 CO 0.76 -1.48 1.77 1.55 -3.72 0.00 0.00 177.10 175.98 2jsn h PRO 79 N 12.39 0.00 0.00 0.43 0.13 -1.90 -1.01 132.00 142.04 2jsn h PRO 79 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2jsn h PRO 79 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2jsn h PRO 79 CO 0.97 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.74 2jsn n ALA 80 N -1.84 1.22 -1.76 -0.56 0.00 -1.26 -2.49 120.51 113.82 2jsn n ALA 80 Ca 0.02 0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.65 2jsn n ALA 80 Cb 0.28 -1.31 0.07 0.00 0.00 0.00 0.00 19.45 18.49 2jsn n ALA 80 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2jsn n ASN 81 N -2.17 1.02 0.20 0.00 5.15 -0.40 -4.85 115.26 114.21 2jsn n ASN 81 Ca -0.00 -2.51 -0.15 0.00 -0.60 0.00 0.00 54.58 51.32 2jsn n ASN 81 Cb 0.09 -0.32 -0.08 0.00 -0.53 0.00 0.00 39.78 38.95 2jsn n ASN 81 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 2jsn h TYR 82 N 0.25 -0.48 -3.12 1.20 0.05 -1.26 -3.41 116.97 110.20 2jsn h TYR 82 Ca -0.03 -0.01 -0.57 0.00 0.05 0.00 0.00 58.73 58.17 2jsn h TYR 82 Cb 1.32 0.17 -0.05 0.00 1.01 0.00 0.00 36.73 39.18 2jsn h TYR 82 CO 0.15 -0.29 1.07 -1.25 -1.05 0.00 0.00 178.16 176.79 2jsn s PRO 83 N -6.11 3.67 0.01 4.88 0.04 -1.26 -4.05 135.00 132.19 2jsn s PRO 83 Ca -0.15 1.16 -0.12 0.00 0.04 0.00 0.00 61.00 61.93 2jsn s PRO 83 Cb 0.05 -4.00 0.02 0.00 0.04 0.00 0.00 34.50 30.60 2jsn s PRO 83 CO 0.64 -1.44 0.26 0.14 0.04 0.00 0.00 177.00 176.65 2jsn s VAL 84 N 5.25 0.08 0.23 -0.36 -7.23 -0.57 -5.02 120.40 112.78 2jsn s VAL 84 Ca 0.63 -0.64 -0.21 0.00 -1.81 0.00 0.00 61.98 59.94 2jsn s VAL 84 Cb -0.17 -0.73 -0.08 0.00 0.56 0.00 0.00 36.38 35.95 2jsn s VAL 84 CO 0.30 -0.35 0.77 -0.44 -0.31 0.00 0.00 175.10 175.06 2jsn s SER 85 N -1.68 7.13 -0.02 4.85 0.01 -1.26 -0.74 113.70 121.99 2jsn s SER 85 Ca -0.10 1.51 0.02 0.00 1.31 0.00 0.00 55.95 58.69 2jsn s SER 85 Cb -0.04 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2jsn s SER 85 CO 0.00 0.03 -0.07 -0.63 0.41 0.00 0.00 173.24 172.99 2jsn s ILE 86 N -1.51 0.60 -0.25 1.44 1.01 0.00 -0.43 121.20 122.07 2jsn s ILE 86 Ca 0.44 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.74 2jsn s ILE 86 Cb -0.17 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 2jsn s ILE 86 CO 0.22 0.20 0.11 -0.60 0.00 0.00 0.00 174.94 174.86 2jsn s ARG 87 N 0.24 3.82 0.51 2.79 3.52 0.10 -1.59 118.95 128.34 2jsn s ARG 87 Ca -0.03 -0.40 0.07 0.00 -0.13 0.00 0.00 55.73 55.24 2jsn s ARG 87 Cb -0.08 -3.42 0.03 0.00 -1.56 0.00 0.00 34.95 29.93 2jsn s ARG 87 CO 0.00 -0.10 0.48 -0.06 -0.81 0.00 0.00 175.30 174.81 2jsn s PHE 88 N 1.42 1.89 0.09 5.12 0.08 -1.26 -0.42 117.98 124.91 2jsn s PHE 88 Ca 0.06 -0.72 -0.26 0.00 0.12 0.00 0.00 56.93 56.13 2jsn s PHE 88 Cb -0.15 -2.05 0.09 0.00 -0.57 0.00 0.00 43.02 40.34 2jsn s PHE 88 CO 0.05 -0.51 1.12 0.20 -0.10 0.00 0.00 175.22 175.98 2jsn s GLY 89 N -4.32 -0.19 0.34 4.36 0.00 -0.08 -0.76 107.32 106.67 2jsn s GLY 89 Ca 0.44 0.18 -0.28 0.00 0.00 0.00 0.00 44.72 45.05 2jsn s GLY 89 CO 0.27 1.30 1.26 0.50 0.00 0.00 0.00 173.10 176.42 2jsn s ARG 90 N -2.59 4.34 0.67 2.90 3.00 -0.31 -1.02 118.95 125.94 2jsn s ARG 90 Ca 0.17 2.11 -0.17 0.00 0.00 0.00 0.00 55.73 57.84 2jsn s ARG 90 Cb 0.00 -3.02 -0.01 0.00 0.00 0.00 0.00 34.95 31.92 2jsn s ARG 90 CO 0.01 -0.17 1.06 -2.30 0.00 0.00 0.00 175.30 173.90 2jsn n PRO 91 N 0.73 0.76 -1.90 3.54 -0.02 -1.26 -4.74 135.00 132.11 2jsn n PRO 91 Ca 0.01 0.31 -0.36 0.00 -2.02 0.00 0.00 63.50 61.44 2jsn n PRO 91 Cb 0.43 -2.30 0.05 0.00 -0.02 0.00 0.00 33.50 31.66 2jsn n PRO 91 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2jsn s ARG 92 N -3.22 2.80 0.15 -0.52 6.06 -1.26 -5.05 118.95 117.91 2jsn s ARG 92 Ca 0.77 1.88 0.02 0.00 -2.50 0.00 0.00 55.73 55.90 2jsn s ARG 92 Cb -0.37 -1.90 -0.01 0.00 0.06 0.00 0.00 34.95 32.73 2jsn s ARG 92 CO 0.46 -1.35 0.08 -0.11 -2.50 0.00 0.00 175.30 171.88 2jsn n LEU 93 N -1.77 0.00 0.09 -0.88 7.94 -1.26 -5.05 117.00 116.06 2jsn n LEU 93 Ca 0.14 -1.23 -0.12 0.00 -1.11 0.00 0.00 56.01 53.69 2jsn n LEU 93 Cb 0.49 0.50 -0.05 0.00 0.53 0.00 0.00 43.42 44.89 2jsn n LEU 93 CO 0.45 -0.19 0.73 0.71 -1.11 0.00 0.00 177.39 177.98 2jsn h THR 94 N 1.32 0.54 -3.99 1.96 1.35 -1.99 -3.42 112.91 108.68 2jsn h THR 94 Ca -0.11 0.00 -0.55 0.00 -0.55 0.00 0.00 66.41 65.20 2jsn h THR 94 Cb 0.47 0.54 0.17 0.00 -1.73 0.00 0.00 68.15 67.61 2jsn h THR 94 CO 0.17 0.00 0.28 -1.20 -0.25 0.00 0.00 175.52 174.53 2jsn n SER 95 N -5.33 1.08 0.00 5.36 7.64 -1.26 -5.22 113.62 115.89 2jsn n SER 95 Ca -0.06 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.51 2jsn n SER 95 Cb 0.24 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 61.96 2jsn n SER 95 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83