#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 -0.27 0.00 -5.12 0.00 -1.26 -4.94 105.19 93.59 2jsn n GLY 2 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2jsn n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jsn n HIS 3 N 0.00 0.00 0.25 1.61 -0.00 -1.26 -2.47 115.22 113.36 2jsn n HIS 3 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.81 2jsn n HIS 3 Cb 0.42 -0.18 0.65 0.00 -0.00 0.00 0.00 29.99 30.88 2jsn n HIS 3 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2jsn h HIS 4 N 0.00 0.00 -3.62 4.41 3.86 -2.09 -3.43 115.15 114.27 2jsn h HIS 4 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 2jsn h HIS 4 Cb 0.08 0.00 0.06 0.00 1.06 0.00 0.00 27.41 28.61 2jsn h HIS 4 CO 0.00 0.07 0.71 -1.01 0.86 0.00 0.00 177.93 178.56 2jsn s HIS 5 N -4.78 3.00 0.13 2.45 4.02 -1.03 -5.03 115.29 114.05 2jsn s HIS 5 Ca -0.04 1.20 -0.06 0.00 1.02 0.00 0.00 55.06 57.17 2jsn s HIS 5 Cb 0.16 -3.78 -0.02 0.00 -1.02 0.00 0.00 32.58 27.93 2jsn s HIS 5 CO 0.65 -2.35 0.18 -1.01 1.02 0.00 0.00 174.74 173.23 2jsn s HIS 6 N -0.53 0.49 0.36 1.40 0.09 -1.26 -5.14 115.29 110.69 2jsn s HIS 6 Ca 0.55 -0.88 -0.28 0.00 -0.00 0.00 0.00 55.06 54.44 2jsn s HIS 6 Cb -0.41 -0.20 -0.11 0.00 -0.00 0.00 0.00 32.58 31.86 2jsn s HIS 6 CO 0.49 -0.61 1.48 0.72 -0.00 0.00 0.00 174.74 176.82 2jsn n HIS 7 N -0.13 2.89 0.00 1.40 -0.00 -1.26 -4.83 115.22 113.29 2jsn n HIS 7 Ca -0.09 0.43 0.00 0.00 -0.00 0.00 0.00 57.72 58.06 2jsn n HIS 7 Cb 0.63 -2.53 0.00 0.00 -0.00 0.00 0.00 29.99 28.09 2jsn n HIS 7 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2jsn n HIS 8 N 0.71 0.00 -1.77 4.41 1.44 -1.26 -5.12 115.22 113.63 2jsn n HIS 8 Ca 0.03 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.33 2jsn n HIS 8 Cb 0.38 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.50 2jsn n HIS 8 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 2jsn n LEU 9 N -0.79 5.03 0.17 2.39 7.94 -1.26 -4.93 117.00 125.56 2jsn n LEU 9 Ca 0.00 1.16 0.02 0.00 -1.11 0.00 0.00 56.01 56.08 2jsn n LEU 9 Cb 0.00 -1.61 0.35 0.00 0.53 0.00 0.00 43.42 42.68 2jsn n LEU 9 CO 0.00 -0.02 0.72 -0.78 -1.11 0.00 0.00 177.39 176.20 2jsn h ASP 10 N 2.54 0.03 -4.17 1.96 3.58 -2.04 -3.45 116.42 114.87 2jsn h ASP 10 Ca -0.51 -0.01 -0.54 0.00 0.42 0.00 0.00 57.03 56.39 2jsn h ASP 10 Cb 1.26 -0.01 0.18 0.00 1.72 0.00 0.00 39.33 42.48 2jsn h ASP 10 CO 0.62 0.40 0.32 -1.20 -2.88 0.00 0.00 179.24 176.50 2jsn n SER 11 N -4.10 1.02 -4.58 2.28 7.64 -1.26 -5.02 113.62 109.60 2jsn n SER 11 Ca -0.02 0.60 -0.29 0.00 1.01 0.00 0.00 58.87 60.17 2jsn n SER 11 Cb 0.41 -1.50 0.21 0.00 -1.01 0.00 0.00 64.21 62.31 2jsn n SER 11 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2jsn s TYR 12 N -2.08 1.70 0.11 1.43 1.13 -1.26 -5.03 117.35 113.34 2jsn s TYR 12 Ca 0.74 1.19 -0.04 0.00 -1.41 0.00 0.00 57.07 57.54 2jsn s TYR 12 Cb -0.30 -3.17 -0.03 0.00 -1.10 0.00 0.00 41.96 37.37 2jsn s TYR 12 CO 0.50 -3.34 0.11 0.00 -2.51 0.00 0.00 175.55 170.32 2jsn s ALA 13 N -2.68 0.37 0.53 9.51 0.00 -1.26 -5.14 121.76 123.10 2jsn s ALA 13 Ca 0.67 -1.11 -0.19 0.00 0.00 0.00 0.00 51.96 51.33 2jsn s ALA 13 Cb -0.22 0.65 -0.10 0.00 0.00 0.00 0.00 23.12 23.45 2jsn s ALA 13 CO 0.61 -0.50 0.46 -2.30 0.00 0.00 0.00 175.76 174.03 2jsn n PRO 14 N -0.07 0.48 -1.73 0.00 -0.02 -1.26 -4.91 135.00 127.48 2jsn n PRO 14 Ca -0.10 0.18 -0.31 0.00 -2.02 0.00 0.00 63.50 61.26 2jsn n PRO 14 Cb 0.63 -1.59 0.05 0.00 -0.02 0.00 0.00 33.50 32.57 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 0.26 3.11 -1.37 -0.52 5.12 -1.26 -5.03 116.66 116.97 2jsn n ARG 15 Ca 0.11 -3.74 -0.35 0.00 -1.93 0.00 0.00 57.85 51.94 2jsn n ARG 15 Cb 0.46 -2.28 0.10 0.00 -1.16 0.00 0.00 32.46 29.58 2jsn n ARG 15 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jsn n ALA 16 N -0.77 0.33 -0.27 7.54 0.00 -1.26 -1.17 120.51 124.90 2jsn n ALA 16 Ca 0.53 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2jsn n ALA 16 Cb 0.74 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.94 2jsn n ALA 16 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jsn n GLU 17 N -2.52 1.37 -3.73 0.00 -0.58 0.27 -4.84 120.64 110.62 2jsn n GLU 17 Ca 0.14 -0.10 -0.12 0.00 -0.42 0.00 0.00 57.16 56.66 2jsn n GLU 17 Cb 0.49 -0.45 -0.07 0.00 -0.57 0.00 0.00 31.44 30.84 2jsn n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jsn s ALA 18 N -0.22 -0.81 -0.29 0.62 0.00 -1.08 -5.01 121.76 114.97 2jsn s ALA 18 Ca 0.00 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.14 2jsn s ALA 18 Cb 0.00 0.29 0.17 0.00 0.00 0.00 0.00 23.12 23.57 2jsn s ALA 18 CO 0.00 -0.40 0.45 -2.00 0.00 0.00 0.00 175.76 173.81 2jsn s GLU 19 N -2.33 0.44 0.05 0.00 2.56 -1.26 -3.49 118.70 114.68 2jsn s GLU 19 Ca -0.06 0.29 -0.21 0.00 0.00 0.00 0.00 54.97 54.99 2jsn s GLU 19 Cb -0.01 -0.17 0.05 0.00 2.00 0.00 0.00 34.13 35.99 2jsn s GLU 19 CO -0.02 -0.98 0.48 0.21 -0.56 0.00 0.00 175.26 174.39 2jsn s LYS 20 N 2.61 0.99 0.40 4.30 2.20 -1.10 -5.01 119.74 124.14 2jsn s LYS 20 Ca 0.11 -0.30 -0.25 0.00 -0.36 0.00 0.00 55.97 55.17 2jsn s LYS 20 Cb -0.12 0.45 -0.09 0.00 -1.51 0.00 0.00 37.83 36.56 2jsn s LYS 20 CO -0.27 -0.35 1.10 0.95 -0.36 0.00 0.00 175.35 176.41 2jsn s THR 21 N -2.51 3.47 0.09 3.43 -4.23 -1.26 -1.65 115.64 112.98 2jsn s THR 21 Ca -0.05 1.18 -0.02 0.00 -1.18 0.00 0.00 61.69 61.62 2jsn s THR 21 Cb -0.01 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.16 2jsn s THR 21 CO -0.02 0.06 0.03 -0.36 -0.54 0.00 0.00 174.62 173.78 2jsn s PHE 22 N -1.54 0.62 0.31 3.99 0.08 0.19 -4.94 117.98 116.69 2jsn s PHE 22 Ca 0.57 -1.09 -0.05 0.00 0.12 0.00 0.00 56.93 56.49 2jsn s PHE 22 Cb -0.26 -0.39 -0.00 0.00 -0.57 0.00 0.00 43.02 41.80 2jsn s PHE 22 CO 0.32 -0.46 0.45 -1.12 -0.10 0.00 0.00 175.22 174.31 2jsn s SER 23 N -2.97 0.59 0.05 1.36 0.01 -1.26 -1.01 113.70 110.47 2jsn s SER 23 Ca 0.14 -1.34 0.01 0.00 1.31 0.00 0.00 55.95 56.07 2jsn s SER 23 Cb 0.07 0.62 -0.03 0.00 0.21 0.00 0.00 66.02 66.90 2jsn s SER 23 CO -0.05 -1.22 -0.06 -0.31 0.41 0.00 0.00 173.24 172.01 2jsn s TYR 24 N -3.38 0.60 0.63 2.43 2.02 -1.26 -4.27 117.35 114.11 2jsn s TYR 24 Ca 0.29 -0.68 -0.17 0.00 -0.37 0.00 0.00 57.07 56.15 2jsn s TYR 24 Cb 0.00 -0.37 -0.02 0.00 -0.40 0.00 0.00 41.96 41.17 2jsn s TYR 24 CO 0.17 -0.17 1.14 -1.25 -1.57 0.00 0.00 175.55 173.87 2jsn s PRO 25 N -2.36 2.89 0.28 -1.71 0.04 -1.26 -5.01 135.00 127.86 2jsn s PRO 25 Ca -0.04 1.57 -0.21 0.00 0.04 0.00 0.00 61.00 62.36 2jsn s PRO 25 Cb -0.04 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.58 2jsn s PRO 25 CO -0.03 -1.21 0.75 -1.17 0.04 0.00 0.00 177.00 175.39 2jsn s LEU 26 N -4.48 -0.23 0.44 -3.56 2.96 -1.26 -5.04 118.68 107.51 2jsn s LEU 26 Ca 0.71 -0.64 0.12 0.00 -0.22 0.00 0.00 54.13 54.10 2jsn s LEU 26 Cb -0.24 2.69 1.01 0.00 0.50 0.00 0.00 46.19 50.14 2jsn s LEU 26 CO 0.37 -1.34 2.03 -0.78 -1.32 0.00 0.00 176.35 175.31 2jsn h ASP 27 N 2.00 0.35 -2.71 3.68 3.58 -1.95 -3.42 116.42 117.96 2jsn h ASP 27 Ca -0.21 -0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.72 2jsn h ASP 27 Cb 1.25 -0.08 0.04 0.00 1.72 0.00 0.00 39.33 42.26 2jsn h ASP 27 CO 0.25 0.23 0.98 -0.22 -2.88 0.00 0.00 179.24 177.60 2jsn s LEU 28 N -9.34 4.37 0.01 2.28 2.96 -1.26 -3.73 118.68 113.97 2jsn s LEU 28 Ca -0.07 2.69 -0.04 0.00 -0.22 0.00 0.00 54.13 56.49 2jsn s LEU 28 Cb 0.18 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.28 2jsn s LEU 28 CO 0.73 -0.91 0.06 -0.22 -1.32 0.00 0.00 176.35 174.69 2jsn s LEU 29 N 1.68 1.89 0.10 -0.68 2.96 -0.19 -4.95 118.68 119.49 2jsn s LEU 29 Ca 0.74 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 54.32 2jsn s LEU 29 Cb -0.45 0.41 -0.04 0.00 0.50 0.00 0.00 46.19 46.61 2jsn s LEU 29 CO 0.32 -0.35 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.14 2jsn s LEU 30 N -1.48 2.41 0.04 -0.68 1.43 -1.26 -0.42 118.68 118.73 2jsn s LEU 30 Ca -0.15 -0.82 -0.04 0.00 -1.03 0.00 0.00 54.13 52.09 2jsn s LEU 30 Cb -0.08 -0.33 -0.02 0.00 0.03 0.00 0.00 46.19 45.79 2jsn s LEU 30 CO 0.00 -0.26 0.06 -1.59 0.23 0.00 0.00 176.35 174.80 2jsn s LYS 31 N -2.84 0.57 -0.13 1.70 0.00 -0.43 -4.73 119.74 113.89 2jsn s LYS 31 Ca 0.06 -0.83 -0.15 0.00 0.00 0.00 0.00 55.97 55.05 2jsn s LYS 31 Cb -0.03 0.22 -0.05 0.00 0.00 0.00 0.00 37.83 37.98 2jsn s LYS 31 CO 0.00 -0.13 0.37 -1.17 0.00 0.00 0.00 175.35 174.42 2jsn s LEU 32 N -2.22 4.28 -0.17 2.77 1.98 -1.26 -0.75 118.68 123.30 2jsn s LEU 32 Ca -0.04 0.66 -0.15 0.00 -2.89 0.00 0.00 54.13 51.71 2jsn s LEU 32 Cb -0.00 -2.50 0.05 0.00 0.66 0.00 0.00 46.19 44.39 2jsn s LEU 32 CO -0.05 0.09 0.46 -2.28 -1.89 0.00 0.00 176.35 172.67 2jsn s HIS 33 N 0.36 -0.52 -1.50 5.38 2.46 -0.23 -4.97 115.29 116.27 2jsn s HIS 33 Ca 0.21 1.25 -0.02 0.00 0.47 0.00 0.00 55.06 56.97 2jsn s HIS 33 Cb -0.14 0.19 0.02 0.00 -0.13 0.00 0.00 32.58 32.52 2jsn s HIS 33 CO 0.07 -0.26 0.26 -3.47 -2.47 0.00 0.00 174.74 168.88 2jsn n ASP 34 N 3.01 0.04 -0.72 9.88 2.03 -1.26 -1.22 116.55 128.31 2jsn n ASP 34 Ca -0.14 -1.13 -0.09 0.00 0.52 0.00 0.00 54.79 53.94 2jsn n ASP 34 Cb 0.57 -2.37 -0.04 0.00 -0.72 0.00 0.00 41.12 38.56 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 -4.47 -1.74 -4.36 -0.67 -0.58 -1.26 -4.98 120.64 102.58 2jsn n GLU 35 Ca -0.29 0.83 -0.26 0.00 -0.42 0.00 0.00 57.16 57.02 2jsn n GLU 35 Cb 0.68 -5.27 -0.10 0.00 -0.57 0.00 0.00 31.44 26.18 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 -2.79 1.84 -0.18 3.49 3.00 -0.36 -2.60 118.95 121.35 2jsn s ARG 36 Ca 0.00 -1.45 -0.08 0.00 0.00 0.00 0.00 55.73 54.20 2jsn s ARG 36 Cb 0.00 -1.99 -0.04 0.00 0.00 0.00 0.00 34.95 32.92 2jsn s ARG 36 CO 0.00 0.40 0.08 0.08 0.00 0.00 0.00 175.30 175.86 2jsn s VAL 37 N -1.88 5.00 0.14 3.52 1.01 -0.66 -1.07 120.40 126.46 2jsn s VAL 37 Ca 0.25 0.04 0.11 0.00 0.00 0.00 0.00 61.98 62.38 2jsn s VAL 37 Cb -0.08 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 2jsn s VAL 37 CO 0.14 0.47 -0.26 -0.76 0.00 0.00 0.00 175.10 174.69 2jsn s LEU 38 N 0.26 2.36 -0.38 3.92 2.01 0.07 -1.60 118.68 125.31 2jsn s LEU 38 Ca 0.05 -0.75 -0.28 0.00 0.01 0.00 0.00 54.13 53.16 2jsn s LEU 38 Cb -0.12 -1.24 -0.02 0.00 0.01 0.00 0.00 46.19 44.83 2jsn s LEU 38 CO -0.00 0.17 1.80 -0.69 1.01 0.00 0.00 176.35 178.63 2jsn s VAL 39 N -1.15 3.47 0.02 -1.59 1.01 -0.17 -1.31 120.40 120.68 2jsn s VAL 39 Ca 0.15 0.45 0.10 0.00 0.00 0.00 0.00 61.98 62.69 2jsn s VAL 39 Cb -0.10 -3.72 -0.21 0.00 0.00 0.00 0.00 36.38 32.35 2jsn s VAL 39 CO 0.07 -0.51 0.94 0.00 0.00 0.00 0.00 175.10 175.60 2jsn h ALA 40 N 13.22 0.59 -2.93 5.51 0.00 -1.03 -0.49 119.26 134.14 2jsn h ALA 40 Ca -0.32 -1.20 -0.15 0.00 0.00 0.00 0.00 54.91 53.24 2jsn h ALA 40 Cb 1.17 0.20 -0.23 0.00 0.00 0.00 0.00 17.79 18.93 2jsn h ALA 40 CO 1.07 1.41 -0.42 0.12 0.00 0.00 0.00 179.25 181.43 2jsn s PHE 41 N -2.66 -0.16 0.00 0.00 5.36 -0.73 -4.92 117.98 114.87 2jsn s PHE 41 Ca -0.02 0.36 0.00 0.00 -0.96 0.00 0.00 56.93 56.31 2jsn s PHE 41 Cb 0.09 0.05 0.00 0.00 -0.34 0.00 0.00 43.02 42.82 2jsn s PHE 41 CO 0.82 -0.22 0.00 0.41 -1.46 0.00 0.00 175.22 174.77 2jsn n GLY 42 N 2.23 -0.42 3.40 13.12 0.00 -1.24 -1.03 105.19 121.25 2jsn n GLY 42 Ca -0.17 0.67 -0.14 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 1.64 0.00 1.61 1.03 -1.25 -1.82 119.66 120.87 2jsn s GLN 43 Ca 0.00 -1.68 0.00 0.00 0.04 0.00 0.00 55.36 53.72 2jsn s GLN 43 Cb 0.00 0.38 0.00 0.00 0.03 0.00 0.00 33.01 33.42 2jsn s GLN 43 CO 0.00 -0.64 0.00 -2.13 -2.54 0.00 0.00 175.29 169.98 2jsn n ARG 44 N -0.47 0.00 -0.08 9.60 0.63 -1.26 -4.36 116.66 120.72 2jsn n ARG 44 Ca 0.02 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.95 2jsn n ARG 44 Cb 0.63 -0.09 0.27 0.00 0.45 0.00 0.00 32.46 33.72 2jsn n ARG 44 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2jsn h ASP 45 N 0.00 0.64 0.00 6.15 3.58 -2.05 -3.47 116.42 121.27 2jsn h ASP 45 Ca 0.00 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2jsn h ASP 45 Cb 0.00 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.88 2jsn h ASP 45 CO 0.00 0.61 0.00 0.61 -2.88 0.00 0.00 179.24 177.58 2jsn n GLY 46 N -1.03 -0.88 2.24 -0.78 0.00 -1.26 -5.02 105.19 98.46 2jsn n GLY 46 Ca 0.03 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 44.86 2jsn n GLY 46 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jsn n ILE 47 N -0.04 3.00 0.17 -0.61 -5.35 -1.26 -3.91 119.36 111.37 2jsn n ILE 47 Ca 0.00 -1.66 0.03 0.00 -0.27 0.00 0.00 62.75 60.85 2jsn n ILE 47 Cb 0.00 -2.15 0.38 0.00 -1.74 0.00 0.00 39.64 36.13 2jsn n ILE 47 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 2jsn h ARG 48 N 4.40 0.07 -6.23 6.28 2.47 -1.81 -3.45 114.38 116.11 2jsn h ARG 48 Ca 0.42 -0.02 -0.63 0.00 -1.26 0.00 0.00 59.98 58.48 2jsn h ARG 48 Cb 0.80 -0.01 0.12 0.00 -1.65 0.00 0.00 29.97 29.23 2jsn h ARG 48 CO 0.90 0.35 -0.30 1.33 0.56 0.00 0.00 179.97 182.81 2jsn n VAL 49 N -4.17 1.88 0.00 2.04 0.24 -0.76 -2.76 118.33 114.79 2jsn n VAL 49 Ca -0.02 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 2jsn n VAL 49 Cb 0.35 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 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 1.71 2.71 3.79 7.63 0.00 -0.19 -4.95 105.19 115.88 2jsn n GLY 50 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.06 2.84 -0.02 1.61 4.02 -1.11 -4.74 115.29 115.83 2jsn s HIS 51 Ca 0.00 1.50 0.00 0.00 1.02 0.00 0.00 55.06 57.58 2jsn s HIS 51 Cb 0.00 -3.00 -0.04 0.00 -1.02 0.00 0.00 32.58 28.53 2jsn s HIS 51 CO 0.00 -1.48 0.02 0.00 1.02 0.00 0.00 174.74 174.31 2jsn s ALA 52 N -2.82 3.37 0.66 -1.40 0.00 -0.11 -1.00 121.76 120.46 2jsn s ALA 52 Ca 0.61 -0.90 -0.17 0.00 0.00 0.00 0.00 51.96 51.50 2jsn s ALA 52 Cb -0.16 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.53 2jsn s ALA 52 CO 0.51 0.65 1.21 0.54 0.00 0.00 0.00 175.76 178.67 2jsn s VAL 53 N -1.08 2.44 0.00 0.00 0.11 -0.63 -1.11 120.40 120.13 2jsn s VAL 53 Ca 0.19 0.25 0.00 0.00 -2.93 0.00 0.00 61.98 59.49 2jsn s VAL 53 Cb -0.12 -2.95 0.00 0.00 -1.53 0.00 0.00 36.38 31.78 2jsn s VAL 53 CO 0.10 -0.09 0.00 0.18 -3.33 0.00 0.00 175.10 171.96 2jsn n LEU 54 N -2.16 0.94 -3.70 2.54 4.77 0.19 -4.84 117.00 114.74 2jsn n LEU 54 Ca 0.14 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.01 2jsn n LEU 54 Cb 0.50 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 2jsn n LEU 54 CO 0.46 0.11 0.08 0.00 -1.33 0.00 0.00 177.39 176.71 2jsn s ALA 55 N -1.46 -0.74 -0.00 -1.18 0.00 -0.59 -1.50 121.76 116.29 2jsn s ALA 55 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.82 2jsn s ALA 55 Cb 0.00 0.56 -0.00 0.00 0.00 0.00 0.00 23.12 23.68 2jsn s ALA 55 CO 0.00 -0.56 -0.02 0.42 0.00 0.00 0.00 175.76 175.60 2jsn s ILE 56 N -3.53 0.15 -0.71 0.00 1.01 -0.10 -0.93 121.20 117.08 2jsn s ILE 56 Ca 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 60.65 60.57 2jsn s ILE 56 Cb 0.02 -0.13 0.02 0.00 0.01 0.00 0.00 42.46 42.37 2jsn s ILE 56 CO -0.10 0.04 0.08 0.59 0.00 0.00 0.00 174.94 175.56 2jsn n ASN 57 N 3.04 -2.73 0.00 3.58 3.02 0.42 -0.97 115.26 121.63 2jsn n ASN 57 Ca -0.12 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 2jsn n ASN 57 Cb 0.59 -2.36 0.00 0.00 -0.61 0.00 0.00 39.78 37.40 2jsn n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jsn n GLY 58 N -0.75 0.48 3.13 7.41 0.00 -1.26 -5.01 105.19 109.19 2jsn n GLY 58 Ca -0.07 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 2jsn n GLY 58 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2jsn s MET 59 N -1.49 2.02 0.35 1.61 0.23 -0.15 -5.13 119.30 116.75 2jsn s MET 59 Ca 0.00 -0.62 -0.26 0.00 -1.03 0.00 0.00 55.69 53.78 2jsn s MET 59 Cb 0.00 -1.68 -0.13 0.00 -1.53 0.00 0.00 34.83 31.49 2jsn s MET 59 CO 0.00 0.19 0.97 -3.47 -2.03 0.00 0.00 175.02 170.68 2jsn n ASP 60 N 3.37 1.10 -4.33 -1.18 2.03 -1.26 -0.92 116.55 115.35 2jsn n ASP 60 Ca -0.19 1.10 -0.33 0.00 0.52 0.00 0.00 54.79 55.89 2jsn n ASP 60 Cb 0.53 -1.30 -0.15 0.00 -0.72 0.00 0.00 41.12 39.48 2jsn n ASP 60 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2jsn s VAL 61 N -1.18 2.87 -1.23 5.18 -7.23 -0.56 -3.11 120.40 115.15 2jsn s VAL 61 Ca 0.60 -0.72 -0.18 0.00 -1.81 0.00 0.00 61.98 59.87 2jsn s VAL 61 Cb -0.64 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.09 2jsn s VAL 61 CO 0.59 0.52 1.96 -3.20 -0.31 0.00 0.00 175.10 174.66 2jsn n ASN 62 N 3.67 3.80 0.00 4.85 5.15 0.99 -4.76 115.26 128.97 2jsn n ASN 62 Ca -0.18 -2.81 0.00 0.00 -0.60 0.00 0.00 54.58 50.99 2jsn n ASN 62 Cb 0.52 -1.60 0.00 0.00 -0.53 0.00 0.00 39.78 38.18 2jsn n ASN 62 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jsn n GLY 63 N 4.89 1.06 0.00 8.20 0.00 -1.26 -1.48 105.19 116.59 2jsn n GLY 63 Ca 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 0.06 -4.89 1.61 1.85 -1.07 -1.65 116.66 112.56 2jsn n ARG 64 Ca 0.00 -0.49 -0.29 0.00 -1.00 0.00 0.00 57.85 56.07 2jsn n ARG 64 Cb 0.00 -0.51 -0.15 0.00 -1.05 0.00 0.00 32.46 30.75 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 -0.02 2.15 1.07 2.89 1.51 -0.55 -0.68 117.35 123.72 2jsn s TYR 65 Ca 0.00 -0.40 -0.16 0.00 -1.01 0.00 0.00 57.07 55.50 2jsn s TYR 65 Cb 0.00 -1.31 0.22 0.00 -0.11 0.00 0.00 41.96 40.77 2jsn s TYR 65 CO 0.00 0.09 1.13 0.95 -1.11 0.00 0.00 175.55 176.61 2jsn s THR 66 N -0.76 1.83 0.31 -0.71 -4.23 0.45 -0.01 115.64 112.52 2jsn s THR 66 Ca 0.10 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.62 2jsn s THR 66 Cb -0.10 -2.58 0.28 0.00 1.34 0.00 0.00 72.50 71.44 2jsn s THR 66 CO 0.01 0.00 1.93 0.00 -0.54 0.00 0.00 174.62 176.03 2jsn h ALA 67 N -2.11 1.51 -0.32 3.99 0.00 -1.88 -2.56 119.26 117.90 2jsn h ALA 67 Ca -0.49 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.21 2jsn h ALA 67 Cb 1.31 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2jsn h ALA 67 CO 0.47 0.38 -0.48 0.22 0.00 0.00 0.00 179.25 179.84 2jsn h ASP 68 N 1.02 0.96 0.00 0.00 3.58 -1.92 -3.48 116.42 116.57 2jsn h ASP 68 Ca 0.36 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 57.32 2jsn h ASP 68 Cb 0.12 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.89 2jsn h ASP 68 CO -0.12 1.28 0.00 0.61 -2.88 0.00 0.00 179.24 178.13 2jsn n GLY 69 N 0.26 0.44 3.76 -0.78 0.00 -0.96 -5.13 105.19 102.78 2jsn n GLY 69 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 3.60 0.21 1.61 -0.14 -1.26 -4.56 119.74 119.19 2jsn s LYS 70 Ca 0.00 2.33 -0.30 0.00 -1.36 0.00 0.00 55.97 56.64 2jsn s LYS 70 Cb 0.00 -2.57 -0.09 0.00 -1.68 0.00 0.00 37.83 33.49 2jsn s LYS 70 CO 0.00 -0.86 1.31 -1.21 -0.76 0.00 0.00 175.35 173.84 2jsn s GLU 71 N -2.54 4.38 0.20 1.68 2.02 -1.26 -0.41 118.70 122.77 2jsn s GLU 71 Ca 0.63 2.07 -0.11 0.00 0.02 0.00 0.00 54.97 57.58 2jsn s GLU 71 Cb -0.42 -3.18 0.22 0.00 0.10 0.00 0.00 34.13 30.85 2jsn s GLU 71 CO 0.53 -0.25 1.76 0.28 0.02 0.00 0.00 175.26 177.60 2jsn h VAL 72 N 3.69 0.85 -0.35 2.63 2.07 -1.23 0.11 116.25 124.02 2jsn h VAL 72 Ca -0.45 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 66.81 2jsn h VAL 72 Cb 1.22 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2jsn h VAL 72 CO 0.77 0.08 -0.22 -0.07 0.02 0.00 0.00 177.57 178.15 2jsn h LEU 73 N 0.45 0.67 -0.23 2.57 3.38 -1.92 -0.59 115.31 119.64 2jsn h LEU 73 Ca 0.27 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2jsn h LEU 73 Cb 0.28 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2jsn h LEU 73 CO -0.24 0.88 -0.32 -0.08 0.09 0.00 0.00 178.44 178.76 2jsn h GLU 74 N 0.59 0.62 -0.49 1.13 4.81 -1.80 -0.15 114.58 119.29 2jsn h GLU 74 Ca 0.09 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2jsn h GLU 74 Cb 0.69 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 2jsn h GLU 74 CO 0.05 0.97 0.32 -0.92 -0.73 0.00 0.00 179.01 178.70 2jsn h TYR 75 N 0.32 0.63 -0.01 0.92 3.20 -0.51 -0.66 116.97 120.86 2jsn h TYR 75 Ca 0.02 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.71 2jsn h TYR 75 Cb 0.91 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 2jsn h TYR 75 CO 0.08 0.41 -0.84 -0.07 -1.64 0.00 0.00 178.16 176.10 2jsn h LEU 76 N 0.66 0.30 -1.11 2.82 3.38 -1.16 -3.27 115.31 116.93 2jsn h LEU 76 Ca 0.18 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 2jsn h LEU 76 Cb -0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2jsn h LEU 76 CO -0.04 1.01 -0.41 1.23 0.09 0.00 0.00 178.44 180.32 2jsn h GLY 77 N 1.71 0.07 -6.23 0.83 0.00 -0.49 -3.40 103.07 95.56 2jsn h GLY 77 Ca -0.04 -0.07 -0.56 0.00 0.00 0.00 0.00 47.33 46.66 2jsn h GLY 77 CO 0.13 0.06 1.37 0.21 0.00 0.00 0.00 176.54 178.31 2jsn s ASN 78 N -6.91 5.91 0.25 0.19 2.47 -0.30 -4.89 114.94 111.67 2jsn s ASN 78 Ca -0.03 2.22 0.24 0.00 0.42 0.00 0.00 52.86 55.71 2jsn s ASN 78 Cb 0.14 -2.52 0.96 0.00 -1.45 0.00 0.00 41.25 38.38 2jsn s ASN 78 CO 0.74 -1.55 1.72 -0.81 -3.72 0.00 0.00 177.10 173.48 2jsn n PRO 79 N 8.20 0.20 0.16 0.43 -0.04 -1.26 -1.08 135.00 141.60 2jsn n PRO 79 Ca 0.25 0.40 0.12 0.00 -0.04 0.00 0.00 63.50 64.23 2jsn n PRO 79 Cb 0.43 -1.86 0.58 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.18 0.55 0.00 -1.95 -2.53 119.26 118.45 2jsn h ALA 80 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 2jsn h ALA 80 Cb 0.40 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.87 2jsn h ALA 80 CO 0.00 0.00 -0.92 -1.71 0.00 0.00 0.00 179.25 176.62 2jsn n ASN 81 N -2.30 1.70 0.11 0.00 5.15 -0.24 -4.86 115.26 114.81 2jsn n ASN 81 Ca -0.00 -2.59 -0.13 0.00 -0.60 0.00 0.00 54.58 51.25 2jsn n ASN 81 Cb 0.10 -0.39 -0.08 0.00 -0.53 0.00 0.00 39.78 38.88 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 1.49 -0.24 -2.96 1.20 -1.99 -1.18 -3.43 116.97 109.86 2jsn h TYR 82 Ca -0.10 -0.01 -0.54 0.00 2.00 0.00 0.00 58.73 60.08 2jsn h TYR 82 Cb 1.53 0.08 -0.01 0.00 2.00 0.00 0.00 36.73 40.33 2jsn h TYR 82 CO 0.45 0.04 0.79 -1.25 -0.00 0.00 0.00 178.16 178.19 2jsn s PRO 83 N -5.07 4.30 0.27 4.88 0.04 -1.26 -4.18 135.00 133.98 2jsn s PRO 83 Ca -0.15 1.89 -0.10 0.00 0.04 0.00 0.00 61.00 62.68 2jsn s PRO 83 Cb 0.03 -3.56 -0.00 0.00 0.04 0.00 0.00 34.50 31.01 2jsn s PRO 83 CO 0.61 -0.53 0.46 0.14 0.04 0.00 0.00 177.00 177.72 2jsn s VAL 84 N 2.29 0.00 -0.02 -0.36 -7.23 -0.18 -5.01 120.40 109.89 2jsn s VAL 84 Ca 0.62 -1.48 0.05 0.00 -1.81 0.00 0.00 61.98 59.36 2jsn s VAL 84 Cb -0.30 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 2jsn s VAL 84 CO 0.25 0.00 -0.18 -0.44 -0.31 0.00 0.00 175.10 174.42 2jsn s SER 85 N -3.07 2.18 0.01 4.85 0.01 -1.26 -0.63 113.70 115.78 2jsn s SER 85 Ca 0.25 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 57.17 2jsn s SER 85 Cb -0.00 -0.34 -0.01 0.00 0.21 0.00 0.00 66.02 65.88 2jsn s SER 85 CO 0.11 0.21 -0.03 -0.63 0.41 0.00 0.00 173.24 173.31 2jsn s ILE 86 N -0.31 0.18 -0.09 1.44 1.01 -0.66 -0.43 121.20 122.35 2jsn s ILE 86 Ca 0.04 -0.40 0.04 0.00 0.00 0.00 0.00 60.65 60.33 2jsn s ILE 86 Cb -0.08 -0.22 -0.01 0.00 0.01 0.00 0.00 42.46 42.16 2jsn s ILE 86 CO 0.00 -0.14 -0.22 -0.13 0.00 0.00 0.00 174.94 174.45 2jsn s ARG 87 N -0.57 2.88 0.17 2.79 0.52 -0.11 -2.73 118.95 121.90 2jsn s ARG 87 Ca -0.05 -0.84 -0.06 0.00 -0.52 0.00 0.00 55.73 54.26 2jsn s ARG 87 Cb -0.04 -2.32 -0.02 0.00 0.52 0.00 0.00 34.95 33.09 2jsn s ARG 87 CO -0.00 0.30 0.22 -0.59 0.02 0.00 0.00 175.30 175.25 2jsn s PHE 88 N 0.07 0.61 -2.57 -0.53 -0.12 -1.23 -0.64 117.98 113.57 2jsn s PHE 88 Ca -0.09 -0.96 0.00 0.00 -0.05 0.00 0.00 56.93 55.83 2jsn s PHE 88 Cb -0.15 -0.21 0.00 0.00 -0.63 0.00 0.00 43.02 42.03 2jsn s PHE 88 CO 0.06 -0.68 0.00 0.41 -0.05 0.00 0.00 175.22 174.96 2jsn n GLY 89 N -0.20 -0.56 3.76 1.99 0.00 -0.27 -0.56 105.19 109.35 2jsn n GLY 89 Ca -0.05 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.03 2.34 0.78 1.61 3.00 -0.32 -0.93 118.95 124.40 2jsn s ARG 90 Ca 0.00 1.28 -0.14 0.00 0.00 0.00 0.00 55.73 56.87 2jsn s ARG 90 Cb 0.00 -1.90 0.06 0.00 0.00 0.00 0.00 34.95 33.11 2jsn s ARG 90 CO 0.00 -1.60 1.17 -0.35 0.00 0.00 0.00 175.30 174.52 2jsn n PRO 91 N -3.21 0.33 0.00 3.54 -0.04 -1.26 -4.32 135.00 130.04 2jsn n PRO 91 Ca 0.10 0.18 0.09 0.00 -0.04 0.00 0.00 63.50 63.83 2jsn n PRO 91 Cb 0.53 -2.41 0.45 0.00 -0.04 0.00 0.00 33.50 32.02 2jsn n PRO 91 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jsn n ARG 92 N -2.90 0.17 -4.14 0.54 1.74 -1.26 -4.56 116.66 106.24 2jsn n ARG 92 Ca 0.14 0.14 -0.09 0.00 -0.77 0.00 0.00 57.85 57.26 2jsn n ARG 92 Cb 0.50 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.34 2jsn n ARG 92 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2jsn s LEU 93 N -2.74 2.37 0.59 0.55 2.96 -1.26 -4.83 118.68 116.32 2jsn s LEU 93 Ca 0.14 -1.05 0.34 0.00 -0.22 0.00 0.00 54.13 53.35 2jsn s LEU 93 Cb 0.12 0.08 1.87 0.00 0.50 0.00 0.00 46.19 48.77 2jsn s LEU 93 CO 0.31 -0.56 2.22 0.71 -1.32 0.00 0.00 176.35 177.71 2jsn h THR 94 N 3.00 0.34 -2.30 3.68 1.35 -2.02 -3.43 112.91 113.52 2jsn h THR 94 Ca -0.35 -0.19 -0.57 0.00 -0.55 0.00 0.00 66.41 64.75 2jsn h THR 94 Cb 1.16 1.14 0.05 0.00 -1.73 0.00 0.00 68.15 68.77 2jsn h THR 94 CO 0.64 0.03 0.95 -1.20 -0.25 0.00 0.00 175.52 175.70 2jsn n SER 95 N -3.49 3.46 0.00 5.36 7.64 -1.26 -5.08 113.62 120.24 2jsn n SER 95 Ca -0.02 1.04 0.01 0.00 1.01 0.00 0.00 58.87 60.90 2jsn n SER 95 Cb 0.14 -1.45 0.04 0.00 -1.01 0.00 0.00 64.21 61.93 2jsn n SER 95 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83