#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 -0.99 4.10 -5.12 0.00 -1.26 -5.02 105.19 96.90 2jsn n GLY 2 Ca 0.00 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 2jsn n GLY 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2jsn n HIS 3 N -0.00 -1.59 -0.99 1.61 -0.00 -1.26 -4.95 115.22 108.05 2jsn n HIS 3 Ca 0.00 0.73 -0.32 0.00 -0.00 0.00 0.00 57.72 58.13 2jsn n HIS 3 Cb 0.00 -3.34 0.14 0.00 -0.00 0.00 0.00 29.99 26.79 2jsn n HIS 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jsn s HIS 4 N -3.87 1.79 0.51 1.57 5.65 -1.26 -4.98 115.29 114.71 2jsn s HIS 4 Ca 0.19 1.71 -0.22 0.00 0.25 0.00 0.00 55.06 56.99 2jsn s HIS 4 Cb -0.11 -3.40 -0.07 0.00 -1.18 0.00 0.00 32.58 27.82 2jsn s HIS 4 CO 0.92 -2.75 1.19 1.58 -0.65 0.00 0.00 174.74 175.03 2jsn n HIS 5 N -3.63 1.74 -3.84 3.88 -0.00 -1.26 -5.02 115.22 107.08 2jsn n HIS 5 Ca 0.13 0.47 -0.09 0.00 -0.00 0.00 0.00 57.72 58.22 2jsn n HIS 5 Cb 0.51 -2.29 -0.04 0.00 -0.00 0.00 0.00 29.99 28.17 2jsn n HIS 5 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2jsn s HIS 6 N -1.32 0.03 0.74 1.57 0.00 -1.26 -5.16 115.29 109.88 2jsn s HIS 6 Ca 0.69 -0.40 -0.15 0.00 -3.00 0.00 0.00 55.06 52.19 2jsn s HIS 6 Cb -0.46 0.37 0.03 0.00 -4.00 0.00 0.00 32.58 28.52 2jsn s HIS 6 CO 0.52 -0.99 1.09 -2.39 -1.00 0.00 0.00 174.74 171.97 2jsn n HIS 7 N -0.37 1.05 -4.32 0.38 -0.00 -1.26 -5.06 115.22 105.64 2jsn n HIS 7 Ca -0.06 0.40 -0.17 0.00 -0.00 0.00 0.00 57.72 57.89 2jsn n HIS 7 Cb 0.62 -2.12 -0.10 0.00 -0.00 0.00 0.00 29.99 28.39 2jsn n HIS 7 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jsn s HIS 8 N -1.83 1.54 -0.44 -1.40 4.02 -1.26 -5.09 115.29 110.83 2jsn s HIS 8 Ca 0.75 -1.26 0.08 0.00 1.02 0.00 0.00 55.06 55.65 2jsn s HIS 8 Cb -0.33 -0.87 0.41 0.00 -1.02 0.00 0.00 32.58 30.76 2jsn s HIS 8 CO 0.49 -0.41 1.02 -0.11 1.02 0.00 0.00 174.74 176.74 2jsn n LEU 9 N -0.50 3.68 0.21 0.89 7.94 -1.26 -4.88 117.00 123.08 2jsn n LEU 9 Ca 0.00 -4.98 0.05 0.00 -1.11 0.00 0.00 56.01 49.98 2jsn n LEU 9 Cb 0.66 -0.20 0.49 0.00 0.53 0.00 0.00 43.42 44.90 2jsn n LEU 9 CO 0.36 2.12 0.91 -0.78 -1.11 0.00 0.00 177.39 178.89 2jsn h ASP 10 N 2.78 0.03 -5.11 1.96 3.58 -2.03 -3.44 116.42 114.19 2jsn h ASP 10 Ca 0.17 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.56 2jsn h ASP 10 Cb 0.90 -0.01 -0.12 0.00 1.72 0.00 0.00 39.33 41.82 2jsn h ASP 10 CO 0.74 0.21 -0.11 -0.94 -2.88 0.00 0.00 179.24 176.26 2jsn s SER 11 N -6.99 -0.17 0.14 2.28 1.04 -1.26 -5.05 113.70 103.70 2jsn s SER 11 Ca -0.04 -0.46 -0.17 0.00 0.48 0.00 0.00 55.95 55.75 2jsn s SER 11 Cb 0.16 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.77 2jsn s SER 11 CO 0.70 -0.90 1.77 0.10 0.98 0.00 0.00 173.24 175.90 2jsn h TYR 12 N 2.38 0.29 0.00 5.02 -0.00 -2.00 -3.41 116.97 119.25 2jsn h TYR 12 Ca -0.32 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.42 2jsn h TYR 12 Cb 1.25 -0.08 0.00 0.00 -0.00 0.00 0.00 36.73 37.89 2jsn h TYR 12 CO 0.35 0.16 0.00 0.00 -0.00 0.00 0.00 178.16 178.67 2jsn n ALA 13 N -2.25 0.14 0.11 0.10 0.00 -1.26 -4.86 120.51 112.49 2jsn n ALA 13 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2jsn n ALA 13 Cb 0.08 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.10 0.08 -1.65 0.00 -0.02 -1.26 -4.69 135.00 127.36 2jsn n PRO 14 Ca 0.00 0.54 -0.51 0.00 -2.02 0.00 0.00 63.50 61.50 2jsn n PRO 14 Cb 0.00 -1.89 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 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 -1.91 1.55 0.00 -0.52 1.74 -1.26 -4.28 116.66 111.98 2jsn n ARG 15 Ca -0.01 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.64 2jsn n ARG 15 Cb 0.15 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.31 2jsn n ARG 15 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jsn n ALA 16 N 4.11 0.00 -3.95 7.54 0.00 -1.26 -4.84 120.51 122.10 2jsn n ALA 16 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.38 2jsn n ALA 16 Cb 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.63 -0.86 -2.07 0.00 1.02 -1.21 -4.93 120.64 111.96 2jsn n GLU 17 Ca 0.00 0.05 -0.38 0.00 -0.02 0.00 0.00 57.16 56.81 2jsn n GLU 17 Cb 0.00 -2.66 0.00 0.00 -0.02 0.00 0.00 31.44 28.77 2jsn n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jsn s ALA 18 N -4.06 3.05 -0.08 0.62 0.00 -0.46 -4.82 121.76 116.01 2jsn s ALA 18 Ca 0.06 1.14 -0.07 0.00 0.00 0.00 0.00 51.96 53.10 2jsn s ALA 18 Cb -0.04 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.64 2jsn s ALA 18 CO 0.79 -0.88 0.20 -2.00 0.00 0.00 0.00 175.76 173.87 2jsn s GLU 19 N -2.57 0.22 0.11 0.00 2.12 -1.26 -1.08 118.70 116.25 2jsn s GLU 19 Ca 0.63 0.31 -0.19 0.00 0.36 0.00 0.00 54.97 56.08 2jsn s GLU 19 Cb -0.35 0.07 0.05 0.00 0.26 0.00 0.00 34.13 34.16 2jsn s GLU 19 CO 0.43 -0.05 0.48 0.15 -0.54 0.00 0.00 175.26 175.73 2jsn s LYS 20 N 0.30 1.11 0.31 4.30 -0.14 -0.67 -5.00 119.74 119.94 2jsn s LYS 20 Ca -0.02 -0.51 -0.27 0.00 -1.36 0.00 0.00 55.97 53.81 2jsn s LYS 20 Cb -0.03 0.50 -0.09 0.00 -1.68 0.00 0.00 37.83 36.52 2jsn s LYS 20 CO -0.01 -0.44 0.99 0.95 -0.76 0.00 0.00 175.35 176.08 2jsn s THR 21 N -3.39 3.98 0.19 2.17 -4.23 -1.26 -1.27 115.64 111.82 2jsn s THR 21 Ca 0.00 1.74 -0.06 0.00 -1.18 0.00 0.00 61.69 62.20 2jsn s THR 21 Cb 0.00 -4.01 -0.02 0.00 1.34 0.00 0.00 72.50 69.81 2jsn s THR 21 CO -0.09 0.23 0.23 -0.36 -0.54 0.00 0.00 174.62 174.08 2jsn s PHE 22 N -1.46 0.73 0.17 3.99 0.08 0.14 -4.96 117.98 116.68 2jsn s PHE 22 Ca 0.49 -1.05 0.00 0.00 0.12 0.00 0.00 56.93 56.49 2jsn s PHE 22 Cb -0.23 -0.25 -0.04 0.00 -0.57 0.00 0.00 43.02 41.92 2jsn s PHE 22 CO 0.29 -0.71 0.06 -1.12 -0.10 0.00 0.00 175.22 173.64 2jsn s SER 23 N -3.06 0.67 0.22 1.36 0.01 -1.26 -1.11 113.70 110.53 2jsn s SER 23 Ca 0.27 -1.26 -0.03 0.00 1.31 0.00 0.00 55.95 56.24 2jsn s SER 23 Cb 0.05 0.24 -0.05 0.00 0.21 0.00 0.00 66.02 66.47 2jsn s SER 23 CO 0.06 -0.71 0.45 -0.47 0.41 0.00 0.00 173.24 172.98 2jsn s TYR 24 N -3.92 3.48 0.24 2.43 5.04 -1.23 -3.65 117.35 119.74 2jsn s TYR 24 Ca 0.29 0.48 -0.30 0.00 -2.44 0.00 0.00 57.07 55.10 2jsn s TYR 24 Cb 0.07 -1.97 -0.10 0.00 0.35 0.00 0.00 41.96 40.31 2jsn s TYR 24 CO 0.06 0.32 1.52 -1.25 -1.34 0.00 0.00 175.55 174.85 2jsn s PRO 25 N -3.29 4.22 0.02 4.97 0.04 -1.26 -5.05 135.00 134.64 2jsn s PRO 25 Ca 0.41 2.39 -0.30 0.00 0.04 0.00 0.00 61.00 63.54 2jsn s PRO 25 Cb -0.11 -3.10 -0.07 0.00 0.04 0.00 0.00 34.50 31.26 2jsn s PRO 25 CO 0.28 -0.53 1.60 -1.17 0.04 0.00 0.00 177.00 177.23 2jsn s LEU 26 N 0.01 4.34 0.18 -3.56 2.96 -1.24 -4.92 118.68 116.45 2jsn s LEU 26 Ca 0.63 2.34 -0.12 0.00 -0.22 0.00 0.00 54.13 56.77 2jsn s LEU 26 Cb -0.44 -3.56 0.09 0.00 0.50 0.00 0.00 46.19 42.78 2jsn s LEU 26 CO 0.41 -0.86 1.75 -0.78 -1.32 0.00 0.00 176.35 175.56 2jsn h ASP 27 N 8.51 0.82 0.00 3.68 3.58 -1.96 -3.00 116.42 128.06 2jsn h ASP 27 Ca -0.41 -0.14 -0.43 0.00 0.42 0.00 0.00 57.03 56.47 2jsn h ASP 27 Cb 1.19 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.03 2jsn h ASP 27 CO 0.93 0.74 2.39 -0.11 -2.88 0.00 0.00 179.24 180.31 2jsn n LEU 28 N -4.49 6.16 -4.65 2.28 7.94 -1.26 -4.28 117.00 118.71 2jsn n LEU 28 Ca 0.04 -3.37 -0.42 0.00 -1.11 0.00 0.00 56.01 51.15 2jsn n LEU 28 Cb 0.14 -1.27 -0.00 0.00 0.53 0.00 0.00 43.42 42.82 2jsn n LEU 28 CO 0.38 1.31 0.73 -0.11 -1.11 0.00 0.00 177.39 178.59 2jsn n LEU 29 N 3.58 2.93 -4.33 -1.96 7.94 -1.14 -4.82 117.00 119.19 2jsn n LEU 29 Ca 0.55 1.14 -0.21 0.00 -1.11 0.00 0.00 56.01 56.37 2jsn n LEU 29 Cb 0.31 -1.40 -0.11 0.00 0.53 0.00 0.00 43.42 42.75 2jsn n LEU 29 CO 0.62 -1.00 -0.47 -0.76 -1.11 0.00 0.00 177.39 174.67 2jsn s LEU 30 N -0.62 2.46 0.06 -1.96 1.43 -1.26 -0.07 118.68 118.71 2jsn s LEU 30 Ca 0.59 -0.89 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 2jsn s LEU 30 Cb -0.59 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 2jsn s LEU 30 CO 0.60 -0.06 -0.07 -1.59 0.23 0.00 0.00 176.35 175.47 2jsn s LYS 31 N -2.93 0.60 -0.21 1.70 0.00 -0.32 -4.72 119.74 113.87 2jsn s LYS 31 Ca 0.17 -0.94 -0.18 0.00 0.00 0.00 0.00 55.97 55.02 2jsn s LYS 31 Cb -0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 37.83 37.56 2jsn s LYS 31 CO 0.07 0.01 0.48 -1.17 0.00 0.00 0.00 175.35 174.73 2jsn s LEU 32 N -2.09 4.14 -0.15 2.77 0.20 -1.26 -1.18 118.68 121.10 2jsn s LEU 32 Ca -0.03 0.60 -0.12 0.00 0.69 0.00 0.00 54.13 55.27 2jsn s LEU 32 Cb -0.04 -2.64 0.05 0.00 -0.43 0.00 0.00 46.19 43.12 2jsn s LEU 32 CO -0.02 -0.16 0.39 -2.28 -0.29 0.00 0.00 176.35 173.99 2jsn s HIS 33 N 1.62 -0.48 -1.64 5.38 2.46 -0.07 -4.89 115.29 117.67 2jsn s HIS 33 Ca 0.22 1.12 -0.17 0.00 0.47 0.00 0.00 55.06 56.70 2jsn s HIS 33 Cb -0.15 0.18 0.13 0.00 -0.13 0.00 0.00 32.58 32.61 2jsn s HIS 33 CO 0.09 -0.25 0.87 -3.47 -2.47 0.00 0.00 174.74 169.51 2jsn n ASP 34 N 3.36 -3.96 0.00 9.88 2.03 -1.26 -0.80 116.55 125.81 2jsn n ASP 34 Ca -0.17 -0.92 0.00 0.00 0.52 0.00 0.00 54.79 54.22 2jsn n ASP 34 Cb 0.56 -3.20 0.00 0.00 -0.72 0.00 0.00 41.12 37.77 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 -4.50 -0.09 -2.36 -0.67 1.02 -1.26 -4.97 120.64 107.81 2jsn n GLU 35 Ca 0.07 0.02 -0.17 0.00 -0.02 0.00 0.00 57.16 57.06 2jsn n GLU 35 Cb 0.50 -4.43 0.08 0.00 -0.02 0.00 0.00 31.44 27.57 2jsn n GLU 35 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2jsn n ARG 36 N -1.79 0.34 -5.07 3.49 5.12 0.02 -3.99 116.66 114.78 2jsn n ARG 36 Ca 0.00 -2.32 -0.28 0.00 -1.93 0.00 0.00 57.85 53.32 2jsn n ARG 36 Cb 0.02 -0.37 -0.16 0.00 -1.16 0.00 0.00 32.46 30.79 2jsn n ARG 36 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2jsn s VAL 37 N -2.16 1.71 0.07 1.55 -7.23 -0.93 -0.89 120.40 112.52 2jsn s VAL 37 Ca 0.51 -0.92 0.04 0.00 -1.81 0.00 0.00 61.98 59.79 2jsn s VAL 37 Cb -0.03 -1.42 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 2jsn s VAL 37 CO 0.33 0.48 -0.11 -0.76 -0.31 0.00 0.00 175.10 174.73 2jsn s LEU 38 N -0.50 2.30 -0.41 1.32 1.43 -0.32 -3.35 118.68 119.15 2jsn s LEU 38 Ca 0.08 -0.65 -0.27 0.00 -1.03 0.00 0.00 54.13 52.26 2jsn s LEU 38 Cb -0.08 -0.34 -0.03 0.00 0.03 0.00 0.00 46.19 45.76 2jsn s LEU 38 CO -0.01 -0.17 2.00 -0.69 0.23 0.00 0.00 176.35 177.72 2jsn s VAL 39 N -1.63 3.28 0.16 -1.59 1.01 0.31 -1.17 120.40 120.77 2jsn s VAL 39 Ca -0.03 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.21 2jsn s VAL 39 Cb -0.08 -3.48 -0.15 0.00 0.00 0.00 0.00 36.38 32.67 2jsn s VAL 39 CO 0.01 -0.38 1.37 0.00 0.00 0.00 0.00 175.10 176.10 2jsn h ALA 40 N 15.04 0.51 -2.64 5.51 0.00 -0.77 -0.82 119.26 136.09 2jsn h ALA 40 Ca -0.31 -0.71 -0.07 0.00 0.00 0.00 0.00 54.91 53.82 2jsn h ALA 40 Cb 1.20 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 2jsn h ALA 40 CO 1.09 0.89 -0.19 0.12 0.00 0.00 0.00 179.25 181.15 2jsn s PHE 41 N -3.25 -0.08 0.00 0.00 5.36 -1.00 -4.90 117.98 114.13 2jsn s PHE 41 Ca -0.03 -0.25 0.00 0.00 -0.96 0.00 0.00 56.93 55.69 2jsn s PHE 41 Cb 0.10 0.13 0.00 0.00 -0.34 0.00 0.00 43.02 42.91 2jsn s PHE 41 CO 0.83 -0.62 0.00 0.41 -1.46 0.00 0.00 175.22 174.38 2jsn n GLY 42 N -0.04 0.07 3.09 13.12 0.00 -1.26 -2.93 105.19 117.24 2jsn n GLY 42 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 0.55 0.34 1.61 -0.21 -1.26 -4.97 119.66 115.72 2jsn s GLN 43 Ca 0.00 -0.80 0.04 0.00 0.02 0.00 0.00 55.36 54.61 2jsn s GLN 43 Cb 0.00 0.21 0.65 0.00 1.00 0.00 0.00 33.01 34.87 2jsn s GLN 43 CO 0.00 -0.13 1.95 0.07 -2.12 0.00 0.00 175.29 175.06 2jsn h ARG 44 N 3.73 0.84 -1.86 2.91 0.11 -2.01 -3.41 114.38 114.69 2jsn h ARG 44 Ca -0.33 -0.05 0.07 0.00 0.10 0.00 0.00 59.98 59.77 2jsn h ARG 44 Cb 1.18 -0.19 -0.21 0.00 1.11 0.00 0.00 29.97 31.86 2jsn h ARG 44 CO 0.51 0.56 0.01 0.34 0.10 0.00 0.00 179.97 181.49 2jsn s ASP 45 N -6.16 -0.95 0.00 0.08 2.15 -1.26 -5.16 116.67 105.36 2jsn s ASP 45 Ca -0.10 1.40 0.00 0.00 0.43 0.00 0.00 52.55 54.28 2jsn s ASP 45 Cb 0.19 1.77 0.00 0.00 -0.30 0.00 0.00 42.92 44.58 2jsn s ASP 45 CO 0.78 -0.21 0.00 0.61 -0.17 0.00 0.00 175.17 176.18 2jsn n GLY 46 N 4.78 1.39 0.24 2.66 0.00 -1.26 -5.02 105.19 107.97 2jsn n GLY 46 Ca -0.16 -0.99 0.17 0.00 0.00 0.00 0.00 46.02 45.04 2jsn n GLY 46 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2jsn h ILE 47 N 0.61 0.00 -0.70 -0.61 3.07 -2.01 -2.51 117.51 115.37 2jsn h ILE 47 Ca 0.00 -0.11 -0.02 0.00 1.55 0.00 0.00 64.86 66.28 2jsn h ILE 47 Cb 0.00 0.91 -0.03 0.00 -0.27 0.00 0.00 36.82 37.42 2jsn h ILE 47 CO 0.00 0.00 0.37 -0.09 -1.05 0.00 0.00 178.15 177.38 2jsn h ARG 48 N 0.00 0.97 -7.06 0.16 2.43 -1.95 -3.44 114.38 105.49 2jsn h ARG 48 Ca 0.00 -0.11 -0.50 0.00 -0.81 0.00 0.00 59.98 58.56 2jsn h ARG 48 Cb 0.13 -0.19 0.06 0.00 -0.42 0.00 0.00 29.97 29.55 2jsn h ARG 48 CO 0.00 0.72 0.44 0.08 -1.51 0.00 0.00 179.97 179.70 2jsn s VAL 49 N -5.62 3.23 0.00 0.20 1.01 -0.95 -3.83 120.40 114.44 2jsn s VAL 49 Ca -0.11 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.69 2jsn s VAL 49 Cb 0.17 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2jsn s VAL 49 CO 0.79 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.38 2jsn n GLY 50 N 0.20 0.83 3.77 4.51 0.00 -0.31 -4.99 105.19 109.19 2jsn n GLY 50 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.26 2.66 0.17 1.61 4.02 -1.25 -4.76 115.29 114.48 2jsn s HIS 51 Ca 0.00 1.33 0.04 0.00 1.02 0.00 0.00 55.06 57.45 2jsn s HIS 51 Cb 0.00 -3.07 -0.03 0.00 -1.02 0.00 0.00 32.58 28.45 2jsn s HIS 51 CO 0.00 -1.87 0.27 0.00 1.02 0.00 0.00 174.74 174.16 2jsn s ALA 52 N -3.01 3.88 0.35 -1.40 0.00 0.16 -0.53 121.76 121.22 2jsn s ALA 52 Ca 0.61 -1.12 -0.26 0.00 0.00 0.00 0.00 51.96 51.20 2jsn s ALA 52 Cb -0.16 -1.68 -0.09 0.00 0.00 0.00 0.00 23.12 21.18 2jsn s ALA 52 CO 0.56 0.46 1.00 0.08 0.00 0.00 0.00 175.76 177.87 2jsn s VAL 53 N -1.81 3.93 -0.06 0.00 1.01 -1.21 -0.93 120.40 121.33 2jsn s VAL 53 Ca 0.34 1.58 0.05 0.00 0.00 0.00 0.00 61.98 63.95 2jsn s VAL 53 Cb -0.10 -3.87 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 2jsn s VAL 53 CO 0.28 0.11 0.01 0.18 0.00 0.00 0.00 175.10 175.68 2jsn n LEU 54 N 0.36 0.20 -3.64 3.92 7.99 0.54 -4.84 117.00 121.53 2jsn n LEU 54 Ca 0.03 -0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 55.92 2jsn n LEU 54 Cb 0.49 0.11 -0.05 0.00 -0.11 0.00 0.00 43.42 43.87 2jsn n LEU 54 CO 0.46 0.17 0.15 0.00 -1.51 0.00 0.00 177.39 176.66 2jsn s ALA 55 N -2.14 -0.90 -0.01 -1.18 0.00 -0.62 -0.95 121.76 115.95 2jsn s ALA 55 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.86 2jsn s ALA 55 Cb 0.02 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.83 2jsn s ALA 55 CO 0.23 -0.64 -0.01 0.42 0.00 0.00 0.00 175.76 175.76 2jsn s ILE 56 N -3.81 0.12 -0.96 0.00 1.01 -0.38 -0.82 121.20 116.36 2jsn s ILE 56 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.67 2jsn s ILE 56 Cb 0.02 -0.15 0.00 0.00 0.01 0.00 0.00 42.46 42.34 2jsn s ILE 56 CO -0.12 0.07 0.00 0.59 0.00 0.00 0.00 174.94 175.48 2jsn n ASN 57 N 3.40 -3.53 0.00 3.58 3.02 0.32 -0.53 115.26 121.51 2jsn n ASN 57 Ca -0.17 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 2jsn n ASN 57 Cb 0.56 -3.05 0.00 0.00 -0.61 0.00 0.00 39.78 36.69 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 -0.72 2.63 3.61 7.41 0.00 -1.26 -5.00 105.19 111.86 2jsn n GLY 58 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.06 3.81 0.15 1.61 -1.94 0.31 -5.01 119.30 118.17 2jsn s MET 59 Ca 0.00 0.69 -0.34 0.00 -1.71 0.00 0.00 55.69 54.33 2jsn s MET 59 Cb 0.00 -3.86 -0.15 0.00 2.01 0.00 0.00 34.83 32.84 2jsn s MET 59 CO 0.00 -1.23 1.49 -3.47 -0.01 0.00 0.00 175.02 171.80 2jsn n ASP 60 N 7.51 2.67 -4.67 3.03 -0.08 -1.26 -1.25 116.55 122.50 2jsn n ASP 60 Ca 0.12 1.10 -0.40 0.00 -1.51 0.00 0.00 54.79 54.10 2jsn n ASP 60 Cb 0.48 -1.37 -0.06 0.00 2.34 0.00 0.00 41.12 42.52 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 0.67 5.04 -1.26 5.18 -7.23 -0.13 -2.25 120.40 120.43 2jsn s VAL 61 Ca 0.79 1.17 -0.20 0.00 -1.81 0.00 0.00 61.98 61.93 2jsn s VAL 61 Cb -0.74 -3.94 0.02 0.00 0.56 0.00 0.00 36.38 32.27 2jsn s VAL 61 CO 0.42 0.13 1.80 0.21 -0.31 0.00 0.00 175.10 177.35 2jsn s ASN 62 N 1.15 6.21 0.00 4.85 2.47 0.11 -4.73 114.94 124.99 2jsn s ASN 62 Ca 0.29 -2.16 0.00 0.00 0.42 0.00 0.00 52.86 51.40 2jsn s ASN 62 Cb -0.16 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.06 2jsn s ASN 62 CO 0.11 -1.83 0.00 0.61 -3.72 0.00 0.00 177.10 172.26 2jsn n GLY 63 N 5.56 0.85 0.00 1.21 0.00 -1.26 -1.53 105.19 110.03 2jsn n GLY 63 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -4.40 1.61 1.85 -1.26 -2.18 116.66 112.29 2jsn n ARG 64 Ca 0.00 -0.10 -0.28 0.00 -1.00 0.00 0.00 57.85 56.47 2jsn n ARG 64 Cb 0.00 -0.41 -0.12 0.00 -1.05 0.00 0.00 32.46 30.87 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 0.00 2.32 1.14 2.89 2.02 -0.58 -0.81 117.35 124.33 2jsn s TYR 65 Ca 0.00 -0.37 -0.16 0.00 -0.37 0.00 0.00 57.07 56.17 2jsn s TYR 65 Cb 0.00 -1.21 0.26 0.00 -0.40 0.00 0.00 41.96 40.61 2jsn s TYR 65 CO 0.00 0.41 1.08 0.95 -1.57 0.00 0.00 175.55 176.41 2jsn s THR 66 N -1.32 1.77 0.32 -0.71 -4.23 0.15 0.04 115.64 111.67 2jsn s THR 66 Ca 0.17 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.71 2jsn s THR 66 Cb -0.09 -2.40 0.29 0.00 1.34 0.00 0.00 72.50 71.63 2jsn s THR 66 CO 0.08 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 176.07 2jsn h ALA 67 N -2.41 1.58 -0.30 3.99 0.00 -1.70 -2.08 119.26 118.34 2jsn h ALA 67 Ca -0.51 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.24 2jsn h ALA 67 Cb 1.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2jsn h ALA 67 CO 0.45 0.26 -0.41 0.22 0.00 0.00 0.00 179.25 179.77 2jsn h ASP 68 N 0.94 0.79 0.00 0.00 3.58 -1.92 -3.48 116.42 116.34 2jsn h ASP 68 Ca 0.39 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2jsn h ASP 68 Cb 0.29 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2jsn h ASP 68 CO -0.15 1.10 0.00 0.61 -2.88 0.00 0.00 179.24 177.92 2jsn n GLY 69 N 0.09 0.35 3.71 -0.78 0.00 -0.78 -5.12 105.19 102.65 2jsn n GLY 69 Ca -0.02 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 4.30 0.14 1.61 -0.14 -1.26 -4.54 119.74 119.85 2jsn s LYS 70 Ca 0.00 2.13 -0.31 0.00 -1.36 0.00 0.00 55.97 56.42 2jsn s LYS 70 Cb 0.00 -3.25 -0.09 0.00 -1.68 0.00 0.00 37.83 32.80 2jsn s LYS 70 CO 0.00 -0.48 1.50 -2.00 -0.76 0.00 0.00 175.35 173.62 2jsn s GLU 71 N 1.20 4.25 0.24 1.68 2.12 -1.26 -0.68 118.70 126.25 2jsn s GLU 71 Ca 0.66 2.25 -0.05 0.00 0.36 0.00 0.00 54.97 58.19 2jsn s GLU 71 Cb -0.38 -3.20 0.41 0.00 0.26 0.00 0.00 34.13 31.22 2jsn s GLU 71 CO 0.30 -0.55 1.75 0.28 -0.54 0.00 0.00 175.26 176.50 2jsn h VAL 72 N 4.13 0.73 -0.42 3.70 2.07 -1.32 0.44 116.25 125.58 2jsn h VAL 72 Ca -0.42 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 66.84 2jsn h VAL 72 Cb 1.21 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2jsn h VAL 72 CO 0.90 0.09 -0.07 -0.07 0.02 0.00 0.00 177.57 178.44 2jsn h LEU 73 N 0.50 0.79 -0.40 2.57 3.38 -1.91 -0.56 115.31 119.69 2jsn h LEU 73 Ca 0.39 -0.35 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 2jsn h LEU 73 Cb 0.53 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2jsn h LEU 73 CO -0.35 0.95 -0.28 -0.08 0.09 0.00 0.00 178.44 178.77 2jsn h GLU 74 N 0.62 0.90 -0.63 1.13 4.81 -1.82 -0.92 114.58 118.66 2jsn h GLU 74 Ca 0.11 -0.43 0.01 0.00 -0.13 0.00 0.00 59.36 58.92 2jsn h GLU 74 Cb 0.59 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 2jsn h GLU 74 CO 0.04 1.08 0.42 -0.92 -0.73 0.00 0.00 179.01 178.89 2jsn h TYR 75 N 0.71 0.79 -0.05 0.92 3.20 -0.66 -0.00 116.97 121.88 2jsn h TYR 75 Ca 0.08 0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.75 2jsn h TYR 75 Cb 0.86 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.87 2jsn h TYR 75 CO 0.06 0.49 -0.88 -0.07 -1.64 0.00 0.00 178.16 176.13 2jsn h LEU 76 N 0.85 0.64 -1.31 2.82 3.38 -1.10 -3.26 115.31 117.33 2jsn h LEU 76 Ca 0.23 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 2jsn h LEU 76 Cb -0.09 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2jsn h LEU 76 CO -0.05 1.26 -0.27 1.23 0.09 0.00 0.00 178.44 180.70 2jsn h GLY 77 N 1.02 0.14 -5.94 0.83 0.00 -0.68 -3.41 103.07 95.02 2jsn h GLY 77 Ca -0.07 -0.10 -0.62 0.00 0.00 0.00 0.00 47.33 46.54 2jsn h GLY 77 CO 0.16 0.09 1.14 -2.01 0.00 0.00 0.00 176.54 175.92 2jsn n ASN 78 N -4.18 3.32 0.23 0.19 5.15 -0.06 -4.88 115.26 115.03 2jsn n ASN 78 Ca -0.01 0.89 0.16 0.00 -0.60 0.00 0.00 54.58 55.01 2jsn n ASN 78 Cb 0.35 -1.37 0.72 0.00 -0.53 0.00 0.00 39.78 38.95 2jsn n ASN 78 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2jsn h PRO 79 N 9.74 0.00 0.00 1.20 0.13 -1.91 -0.39 132.00 140.78 2jsn h PRO 79 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2jsn h PRO 79 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2jsn h PRO 79 CO 0.96 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.73 2jsn n ALA 80 N -1.95 1.50 -2.53 -0.56 0.00 -1.26 -3.48 120.51 112.23 2jsn n ALA 80 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.50 2jsn n ALA 80 Cb 0.20 -1.33 0.05 0.00 0.00 0.00 0.00 19.45 18.37 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 -2.11 2.02 0.33 0.00 5.15 -0.16 -4.87 115.26 115.62 2jsn n ASN 81 Ca 0.01 -2.44 -0.16 0.00 -0.60 0.00 0.00 54.58 51.39 2jsn n ASN 81 Cb 0.17 -0.42 -0.08 0.00 -0.53 0.00 0.00 39.78 38.92 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 2.06 -0.77 -3.06 1.20 -1.99 -1.58 -3.43 116.97 109.40 2jsn h TYR 82 Ca -0.06 -0.02 -0.54 0.00 2.00 0.00 0.00 58.73 60.11 2jsn h TYR 82 Cb 1.44 0.26 -0.01 0.00 2.00 0.00 0.00 36.73 40.42 2jsn h TYR 82 CO 0.51 -0.43 0.70 -1.25 -0.00 0.00 0.00 178.16 177.68 2jsn s PRO 83 N -5.29 4.35 0.26 4.88 0.04 -1.26 -3.52 135.00 134.46 2jsn s PRO 83 Ca -0.16 1.81 -0.10 0.00 0.04 0.00 0.00 61.00 62.59 2jsn s PRO 83 Cb 0.02 -3.48 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 2jsn s PRO 83 CO 0.54 -0.43 0.45 0.14 0.04 0.00 0.00 177.00 177.74 2jsn s VAL 84 N 1.85 0.00 -0.02 -0.36 -7.23 -0.27 -5.00 120.40 109.37 2jsn s VAL 84 Ca 0.60 -1.48 0.06 0.00 -1.81 0.00 0.00 61.98 59.34 2jsn s VAL 84 Cb -0.29 -2.32 -0.01 0.00 0.56 0.00 0.00 36.38 34.32 2jsn s VAL 84 CO 0.26 0.00 -0.18 -0.44 -0.31 0.00 0.00 175.10 174.43 2jsn s SER 85 N -3.06 2.16 -0.00 4.85 0.01 -1.26 -0.68 113.70 115.71 2jsn s SER 85 Ca 0.25 -0.34 0.02 0.00 1.31 0.00 0.00 55.95 57.19 2jsn s SER 85 Cb 0.00 -0.28 -0.00 0.00 0.21 0.00 0.00 66.02 65.95 2jsn s SER 85 CO 0.11 0.22 -0.05 -0.63 0.41 0.00 0.00 173.24 173.30 2jsn s ILE 86 N -0.39 0.38 -0.09 1.44 1.01 -0.40 -0.52 121.20 122.64 2jsn s ILE 86 Ca 0.06 -0.22 0.04 0.00 0.00 0.00 0.00 60.65 60.53 2jsn s ILE 86 Cb -0.08 -0.33 -0.01 0.00 0.01 0.00 0.00 42.46 42.06 2jsn s ILE 86 CO -0.00 0.10 -0.22 -0.60 0.00 0.00 0.00 174.94 174.22 2jsn s ARG 87 N -0.14 2.92 0.11 2.79 3.52 -0.00 -1.67 118.95 126.47 2jsn s ARG 87 Ca 0.02 -0.84 -0.03 0.00 -0.13 0.00 0.00 55.73 54.75 2jsn s ARG 87 Cb -0.02 -2.32 -0.03 0.00 -1.56 0.00 0.00 34.95 31.02 2jsn s ARG 87 CO -0.00 0.28 0.08 -0.59 -0.81 0.00 0.00 175.30 174.25 2jsn s PHE 88 N 0.11 0.64 -3.17 5.12 -0.71 -0.24 -0.33 117.98 119.40 2jsn s PHE 88 Ca -0.11 -1.07 0.00 0.00 -1.04 0.00 0.00 56.93 54.72 2jsn s PHE 88 Cb -0.16 -0.36 0.00 0.00 -1.21 0.00 0.00 43.02 41.29 2jsn s PHE 88 CO 0.06 -0.51 0.00 0.41 -1.34 0.00 0.00 175.22 173.84 2jsn n GLY 89 N -0.05 -0.96 3.77 1.99 0.00 -0.11 -1.35 105.19 108.48 2jsn n GLY 89 Ca -0.09 -1.00 -0.39 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 -1.27 4.04 0.89 1.61 3.00 -1.26 -0.66 118.95 125.30 2jsn s ARG 90 Ca 0.00 2.02 -0.10 0.00 0.00 0.00 0.00 55.73 57.65 2jsn s ARG 90 Cb 0.00 -2.75 0.13 0.00 0.00 0.00 0.00 34.95 32.33 2jsn s ARG 90 CO 0.00 -0.39 1.13 -1.25 0.00 0.00 0.00 175.30 174.79 2jsn s PRO 91 N -2.21 1.20 0.09 3.54 0.04 -1.26 -4.84 135.00 131.56 2jsn s PRO 91 Ca 0.56 1.40 0.06 0.00 0.04 0.00 0.00 61.00 63.05 2jsn s PRO 91 Cb -0.35 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 2jsn s PRO 91 CO 0.45 -2.45 -0.15 1.03 0.04 0.00 0.00 177.00 175.92 2jsn s ARG 92 N -4.71 0.91 0.49 4.56 3.00 -1.26 -5.09 118.95 116.85 2jsn s ARG 92 Ca 0.65 -1.07 -0.24 0.00 0.00 0.00 0.00 55.73 55.08 2jsn s ARG 92 Cb -0.21 -0.89 -0.07 0.00 0.00 0.00 0.00 34.95 33.78 2jsn s ARG 92 CO 0.58 0.19 1.38 -1.17 0.00 0.00 0.00 175.30 176.27 2jsn s LEU 93 N -2.00 4.01 0.21 2.53 2.96 -1.26 -4.98 118.68 120.15 2jsn s LEU 93 Ca 0.02 2.80 -0.19 0.00 -0.22 0.00 0.00 54.13 56.55 2jsn s LEU 93 Cb -0.08 -4.09 0.03 0.00 0.50 0.00 0.00 46.19 42.55 2jsn s LEU 93 CO 0.03 -1.30 0.58 0.42 -1.32 0.00 0.00 176.35 174.75 2jsn s THR 94 N -1.27 0.01 0.27 3.68 -4.23 -1.26 -5.06 115.64 107.79 2jsn s THR 94 Ca 0.65 -0.77 -0.03 0.00 -1.18 0.00 0.00 61.69 60.36 2jsn s THR 94 Cb -0.41 -1.65 0.20 0.00 1.34 0.00 0.00 72.50 71.98 2jsn s THR 94 CO 0.51 -0.06 1.87 0.28 -0.54 0.00 0.00 174.62 176.68 2jsn h SER 95 N 2.13 0.91 -0.01 3.99 0.02 -1.96 -3.48 113.55 115.16 2jsn h SER 95 Ca -0.27 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2jsn h SER 95 Cb 1.26 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2jsn h SER 95 CO 0.34 0.78 0.00 -3.20 -1.14 0.00 0.00 176.83 173.60