#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5h n ALA 2 N 0.00 0.00 1.50 0.00 0.00 -1.26 -4.93 120.51 115.83 1j5h n ALA 2 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1j5h n ALA 2 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 1j5h n ALA 2 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1j5h n PRO 3 N 0.00 0.75 0.00 0.00 -0.04 -1.24 -2.86 135.00 131.61 1j5h n PRO 3 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1j5h n PRO 3 Cb 0.00 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1j5h n PRO 3 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1j5h n THR 4 N -0.68 0.00 -3.46 0.52 5.66 0.23 -4.70 114.28 111.85 1j5h n THR 4 Ca 0.06 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.85 1j5h n THR 4 Cb 0.03 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 68.80 1j5h n THR 4 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1j5h s ALA 5 N -2.00 4.32 0.07 1.79 0.00 -1.25 0.58 121.76 125.26 1j5h s ALA 5 Ca 0.00 -1.77 -0.17 0.00 0.00 0.00 0.00 51.96 50.02 1j5h s ALA 5 Cb 0.00 -1.11 0.03 0.00 0.00 0.00 0.00 23.12 22.04 1j5h s ALA 5 CO 0.00 -0.39 0.40 0.95 0.00 0.00 0.00 175.76 176.72 1j5h s THR 6 N -2.55 0.06 -0.07 0.00 -4.23 0.47 -4.61 115.64 104.71 1j5h s THR 6 Ca 0.48 -0.52 -0.16 0.00 -1.18 0.00 0.00 61.69 60.32 1j5h s THR 6 Cb -0.04 -1.02 -0.05 0.00 1.34 0.00 0.00 72.50 72.72 1j5h s THR 6 CO 0.29 -0.29 0.41 -0.69 -0.54 0.00 0.00 174.62 173.81 1j5h s VAL 7 N -2.90 5.13 0.15 2.29 1.01 -1.26 -1.82 120.40 123.00 1j5h s VAL 7 Ca -0.03 0.83 -0.22 0.00 0.00 0.00 0.00 61.98 62.56 1j5h s VAL 7 Cb 0.00 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.66 1j5h s VAL 7 CO -0.05 0.46 1.28 0.41 0.00 0.00 0.00 175.10 177.20 1j5h n THR 8 N 2.72 -0.53 -0.63 3.92 -1.04 -0.65 -4.45 114.28 113.62 1j5h n THR 8 Ca -0.11 1.98 0.00 0.00 -2.04 0.00 0.00 64.05 63.88 1j5h n THR 8 Cb 0.52 -2.50 0.00 0.00 -1.82 0.00 0.00 70.33 66.53 1j5h n THR 8 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1j5h n PRO 9 N -5.09 -0.27 -0.48 -2.82 -0.04 -1.26 -5.04 135.00 120.01 1j5h n PRO 9 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1j5h n PRO 9 Cb 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.71 1j5h n PRO 9 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j5h n SER 10 N -2.54 0.00 -2.66 3.54 2.88 -1.26 -4.97 113.62 108.61 1j5h n SER 10 Ca 0.00 -1.28 -0.04 0.00 -1.33 0.00 0.00 58.87 56.22 1j5h n SER 10 Cb 0.00 -0.06 0.10 0.00 -0.75 0.00 0.00 64.21 63.50 1j5h n SER 10 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1j5h n SER 11 N 0.00 -1.20 -0.15 -3.46 3.41 -1.26 -1.85 113.62 109.11 1j5h n SER 11 Ca 0.00 -1.74 0.28 0.00 -0.26 0.00 0.00 58.87 57.15 1j5h n SER 11 Cb 0.56 0.89 0.72 0.00 -0.26 0.00 0.00 64.21 66.11 1j5h n SER 11 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1j5h h GLY 12 N 2.62 0.00 -1.73 5.00 0.00 -1.83 -3.44 103.07 103.69 1j5h h GLY 12 Ca -0.28 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.90 1j5h h GLY 12 CO -0.11 0.00 -0.13 1.04 0.00 0.00 0.00 176.54 177.34 1j5h n LEU 13 N -4.01 -0.51 -3.64 3.11 4.77 -0.37 -4.83 117.00 111.51 1j5h n LEU 13 Ca 0.18 0.18 -0.23 0.00 -0.03 0.00 0.00 56.01 56.10 1j5h n LEU 13 Cb 1.00 -1.30 -0.17 0.00 -2.33 0.00 0.00 43.42 40.62 1j5h n LEU 13 CO 0.35 -0.36 -0.34 -0.55 -1.33 0.00 0.00 177.39 175.17 1j5h s SER 14 N -1.60 1.79 -0.63 -1.43 0.15 -1.26 -4.65 113.70 106.07 1j5h s SER 14 Ca 0.00 -0.29 -0.26 0.00 0.70 0.00 0.00 55.95 56.10 1j5h s SER 14 Cb 0.00 -0.20 -0.10 0.00 -1.71 0.00 0.00 66.02 64.01 1j5h s SER 14 CO 0.00 -0.30 2.39 1.51 1.20 0.00 0.00 173.24 178.04 1j5h s ASP 15 N 2.15 4.22 0.00 5.45 -4.77 -1.26 -0.56 116.67 121.90 1j5h s ASP 15 Ca 0.03 0.59 0.00 0.00 -3.30 0.00 0.00 52.55 49.87 1j5h s ASP 15 Cb -0.14 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.16 1j5h s ASP 15 CO -0.06 -3.31 0.00 0.61 0.70 0.00 0.00 175.17 173.11 1j5h n GLY 16 N 6.36 1.88 3.55 2.12 0.00 -1.16 -4.56 105.19 113.39 1j5h n GLY 16 Ca 0.41 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.04 1j5h n GLY 16 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j5h s THR 17 N -2.00 3.56 -0.38 2.61 -1.32 0.28 -4.70 115.64 113.69 1j5h s THR 17 Ca 0.00 0.14 -0.26 0.00 -1.21 0.00 0.00 61.69 60.36 1j5h s THR 17 Cb 0.00 -4.45 0.02 0.00 -1.51 0.00 0.00 72.50 66.56 1j5h s THR 17 CO 0.00 -1.39 0.96 -0.69 -2.21 0.00 0.00 174.62 171.29 1j5h s VAL 18 N 7.45 4.54 0.30 5.08 1.01 -1.26 -1.62 120.40 135.89 1j5h s VAL 18 Ca 0.52 1.24 0.03 0.00 0.00 0.00 0.00 61.98 63.77 1j5h s VAL 18 Cb -0.09 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 1j5h s VAL 18 CO 0.13 -0.59 0.16 0.68 0.00 0.00 0.00 175.10 175.49 1j5h s VAL 19 N 3.60 0.29 0.63 2.92 -7.23 -0.42 -4.94 120.40 115.25 1j5h s VAL 19 Ca 0.40 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.40 1j5h s VAL 19 Cb -0.11 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 1j5h s VAL 19 CO 0.20 0.00 1.14 -0.54 -0.31 0.00 0.00 175.10 175.58 1j5h s LYS 20 N -3.83 2.88 -0.06 4.82 1.02 -1.26 -0.47 119.74 122.84 1j5h s LYS 20 Ca 0.36 1.53 -0.15 0.00 0.02 0.00 0.00 55.97 57.74 1j5h s LYS 20 Cb 0.05 -1.95 0.03 0.00 -0.52 0.00 0.00 37.83 35.44 1j5h s LYS 20 CO 0.18 -1.21 0.34 0.08 -0.92 0.00 0.00 175.35 173.81 1j5h s VAL 21 N -2.08 0.04 0.07 3.17 1.01 0.31 -1.64 120.40 121.27 1j5h s VAL 21 Ca 0.70 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.32 1j5h s VAL 21 Cb -0.23 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 1j5h s VAL 21 CO 0.37 -0.16 0.14 0.00 0.00 0.00 0.00 175.10 175.45 1j5h s ALA 22 N -0.80 -0.10 0.00 5.51 0.00 -0.75 0.03 121.76 125.65 1j5h s ALA 22 Ca -0.09 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1j5h s ALA 22 Cb -0.04 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.46 1j5h s ALA 22 CO 0.03 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.77 1j5h n GLY 23 N 0.23 -3.22 0.00 0.00 0.00 0.10 -0.39 105.19 101.90 1j5h n GLY 23 Ca -0.16 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1j5h n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j5h n ALA 24 N 0.44 0.00 0.63 4.61 0.00 0.19 -1.52 120.51 124.87 1j5h n ALA 24 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1j5h n ALA 24 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.75 1j5h n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5h n GLY 25 N 0.00 -0.36 3.51 0.00 0.00 -1.25 0.74 105.19 107.83 1j5h n GLY 25 Ca 0.00 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 1j5h n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j5h n LEU 26 N -1.03 -3.59 0.00 0.99 7.94 -1.09 -4.82 117.00 115.40 1j5h n LEU 26 Ca 0.07 -0.51 0.00 0.00 -1.11 0.00 0.00 56.01 54.46 1j5h n LEU 26 Cb 0.04 -2.15 0.00 0.00 0.53 0.00 0.00 43.42 41.84 1j5h n LEU 26 CO 0.06 -0.24 0.00 1.67 -1.11 0.00 0.00 177.39 177.77 1j5h n GLN 27 N -1.84 0.00 0.00 1.96 -0.06 0.06 -4.69 117.38 112.81 1j5h n GLN 27 Ca -0.17 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.83 1j5h n GLN 27 Cb 0.63 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.81 1j5h n GLN 27 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j5h n ALA 28 N -3.00 0.00 -0.54 1.69 0.00 -1.25 -4.04 120.51 113.37 1j5h n ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j5h n ALA 28 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1j5h n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5h n GLY 29 N 0.00 0.36 3.49 0.00 0.00 -1.26 -4.80 105.19 102.98 1j5h n GLY 29 Ca 0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 1j5h n GLY 29 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j5h s THR 30 N -1.81 0.03 0.69 2.61 -1.32 -1.26 -4.94 115.64 109.63 1j5h s THR 30 Ca 0.00 -0.62 -0.15 0.00 -1.21 0.00 0.00 61.69 59.71 1j5h s THR 30 Cb 0.00 -1.43 0.02 0.00 -1.51 0.00 0.00 72.50 69.57 1j5h s THR 30 CO 0.00 -0.12 1.17 0.00 -2.21 0.00 0.00 174.62 173.47 1j5h s ALA 31 N -3.84 2.28 -0.45 11.08 0.00 -1.26 -0.88 121.76 128.68 1j5h s ALA 31 Ca 0.07 0.78 0.06 0.00 0.00 0.00 0.00 51.96 52.87 1j5h s ALA 31 Cb -0.01 -3.42 0.19 0.00 0.00 0.00 0.00 23.12 19.89 1j5h s ALA 31 CO -0.05 -1.59 0.54 0.66 0.00 0.00 0.00 175.76 175.32 1j5h n TYR 32 N -2.48 -2.11 -1.67 0.00 4.01 0.16 -4.76 117.16 110.31 1j5h n TYR 32 Ca 0.12 -2.51 -0.44 0.00 -0.16 0.00 0.00 57.90 54.91 1j5h n TYR 32 Cb 0.51 0.74 -0.04 0.00 -0.31 0.00 0.00 39.34 40.24 1j5h n TYR 32 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1j5h n ASP 33 N 2.62 3.89 -4.54 7.72 8.00 0.31 -1.72 116.55 132.84 1j5h n ASP 33 Ca 0.23 0.91 -0.32 0.00 0.71 0.00 0.00 54.79 56.33 1j5h n ASP 33 Cb 0.53 -1.47 0.16 0.00 -0.02 0.00 0.00 41.12 40.31 1j5h n ASP 33 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1j5h n VAL 34 N 5.45 0.00 -3.79 2.53 0.31 0.19 0.11 118.33 123.13 1j5h n VAL 34 Ca 0.21 -0.12 -0.11 0.00 -0.01 0.00 0.00 64.34 64.32 1j5h n VAL 34 Cb 0.37 -0.83 -0.07 0.00 -0.91 0.00 0.00 33.84 32.39 1j5h n VAL 34 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1j5h s GLY 35 N -2.34 -0.05 -0.16 2.92 0.00 0.13 -4.52 107.32 103.30 1j5h s GLY 35 Ca 0.62 -0.20 -0.06 0.00 0.00 0.00 0.00 44.72 45.09 1j5h s GLY 35 CO 0.63 -0.40 0.33 1.20 0.00 0.00 0.00 173.10 174.85 1j5h s GLN 36 N -2.94 0.22 0.34 2.90 -0.21 -1.26 -1.52 119.66 117.20 1j5h s GLN 36 Ca -0.02 0.86 0.03 0.00 0.02 0.00 0.00 55.36 56.25 1j5h s GLN 36 Cb 0.01 0.11 -0.05 0.00 1.00 0.00 0.00 33.01 34.08 1j5h s GLN 36 CO -0.06 -0.26 0.09 0.00 -2.12 0.00 0.00 175.29 172.94 1j5h s ALA 38 N -3.35 0.30 0.19 0.00 0.00 0.18 0.42 121.76 119.50 1j5h s ALA 38 Ca 0.32 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 51.10 1j5h s ALA 38 Cb 0.06 0.21 -0.08 0.00 0.00 0.00 0.00 23.12 23.32 1j5h s ALA 38 CO 0.15 -0.26 0.96 -1.58 0.00 0.00 0.00 175.76 175.03 1j5h s TRP 39 N -2.65 3.88 0.00 0.00 0.51 -1.23 0.11 118.94 119.56 1j5h s TRP 39 Ca -0.05 1.85 0.00 0.00 -2.12 0.00 0.00 56.10 55.78 1j5h s TRP 39 Cb -0.01 -3.04 0.00 0.00 -0.81 0.00 0.00 33.47 29.61 1j5h s TRP 39 CO -0.05 0.26 0.00 0.28 -0.51 0.00 0.00 176.95 176.93 1j5h n VAL 40 N 2.05 0.00 -3.63 4.03 0.31 -0.21 -4.73 118.33 116.14 1j5h n VAL 40 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 1j5h n VAL 40 Cb 0.48 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.34 1j5h n VAL 40 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1j5h s ASP 41 N -0.05 -0.68 -0.20 4.52 1.01 -1.21 -4.97 116.67 115.10 1j5h s ASP 41 Ca 0.00 1.07 -0.01 0.00 0.71 0.00 0.00 52.55 54.32 1j5h s ASP 41 Cb 0.00 1.33 0.00 0.00 1.01 0.00 0.00 42.92 45.26 1j5h s ASP 41 CO 0.00 -0.17 0.02 0.41 0.21 0.00 0.00 175.17 175.64 1j5h n THR 42 N 4.04 -8.91 -3.28 -1.27 -1.04 -1.26 -3.78 114.28 98.78 1j5h n THR 42 Ca -0.18 1.32 -0.21 0.00 -2.04 0.00 0.00 64.05 62.94 1j5h n THR 42 Cb 0.57 -5.95 -0.05 0.00 -1.82 0.00 0.00 70.33 63.09 1j5h n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j5h n GLY 43 N 0.55 -0.16 3.09 3.41 0.00 -1.26 -4.85 105.19 105.97 1j5h n GLY 43 Ca -0.03 0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 1j5h n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j5h s VAL 44 N -2.77 1.30 -0.05 1.61 1.01 -1.25 -5.09 120.40 115.16 1j5h s VAL 44 Ca 0.30 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1j5h s VAL 44 Cb -0.17 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.08 1j5h s VAL 44 CO 0.56 0.39 -0.04 -0.22 0.00 0.00 0.00 175.10 175.78 1j5h s LEU 45 N 0.29 1.16 -0.87 3.92 2.96 -1.22 -1.05 118.68 123.87 1j5h s LEU 45 Ca -0.09 -0.13 -0.21 0.00 -0.22 0.00 0.00 54.13 53.48 1j5h s LEU 45 Cb -0.13 -0.48 0.09 0.00 0.50 0.00 0.00 46.19 46.17 1j5h s LEU 45 CO 0.03 -0.09 1.17 0.00 -1.32 0.00 0.00 176.35 176.14 1j5h s ALA 46 N 1.20 3.11 0.39 5.97 0.00 0.31 -3.99 121.76 128.75 1j5h s ALA 46 Ca -0.07 -2.31 -0.23 0.00 0.00 0.00 0.00 51.96 49.35 1j5h s ALA 46 Cb -0.14 -4.13 -0.10 0.00 0.00 0.00 0.00 23.12 18.75 1j5h s ALA 46 CO -0.02 -3.10 0.95 0.00 0.00 0.00 0.00 175.76 173.60 1j5h s ASN 48 N -1.96 5.18 0.00 0.00 3.84 0.31 -0.52 114.94 121.80 1j5h s ASN 48 Ca 0.58 -2.46 0.00 0.00 0.21 0.00 0.00 52.86 51.18 1j5h s ASN 48 Cb -0.13 -1.83 0.00 0.00 -0.55 0.00 0.00 41.25 38.75 1j5h s ASN 48 CO 0.17 -0.44 1.12 -0.81 -2.79 0.00 0.00 177.10 174.35 1j5h n PRO 49 N 4.00 0.75 0.00 0.43 -0.04 -1.26 -2.28 135.00 136.60 1j5h n PRO 49 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1j5h n PRO 49 Cb 0.39 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 1j5h n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j5h n ALA 50 N 1.11 1.93 -0.32 0.55 0.00 -1.26 -4.75 120.51 117.77 1j5h n ALA 50 Ca 0.00 -0.39 0.26 0.00 0.00 0.00 0.00 53.44 53.31 1j5h n ALA 50 Cb 0.38 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.30 1j5h n ALA 50 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1j5h n ASP 51 N -0.00 0.19 0.00 0.00 5.75 -0.96 -4.62 116.55 116.90 1j5h n ASP 51 Ca 0.00 1.64 0.00 0.00 -0.01 0.00 0.00 54.79 56.42 1j5h n ASP 51 Cb 0.06 -0.73 0.00 0.00 -1.03 0.00 0.00 41.12 39.42 1j5h n ASP 51 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1j5h n PHE 52 N -5.30 0.00 -0.76 2.11 3.72 -1.26 -4.85 117.46 111.12 1j5h n PHE 52 Ca 0.32 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.48 1j5h n PHE 52 Cb 1.09 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.63 1j5h n PHE 52 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1j5h n SER 53 N 0.55 -1.61 -3.65 4.37 7.64 -1.26 -4.60 113.62 115.06 1j5h n SER 53 Ca 0.00 0.49 -0.13 0.00 1.01 0.00 0.00 58.87 60.24 1j5h n SER 53 Cb 0.00 -0.52 -0.08 0.00 -1.01 0.00 0.00 64.21 62.61 1j5h n SER 53 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1j5h s SER 54 N -0.58 -0.70 0.00 6.43 1.04 -1.26 0.55 113.70 119.17 1j5h s SER 54 Ca 0.35 1.34 0.00 0.00 0.48 0.00 0.00 55.95 58.11 1j5h s SER 54 Cb -0.39 1.34 0.00 0.00 0.10 0.00 0.00 66.02 67.07 1j5h s SER 54 CO 0.36 -0.23 0.00 0.55 0.98 0.00 0.00 173.24 174.90 1j5h n VAL 55 N 2.88 0.00 -3.86 5.02 3.14 -0.70 -4.84 118.33 119.97 1j5h n VAL 55 Ca -0.15 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.15 1j5h n VAL 55 Cb 0.56 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.27 1j5h n VAL 55 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1j5h s THR 56 N -0.44 0.13 1.22 1.55 2.01 -1.26 0.35 115.64 119.20 1j5h s THR 56 Ca 0.00 -1.17 -0.20 0.00 0.31 0.00 0.00 61.69 60.62 1j5h s THR 56 Cb 0.00 -1.41 0.30 0.00 0.01 0.00 0.00 72.50 71.40 1j5h s THR 56 CO 0.00 -0.57 1.07 0.00 -0.69 0.00 0.00 174.62 174.42 1j5h n ALA 57 N -0.10 -3.44 -3.43 7.40 0.00 -0.06 -3.81 120.51 117.07 1j5h n ALA 57 Ca -0.14 -1.60 -0.17 0.00 0.00 0.00 0.00 53.44 51.54 1j5h n ALA 57 Cb 0.63 -0.11 -0.16 0.00 0.00 0.00 0.00 19.45 19.81 1j5h n ALA 57 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1j5h s ASP 58 N -4.35 0.47 0.00 0.00 1.47 0.51 -4.72 116.67 110.04 1j5h s ASP 58 Ca 0.70 -0.05 0.00 0.00 1.18 0.00 0.00 52.55 54.38 1j5h s ASP 58 Cb -0.07 -0.19 0.00 0.00 -0.34 0.00 0.00 42.92 42.32 1j5h s ASP 58 CO 0.54 -0.05 0.00 0.00 0.68 0.00 0.00 175.17 176.33 1j5h n ALA 59 N 3.78 0.00 0.00 2.11 0.00 -1.26 -0.02 120.51 125.12 1j5h n ALA 59 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1j5h n ALA 59 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1j5h n ALA 59 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1j5h n ASN 60 N 0.00 0.00 0.00 0.00 5.15 -1.26 -4.87 115.26 114.28 1j5h n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1j5h n ASN 60 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1j5h n ASN 60 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1j5h n GLY 61 N 0.00 1.28 3.74 8.20 0.00 0.98 -3.85 105.19 115.54 1j5h n GLY 61 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1j5h n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j5h s SER 62 N -1.67 7.41 0.55 1.61 0.15 -1.21 -0.76 113.70 119.77 1j5h s SER 62 Ca 0.00 2.04 -0.09 0.00 0.70 0.00 0.00 55.95 58.60 1j5h s SER 62 Cb 0.00 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 1j5h s SER 62 CO 0.00 -0.08 0.92 0.00 1.20 0.00 0.00 173.24 175.28 1j5h s ALA 63 N -0.64 3.23 -0.30 5.45 0.00 -0.57 0.19 121.76 129.12 1j5h s ALA 63 Ca 0.46 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1j5h s ALA 63 Cb -0.28 -2.87 0.19 0.00 0.00 0.00 0.00 23.12 20.16 1j5h s ALA 63 CO 0.35 -0.48 0.60 -1.54 0.00 0.00 0.00 175.76 174.69 1j5h s SER 64 N -3.99 -1.43 -0.14 0.00 1.04 -1.25 0.02 113.70 107.95 1j5h s SER 64 Ca 0.52 0.73 -0.34 0.00 0.48 0.00 0.00 55.95 57.34 1j5h s SER 64 Cb -0.11 2.13 0.15 0.00 0.10 0.00 0.00 66.02 68.30 1j5h s SER 64 CO 0.47 -0.27 1.43 0.28 0.98 0.00 0.00 173.24 176.14 1j5h s THR 65 N 2.86 0.00 -0.33 2.02 -1.32 0.10 -4.85 115.64 114.12 1j5h s THR 65 Ca 0.19 -0.01 -0.20 0.00 -1.21 0.00 0.00 61.69 60.46 1j5h s THR 65 Cb -0.14 -1.76 -0.00 0.00 -1.51 0.00 0.00 72.50 69.09 1j5h s THR 65 CO -0.22 0.00 0.62 -0.94 -2.21 0.00 0.00 174.62 171.87 1j5h s SER 66 N -2.76 6.45 0.24 8.08 1.04 -1.26 0.12 113.70 125.61 1j5h s SER 66 Ca 0.14 0.28 0.05 0.00 0.48 0.00 0.00 55.95 56.90 1j5h s SER 66 Cb 0.06 -2.32 -0.03 0.00 0.10 0.00 0.00 66.02 63.82 1j5h s SER 66 CO -0.06 -0.52 0.33 -0.76 0.98 0.00 0.00 173.24 173.21 1j5h s LEU 67 N 2.63 4.23 -0.75 2.42 1.43 0.38 -4.81 118.68 124.20 1j5h s LEU 67 Ca 0.24 0.01 -0.13 0.00 -1.03 0.00 0.00 54.13 53.22 1j5h s LEU 67 Cb -0.15 -2.76 0.19 0.00 0.03 0.00 0.00 46.19 43.50 1j5h s LEU 67 CO 0.13 -0.06 0.68 0.28 0.23 0.00 0.00 176.35 177.61 1j5h s THR 68 N -2.00 5.36 -0.67 5.49 -1.32 -1.26 -1.30 115.64 119.93 1j5h s THR 68 Ca 0.34 -2.30 -0.19 0.00 -1.21 0.00 0.00 61.69 58.33 1j5h s THR 68 Cb -0.09 -4.35 -0.15 0.00 -1.51 0.00 0.00 72.50 66.40 1j5h s THR 68 CO 0.28 -0.98 1.88 0.52 -2.21 0.00 0.00 174.62 174.11 1j5h n VAL 69 N 4.21 1.65 -2.04 5.08 0.31 -0.64 -4.79 118.33 122.11 1j5h n VAL 69 Ca 0.07 -1.30 -0.40 0.00 -0.01 0.00 0.00 64.34 62.71 1j5h n VAL 69 Cb 0.45 -2.20 -0.01 0.00 -0.91 0.00 0.00 33.84 31.17 1j5h n VAL 69 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1j5h s ARG 70 N 4.90 4.08 -0.03 5.55 0.52 -1.26 -2.98 118.95 129.73 1j5h s ARG 70 Ca 0.52 2.21 -0.02 0.00 -0.52 0.00 0.00 55.73 57.92 1j5h s ARG 70 Cb 0.13 -2.86 -0.01 0.00 0.52 0.00 0.00 34.95 32.74 1j5h s ARG 70 CO 0.11 -0.42 -0.04 -2.13 0.02 0.00 0.00 175.30 172.84 1j5h n ARG 71 N 0.33 0.09 -1.75 3.54 0.00 -1.26 -4.65 116.66 112.95 1j5h n ARG 71 Ca 0.02 0.24 -0.39 0.00 -0.00 0.00 0.00 57.85 57.73 1j5h n ARG 71 Cb 0.43 -0.87 -0.03 0.00 0.00 0.00 0.00 32.46 31.99 1j5h n ARG 71 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1j5h s SER 72 N -4.02 5.03 0.08 6.15 0.15 -1.26 -1.83 113.70 118.01 1j5h s SER 72 Ca -0.03 1.07 -0.00 0.00 0.70 0.00 0.00 55.95 57.69 1j5h s SER 72 Cb 0.00 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.76 1j5h s SER 72 CO 0.05 -2.43 -0.01 -0.36 1.20 0.00 0.00 173.24 171.69 1j5h s PHE 73 N 9.98 0.70 -1.00 3.44 0.40 -0.69 -4.87 117.98 125.93 1j5h s PHE 73 Ca 0.88 -1.08 -0.04 0.00 -0.60 0.00 0.00 56.93 56.09 1j5h s PHE 73 Cb -0.20 -0.45 0.27 0.00 0.51 0.00 0.00 43.02 43.16 1j5h s PHE 73 CO 0.27 -0.36 1.10 -0.85 0.70 0.00 0.00 175.22 176.08 1j5h n GLU 74 N 0.02 3.47 -2.52 0.44 0.00 -1.26 0.14 120.64 120.93 1j5h n GLU 74 Ca -0.11 -4.52 -0.36 0.00 0.00 0.00 0.00 57.16 52.17 1j5h n GLU 74 Cb 0.62 -2.47 -0.03 0.00 0.00 0.00 0.00 31.44 29.55 1j5h n GLU 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1j5h s GLY 75 N -0.39 2.65 -0.12 -1.84 0.00 -1.26 -4.54 107.32 101.83 1j5h s GLY 75 Ca 0.31 0.69 0.01 0.00 0.00 0.00 0.00 44.72 45.73 1j5h s GLY 75 CO -0.03 1.08 -0.17 -0.11 0.00 0.00 0.00 173.10 173.87 1j5h s PHE 76 N -1.77 2.73 0.06 1.90 -0.12 0.32 0.17 117.98 121.26 1j5h s PHE 76 Ca 0.62 -0.78 -0.11 0.00 -0.05 0.00 0.00 56.93 56.61 1j5h s PHE 76 Cb -0.20 -1.80 -0.02 0.00 -0.63 0.00 0.00 43.02 40.36 1j5h s PHE 76 CO 0.25 -0.28 1.19 -0.07 -0.05 0.00 0.00 175.22 176.26 1j5h h LEU 77 N 6.70 -0.75 0.00 -1.99 4.07 -1.00 -1.86 115.31 120.48 1j5h h LEU 77 Ca -0.23 0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.84 1j5h h LEU 77 Cb 1.22 0.33 0.00 0.00 1.08 0.00 0.00 40.66 43.29 1j5h h LEU 77 CO 0.53 -0.08 0.00 0.49 -1.08 0.00 0.00 178.44 178.30 1j5h n PHE 78 N -3.78 0.00 0.00 1.13 3.01 -1.26 -3.44 117.46 113.12 1j5h n PHE 78 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1j5h n PHE 78 Cb 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 1j5h n PHE 78 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1j5h n ASP 79 N 0.00 0.00 0.00 4.37 4.64 -1.26 -5.02 116.55 119.28 1j5h n ASP 79 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 1j5h n ASP 79 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 1j5h n ASP 79 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1j5h n GLY 80 N 0.00 -0.24 3.76 0.27 0.00 -1.26 -5.16 105.19 102.56 1j5h n GLY 80 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 1j5h n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5h s THR 81 N -1.54 0.00 -0.11 2.61 2.01 -1.26 -5.07 115.64 112.27 1j5h s THR 81 Ca 0.00 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 1j5h s THR 81 Cb 0.00 -1.85 0.03 0.00 0.01 0.00 0.00 72.50 70.69 1j5h s THR 81 CO 0.00 0.00 -0.06 -0.60 -0.69 0.00 0.00 174.62 173.27 1j5h s ARG 82 N -3.62 1.33 0.00 4.92 3.52 -1.26 -0.62 118.95 123.21 1j5h s ARG 82 Ca 0.10 -0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.50 1j5h s ARG 82 Cb -0.04 -1.51 0.00 0.00 -1.56 0.00 0.00 34.95 31.84 1j5h s ARG 82 CO 0.03 -0.29 0.11 0.91 -0.81 0.00 0.00 175.30 175.24 1j5h n TRP 83 N 4.98 0.00 0.00 5.12 7.02 0.13 -4.96 117.44 129.72 1j5h n TRP 83 Ca -0.11 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.37 1j5h n TRP 83 Cb 0.50 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.39 1j5h n TRP 83 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1j5h n GLY 84 N -0.17 1.79 3.05 6.99 0.00 -1.23 -4.82 105.19 110.80 1j5h n GLY 84 Ca 0.00 -1.43 -0.16 0.00 0.00 0.00 0.00 46.02 44.42 1j5h n GLY 84 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1j5h n THR 85 N 2.73 -0.21 -3.31 2.61 5.66 -1.12 -4.78 114.28 115.86 1j5h n THR 85 Ca 0.00 -0.10 -0.38 0.00 -3.05 0.00 0.00 64.05 60.51 1j5h n THR 85 Cb 0.00 -0.32 -0.06 0.00 -1.55 0.00 0.00 70.33 68.40 1j5h n THR 85 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1j5h s VAL 86 N -2.75 4.78 -0.61 1.08 0.11 0.12 -4.76 120.40 118.37 1j5h s VAL 86 Ca 0.19 1.15 -0.27 0.00 -2.93 0.00 0.00 61.98 60.12 1j5h s VAL 86 Cb -0.11 -3.86 -0.00 0.00 -1.53 0.00 0.00 36.38 30.87 1j5h s VAL 86 CO 0.44 0.53 1.62 -1.81 -3.33 0.00 0.00 175.10 172.56 1j5h s ASP 87 N -1.16 5.71 0.60 3.54 -0.00 -1.26 -1.70 116.67 122.40 1j5h s ASP 87 Ca 0.29 0.22 0.29 0.00 -0.00 0.00 0.00 52.55 53.34 1j5h s ASP 87 Cb -0.19 -2.54 1.49 0.00 -0.00 0.00 0.00 42.92 41.68 1j5h s ASP 87 CO 0.18 -2.06 1.90 0.00 -0.00 0.00 0.00 175.17 175.19 1j5h h THR 89 N 0.00 0.05 0.00 0.00 1.03 -1.81 1.89 112.91 114.07 1j5h h THR 89 Ca 0.18 -0.54 -0.18 0.00 -0.01 0.00 0.00 66.41 65.86 1j5h h THR 89 Cb 1.09 1.51 -0.03 0.00 -1.07 0.00 0.00 68.15 69.65 1j5h h THR 89 CO -0.00 0.02 -1.09 0.74 -0.01 0.00 0.00 175.52 175.18 1j5h h THR 90 N 0.00 0.91 -0.00 0.00 2.02 0.22 -3.32 112.91 112.75 1j5h h THR 90 Ca -0.00 -2.46 0.00 0.00 0.77 0.00 0.00 66.41 64.72 1j5h h THR 90 Cb 0.51 2.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 1j5h h THR 90 CO 0.00 0.52 0.00 0.00 0.37 0.00 0.00 175.52 176.41 1j5h n ALA 91 N -2.36 2.23 -3.90 6.16 0.00 -0.90 -5.00 120.51 116.74 1j5h n ALA 91 Ca -0.05 -2.40 -0.32 0.00 0.00 0.00 0.00 53.44 50.67 1j5h n ALA 91 Cb 0.86 -0.33 0.01 0.00 0.00 0.00 0.00 19.45 19.99 1j5h n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j5h n ALA 92 N -1.30 -2.21 -0.65 0.00 0.00 0.61 -3.55 120.51 113.40 1j5h n ALA 92 Ca 0.14 -0.40 -0.07 0.00 0.00 0.00 0.00 53.44 53.11 1j5h n ALA 92 Cb 0.59 -1.61 0.11 0.00 0.00 0.00 0.00 19.45 18.54 1j5h n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j5h s GLN 94 N -3.08 0.73 -0.12 0.00 0.00 0.17 -2.16 119.66 115.19 1j5h s GLN 94 Ca 0.25 -1.05 -0.01 0.00 -0.00 0.00 0.00 55.36 54.55 1j5h s GLN 94 Cb -0.04 0.28 0.03 0.00 0.00 0.00 0.00 33.01 33.28 1j5h s GLN 94 CO 0.21 -0.20 -0.07 0.08 0.00 0.00 0.00 175.29 175.32 1j5h s VAL 95 N -3.82 0.98 0.31 3.63 1.01 -0.70 -1.70 120.40 120.11 1j5h s VAL 95 Ca 0.05 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.76 1j5h s VAL 95 Cb 0.06 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1j5h s VAL 95 CO -0.10 0.32 0.18 -0.83 0.00 0.00 0.00 175.10 174.66 1j5h s GLY 96 N 1.72 2.10 0.43 4.51 0.00 -0.58 -1.48 107.32 114.02 1j5h s GLY 96 Ca 0.04 -1.78 -0.09 0.00 0.00 0.00 0.00 44.72 42.90 1j5h s GLY 96 CO -0.08 -1.56 0.77 1.08 0.00 0.00 0.00 173.10 173.31 1j5h s LEU 97 N -3.37 3.77 -0.04 0.66 2.01 -1.26 0.22 118.68 120.66 1j5h s LEU 97 Ca 0.36 1.07 -0.01 0.00 0.01 0.00 0.00 54.13 55.56 1j5h s LEU 97 Cb 0.04 -3.97 0.03 0.00 0.01 0.00 0.00 46.19 42.30 1j5h s LEU 97 CO 0.19 -0.45 0.04 -0.44 1.01 0.00 0.00 176.35 176.70 1j5h s SER 98 N -3.43 0.94 0.50 2.29 0.01 0.29 -4.63 113.70 109.68 1j5h s SER 98 Ca 0.50 0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.81 1j5h s SER 98 Cb -0.10 -0.19 0.02 0.00 0.21 0.00 0.00 66.02 65.96 1j5h s SER 98 CO 0.35 -0.20 0.18 -0.90 0.41 0.00 0.00 173.24 173.08 1j5h n ASP 99 N 4.93 3.01 -0.96 2.44 5.68 -1.26 0.11 116.55 130.51 1j5h n ASP 99 Ca -0.11 -2.95 0.03 0.00 -0.50 0.00 0.00 54.79 51.26 1j5h n ASP 99 Cb 0.50 0.16 0.15 0.00 -1.14 0.00 0.00 41.12 40.79 1j5h n ASP 99 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1j5h n ALA 100 N -1.69 2.95 -2.66 2.12 0.00 -1.26 -3.12 120.51 116.85 1j5h n ALA 100 Ca -0.18 -0.68 -0.04 0.00 0.00 0.00 0.00 53.44 52.54 1j5h n ALA 100 Cb 0.60 -1.04 0.01 0.00 0.00 0.00 0.00 19.45 19.02 1j5h n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j5h n ALA 101 N 0.24 -2.19 0.00 0.00 0.00 -1.26 -4.98 120.51 112.32 1j5h n ALA 101 Ca 0.10 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1j5h n ALA 101 Cb 0.56 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1j5h n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5h n GLY 102 N -0.40 0.02 3.05 0.00 0.00 -1.25 -5.14 105.19 101.47 1j5h n GLY 102 Ca -0.23 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 1j5h n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1j5h n ASN 103 N -0.28 -3.83 0.00 1.61 0.23 -1.18 -4.77 115.26 107.03 1j5h n ASN 103 Ca 0.00 0.06 0.00 0.00 -0.53 0.00 0.00 54.58 54.11 1j5h n ASN 103 Cb 0.00 -0.67 0.00 0.00 -2.08 0.00 0.00 39.78 37.03 1j5h n ASN 103 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1j5h n GLY 104 N 3.23 0.78 3.61 4.83 0.00 -1.26 -4.89 105.19 111.48 1j5h n GLY 104 Ca -0.01 -2.02 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 1j5h n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j5h s PRO 105 N -1.20 3.65 0.00 1.61 0.04 -1.26 -4.58 135.00 133.26 1j5h s PRO 105 Ca 0.00 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1j5h s PRO 105 Cb 0.00 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1j5h s PRO 105 CO 0.00 -1.46 0.00 0.39 0.04 0.00 0.00 177.00 175.97 1j5h n GLU 106 N 7.90 0.00 -2.26 4.56 -0.58 -1.26 -5.17 120.64 123.83 1j5h n GLU 106 Ca 0.16 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.65 1j5h n GLU 106 Cb 0.48 0.00 0.09 0.00 -0.57 0.00 0.00 31.44 31.43 1j5h n GLU 106 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1j5h s GLY 107 N 0.00 1.72 -0.41 0.62 0.00 -1.26 -4.65 107.32 103.34 1j5h s GLY 107 Ca 0.00 -1.12 -0.17 0.00 0.00 0.00 0.00 44.72 43.43 1j5h s GLY 107 CO 0.00 -0.65 0.41 0.14 0.00 0.00 0.00 173.10 173.00 1j5h s VAL 108 N -3.28 5.12 -0.34 1.40 1.01 -0.55 -4.68 120.40 119.09 1j5h s VAL 108 Ca 0.63 -0.37 -0.28 0.00 0.00 0.00 0.00 61.98 61.96 1j5h s VAL 108 Cb -0.09 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1j5h s VAL 108 CO 0.45 -0.37 2.01 0.00 0.00 0.00 0.00 175.10 177.18 1j5h s ALA 109 N 2.05 2.63 0.19 5.51 0.00 -1.26 -1.72 121.76 129.15 1j5h s ALA 109 Ca 0.11 0.32 0.09 0.00 0.00 0.00 0.00 51.96 52.48 1j5h s ALA 109 Cb -0.17 -4.10 -0.04 0.00 0.00 0.00 0.00 23.12 18.81 1j5h s ALA 109 CO 0.13 -3.00 -0.08 0.42 0.00 0.00 0.00 175.76 173.24 1j5h s ILE 110 N 8.12 3.28 -0.60 0.00 1.01 -0.92 -4.95 121.20 127.14 1j5h s ILE 110 Ca 0.87 -1.66 -0.20 0.00 0.00 0.00 0.00 60.65 59.66 1j5h s ILE 110 Cb -0.24 -2.64 0.09 0.00 0.01 0.00 0.00 42.46 39.67 1j5h s ILE 110 CO 0.32 -0.14 0.78 -0.44 0.00 0.00 0.00 174.94 175.45 1j5h s SER 111 N -2.94 6.19 -0.08 3.58 0.01 -0.77 -4.26 113.70 115.43 1j5h s SER 111 Ca 0.26 -1.21 0.06 0.00 1.31 0.00 0.00 55.95 56.37 1j5h s SER 111 Cb -0.09 -2.34 0.33 0.00 0.21 0.00 0.00 66.02 64.14 1j5h s SER 111 CO 0.16 -1.18 1.06 0.49 0.41 0.00 0.00 173.24 174.17 1j5h n PHE 112 N 6.73 0.79 2.00 2.43 3.01 -1.26 -1.24 117.46 129.92 1j5h n PHE 112 Ca -0.07 -0.29 0.16 0.00 1.01 0.00 0.00 57.45 58.26 1j5h n PHE 112 Cb 0.44 -0.23 0.95 0.00 -0.01 0.00 0.00 39.48 40.63 1j5h n PHE 112 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06