#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 -3.18 -1.00 0.00 0.00 -1.26 -4.91 120.51 110.15 1j5h n ALA 2 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 53.44 54.21 1j5h n ALA 2 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 -3.86 0.00 0.00 0.00 -0.04 -1.23 -4.97 135.00 124.90 1j5h n PRO 3 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1j5h n PRO 3 Cb 0.58 -0.01 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 1j5h n PRO 3 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1j5h n THR 4 N 0.00 0.00 -2.56 0.52 -2.24 0.20 -4.83 114.28 105.37 1j5h n THR 4 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 1j5h n THR 4 Cb 0.00 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.31 1j5h n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j5h s ALA 5 N -2.00 3.71 0.01 6.98 0.00 -1.26 0.46 121.76 129.66 1j5h s ALA 5 Ca 0.00 -1.49 -0.14 0.00 0.00 0.00 0.00 51.96 50.33 1j5h s ALA 5 Cb 0.00 -2.10 0.02 0.00 0.00 0.00 0.00 23.12 21.04 1j5h s ALA 5 CO 0.00 -1.19 0.29 0.95 0.00 0.00 0.00 175.76 175.82 1j5h s THR 6 N -3.02 0.07 -0.32 0.00 -4.23 0.48 -4.75 115.64 103.87 1j5h s THR 6 Ca 0.62 -0.59 -0.05 0.00 -1.18 0.00 0.00 61.69 60.50 1j5h s THR 6 Cb -0.08 -0.75 0.04 0.00 1.34 0.00 0.00 72.50 73.06 1j5h s THR 6 CO 0.42 -0.32 0.06 -0.69 -0.54 0.00 0.00 174.62 173.55 1j5h s VAL 7 N -1.87 3.47 0.01 2.29 1.01 -1.26 -1.46 120.40 122.59 1j5h s VAL 7 Ca -0.10 -1.23 -0.03 0.00 0.00 0.00 0.00 61.98 60.63 1j5h s VAL 7 Cb -0.03 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 1j5h s VAL 7 CO 0.01 -0.15 0.25 0.41 0.00 0.00 0.00 175.10 175.62 1j5h n THR 8 N 4.74 -0.06 0.00 3.92 -1.04 -0.14 -3.15 114.28 118.55 1j5h n THR 8 Ca -0.13 0.38 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1j5h n THR 8 Cb 0.44 -0.49 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 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 -3.05 0.00 -0.84 -2.82 -0.04 -1.26 -4.97 135.00 122.02 1j5h n PRO 9 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1j5h n PRO 9 Cb 0.02 -0.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.35 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 -0.01 -1.86 -3.62 3.54 2.88 -1.19 -5.00 113.62 108.37 1j5h n SER 10 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 1j5h n SER 10 Cb 0.00 -0.35 -0.05 0.00 -0.75 0.00 0.00 64.21 63.05 1j5h n SER 10 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1j5h s SER 11 N -2.71 -0.23 -1.56 -3.46 1.04 -1.23 -0.94 113.70 104.61 1j5h s SER 11 Ca 0.00 0.31 -0.05 0.00 0.48 0.00 0.00 55.95 56.69 1j5h s SER 11 Cb 0.00 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.39 1j5h s SER 11 CO 0.00 -0.18 0.64 0.61 0.98 0.00 0.00 173.24 175.29 1j5h n GLY 12 N 0.97 -0.53 0.00 7.32 0.00 -0.71 -4.87 105.19 107.38 1j5h n GLY 12 Ca -0.07 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1j5h n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j5h n LEU 13 N -4.09 0.00 -3.87 0.99 4.77 -0.76 -4.56 117.00 109.49 1j5h n LEU 13 Ca -0.11 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.80 1j5h n LEU 13 Cb 0.62 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.69 1j5h n LEU 13 CO 0.48 0.00 0.46 -0.55 -1.33 0.00 0.00 177.39 176.45 1j5h s SER 14 N -1.00 -0.24 -0.30 -1.43 0.15 -1.26 -0.91 113.70 108.71 1j5h s SER 14 Ca 0.00 -0.66 -0.28 0.00 0.70 0.00 0.00 55.95 55.72 1j5h s SER 14 Cb 0.00 0.73 -0.05 0.00 -1.71 0.00 0.00 66.02 64.99 1j5h s SER 14 CO 0.00 -1.36 2.24 -0.62 1.20 0.00 0.00 173.24 174.71 1j5h s ASP 15 N -2.93 5.21 -0.13 5.45 -1.08 -1.26 -0.87 116.67 121.06 1j5h s ASP 15 Ca 0.12 1.63 -0.01 0.00 -0.52 0.00 0.00 52.55 53.78 1j5h s ASP 15 Cb -0.06 -2.51 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 1j5h s ASP 15 CO 0.07 -2.19 0.08 0.61 0.52 0.00 0.00 175.17 174.26 1j5h n GLY 16 N 5.81 0.69 3.56 2.66 0.00 0.27 -4.64 105.19 113.54 1j5h n GLY 16 Ca 0.31 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 1j5h n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5h s THR 17 N -2.78 3.77 -1.04 2.61 2.01 -0.05 -4.30 115.64 115.86 1j5h s THR 17 Ca 0.04 -0.59 -0.24 0.00 0.31 0.00 0.00 61.69 61.20 1j5h s THR 17 Cb -0.02 -4.73 -0.11 0.00 0.01 0.00 0.00 72.50 67.65 1j5h s THR 17 CO 0.05 -1.63 2.04 -0.69 -0.69 0.00 0.00 174.62 173.69 1j5h s VAL 18 N 6.55 3.35 0.46 3.82 1.01 -1.24 -1.89 120.40 132.46 1j5h s VAL 18 Ca 0.53 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1j5h s VAL 18 Cb -0.02 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.26 1j5h s VAL 18 CO -0.06 -0.67 0.67 0.68 0.00 0.00 0.00 175.10 175.72 1j5h s VAL 19 N 12.46 3.60 0.35 2.92 -7.23 -0.74 -4.69 120.40 127.07 1j5h s VAL 19 Ca 0.75 -0.63 -0.28 0.00 -1.81 0.00 0.00 61.98 60.01 1j5h s VAL 19 Cb -0.05 -3.32 -0.10 0.00 0.56 0.00 0.00 36.38 33.48 1j5h s VAL 19 CO 0.10 -0.21 1.27 -0.54 -0.31 0.00 0.00 175.10 175.41 1j5h s LYS 20 N -4.56 4.25 -0.00 4.82 1.02 -1.26 -0.38 119.74 123.64 1j5h s LYS 20 Ca 0.51 2.13 0.00 0.00 0.02 0.00 0.00 55.97 58.63 1j5h s LYS 20 Cb -0.10 -2.96 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 1j5h s LYS 20 CO 0.37 -0.25 -0.00 0.08 -0.92 0.00 0.00 175.35 174.63 1j5h s VAL 21 N -1.20 0.04 0.06 3.17 1.01 0.13 -0.97 120.40 122.64 1j5h s VAL 21 Ca 0.51 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.48 1j5h s VAL 21 Cb -0.38 -0.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 1j5h s VAL 21 CO 0.49 0.01 -0.05 0.00 0.00 0.00 0.00 175.10 175.56 1j5h s ALA 22 N 0.01 0.63 0.00 5.51 0.00 -0.54 -0.14 121.76 127.24 1j5h s ALA 22 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1j5h s ALA 22 Cb -0.00 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1j5h s ALA 22 CO -0.00 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1j5h n GLY 23 N 0.46 -1.83 0.00 0.00 0.00 0.86 -0.38 105.19 104.29 1j5h n GLY 23 Ca -0.16 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 0.33 0.00 1.05 4.61 0.00 0.17 -1.31 120.51 125.37 1j5h n ALA 24 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1j5h n ALA 24 Cb 0.00 0.00 0.48 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.52 3.82 0.00 0.00 -1.26 0.60 105.19 107.83 1j5h n GLY 25 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.98 -1.83 0.00 0.99 7.94 -1.08 -4.32 117.00 117.72 1j5h n LEU 26 Ca 0.12 -1.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.01 1j5h n LEU 26 Cb 0.06 -1.82 0.00 0.00 0.53 0.00 0.00 43.42 42.18 1j5h n LEU 26 CO 0.09 0.42 0.00 1.67 -1.11 0.00 0.00 177.39 178.46 1j5h n GLN 27 N -3.48 0.00 0.00 1.96 -0.06 0.05 -4.64 117.38 111.21 1j5h n GLN 27 Ca -0.21 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.79 1j5h n GLN 27 Cb 0.63 -0.01 0.00 0.00 -4.06 0.00 0.00 30.24 26.80 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 -0.83 1.69 0.00 -1.25 -3.97 120.51 113.16 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 0.15 3.51 0.00 0.00 -1.26 -4.77 105.19 102.82 1j5h n GLY 29 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 1j5h n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5h s THR 30 N -2.16 0.02 0.68 2.61 2.01 -1.26 -4.94 115.64 112.59 1j5h s THR 30 Ca 0.00 -0.46 -0.16 0.00 0.31 0.00 0.00 61.69 61.37 1j5h s THR 30 Cb 0.00 -1.35 0.01 0.00 0.01 0.00 0.00 72.50 71.17 1j5h s THR 30 CO 0.00 -0.07 1.21 0.00 -0.69 0.00 0.00 174.62 175.07 1j5h s ALA 31 N -3.82 2.27 -0.45 7.40 0.00 -1.26 -0.96 121.76 124.93 1j5h s ALA 31 Ca 0.05 0.93 0.05 0.00 0.00 0.00 0.00 51.96 53.00 1j5h s ALA 31 Cb -0.01 -3.47 0.19 0.00 0.00 0.00 0.00 23.12 19.82 1j5h s ALA 31 CO -0.07 -1.64 0.52 0.66 0.00 0.00 0.00 175.76 175.24 1j5h n TYR 32 N -2.34 -2.11 -1.67 0.00 4.01 0.18 -4.74 117.16 110.50 1j5h n TYR 32 Ca 0.14 -2.52 -0.46 0.00 -0.16 0.00 0.00 57.90 54.89 1j5h n TYR 32 Cb 0.50 0.75 -0.04 0.00 -0.31 0.00 0.00 39.34 40.23 1j5h n TYR 32 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1j5h n ASP 33 N 2.74 3.10 -4.78 7.72 -0.08 0.12 -1.76 116.55 123.61 1j5h n ASP 33 Ca 0.24 1.07 -0.35 0.00 -1.51 0.00 0.00 54.79 54.24 1j5h n ASP 33 Cb 0.52 -1.41 -0.01 0.00 2.34 0.00 0.00 41.12 42.56 1j5h n ASP 33 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1j5h s VAL 34 N 1.30 3.24 0.05 5.18 1.01 0.14 -0.74 120.40 130.57 1j5h s VAL 34 Ca 0.81 0.80 0.05 0.00 0.00 0.00 0.00 61.98 63.64 1j5h s VAL 34 Cb -0.69 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 1j5h s VAL 34 CO 0.40 -0.14 -0.15 -0.83 0.00 0.00 0.00 175.10 174.38 1j5h s GLY 35 N -1.72 0.84 -0.16 4.51 0.00 0.10 -4.35 107.32 106.53 1j5h s GLY 35 Ca 0.70 -0.89 -0.02 0.00 0.00 0.00 0.00 44.72 44.51 1j5h s GLY 35 CO 0.27 -0.88 0.02 1.62 0.00 0.00 0.00 173.10 174.14 1j5h s GLN 36 N -1.30 0.67 0.24 2.90 2.00 -1.26 -1.94 119.66 120.98 1j5h s GLN 36 Ca 0.01 -0.30 0.02 0.00 -2.00 0.00 0.00 55.36 53.09 1j5h s GLN 36 Cb -0.08 -1.84 -0.01 0.00 0.80 0.00 0.00 33.01 31.88 1j5h s GLN 36 CO 0.02 -0.55 0.07 0.00 -0.50 0.00 0.00 175.29 174.33 1j5h s ALA 38 N -2.61 -1.23 -0.41 0.00 0.00 0.84 0.64 121.76 118.99 1j5h s ALA 38 Ca 0.11 1.64 -0.14 0.00 0.00 0.00 0.00 51.96 53.57 1j5h s ALA 38 Cb 0.01 -1.22 0.03 0.00 0.00 0.00 0.00 23.12 21.94 1j5h s ALA 38 CO 0.07 -0.56 0.29 -0.46 0.00 0.00 0.00 175.76 175.11 1j5h s TRP 39 N 2.11 3.25 0.00 0.00 -0.00 -1.25 -0.40 118.94 122.64 1j5h s TRP 39 Ca -0.06 -0.79 0.00 0.00 -0.00 0.00 0.00 56.10 55.25 1j5h s TRP 39 Cb -0.10 -2.67 0.00 0.00 -0.00 0.00 0.00 33.47 30.70 1j5h s TRP 39 CO -0.14 -0.65 0.00 0.28 -0.00 0.00 0.00 176.95 176.44 1j5h n VAL 40 N 5.12 0.00 0.00 5.86 0.31 -0.61 -4.63 118.33 124.37 1j5h n VAL 40 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1j5h n VAL 40 Cb 0.46 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 1j5h n VAL 40 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1j5h n ASP 41 N 0.00 -0.14 0.03 4.52 4.64 -1.25 -4.80 116.55 119.55 1j5h n ASP 41 Ca 0.00 0.00 -0.13 0.00 -1.38 0.00 0.00 54.79 53.28 1j5h n ASP 41 Cb 0.00 0.00 -0.09 0.00 -1.04 0.00 0.00 41.12 39.99 1j5h n ASP 41 CO 0.00 0.00 0.00 0.74 -0.82 0.00 0.00 177.20 177.12 1j5h h THR 42 N -0.90 1.17 -0.77 5.18 2.02 -2.04 -3.32 112.91 114.26 1j5h h THR 42 Ca 0.00 -0.91 -0.56 0.00 0.77 0.00 0.00 66.41 65.72 1j5h h THR 42 Cb 0.00 1.76 -0.42 0.00 -1.74 0.00 0.00 68.15 67.75 1j5h h THR 42 CO 0.00 0.22 -0.68 0.61 0.37 0.00 0.00 175.52 176.04 1j5h n GLY 43 N -0.01 6.36 2.57 2.16 0.00 -1.26 -4.73 105.19 110.29 1j5h n GLY 43 Ca -0.08 -2.63 -0.22 0.00 0.00 0.00 0.00 46.02 43.09 1j5h n GLY 43 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1j5h n VAL 44 N -0.73 1.92 -3.54 1.61 0.31 -1.25 -5.03 118.33 111.63 1j5h n VAL 44 Ca 0.45 -4.52 -0.41 0.00 -0.01 0.00 0.00 64.34 59.86 1j5h n VAL 44 Cb 0.94 -0.70 -0.11 0.00 -0.91 0.00 0.00 33.84 33.06 1j5h n VAL 44 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1j5h s LEU 45 N -3.34 4.66 0.20 7.52 0.20 -1.26 -1.58 118.68 125.08 1j5h s LEU 45 Ca 0.42 -0.65 0.05 0.00 0.69 0.00 0.00 54.13 54.63 1j5h s LEU 45 Cb 0.39 -2.11 -0.03 0.00 -0.43 0.00 0.00 46.19 44.01 1j5h s LEU 45 CO -0.11 -0.31 0.25 0.00 -0.29 0.00 0.00 176.35 175.89 1j5h s ALA 46 N 1.67 3.79 0.15 5.97 0.00 0.47 -4.56 121.76 129.25 1j5h s ALA 46 Ca 0.05 -1.21 0.10 0.00 0.00 0.00 0.00 51.96 50.91 1j5h s ALA 46 Cb -0.18 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 1j5h s ALA 46 CO 0.09 0.39 -0.21 0.00 0.00 0.00 0.00 175.76 176.04 1j5h s ASN 48 N -2.40 5.51 0.00 0.00 3.84 0.14 -1.05 114.94 120.99 1j5h s ASN 48 Ca 0.19 -2.23 0.00 0.00 0.21 0.00 0.00 52.86 51.03 1j5h s ASN 48 Cb -0.09 -1.93 0.00 0.00 -0.55 0.00 0.00 41.25 38.68 1j5h s ASN 48 CO 0.10 -0.56 1.48 -0.81 -2.79 0.00 0.00 177.10 174.52 1j5h n PRO 49 N 4.41 0.75 0.00 0.43 -0.04 -1.26 -2.31 135.00 136.97 1j5h n PRO 49 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1j5h n PRO 49 Cb 0.41 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 1.61 1.05 -0.34 0.55 0.00 -1.26 -4.83 120.51 117.29 1j5h n ALA 50 Ca 0.00 -0.41 0.16 0.00 0.00 0.00 0.00 53.44 53.20 1j5h n ALA 50 Cb 0.37 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.14 1j5h n ALA 50 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1j5h h ASP 51 N 0.00 -0.40 0.00 0.00 3.04 -1.73 -3.42 116.42 113.91 1j5h h ASP 51 Ca 0.00 0.28 0.00 0.00 -3.24 0.00 0.00 57.03 54.07 1j5h h ASP 51 Cb 0.59 0.47 0.00 0.00 -1.04 0.00 0.00 39.33 39.35 1j5h h ASP 51 CO 0.00 -0.36 0.00 0.49 -2.04 0.00 0.00 179.24 177.33 1j5h n PHE 52 N -5.47 0.00 -0.83 4.15 3.72 -1.26 -4.85 117.46 112.92 1j5h n PHE 52 Ca 0.25 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.38 1j5h n PHE 52 Cb 0.81 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.35 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 -2.06 -3.61 4.37 7.64 -1.26 -4.62 113.62 114.62 1j5h n SER 53 Ca 0.00 0.49 -0.15 0.00 1.01 0.00 0.00 58.87 60.22 1j5h n SER 53 Cb 0.00 -0.56 -0.07 0.00 -1.01 0.00 0.00 64.21 62.57 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 -0.65 -0.69 0.00 6.43 1.04 -1.26 0.27 113.70 118.84 1j5h s SER 54 Ca 0.38 1.18 0.00 0.00 0.48 0.00 0.00 55.95 57.99 1j5h s SER 54 Cb -0.38 1.15 0.00 0.00 0.10 0.00 0.00 66.02 66.89 1j5h s SER 54 CO 0.42 -0.34 0.00 0.55 0.98 0.00 0.00 173.24 174.84 1j5h n VAL 55 N 2.20 0.00 -4.06 5.02 3.14 -0.72 -4.82 118.33 119.09 1j5h n VAL 55 Ca -0.15 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.13 1j5h n VAL 55 Cb 0.56 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.26 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 -0.86 0.05 0.78 1.55 2.01 -1.26 0.47 115.64 118.37 1j5h s THR 56 Ca 0.00 -1.65 -0.13 0.00 0.31 0.00 0.00 61.69 60.22 1j5h s THR 56 Cb 0.00 -2.07 0.18 0.00 0.01 0.00 0.00 72.50 70.62 1j5h s THR 56 CO 0.00 -0.24 1.05 0.00 -0.69 0.00 0.00 174.62 174.74 1j5h n ALA 57 N -0.22 -1.21 -3.19 7.40 0.00 -0.14 -3.48 120.51 119.67 1j5h n ALA 57 Ca -0.04 -1.38 -0.16 0.00 0.00 0.00 0.00 53.44 51.87 1j5h n ALA 57 Cb 0.64 -0.07 -0.15 0.00 0.00 0.00 0.00 19.45 19.87 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 -4.86 0.41 0.00 0.00 1.47 0.40 -4.71 116.67 109.38 1j5h s ASP 58 Ca 0.60 -0.05 0.00 0.00 1.18 0.00 0.00 52.55 54.28 1j5h s ASP 58 Cb -0.02 -0.13 0.00 0.00 -0.34 0.00 0.00 42.92 42.44 1j5h s ASP 58 CO 0.42 -0.02 0.00 0.00 0.68 0.00 0.00 175.17 176.25 1j5h n ALA 59 N 3.48 0.00 0.00 2.11 0.00 -1.26 0.31 120.51 125.15 1j5h n ALA 59 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1j5h n ALA 59 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 -4.85 115.26 114.29 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 1.07 3.72 8.20 0.00 0.15 -3.81 105.19 114.52 1j5h n GLY 61 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1j5h n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j5h s SER 62 N -1.51 7.31 0.74 1.61 0.01 -1.19 -0.77 113.70 119.89 1j5h s SER 62 Ca 0.00 1.79 -0.11 0.00 1.31 0.00 0.00 55.95 58.94 1j5h s SER 62 Cb 0.00 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.69 1j5h s SER 62 CO 0.00 -0.28 1.08 0.00 0.41 0.00 0.00 173.24 174.45 1j5h s ALA 63 N 0.81 2.57 -0.30 1.44 0.00 -0.43 0.15 121.76 126.00 1j5h s ALA 63 Ca 0.53 -0.16 -0.08 0.00 0.00 0.00 0.00 51.96 52.24 1j5h s ALA 63 Cb -0.24 -3.10 0.17 0.00 0.00 0.00 0.00 23.12 19.95 1j5h s ALA 63 CO 0.29 -1.39 0.77 -1.54 0.00 0.00 0.00 175.76 173.90 1j5h s SER 64 N -4.01 -0.99 0.00 0.00 1.04 -1.23 -0.10 113.70 108.41 1j5h s SER 64 Ca 0.59 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.96 1j5h s SER 64 Cb -0.13 1.96 0.00 0.00 0.10 0.00 0.00 66.02 67.95 1j5h s SER 64 CO 0.54 -0.19 0.00 1.07 0.98 0.00 0.00 173.24 175.64 1j5h n THR 65 N 5.35 0.00 -3.77 2.02 5.66 0.81 -4.79 114.28 119.55 1j5h n THR 65 Ca -0.07 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.81 1j5h n THR 65 Cb 0.51 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.17 1j5h n THR 65 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1j5h s SER 66 N -4.00 -0.24 -0.09 1.09 0.01 -1.26 0.18 113.70 109.40 1j5h s SER 66 Ca 0.00 0.47 0.02 0.00 1.31 0.00 0.00 55.95 57.75 1j5h s SER 66 Cb 0.00 0.43 -0.02 0.00 0.21 0.00 0.00 66.02 66.64 1j5h s SER 66 CO 0.00 -0.11 -0.15 -0.76 0.41 0.00 0.00 173.24 172.64 1j5h s LEU 67 N 0.48 2.67 -0.72 2.44 1.43 0.49 -4.86 118.68 120.61 1j5h s LEU 67 Ca -0.03 -0.29 -0.26 0.00 -1.03 0.00 0.00 54.13 52.52 1j5h s LEU 67 Cb -0.04 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.61 1j5h s LEU 67 CO -0.02 0.25 1.62 0.28 0.23 0.00 0.00 176.35 178.70 1j5h s THR 68 N -0.14 3.55 -0.68 5.49 -1.32 -1.26 -1.78 115.64 119.49 1j5h s THR 68 Ca -0.01 0.15 -0.21 0.00 -1.21 0.00 0.00 61.69 60.41 1j5h s THR 68 Cb -0.14 -4.41 -0.17 0.00 -1.51 0.00 0.00 72.50 66.28 1j5h s THR 68 CO 0.03 -1.35 1.89 0.52 -2.21 0.00 0.00 174.62 173.50 1j5h n VAL 69 N 6.93 1.64 -1.73 5.08 0.31 -0.79 -4.67 118.33 125.11 1j5h n VAL 69 Ca 0.17 -1.36 -0.42 0.00 -0.01 0.00 0.00 64.34 62.71 1j5h n VAL 69 Cb 0.50 -2.25 -0.03 0.00 -0.91 0.00 0.00 33.84 31.16 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 5.05 4.14 -0.03 5.55 0.52 -1.26 0.96 118.95 133.87 1j5h s ARG 70 Ca 0.55 2.53 -0.07 0.00 -0.52 0.00 0.00 55.73 58.22 1j5h s ARG 70 Cb 0.14 -4.14 -0.04 0.00 0.52 0.00 0.00 34.95 31.43 1j5h s ARG 70 CO 0.12 -0.95 0.44 -0.09 0.02 0.00 0.00 175.30 174.85 1j5h h ARG 71 N 10.47 -0.25 -5.07 3.54 2.43 -1.82 -3.39 114.38 120.28 1j5h h ARG 71 Ca -0.48 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 58.67 1j5h h ARG 71 Cb 1.23 0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.85 1j5h h ARG 71 CO 0.94 -0.17 0.20 -1.13 -1.51 0.00 0.00 179.97 178.31 1j5h n SER 72 N -3.78 0.96 -4.42 -3.80 3.41 -1.26 -1.35 113.62 103.37 1j5h n SER 72 Ca -0.03 -2.37 -0.33 0.00 -0.26 0.00 0.00 58.87 55.88 1j5h n SER 72 Cb 0.10 -1.52 0.12 0.00 -0.26 0.00 0.00 64.21 62.65 1j5h n SER 72 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1j5h n PHE 73 N 17.65 -1.40 -2.74 7.33 7.35 0.35 -4.53 117.46 141.47 1j5h n PHE 73 Ca 0.37 0.24 -0.08 0.00 -0.76 0.00 0.00 57.45 57.21 1j5h n PHE 73 Cb 0.47 -1.79 0.07 0.00 0.35 0.00 0.00 39.48 38.58 1j5h n PHE 73 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1j5h n GLU 74 N -1.77 0.88 -4.60 -4.13 1.02 -1.26 0.12 120.64 110.89 1j5h n GLU 74 Ca 0.07 -1.81 -0.28 0.00 -0.02 0.00 0.00 57.16 55.11 1j5h n GLU 74 Cb 0.54 -1.29 -0.08 0.00 -0.02 0.00 0.00 31.44 30.59 1j5h n GLU 74 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1j5h s GLY 75 N -1.53 2.78 0.10 0.62 0.00 -1.25 -4.52 107.32 103.54 1j5h s GLY 75 Ca 0.28 -0.90 0.08 0.00 0.00 0.00 0.00 44.72 44.17 1j5h s GLY 75 CO -0.17 -1.96 -0.19 -0.11 0.00 0.00 0.00 173.10 170.67 1j5h s PHE 76 N -3.09 1.70 0.13 1.90 -0.71 -0.22 -1.73 117.98 115.96 1j5h s PHE 76 Ca 0.17 -0.43 -0.25 0.00 -1.04 0.00 0.00 56.93 55.37 1j5h s PHE 76 Cb 0.02 -0.92 -0.06 0.00 -1.21 0.00 0.00 43.02 40.85 1j5h s PHE 76 CO 0.11 0.19 1.28 1.28 -1.34 0.00 0.00 175.22 176.74 1j5h n LEU 77 N 1.01 -0.86 0.00 -1.99 4.77 0.22 -1.42 117.00 118.73 1j5h n LEU 77 Ca -0.19 1.47 0.00 0.00 -0.03 0.00 0.00 56.01 57.26 1j5h n LEU 77 Cb 0.54 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1j5h n LEU 77 CO 0.23 -1.19 0.00 0.33 -1.33 0.00 0.00 177.39 175.43 1j5h n PHE 78 N -4.98 0.00 0.00 -1.77 7.35 -1.25 -4.01 117.46 112.80 1j5h n PHE 78 Ca 0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 1j5h n PHE 78 Cb 0.21 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.04 1j5h n PHE 78 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1j5h n ASP 79 N 0.00 0.00 -0.04 -2.13 2.03 -1.26 -4.98 116.55 110.17 1j5h n ASP 79 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 1j5h n ASP 79 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 1j5h n ASP 79 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1j5h h GLY 80 N 0.00 0.24 -2.66 0.27 0.00 -1.97 -3.48 103.07 95.48 1j5h h GLY 80 Ca 0.00 -0.13 0.36 0.00 0.00 0.00 0.00 47.33 47.57 1j5h h GLY 80 CO 0.00 0.12 0.92 -1.59 0.00 0.00 0.00 176.54 175.99 1j5h s THR 81 N -5.61 0.00 0.01 4.70 2.01 -1.26 -5.05 115.64 110.43 1j5h s THR 81 Ca -0.14 -0.12 0.03 0.00 0.31 0.00 0.00 61.69 61.78 1j5h s THR 81 Cb 0.07 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.32 1j5h s THR 81 CO 0.70 0.00 -0.07 0.00 -0.69 0.00 0.00 174.62 174.55 1j5h s ARG 82 N -2.17 2.52 -0.10 4.92 1.70 -1.26 0.72 118.95 125.28 1j5h s ARG 82 Ca 0.18 -0.74 -0.07 0.00 -0.47 0.00 0.00 55.73 54.63 1j5h s ARG 82 Cb 0.05 -2.48 -0.02 0.00 -0.57 0.00 0.00 34.95 31.92 1j5h s ARG 82 CO -0.04 0.60 -0.14 0.91 -1.08 0.00 0.00 175.30 175.54 1j5h n TRP 83 N 1.54 0.44 -0.42 5.89 5.03 -0.74 -4.87 117.44 124.30 1j5h n TRP 83 Ca -0.15 0.19 0.04 0.00 3.03 0.00 0.00 57.50 60.61 1j5h n TRP 83 Cb 0.52 -0.51 -0.02 0.00 -1.03 0.00 0.00 31.31 30.27 1j5h n TRP 83 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1j5h n GLY 84 N 1.61 -2.90 1.03 6.99 0.00 -0.71 -4.85 105.19 106.37 1j5h n GLY 84 Ca -0.06 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1j5h n GLY 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j5h n THR 85 N -2.53 0.00 -3.88 2.61 -1.04 -0.91 -4.77 114.28 103.76 1j5h n THR 85 Ca -0.02 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.65 1j5h n THR 85 Cb 0.19 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.57 1j5h n THR 85 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1j5h s VAL 86 N -0.08 2.86 -0.42 12.58 1.01 0.32 -4.90 120.40 131.78 1j5h s VAL 86 Ca 0.00 -2.25 -0.37 0.00 0.00 0.00 0.00 61.98 59.36 1j5h s VAL 86 Cb 0.00 -3.01 -0.14 0.00 0.00 0.00 0.00 36.38 33.23 1j5h s VAL 86 CO 0.00 -0.66 2.20 0.47 0.00 0.00 0.00 175.10 177.11 1j5h n ASP 87 N 4.37 1.66 -3.06 3.32 9.92 -1.26 -0.49 116.55 131.01 1j5h n ASP 87 Ca 0.01 0.46 0.00 0.00 -0.53 0.00 0.00 54.79 54.73 1j5h n ASP 87 Cb 0.41 -1.15 0.00 0.00 -0.64 0.00 0.00 41.12 39.74 1j5h n ASP 87 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1j5h n THR 89 N -2.38 0.00 -0.06 0.00 -2.24 -1.26 -4.61 114.28 103.73 1j5h n THR 89 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 1j5h n THR 89 Cb 0.00 -0.17 -0.09 0.00 -2.10 0.00 0.00 70.33 67.97 1j5h n THR 89 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1j5h n THR 90 N -2.00 0.77 -0.16 4.28 -1.04 -1.23 -4.60 114.28 110.31 1j5h n THR 90 Ca 0.00 -0.46 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 1j5h n THR 90 Cb 0.00 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 1j5h n THR 90 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j5h n ALA 91 N -2.46 1.99 -3.67 2.41 0.00 -1.26 -5.02 120.51 112.50 1j5h n ALA 91 Ca -0.19 -0.64 -0.31 0.00 0.00 0.00 0.00 53.44 52.30 1j5h n ALA 91 Cb 0.86 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.35 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 -0.19 -2.56 -0.91 0.00 0.00 -1.26 -3.94 120.51 111.64 1j5h n ALA 92 Ca 0.00 -0.24 -0.36 0.00 0.00 0.00 0.00 53.44 52.84 1j5h n ALA 92 Cb 0.15 -3.97 0.07 0.00 0.00 0.00 0.00 19.45 15.70 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 -2.49 1.07 -0.32 0.00 -2.07 0.21 -1.76 119.66 114.30 1j5h s GLN 94 Ca 0.44 -1.15 -0.02 0.00 -1.82 0.00 0.00 55.36 52.81 1j5h s GLN 94 Cb -0.08 -1.23 0.11 0.00 -1.09 0.00 0.00 33.01 30.72 1j5h s GLN 94 CO 0.72 0.28 0.13 0.08 -1.32 0.00 0.00 175.29 175.18 1j5h s VAL 95 N -1.34 0.47 0.00 3.63 1.01 -0.61 -1.30 120.40 122.26 1j5h s VAL 95 Ca 0.06 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1j5h s VAL 95 Cb -0.09 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1j5h s VAL 95 CO 0.04 -0.75 0.00 0.61 0.00 0.00 0.00 175.10 175.00 1j5h n GLY 96 N 4.80 4.35 3.57 4.51 0.00 -0.82 -4.72 105.19 116.89 1j5h n GLY 96 Ca -0.01 -2.19 -0.25 0.00 0.00 0.00 0.00 46.02 43.57 1j5h n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j5h s LEU 97 N 0.00 2.94 -0.05 0.99 1.02 -1.26 -0.73 118.68 121.60 1j5h s LEU 97 Ca 0.00 -0.67 -0.29 0.00 0.02 0.00 0.00 54.13 53.19 1j5h s LEU 97 Cb 0.00 -1.57 0.10 0.00 0.02 0.00 0.00 46.19 44.74 1j5h s LEU 97 CO 0.00 0.07 0.86 -0.55 0.02 0.00 0.00 176.35 176.75 1j5h s SER 98 N -3.11 -0.43 0.45 2.29 0.15 0.08 -4.64 113.70 108.49 1j5h s SER 98 Ca 0.27 0.25 0.06 0.00 0.70 0.00 0.00 55.95 57.23 1j5h s SER 98 Cb -0.08 0.40 0.02 0.00 -1.71 0.00 0.00 66.02 64.65 1j5h s SER 98 CO 0.16 -0.56 0.63 1.51 1.20 0.00 0.00 173.24 176.18 1j5h s ASP 99 N -1.83 5.57 -0.50 5.45 1.47 -1.26 0.16 116.67 125.72 1j5h s ASP 99 Ca -0.00 -0.28 -0.02 0.00 1.18 0.00 0.00 52.55 53.43 1j5h s ASP 99 Cb -0.01 -0.76 0.32 0.00 -0.34 0.00 0.00 42.92 42.13 1j5h s ASP 99 CO -0.03 -0.85 2.06 0.00 0.68 0.00 0.00 175.17 177.03 1j5h n ALA 100 N -1.99 5.79 0.00 2.11 0.00 -1.26 -3.77 120.51 121.39 1j5h n ALA 100 Ca 0.07 -2.64 0.00 0.00 0.00 0.00 0.00 53.44 50.88 1j5h n ALA 100 Cb 0.59 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 0.00 0.14 0.00 0.00 -1.26 -5.00 120.51 114.15 1j5h n ALA 101 Ca 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.80 1j5h n ALA 101 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 1j5h n ALA 101 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1j5h h GLY 102 N 0.00 -0.44 0.00 0.00 0.00 -1.97 -3.49 103.07 97.17 1j5h h GLY 102 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1j5h h GLY 102 CO 0.00 -0.16 0.00 -2.01 0.00 0.00 0.00 176.54 174.37 1j5h n ASN 103 N -5.07 0.00 0.00 0.19 2.85 -1.25 -4.96 115.26 107.02 1j5h n ASN 103 Ca -0.08 -0.55 0.00 0.00 -0.11 0.00 0.00 54.58 53.84 1j5h n ASN 103 Cb 0.25 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.27 1j5h n ASN 103 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1j5h n GLY 104 N 0.00 0.08 0.00 8.20 0.00 -1.26 -4.00 105.19 108.21 1j5h n GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1j5h n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j5h n PRO 105 N -1.59 -0.16 0.00 1.61 -0.04 -1.26 -4.53 135.00 129.03 1j5h n PRO 105 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1j5h n PRO 105 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1j5h n PRO 105 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1j5h n GLU 106 N -0.97 0.00 0.00 0.54 4.07 -1.26 -4.73 120.64 118.29 1j5h n GLU 106 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1j5h n GLU 106 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1j5h n GLU 106 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1j5h n GLY 107 N -1.00 0.24 1.45 8.31 0.00 -1.26 -5.00 105.19 107.93 1j5h n GLY 107 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1j5h n GLY 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1j5h n VAL 108 N 3.06 -1.71 -2.21 1.61 0.31 -1.26 -1.87 118.33 116.27 1j5h n VAL 108 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 1j5h n VAL 108 Cb 0.00 -3.76 -0.03 0.00 -0.91 0.00 0.00 33.84 29.14 1j5h n VAL 108 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1j5h s ALA 109 N -1.44 2.84 0.15 3.52 0.00 -1.26 -1.57 121.76 123.99 1j5h s ALA 109 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.79 1j5h s ALA 109 Cb 0.00 -4.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.04 1j5h s ALA 109 CO 0.00 -2.75 0.30 0.42 0.00 0.00 0.00 175.76 173.73 1j5h s ILE 110 N 6.47 5.30 -0.25 0.00 1.09 -0.72 -4.91 121.20 128.17 1j5h s ILE 110 Ca 0.66 -0.53 -0.06 0.00 -1.10 0.00 0.00 60.65 59.62 1j5h s ILE 110 Cb -0.16 -3.72 -0.01 0.00 -1.06 0.00 0.00 42.46 37.51 1j5h s ILE 110 CO 0.30 -0.07 0.05 -0.55 -0.10 0.00 0.00 174.94 174.57 1j5h s SER 111 N -3.06 4.93 -0.22 3.58 0.15 -0.11 -4.28 113.70 114.69 1j5h s SER 111 Ca 0.36 -0.38 -0.19 0.00 0.70 0.00 0.00 55.95 56.44 1j5h s SER 111 Cb -0.11 -1.87 -0.03 0.00 -1.71 0.00 0.00 66.02 62.30 1j5h s SER 111 CO 0.28 -0.07 0.57 -0.36 1.20 0.00 0.00 173.24 174.86 1j5h s PHE 112 N 1.55 3.34 0.00 3.44 0.40 -1.26 -1.73 117.98 123.72 1j5h s PHE 112 Ca 0.05 0.80 0.00 0.00 -0.60 0.00 0.00 56.93 57.18 1j5h s PHE 112 Cb -0.15 -2.74 0.00 0.00 0.51 0.00 0.00 43.02 40.63 1j5h s PHE 112 CO 0.02 -0.19 0.00 -1.71 0.70 0.00 0.00 175.22 174.04