#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 1.86 1.08 0.00 0.00 -1.25 -3.94 120.51 118.26 1j5h n ALA 2 Ca 0.00 -1.97 0.11 0.00 0.00 0.00 0.00 53.44 51.58 1j5h n ALA 2 Cb 0.00 -0.99 0.58 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.34 0.33 0.00 0.00 -0.04 -1.23 -2.09 135.00 131.63 1j5h n PRO 3 Ca 0.02 0.07 0.10 0.00 -0.04 0.00 0.00 63.50 63.65 1j5h n PRO 3 Cb 0.83 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.72 1j5h n PRO 3 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1j5h n THR 4 N -1.28 0.00 -2.14 0.52 -1.04 -0.44 -4.91 114.28 104.99 1j5h n THR 4 Ca 0.11 -0.13 -0.43 0.00 -2.04 0.00 0.00 64.05 61.56 1j5h n THR 4 Cb 0.18 1.10 -0.03 0.00 -1.82 0.00 0.00 70.33 69.77 1j5h n THR 4 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j5h s ALA 5 N -2.67 3.46 0.06 2.41 0.00 -0.89 -1.41 121.76 122.72 1j5h s ALA 5 Ca 0.12 0.61 -0.09 0.00 0.00 0.00 0.00 51.96 52.60 1j5h s ALA 5 Cb 0.16 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1j5h s ALA 5 CO 0.70 -1.62 0.19 0.95 0.00 0.00 0.00 175.76 175.98 1j5h s THR 6 N 4.49 0.12 0.10 0.00 -4.23 -0.69 -4.24 115.64 111.21 1j5h s THR 6 Ca 0.69 -1.01 0.08 0.00 -1.18 0.00 0.00 61.69 60.27 1j5h s THR 6 Cb -0.27 -1.06 -0.04 0.00 1.34 0.00 0.00 72.50 72.47 1j5h s THR 6 CO 0.26 -0.56 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.93 1j5h s VAL 7 N -3.02 2.94 0.19 2.29 1.01 -1.26 -1.73 120.40 120.82 1j5h s VAL 7 Ca -0.02 -1.42 -0.23 0.00 0.00 0.00 0.00 61.98 60.32 1j5h s VAL 7 Cb 0.01 -2.34 0.10 0.00 0.00 0.00 0.00 36.38 34.15 1j5h s VAL 7 CO -0.06 0.13 1.51 0.41 0.00 0.00 0.00 175.10 177.09 1j5h n THR 8 N 0.88 -0.58 0.00 3.92 -1.04 -0.34 -4.47 114.28 112.64 1j5h n THR 8 Ca -0.15 2.33 0.00 0.00 -2.04 0.00 0.00 64.05 64.18 1j5h n THR 8 Cb 0.53 -2.98 0.00 0.00 -1.82 0.00 0.00 70.33 66.05 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 -5.34 1.58 0.00 -2.82 -0.04 -1.26 -5.04 135.00 122.08 1j5h n PRO 9 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1j5h n PRO 9 Cb 0.33 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 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 0.00 0.00 -3.68 3.54 2.88 -1.26 -5.10 113.62 110.00 1j5h n SER 10 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1j5h n SER 10 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 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 -0.30 -0.16 -1.36 -3.46 1.04 -1.25 -1.96 113.70 106.25 1j5h s SER 11 Ca 0.00 -0.26 -0.01 0.00 0.48 0.00 0.00 55.95 56.16 1j5h s SER 11 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1j5h s SER 11 CO 0.00 -0.66 0.13 0.61 0.98 0.00 0.00 173.24 174.30 1j5h n GLY 12 N -0.43 -0.30 0.00 7.32 0.00 0.44 -4.86 105.19 107.37 1j5h n GLY 12 Ca -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.60 0.00 -3.50 0.99 4.77 -0.64 -4.31 117.00 111.70 1j5h n LEU 13 Ca -0.17 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.72 1j5h n LEU 13 Cb 0.63 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 1j5h n LEU 13 CO 0.27 0.00 0.65 -0.55 -1.33 0.00 0.00 177.39 176.43 1j5h s SER 14 N -1.69 -0.40 -0.85 -1.43 0.15 -1.26 -2.45 113.70 105.77 1j5h s SER 14 Ca 0.00 0.09 -0.21 0.00 0.70 0.00 0.00 55.95 56.53 1j5h s SER 14 Cb 0.00 0.41 -0.20 0.00 -1.71 0.00 0.00 66.02 64.51 1j5h s SER 14 CO 0.00 -0.62 2.34 -0.67 1.20 0.00 0.00 173.24 175.49 1j5h n ASP 15 N -0.07 0.75 -0.18 5.45 4.64 -1.26 0.21 116.55 126.09 1j5h n ASP 15 Ca -0.10 -1.09 0.00 0.00 -1.38 0.00 0.00 54.79 52.21 1j5h n ASP 15 Cb 0.61 -1.28 0.00 0.00 -1.04 0.00 0.00 41.12 39.41 1j5h n ASP 15 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1j5h n GLY 16 N 6.35 0.78 3.51 0.27 0.00 -1.22 -4.74 105.19 110.13 1j5h n GLY 16 Ca 0.54 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 46.13 1j5h n GLY 16 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j5h n THR 17 N -0.49 0.81 -2.14 2.61 -1.04 0.13 -4.57 114.28 109.59 1j5h n THR 17 Ca 0.00 -0.81 -0.31 0.00 -2.04 0.00 0.00 64.05 60.89 1j5h n THR 17 Cb 0.13 -2.09 -0.04 0.00 -1.82 0.00 0.00 70.33 66.50 1j5h n THR 17 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1j5h s VAL 18 N 12.31 3.52 0.28 12.58 1.01 -1.25 -1.68 120.40 147.18 1j5h s VAL 18 Ca 0.73 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1j5h s VAL 18 Cb 0.02 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1j5h s VAL 18 CO 0.19 -1.13 0.03 1.33 0.00 0.00 0.00 175.10 175.52 1j5h n VAL 19 N 7.59 0.00 -3.03 2.92 0.24 -0.61 -4.90 118.33 120.54 1j5h n VAL 19 Ca 0.35 -1.31 -0.40 0.00 -2.04 0.00 0.00 64.34 60.94 1j5h n VAL 19 Cb 0.48 0.21 -0.05 0.00 -1.47 0.00 0.00 33.84 33.01 1j5h n VAL 19 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1j5h s LYS 20 N -3.04 4.27 0.07 7.34 2.20 -1.26 -0.69 119.74 128.64 1j5h s LYS 20 Ca 0.02 0.79 0.04 0.00 -0.36 0.00 0.00 55.97 56.46 1j5h s LYS 20 Cb -0.00 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 1j5h s LYS 20 CO 0.01 -0.24 0.01 0.08 -0.36 0.00 0.00 175.35 174.86 1j5h s VAL 21 N 1.87 4.13 0.05 4.02 1.01 0.22 -1.20 120.40 130.51 1j5h s VAL 21 Ca 0.33 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 1j5h s VAL 21 Cb -0.16 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 1j5h s VAL 21 CO 0.12 0.16 0.05 0.00 0.00 0.00 0.00 175.10 175.42 1j5h s ALA 22 N -1.29 0.20 0.00 5.51 0.00 -0.71 -0.25 121.76 125.22 1j5h s ALA 22 Ca 0.26 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1j5h s ALA 22 Cb -0.12 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1j5h s ALA 22 CO 0.18 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1j5h n GLY 23 N 0.32 -0.84 0.00 0.00 0.00 0.97 -1.70 105.19 103.95 1j5h n GLY 23 Ca -0.16 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 2.48 0.00 1.80 4.61 0.00 -0.50 -1.39 120.51 127.51 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 0.50 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.90 3.86 0.00 0.00 -1.25 -1.32 105.19 105.57 1j5h n GLY 25 Ca 0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.79 -1.45 0.00 0.99 7.94 -1.04 -4.85 117.00 117.80 1j5h n LEU 26 Ca 0.13 -1.05 0.00 0.00 -1.11 0.00 0.00 56.01 53.98 1j5h n LEU 26 Cb 0.06 -1.58 0.00 0.00 0.53 0.00 0.00 43.42 42.43 1j5h n LEU 26 CO 0.09 0.50 0.00 0.00 -1.11 0.00 0.00 177.39 176.87 1j5h n GLN 27 N -3.10 0.00 0.00 1.96 6.02 0.10 -4.66 117.38 117.70 1j5h n GLN 27 Ca -0.29 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.70 1j5h n GLN 27 Cb 0.67 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.93 1j5h n GLN 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1j5h n ALA 28 N -3.00 0.00 -2.38 -1.58 0.00 -1.26 -3.37 120.51 108.92 1j5h n ALA 28 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1j5h n ALA 28 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 0.61 3.45 0.00 0.00 -1.26 -4.85 105.19 103.14 1j5h n GLY 29 Ca 0.00 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.03 2.06 0.76 2.61 2.01 -1.26 -4.86 115.64 113.93 1j5h s THR 30 Ca 0.03 -2.25 -0.13 0.00 0.31 0.00 0.00 61.69 59.65 1j5h s THR 30 Cb -0.01 -2.37 0.06 0.00 0.01 0.00 0.00 72.50 70.19 1j5h s THR 30 CO 0.07 -0.37 1.17 0.00 -0.69 0.00 0.00 174.62 174.80 1j5h s ALA 31 N -2.76 2.05 -0.41 7.40 0.00 -1.26 -0.91 121.76 125.88 1j5h s ALA 31 Ca 0.29 0.70 0.07 0.00 0.00 0.00 0.00 51.96 53.01 1j5h s ALA 31 Cb -0.00 -3.42 0.22 0.00 0.00 0.00 0.00 23.12 19.92 1j5h s ALA 31 CO 0.13 -1.96 0.50 0.66 0.00 0.00 0.00 175.76 175.09 1j5h n TYR 32 N -3.09 -0.97 -1.63 0.00 4.01 0.22 -4.61 117.16 111.09 1j5h n TYR 32 Ca 0.12 -3.22 -0.43 0.00 -0.16 0.00 0.00 57.90 54.22 1j5h n TYR 32 Cb 0.51 0.10 -0.03 0.00 -0.31 0.00 0.00 39.34 39.61 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 1.96 3.66 -4.36 7.72 9.92 0.59 -1.38 116.55 134.66 1j5h n ASP 33 Ca 0.23 0.50 -0.36 0.00 -0.53 0.00 0.00 54.79 54.63 1j5h n ASP 33 Cb 0.52 -1.55 0.07 0.00 -0.64 0.00 0.00 41.12 39.53 1j5h n ASP 33 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1j5h n VAL 34 N 6.82 0.90 0.00 2.53 0.31 0.37 -0.67 118.33 128.60 1j5h n VAL 34 Ca 0.26 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1j5h n VAL 34 Cb 0.43 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 1j5h n VAL 34 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j5h n GLY 35 N 1.97 0.26 1.57 2.92 0.00 -0.43 -4.61 105.19 106.86 1j5h n GLY 35 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.09 1j5h n GLY 35 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1j5h n GLN 36 N -0.43 -1.90 -4.28 1.61 7.27 -1.16 -4.25 117.38 114.25 1j5h n GLN 36 Ca 0.00 1.70 -0.27 0.00 0.07 0.00 0.00 57.00 58.51 1j5h n GLN 36 Cb 0.00 -2.15 -0.06 0.00 2.41 0.00 0.00 30.24 30.44 1j5h n GLN 36 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1j5h s ALA 38 N -2.84 0.80 -0.00 0.00 0.00 0.14 0.60 121.76 120.46 1j5h s ALA 38 Ca 0.06 -1.20 -0.30 0.00 0.00 0.00 0.00 51.96 50.52 1j5h s ALA 38 Cb 0.00 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 1j5h s ALA 38 CO 0.04 -1.65 1.01 1.67 0.00 0.00 0.00 175.76 176.83 1j5h s TRP 39 N 2.00 3.62 -0.05 0.00 1.48 -1.26 -0.64 118.94 124.10 1j5h s TRP 39 Ca 0.09 1.64 0.01 0.00 -1.06 0.00 0.00 56.10 56.79 1j5h s TRP 39 Cb -0.16 -3.16 -0.04 0.00 -1.16 0.00 0.00 33.47 28.95 1j5h s TRP 39 CO -0.34 -0.17 -0.03 0.28 -4.06 0.00 0.00 176.95 172.63 1j5h n VAL 40 N 3.96 0.29 -3.69 -0.66 0.31 0.54 -4.67 118.33 114.42 1j5h n VAL 40 Ca 0.07 -0.13 -0.02 0.00 -0.01 0.00 0.00 64.34 64.24 1j5h n VAL 40 Cb 0.50 -0.75 0.01 0.00 -0.91 0.00 0.00 33.84 32.69 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 -2.48 -1.03 -4.56 4.52 2.03 -1.19 -4.94 116.55 108.91 1j5h n ASP 41 Ca -0.08 -1.55 -0.16 0.00 0.52 0.00 0.00 54.79 53.51 1j5h n ASP 41 Cb 0.61 1.67 -0.06 0.00 -0.72 0.00 0.00 41.12 42.62 1j5h n ASP 41 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1j5h s THR 42 N -2.29 3.06 0.00 5.18 2.01 -1.26 -0.19 115.64 122.15 1j5h s THR 42 Ca 0.13 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.09 1j5h s THR 42 Cb -0.02 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.36 1j5h s THR 42 CO 0.03 -0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.45 1j5h n GLY 43 N 6.77 0.31 2.36 4.40 0.00 -1.26 -4.94 105.19 112.83 1j5h n GLY 43 Ca 0.45 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 3.36 -3.80 1.61 0.31 0.73 -4.85 118.33 113.69 1j5h n VAL 44 Ca 0.00 -2.89 -0.36 0.00 -0.01 0.00 0.00 64.34 61.08 1j5h n VAL 44 Cb 0.00 -1.29 -0.13 0.00 -0.91 0.00 0.00 33.84 31.51 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 -3.10 3.53 -0.30 7.52 0.20 -1.25 -0.34 118.68 124.94 1j5h s LEU 45 Ca 0.53 -0.57 -0.10 0.00 0.69 0.00 0.00 54.13 54.68 1j5h s LEU 45 Cb 0.41 -1.84 -0.02 0.00 -0.43 0.00 0.00 46.19 44.30 1j5h s LEU 45 CO -0.13 -0.12 0.16 0.00 -0.29 0.00 0.00 176.35 175.97 1j5h s ALA 46 N 1.50 3.34 0.90 5.97 0.00 0.19 -4.08 121.76 129.59 1j5h s ALA 46 Ca 0.04 -1.28 -0.12 0.00 0.00 0.00 0.00 51.96 50.59 1j5h s ALA 46 Cb -0.16 -2.39 0.13 0.00 0.00 0.00 0.00 23.12 20.70 1j5h s ALA 46 CO 0.01 -0.77 1.11 0.00 0.00 0.00 0.00 175.76 176.10 1j5h n ASN 48 N -3.82 3.77 -0.87 0.00 2.85 0.14 -1.27 115.26 116.06 1j5h n ASN 48 Ca 0.06 -3.44 0.00 0.00 -0.11 0.00 0.00 54.58 51.09 1j5h n ASN 48 Cb 0.57 -0.68 0.00 0.00 1.24 0.00 0.00 39.78 40.91 1j5h n ASN 48 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1j5h n PRO 49 N 0.89 0.74 -0.01 1.20 -0.04 -1.26 -2.54 135.00 133.99 1j5h n PRO 49 Ca 0.30 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.84 1j5h n PRO 49 Cb 0.41 -1.19 -0.13 0.00 -0.04 0.00 0.00 33.50 32.55 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 0.50 3.05 0.23 0.55 0.00 -1.26 -4.55 120.51 119.03 1j5h n ALA 50 Ca 0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 53.44 52.90 1j5h n ALA 50 Cb 0.32 -0.62 -0.05 0.00 0.00 0.00 0.00 19.45 19.11 1j5h n ALA 50 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1j5h h ASP 51 N 0.00 -0.53 0.00 0.00 3.58 -1.78 -3.46 116.42 114.23 1j5h h ASP 51 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1j5h h ASP 51 Cb 0.73 0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.92 1j5h h ASP 51 CO 0.00 -0.25 0.00 0.33 -2.88 0.00 0.00 179.24 176.44 1j5h n PHE 52 N -4.44 0.00 -0.77 0.28 7.35 -1.26 -4.96 117.46 113.65 1j5h n PHE 52 Ca -0.08 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.35 1j5h n PHE 52 Cb 0.25 -0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.10 1j5h n PHE 52 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1j5h n SER 53 N 0.75 -3.47 -3.54 -2.13 7.64 -1.26 -4.45 113.62 107.16 1j5h n SER 53 Ca 0.00 0.27 -0.17 0.00 1.01 0.00 0.00 58.87 59.98 1j5h n SER 53 Cb 0.00 -0.55 -0.06 0.00 -1.01 0.00 0.00 64.21 62.58 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 -0.69 -0.68 0.00 6.43 1.04 -1.26 0.14 113.70 118.68 1j5h s SER 54 Ca 0.33 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.64 1j5h s SER 54 Cb -0.22 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1j5h s SER 54 CO 0.52 -0.53 0.00 0.55 0.98 0.00 0.00 173.24 174.76 1j5h n VAL 55 N 1.30 0.00 -4.12 5.02 3.14 -0.48 -4.84 118.33 118.35 1j5h n VAL 55 Ca -0.18 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.12 1j5h n VAL 55 Cb 0.57 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.25 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 -1.59 0.41 0.16 1.55 2.01 -1.26 0.68 115.64 117.60 1j5h s THR 56 Ca 0.00 -1.83 -0.03 0.00 0.31 0.00 0.00 61.69 60.14 1j5h s THR 56 Cb 0.00 -1.55 0.04 0.00 0.01 0.00 0.00 72.50 71.00 1j5h s THR 56 CO 0.00 -0.93 0.18 0.00 -0.69 0.00 0.00 174.62 173.18 1j5h n ALA 57 N 0.10 -0.35 -3.23 7.40 0.00 -0.08 -3.63 120.51 120.71 1j5h n ALA 57 Ca -0.14 -0.25 -0.13 0.00 0.00 0.00 0.00 53.44 52.92 1j5h n ALA 57 Cb 0.61 -0.01 -0.13 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.83 -0.17 0.00 0.00 1.47 0.57 -4.69 116.67 112.03 1j5h s ASP 58 Ca 0.11 0.34 0.00 0.00 1.18 0.00 0.00 52.55 54.18 1j5h s ASP 58 Cb -0.01 0.32 0.00 0.00 -0.34 0.00 0.00 42.92 42.89 1j5h s ASP 58 CO 0.08 -0.08 0.00 0.00 0.68 0.00 0.00 175.17 175.85 1j5h n ALA 59 N 3.32 0.00 0.00 2.11 0.00 -1.26 0.46 120.51 125.14 1j5h n ALA 59 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1j5h n ALA 59 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -4.85 115.26 114.30 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 1.01 3.74 8.20 0.00 0.17 -4.29 105.19 114.03 1j5h n GLY 61 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.65 7.59 0.73 1.61 0.15 -1.19 0.03 113.70 120.98 1j5h s SER 62 Ca 0.00 1.89 -0.08 0.00 0.70 0.00 0.00 55.95 58.46 1j5h s SER 62 Cb 0.00 -2.60 0.06 0.00 -1.71 0.00 0.00 66.02 61.77 1j5h s SER 62 CO 0.00 0.08 1.06 0.00 1.20 0.00 0.00 173.24 175.58 1j5h s ALA 63 N -0.77 3.02 -0.30 5.45 0.00 -0.49 0.21 121.76 128.88 1j5h s ALA 63 Ca 0.43 -0.84 -0.09 0.00 0.00 0.00 0.00 51.96 51.46 1j5h s ALA 63 Cb -0.25 -2.70 0.18 0.00 0.00 0.00 0.00 23.12 20.35 1j5h s ALA 63 CO 0.31 -1.39 0.88 -1.12 0.00 0.00 0.00 175.76 174.44 1j5h s SER 64 N -4.53 -0.80 0.00 0.00 0.01 -1.24 -0.02 113.70 107.12 1j5h s SER 64 Ca 0.60 0.57 0.00 0.00 1.31 0.00 0.00 55.95 58.43 1j5h s SER 64 Cb -0.11 1.70 0.00 0.00 0.21 0.00 0.00 66.02 67.82 1j5h s SER 64 CO 0.46 -0.15 0.00 1.07 0.41 0.00 0.00 173.24 175.03 1j5h n THR 65 N 5.41 0.00 -3.92 1.44 5.66 0.66 -4.82 114.28 118.71 1j5h n THR 65 Ca -0.05 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.72 1j5h n THR 65 Cb 0.53 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 69.13 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 2.00 1.49 0.24 1.09 0.01 -1.26 0.73 113.70 117.99 1j5h s SER 66 Ca 0.00 -0.14 0.10 0.00 1.31 0.00 0.00 55.95 57.23 1j5h s SER 66 Cb 0.00 -0.51 -0.04 0.00 0.21 0.00 0.00 66.02 65.67 1j5h s SER 66 CO 0.00 -0.14 -0.11 -0.76 0.41 0.00 0.00 173.24 172.64 1j5h s LEU 67 N 1.59 2.88 -0.76 2.44 1.02 0.13 -4.86 118.68 121.12 1j5h s LEU 67 Ca -0.00 -0.75 -0.17 0.00 0.02 0.00 0.00 54.13 53.23 1j5h s LEU 67 Cb -0.13 -1.47 0.15 0.00 0.02 0.00 0.00 46.19 44.76 1j5h s LEU 67 CO -0.04 0.06 0.83 0.28 0.02 0.00 0.00 176.35 177.50 1j5h s THR 68 N -2.11 5.09 -0.94 5.49 -1.32 -1.26 -1.58 115.64 119.02 1j5h s THR 68 Ca 0.28 -1.69 -0.16 0.00 -1.21 0.00 0.00 61.69 58.91 1j5h s THR 68 Cb -0.07 -4.55 -0.10 0.00 -1.51 0.00 0.00 72.50 66.27 1j5h s THR 68 CO 0.16 -1.18 2.07 0.52 -2.21 0.00 0.00 174.62 173.97 1j5h n VAL 69 N 4.97 2.32 -1.68 5.08 0.31 -0.67 -4.73 118.33 123.93 1j5h n VAL 69 Ca 0.07 -1.77 -0.41 0.00 -0.01 0.00 0.00 64.34 62.22 1j5h n VAL 69 Cb 0.46 -2.31 0.01 0.00 -0.91 0.00 0.00 33.84 31.08 1j5h n VAL 69 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1j5h n ARG 70 N 5.89 1.78 -0.01 5.55 1.85 -1.26 -1.79 116.66 128.67 1j5h n ARG 70 Ca 0.50 0.63 -0.01 0.00 -1.00 0.00 0.00 57.85 57.97 1j5h n ARG 70 Cb 0.31 -2.28 -0.00 0.00 -1.05 0.00 0.00 32.46 29.44 1j5h n ARG 70 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1j5h n ARG 71 N 0.13 0.06 -3.46 2.89 0.00 -1.25 -4.66 116.66 110.37 1j5h n ARG 71 Ca 0.07 0.05 -0.38 0.00 -0.00 0.00 0.00 57.85 57.59 1j5h n ARG 71 Cb 0.39 -0.64 -0.09 0.00 0.00 0.00 0.00 32.46 32.13 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 -4.20 6.27 0.22 6.15 0.15 -1.26 -0.85 113.70 120.19 1j5h s SER 72 Ca -0.03 0.31 -0.09 0.00 0.70 0.00 0.00 55.95 56.84 1j5h s SER 72 Cb 0.00 -2.19 0.04 0.00 -1.71 0.00 0.00 66.02 62.16 1j5h s SER 72 CO 0.05 -0.08 0.48 2.22 1.20 0.00 0.00 173.24 177.11 1j5h n PHE 73 N 4.76 -1.75 -3.90 3.44 -1.74 -0.51 -4.89 117.46 112.87 1j5h n PHE 73 Ca -0.10 -1.07 -0.31 0.00 -0.56 0.00 0.00 57.45 55.41 1j5h n PHE 73 Cb 0.51 0.53 -0.13 0.00 1.52 0.00 0.00 39.48 41.92 1j5h n PHE 73 CO 0.00 0.00 0.00 -1.83 -0.56 0.00 0.00 176.76 174.37 1j5h s GLU 74 N -2.05 2.18 0.90 3.97 1.03 -1.22 -1.00 118.70 122.51 1j5h s GLU 74 Ca 0.10 -2.76 -0.11 0.00 0.03 0.00 0.00 54.97 52.23 1j5h s GLU 74 Cb -0.03 -3.41 0.19 0.00 -0.80 0.00 0.00 34.13 30.08 1j5h s GLU 74 CO 0.07 -1.15 1.24 0.20 -1.33 0.00 0.00 175.26 174.28 1j5h s GLY 75 N -0.36 1.79 -0.00 -3.83 0.00 -1.26 -4.59 107.32 99.07 1j5h s GLY 75 Ca 0.19 -1.49 0.01 0.00 0.00 0.00 0.00 44.72 43.42 1j5h s GLY 75 CO -0.04 -0.74 -0.02 -0.12 0.00 0.00 0.00 173.10 172.18 1j5h s PHE 76 N -3.68 0.17 -0.05 1.90 2.19 -0.39 0.32 117.98 118.44 1j5h s PHE 76 Ca 0.73 -0.03 -0.24 0.00 0.33 0.00 0.00 56.93 57.72 1j5h s PHE 76 Cb -0.03 -0.11 -0.23 0.00 -1.31 0.00 0.00 43.02 41.34 1j5h s PHE 76 CO 0.51 -0.00 1.05 -0.07 1.83 0.00 0.00 175.22 178.53 1j5h h LEU 77 N 6.12 0.22 0.00 6.12 4.07 -1.41 0.43 115.31 130.85 1j5h h LEU 77 Ca -0.26 -0.75 0.00 0.00 0.08 0.00 0.00 57.88 56.95 1j5h h LEU 77 Cb 1.20 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.88 1j5h h LEU 77 CO 0.51 0.94 0.00 0.33 -1.08 0.00 0.00 178.44 179.13 1j5h n PHE 78 N -4.53 0.00 -1.96 1.13 -0.00 -1.26 -4.74 117.46 106.11 1j5h n PHE 78 Ca -0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.33 1j5h n PHE 78 Cb 0.48 -0.26 -0.00 0.00 -0.00 0.00 0.00 39.48 39.70 1j5h n PHE 78 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1j5h n ASP 79 N 1.04 -0.43 0.06 -2.13 2.03 -1.26 -5.02 116.55 110.84 1j5h n ASP 79 Ca 0.00 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.34 1j5h n ASP 79 Cb 0.00 0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 1j5h n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j5h n GLY 80 N -0.18 -1.75 3.81 0.27 0.00 -1.26 -5.07 105.19 101.00 1j5h n GLY 80 Ca -0.09 0.56 0.03 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.63 0.00 -0.02 2.61 2.01 -1.26 -5.06 115.64 112.29 1j5h s THR 81 Ca 0.00 -0.13 -0.19 0.00 0.31 0.00 0.00 61.69 61.68 1j5h s THR 81 Cb 0.00 -2.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.95 1j5h s THR 81 CO 0.00 0.00 0.54 -0.60 -0.69 0.00 0.00 174.62 173.87 1j5h s ARG 82 N -2.13 4.26 0.00 4.92 3.52 -1.26 -1.49 118.95 126.77 1j5h s ARG 82 Ca 0.23 0.63 0.00 0.00 -0.13 0.00 0.00 55.73 56.45 1j5h s ARG 82 Cb 0.03 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 30.08 1j5h s ARG 82 CO -0.03 0.38 0.53 1.87 -0.81 0.00 0.00 175.30 177.25 1j5h n TRP 83 N 2.75 0.00 0.00 5.12 -0.00 0.15 -4.94 117.44 120.52 1j5h n TRP 83 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.42 1j5h n TRP 83 Cb 0.51 -0.03 0.00 0.00 -0.00 0.00 0.00 31.31 31.79 1j5h n TRP 83 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1j5h n GLY 84 N -0.60 3.36 3.27 5.87 0.00 -1.22 -4.86 105.19 111.01 1j5h n GLY 84 Ca 0.00 -1.93 -0.28 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.09 0.15 -4.42 2.61 5.66 -1.21 -3.41 114.28 112.57 1j5h n THR 85 Ca 0.00 -0.11 -0.24 0.00 -3.05 0.00 0.00 64.05 60.64 1j5h n THR 85 Cb 0.00 -1.84 -0.09 0.00 -1.55 0.00 0.00 70.33 66.85 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 6.07 2.68 -0.09 1.08 0.11 -0.17 -4.78 120.40 125.30 1j5h s VAL 86 Ca 0.42 -2.20 -0.30 0.00 -2.93 0.00 0.00 61.98 56.98 1j5h s VAL 86 Cb 0.09 -2.55 -0.03 0.00 -1.53 0.00 0.00 36.38 32.36 1j5h s VAL 86 CO 0.20 -0.33 1.33 -1.81 -3.33 0.00 0.00 175.10 171.16 1j5h s ASP 87 N -3.60 6.91 0.24 3.54 -0.00 -1.26 -1.42 116.67 121.08 1j5h s ASP 87 Ca 0.31 1.88 0.12 0.00 -0.00 0.00 0.00 52.55 54.86 1j5h s ASP 87 Cb -0.03 -2.55 0.16 0.00 -0.00 0.00 0.00 42.92 40.50 1j5h s ASP 87 CO 0.17 -0.73 1.49 0.00 -0.00 0.00 0.00 175.17 176.09 1j5h h THR 89 N 0.00 0.08 0.00 0.00 1.03 -1.79 2.56 112.91 114.78 1j5h h THR 89 Ca -0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.37 1j5h h THR 89 Cb 1.35 0.46 -0.00 0.00 -1.07 0.00 0.00 68.15 68.89 1j5h h THR 89 CO 0.09 0.00 -0.12 0.74 -0.01 0.00 0.00 175.52 176.22 1j5h h THR 90 N 0.00 0.21 0.00 0.00 2.02 -1.87 -3.20 112.91 110.08 1j5h h THR 90 Ca 0.09 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 66.01 1j5h h THR 90 Cb 1.25 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 69.72 1j5h h THR 90 CO -0.00 0.12 -0.04 0.00 0.37 0.00 0.00 175.52 175.97 1j5h n ALA 91 N -2.13 2.09 -3.05 6.16 0.00 0.80 -5.03 120.51 119.34 1j5h n ALA 91 Ca 0.03 -1.85 -0.30 0.00 0.00 0.00 0.00 53.44 51.32 1j5h n ALA 91 Cb 0.56 -0.24 0.03 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.94 -2.06 -0.79 0.00 0.00 0.23 -4.41 120.51 112.54 1j5h n ALA 92 Ca 0.09 0.20 -0.30 0.00 0.00 0.00 0.00 53.44 53.43 1j5h n ALA 92 Cb 0.51 -1.60 0.25 0.00 0.00 0.00 0.00 19.45 18.60 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 -5.09 1.42 -0.16 0.00 -2.07 0.20 -1.78 119.66 112.19 1j5h s GLN 94 Ca 0.69 -0.60 0.01 0.00 -1.82 0.00 0.00 55.36 53.64 1j5h s GLN 94 Cb -0.15 -1.35 0.02 0.00 -1.09 0.00 0.00 33.01 30.44 1j5h s GLN 94 CO 0.58 0.34 -0.19 0.54 -1.32 0.00 0.00 175.29 175.25 1j5h s VAL 95 N -0.32 1.90 0.26 3.63 0.11 -0.77 -0.02 120.40 125.18 1j5h s VAL 95 Ca 0.05 -0.85 -0.21 0.00 -2.93 0.00 0.00 61.98 58.03 1j5h s VAL 95 Cb -0.07 -1.72 0.03 0.00 -1.53 0.00 0.00 36.38 33.09 1j5h s VAL 95 CO -0.00 0.51 0.79 -0.83 -3.33 0.00 0.00 175.10 172.24 1j5h s GLY 96 N 1.21 -0.07 0.25 6.54 0.00 -1.26 -2.97 107.32 111.01 1j5h s GLY 96 Ca 0.02 -0.26 0.02 0.00 0.00 0.00 0.00 44.72 44.50 1j5h s GLY 96 CO -0.09 -0.03 0.41 1.08 0.00 0.00 0.00 173.10 174.47 1j5h s LEU 97 N -2.95 4.21 0.18 0.66 1.02 -1.26 -1.32 118.68 119.22 1j5h s LEU 97 Ca 0.12 0.29 -0.15 0.00 0.02 0.00 0.00 54.13 54.41 1j5h s LEU 97 Cb -0.05 -3.09 0.02 0.00 0.02 0.00 0.00 46.19 43.09 1j5h s LEU 97 CO 0.06 -0.11 0.45 -0.55 0.02 0.00 0.00 176.35 176.22 1j5h s SER 98 N -3.64 -0.18 1.09 2.29 0.15 0.16 -4.48 113.70 109.09 1j5h s SER 98 Ca 0.37 -0.55 -0.21 0.00 0.70 0.00 0.00 55.95 56.25 1j5h s SER 98 Cb -0.10 0.53 0.02 0.00 -1.71 0.00 0.00 66.02 64.76 1j5h s SER 98 CO 0.31 -0.98 -0.43 0.47 1.20 0.00 0.00 173.24 173.80 1j5h n ASP 99 N -0.29 -2.55 0.15 5.45 9.92 -1.25 0.22 116.55 128.19 1j5h n ASP 99 Ca -0.10 -0.10 0.10 0.00 -0.53 0.00 0.00 54.79 54.17 1j5h n ASP 99 Cb 0.63 -0.83 0.54 0.00 -0.64 0.00 0.00 41.12 40.82 1j5h n ASP 99 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1j5h n ALA 100 N -4.19 1.08 0.90 2.24 0.00 -1.26 0.91 120.51 120.19 1j5h n ALA 100 Ca -0.00 0.18 0.09 0.00 0.00 0.00 0.00 53.44 53.71 1j5h n ALA 100 Cb 0.66 -1.30 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.76 4.12 -2.67 0.00 0.00 -1.26 -4.97 120.51 113.98 1j5h n ALA 101 Ca -0.01 -0.56 -0.09 0.00 0.00 0.00 0.00 53.44 52.78 1j5h n ALA 101 Cb 0.05 -0.70 0.02 0.00 0.00 0.00 0.00 19.45 18.82 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 1.41 0.28 3.85 0.00 0.00 0.26 -5.02 105.19 105.97 1j5h n GLY 102 Ca 0.05 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 1j5h n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j5h s ASN 103 N -2.97 6.76 -0.19 1.61 0.01 -1.26 -4.51 114.94 114.40 1j5h s ASN 103 Ca 0.15 1.37 -0.00 0.00 -0.71 0.00 0.00 52.86 53.66 1j5h s ASN 103 Cb -0.07 -2.41 -0.00 0.00 0.41 0.00 0.00 41.25 39.18 1j5h s ASN 103 CO 0.18 -0.29 0.18 0.61 -1.51 0.00 0.00 177.10 176.27 1j5h n GLY 104 N -0.64 -0.37 3.73 0.66 0.00 -1.26 -3.87 105.19 103.44 1j5h n GLY 104 Ca 0.04 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.06 4.51 0.00 1.61 0.04 -1.26 -3.90 135.00 132.95 1j5h s PRO 105 Ca 0.02 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1j5h s PRO 105 Cb -0.00 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1j5h s PRO 105 CO 0.18 -0.10 0.00 0.39 0.04 0.00 0.00 177.00 177.51 1j5h n GLU 106 N 3.15 0.00 0.00 4.56 -0.58 -1.26 -4.71 120.64 121.80 1j5h n GLU 106 Ca 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1j5h n GLU 106 Cb 0.46 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.33 1j5h n GLU 106 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j5h n GLY 107 N 0.00 -0.75 3.15 0.62 0.00 -1.26 -4.40 105.19 102.56 1j5h n GLY 107 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1j5h n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j5h s VAL 108 N 0.00 -0.59 -0.60 1.61 0.11 -1.16 -4.32 120.40 115.46 1j5h s VAL 108 Ca 0.00 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.78 1j5h s VAL 108 Cb 0.00 -0.99 -0.02 0.00 -1.53 0.00 0.00 36.38 33.84 1j5h s VAL 108 CO 0.00 0.00 1.87 0.00 -3.33 0.00 0.00 175.10 173.64 1j5h s ALA 109 N 2.92 2.18 0.20 1.54 0.00 -1.26 -1.85 121.76 125.49 1j5h s ALA 109 Ca 0.08 -0.60 0.08 0.00 0.00 0.00 0.00 51.96 51.52 1j5h s ALA 109 Cb -0.12 -4.29 -0.04 0.00 0.00 0.00 0.00 23.12 18.66 1j5h s ALA 109 CO -0.15 -3.87 -0.03 0.42 0.00 0.00 0.00 175.76 172.14 1j5h s ILE 110 N 9.09 3.50 -0.41 0.00 1.01 -0.73 -4.96 121.20 128.70 1j5h s ILE 110 Ca 0.69 -1.63 -0.24 0.00 0.00 0.00 0.00 60.65 59.46 1j5h s ILE 110 Cb -0.13 -2.79 0.02 0.00 0.01 0.00 0.00 42.46 39.57 1j5h s ILE 110 CO 0.21 -0.19 0.85 -0.44 0.00 0.00 0.00 174.94 175.37 1j5h s SER 111 N -3.13 6.53 -0.10 3.58 0.01 -0.83 -4.06 113.70 115.70 1j5h s SER 111 Ca 0.28 0.23 -0.20 0.00 1.31 0.00 0.00 55.95 57.58 1j5h s SER 111 Cb -0.08 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 1j5h s SER 111 CO 0.18 -0.88 0.54 -0.36 0.41 0.00 0.00 173.24 173.13 1j5h s PHE 112 N 3.39 3.53 0.00 2.43 0.40 -1.26 0.17 117.98 126.64 1j5h s PHE 112 Ca 0.34 0.99 0.00 0.00 -0.60 0.00 0.00 56.93 57.66 1j5h s PHE 112 Cb -0.12 -2.63 0.00 0.00 0.51 0.00 0.00 43.02 40.78 1j5h s PHE 112 CO 0.21 0.14 0.00 -1.71 0.70 0.00 0.00 175.22 174.56