#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5h h ALA 2 N 0.00 0.04 -3.00 0.00 0.00 -2.00 -3.41 119.26 110.89 1j5h h ALA 2 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1j5h h ALA 2 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1j5h h ALA 2 CO 0.00 0.70 0.00 -0.35 0.00 0.00 0.00 179.25 179.60 1j5h n PRO 3 N -3.80 0.00 -1.01 0.00 -0.04 -1.26 -5.07 135.00 123.82 1j5h n PRO 3 Ca -0.13 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.34 1j5h n PRO 3 Cb 0.96 -0.16 -0.01 0.00 -0.04 0.00 0.00 33.50 34.25 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 -0.04 -1.79 -2.59 0.52 -2.24 0.15 -4.48 114.28 103.81 1j5h n THR 4 Ca 0.00 0.92 -0.42 0.00 -2.27 0.00 0.00 64.05 62.27 1j5h n THR 4 Cb 0.00 -1.52 -0.03 0.00 -2.10 0.00 0.00 70.33 66.68 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 -4.84 3.41 0.03 6.98 0.00 -1.25 0.26 121.76 126.35 1j5h s ALA 5 Ca 0.00 0.52 -0.16 0.00 0.00 0.00 0.00 51.96 52.31 1j5h s ALA 5 Cb 0.00 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.69 1j5h s ALA 5 CO 0.00 -0.61 0.36 0.95 0.00 0.00 0.00 175.76 176.46 1j5h s THR 6 N 1.90 0.07 -0.24 0.00 -4.23 -0.46 -4.79 115.64 107.90 1j5h s THR 6 Ca 0.52 -0.54 -0.10 0.00 -1.18 0.00 0.00 61.69 60.40 1j5h s THR 6 Cb -0.22 -0.89 -0.05 0.00 1.34 0.00 0.00 72.50 72.69 1j5h s THR 6 CO 0.21 -0.30 0.14 0.54 -0.54 0.00 0.00 174.62 174.68 1j5h s VAL 7 N -2.27 5.17 0.12 2.29 0.11 -1.26 -1.19 120.40 123.36 1j5h s VAL 7 Ca -0.07 0.11 -0.18 0.00 -2.93 0.00 0.00 61.98 58.92 1j5h s VAL 7 Cb -0.02 -3.40 0.01 0.00 -1.53 0.00 0.00 36.38 31.44 1j5h s VAL 7 CO -0.01 0.35 1.01 0.41 -3.33 0.00 0.00 175.10 173.53 1j5h n THR 8 N 4.32 -0.42 -0.19 5.04 -1.04 -0.58 -4.37 114.28 117.03 1j5h n THR 8 Ca -0.15 1.58 0.00 0.00 -2.04 0.00 0.00 64.05 63.43 1j5h n THR 8 Cb 0.52 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 67.05 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 -4.86 0.61 -0.65 -2.82 -0.04 -1.26 -5.05 135.00 120.93 1j5h n PRO 9 Ca 0.03 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.46 1j5h n PRO 9 Cb 0.20 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.63 1j5h n PRO 9 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1j5h n SER 10 N -0.78 -0.38 0.00 3.54 3.41 -1.26 -5.02 113.62 113.13 1j5h n SER 10 Ca 0.00 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 1j5h n SER 10 Cb 0.00 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1j5h n SER 10 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1j5h n SER 11 N 0.00 0.00 0.22 4.04 3.41 -1.26 -1.66 113.62 118.37 1j5h n SER 11 Ca -0.11 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.68 1j5h n SER 11 Cb 0.42 0.00 0.85 0.00 -0.26 0.00 0.00 64.21 65.22 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 0.00 0.00 -1.49 5.00 0.00 -1.86 -3.44 103.07 101.28 1j5h h GLY 12 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1j5h h GLY 12 CO 0.00 0.00 -0.12 1.04 0.00 0.00 0.00 176.54 177.46 1j5h n LEU 13 N -3.60 -0.45 -3.71 3.11 4.77 -0.60 -4.82 117.00 111.69 1j5h n LEU 13 Ca 0.01 0.17 -0.22 0.00 -0.03 0.00 0.00 56.01 55.94 1j5h n LEU 13 Cb 0.35 -1.32 -0.18 0.00 -2.33 0.00 0.00 43.42 39.94 1j5h n LEU 13 CO 0.25 -0.38 -0.36 -0.55 -1.33 0.00 0.00 177.39 175.02 1j5h s SER 14 N -1.54 1.48 -0.70 -1.43 0.15 -1.26 -3.52 113.70 106.88 1j5h s SER 14 Ca 0.00 -0.07 -0.25 0.00 0.70 0.00 0.00 55.95 56.33 1j5h s SER 14 Cb 0.00 -0.29 -0.14 0.00 -1.71 0.00 0.00 66.02 63.88 1j5h s SER 14 CO 0.00 -0.23 2.45 -0.67 1.20 0.00 0.00 173.24 175.98 1j5h n ASP 15 N 5.22 1.49 -0.02 5.45 4.64 -1.26 0.16 116.55 132.24 1j5h n ASP 15 Ca -0.05 -0.64 0.00 0.00 -1.38 0.00 0.00 54.79 52.72 1j5h n ASP 15 Cb 0.50 -1.40 0.00 0.00 -1.04 0.00 0.00 41.12 39.18 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 6.25 1.26 3.52 0.27 0.00 -0.90 -4.64 105.19 110.96 1j5h n GLY 16 Ca 0.47 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.42 1.52 -1.65 2.61 -1.04 0.12 -4.23 114.28 111.19 1j5h n THR 17 Ca 0.00 -1.55 -0.24 0.00 -2.04 0.00 0.00 64.05 60.22 1j5h n THR 17 Cb 0.03 -2.15 -0.05 0.00 -1.82 0.00 0.00 70.33 66.33 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 11.29 3.08 0.34 12.58 1.01 -1.24 -1.78 120.40 145.68 1j5h s VAL 18 Ca 0.69 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.69 1j5h s VAL 18 Cb 0.01 -3.19 0.04 0.00 0.00 0.00 0.00 36.38 33.24 1j5h s VAL 18 CO 0.15 -0.18 0.34 1.33 0.00 0.00 0.00 175.10 176.74 1j5h n VAL 19 N 8.32 0.00 -2.89 2.92 0.24 -0.77 -4.76 118.33 121.40 1j5h n VAL 19 Ca 0.41 -1.28 -0.43 0.00 -2.04 0.00 0.00 64.34 60.99 1j5h n VAL 19 Cb 0.48 -0.39 -0.05 0.00 -1.47 0.00 0.00 33.84 32.42 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 -3.47 3.46 -0.22 7.34 2.20 -1.26 -1.34 119.74 126.45 1j5h s LYS 20 Ca 0.26 0.01 -0.09 0.00 -0.36 0.00 0.00 55.97 55.79 1j5h s LYS 20 Cb -0.02 -3.94 -0.04 0.00 -1.51 0.00 0.00 37.83 32.32 1j5h s LYS 20 CO 0.16 -1.19 0.11 0.54 -0.36 0.00 0.00 175.35 174.62 1j5h s VAL 21 N 3.55 5.00 0.12 4.02 0.11 0.24 -1.53 120.40 131.90 1j5h s VAL 21 Ca 0.33 0.05 0.04 0.00 -2.93 0.00 0.00 61.98 59.47 1j5h s VAL 21 Cb -0.11 -3.30 -0.04 0.00 -1.53 0.00 0.00 36.38 31.39 1j5h s VAL 21 CO 0.24 0.39 -0.09 0.00 -3.33 0.00 0.00 175.10 172.31 1j5h s ALA 22 N 0.90 1.26 0.00 1.54 0.00 -0.33 -0.58 121.76 124.54 1j5h s ALA 22 Ca 0.06 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1j5h s ALA 22 Cb -0.13 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.06 1j5h s ALA 22 CO 0.03 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1j5h n GLY 23 N -0.02 0.54 0.00 0.00 0.00 0.60 -1.36 105.19 104.95 1j5h n GLY 23 Ca -0.12 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.88 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 1.09 0.00 0.15 4.61 0.00 0.14 -1.23 120.51 125.28 1j5h n ALA 24 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1j5h n ALA 24 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.23 3.59 0.00 0.00 -1.26 0.30 105.19 107.58 1j5h n GLY 25 Ca 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.14 -3.38 0.00 0.99 7.94 -1.10 -4.91 117.00 115.39 1j5h n LEU 26 Ca 0.02 -0.81 0.00 0.00 -1.11 0.00 0.00 56.01 54.11 1j5h n LEU 26 Cb 0.02 -2.37 0.00 0.00 0.53 0.00 0.00 43.42 41.59 1j5h n LEU 26 CO 0.02 0.12 0.00 0.00 -1.11 0.00 0.00 177.39 176.41 1j5h n GLN 27 N -3.29 0.00 0.00 1.96 6.02 -0.06 -4.55 117.38 117.47 1j5h n GLN 27 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 1j5h n GLN 27 Cb 0.60 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.86 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 -1.22 -1.58 0.00 -1.26 -3.56 120.51 109.89 1j5h n ALA 28 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1j5h n ALA 28 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.86 3.70 0.00 0.00 -1.25 -4.92 105.19 103.58 1j5h n GLY 29 Ca 0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.96 1.92 -0.07 2.61 2.01 -1.26 -4.47 115.64 114.42 1j5h s THR 30 Ca 0.00 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.95 1j5h s THR 30 Cb 0.00 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 1j5h s THR 30 CO 0.00 0.00 0.16 0.00 -0.69 0.00 0.00 174.62 174.09 1j5h s ALA 31 N -3.09 3.90 -0.43 7.40 0.00 -1.26 -1.17 121.76 127.11 1j5h s ALA 31 Ca 0.66 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.98 1j5h s ALA 31 Cb -0.15 -1.93 0.19 0.00 0.00 0.00 0.00 23.12 21.23 1j5h s ALA 31 CO 0.56 0.67 0.41 0.66 0.00 0.00 0.00 175.76 178.06 1j5h n TYR 32 N 1.55 -0.36 -1.65 0.00 4.01 0.70 -4.51 117.16 116.90 1j5h n TYR 32 Ca -0.16 -3.47 -0.49 0.00 -0.16 0.00 0.00 57.90 53.62 1j5h n TYR 32 Cb 0.54 0.03 -0.05 0.00 -0.31 0.00 0.00 39.34 39.55 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 2.36 2.62 -4.51 7.72 -0.08 -0.85 -1.83 116.55 121.98 1j5h n ASP 33 Ca 0.27 1.08 -0.30 0.00 -1.51 0.00 0.00 54.79 54.33 1j5h n ASP 33 Cb 0.48 -1.32 0.20 0.00 2.34 0.00 0.00 41.12 42.82 1j5h n ASP 33 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1j5h n VAL 34 N 3.46 0.00 0.00 5.18 0.31 0.21 0.42 118.33 127.91 1j5h n VAL 34 Ca 0.19 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1j5h n VAL 34 Cb 0.24 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 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 0.95 -0.04 1.98 2.92 0.00 0.16 -4.57 105.19 106.59 1j5h n GLY 35 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 1j5h n GLY 35 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j5h n GLN 36 N -1.67 -2.56 -4.73 1.61 1.13 -1.11 -4.11 117.38 105.95 1j5h n GLN 36 Ca 0.00 2.14 -0.32 0.00 -1.94 0.00 0.00 57.00 56.88 1j5h n GLN 36 Cb 0.00 -3.06 -0.08 0.00 0.11 0.00 0.00 30.24 27.21 1j5h n GLN 36 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j5h s ALA 38 N -2.94 2.00 -0.29 0.00 0.00 0.17 -0.19 121.76 120.51 1j5h s ALA 38 Ca 0.07 -2.39 -0.29 0.00 0.00 0.00 0.00 51.96 49.35 1j5h s ALA 38 Cb 0.01 -1.83 -0.01 0.00 0.00 0.00 0.00 23.12 21.29 1j5h s ALA 38 CO 0.04 -1.99 1.51 -0.46 0.00 0.00 0.00 175.76 174.86 1j5h s TRP 39 N 0.63 2.28 -0.08 0.00 -0.00 -1.24 -0.18 118.94 120.34 1j5h s TRP 39 Ca 0.16 0.66 0.09 0.00 -0.00 0.00 0.00 56.10 57.01 1j5h s TRP 39 Cb -0.23 -4.03 -0.12 0.00 -0.00 0.00 0.00 33.47 29.09 1j5h s TRP 39 CO -0.04 -2.44 0.06 0.28 -0.00 0.00 0.00 176.95 174.81 1j5h n VAL 40 N 6.57 0.53 0.00 5.86 0.31 0.88 -4.44 118.33 128.04 1j5h n VAL 40 Ca 0.18 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1j5h n VAL 40 Cb 0.46 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 1j5h n VAL 40 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1j5h n ASP 41 N -2.26 0.00 -4.55 4.52 9.92 -1.21 -4.91 116.55 118.06 1j5h n ASP 41 Ca -0.13 0.00 -0.18 0.00 -0.53 0.00 0.00 54.79 53.95 1j5h n ASP 41 Cb 0.71 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 41.10 1j5h n ASP 41 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1j5h n THR 42 N -0.12 -0.01 0.00 -3.53 -1.04 -1.26 0.14 114.28 108.47 1j5h n THR 42 Ca 0.00 -0.52 0.00 0.00 -2.04 0.00 0.00 64.05 61.49 1j5h n THR 42 Cb 0.00 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 66.83 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 6.49 0.51 2.27 3.41 0.00 -1.26 -4.95 105.19 111.66 1j5h n GLY 43 Ca 0.50 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.47 3.42 -3.29 1.61 0.31 0.38 -4.77 118.33 114.52 1j5h n VAL 44 Ca 0.00 -2.71 -0.46 0.00 -0.01 0.00 0.00 64.34 61.16 1j5h n VAL 44 Cb 0.00 -1.22 -0.04 0.00 -0.91 0.00 0.00 33.84 31.67 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 -3.31 6.30 -0.88 7.52 0.20 -1.24 -0.08 118.68 127.19 1j5h s LEU 45 Ca 0.56 -2.09 -0.25 0.00 0.69 0.00 0.00 54.13 53.04 1j5h s LEU 45 Cb 0.44 -2.22 0.02 0.00 -0.43 0.00 0.00 46.19 43.99 1j5h s LEU 45 CO -0.04 -0.78 1.56 0.00 -0.29 0.00 0.00 176.35 176.80 1j5h s ALA 46 N 1.20 2.43 0.64 5.97 0.00 0.74 -4.15 121.76 128.60 1j5h s ALA 46 Ca 0.10 -1.69 -0.15 0.00 0.00 0.00 0.00 51.96 50.22 1j5h s ALA 46 Cb -0.22 -4.44 -0.01 0.00 0.00 0.00 0.00 23.12 18.45 1j5h s ALA 46 CO -0.01 -3.83 1.10 0.00 0.00 0.00 0.00 175.76 173.03 1j5h s ASN 48 N -2.55 5.34 0.00 0.00 2.47 0.95 -1.58 114.94 119.58 1j5h s ASN 48 Ca 0.67 -3.72 0.00 0.00 0.42 0.00 0.00 52.86 50.23 1j5h s ASN 48 Cb -0.20 -1.77 0.00 0.00 -1.45 0.00 0.00 41.25 37.83 1j5h s ASN 48 CO 0.40 -0.15 0.68 -0.81 -3.72 0.00 0.00 177.10 173.50 1j5h n PRO 49 N 2.24 0.75 0.00 0.43 -0.04 -1.26 -1.87 135.00 135.25 1j5h n PRO 49 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1j5h n PRO 49 Cb 0.36 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.54 1.70 -0.17 0.55 0.00 -1.26 -4.78 120.51 117.08 1j5h n ALA 50 Ca 0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 53.44 53.04 1j5h n ALA 50 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 -1.09 0.00 0.00 3.04 -1.56 -3.44 116.42 113.37 1j5h h ASP 51 Ca 0.00 0.21 0.00 0.00 -3.24 0.00 0.00 57.03 54.00 1j5h h ASP 51 Cb 0.16 0.54 0.00 0.00 -1.04 0.00 0.00 39.33 38.99 1j5h h ASP 51 CO 0.00 -0.30 0.00 0.33 -2.04 0.00 0.00 179.24 177.23 1j5h n PHE 52 N -5.43 0.00 -1.00 4.15 7.35 -1.26 -4.95 117.46 116.32 1j5h n PHE 52 Ca 0.03 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 56.37 1j5h n PHE 52 Cb 0.35 0.00 0.06 0.00 0.35 0.00 0.00 39.48 40.23 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 1.74 -4.71 -3.65 -2.13 7.64 -1.26 -4.63 113.62 106.61 1j5h n SER 53 Ca 0.00 0.28 -0.15 0.00 1.01 0.00 0.00 58.87 60.02 1j5h n SER 53 Cb 0.00 -0.89 -0.08 0.00 -1.01 0.00 0.00 64.21 62.23 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 -1.24 -0.56 0.05 6.43 1.04 -1.26 0.65 113.70 118.80 1j5h s SER 54 Ca 0.47 0.93 0.06 0.00 0.48 0.00 0.00 55.95 57.88 1j5h s SER 54 Cb -0.23 0.93 -0.02 0.00 0.10 0.00 0.00 66.02 66.80 1j5h s SER 54 CO 0.77 -0.32 -0.16 0.54 0.98 0.00 0.00 173.24 175.04 1j5h s VAL 55 N -0.23 1.28 0.12 5.02 0.11 -0.76 -4.84 120.40 121.10 1j5h s VAL 55 Ca -0.04 -1.15 0.05 0.00 -2.93 0.00 0.00 61.98 57.91 1j5h s VAL 55 Cb -0.03 -1.16 -0.04 0.00 -1.53 0.00 0.00 36.38 33.61 1j5h s VAL 55 CO 0.03 -0.00 0.04 -0.89 -3.33 0.00 0.00 175.10 170.95 1j5h s THR 56 N -0.94 4.11 0.88 5.04 2.01 -1.26 -0.22 115.64 125.26 1j5h s THR 56 Ca 0.03 -1.06 -0.13 0.00 0.31 0.00 0.00 61.69 60.84 1j5h s THR 56 Cb -0.09 -3.01 0.12 0.00 0.01 0.00 0.00 72.50 69.53 1j5h s THR 56 CO 0.02 0.03 1.17 0.00 -0.69 0.00 0.00 174.62 175.15 1j5h s ALA 57 N -1.48 2.15 -0.10 7.40 0.00 -0.31 -1.70 121.76 127.71 1j5h s ALA 57 Ca 0.27 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 1j5h s ALA 57 Cb -0.11 -2.98 0.03 0.00 0.00 0.00 0.00 23.12 20.05 1j5h s ALA 57 CO 0.20 -2.07 -0.05 0.16 0.00 0.00 0.00 175.76 173.99 1j5h s ASP 58 N -4.31 1.98 0.00 0.00 1.47 0.29 -3.96 116.67 112.14 1j5h s ASP 58 Ca 0.64 -0.24 0.00 0.00 1.18 0.00 0.00 52.55 54.13 1j5h s ASP 58 Cb -0.12 -0.72 0.00 0.00 -0.34 0.00 0.00 42.92 41.74 1j5h s ASP 58 CO 0.52 -0.13 0.00 0.00 0.68 0.00 0.00 175.17 176.23 1j5h n ALA 59 N 4.95 0.00 -0.31 2.11 0.00 -1.26 0.16 120.51 126.17 1j5h n ALA 59 Ca -0.11 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.45 1j5h n ALA 59 Cb 0.50 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.20 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 0.45 -0.11 0.00 0.00 2.85 -1.26 -4.10 115.26 113.08 1j5h n ASN 60 Ca 0.00 1.50 0.00 0.00 -0.11 0.00 0.00 54.58 55.97 1j5h n ASN 60 Cb 0.00 -0.54 0.00 0.00 1.24 0.00 0.00 39.78 40.48 1j5h n ASN 60 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1j5h n GLY 61 N -1.45 0.16 3.74 8.20 0.00 0.42 -4.12 105.19 112.15 1j5h n GLY 61 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.14 7.36 0.78 1.61 0.15 -1.21 -0.88 113.70 121.38 1j5h s SER 62 Ca 0.00 2.01 -0.10 0.00 0.70 0.00 0.00 55.95 58.55 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 -0.15 1.09 0.00 1.20 0.00 0.00 173.24 175.39 1j5h s ALA 63 N -0.29 2.21 -0.30 5.45 0.00 -0.36 0.11 121.76 128.58 1j5h s ALA 63 Ca 0.48 0.28 -0.07 0.00 0.00 0.00 0.00 51.96 52.64 1j5h s ALA 63 Cb -0.28 -3.28 0.18 0.00 0.00 0.00 0.00 23.12 19.75 1j5h s ALA 63 CO 0.34 -1.82 0.83 -1.54 0.00 0.00 0.00 175.76 173.56 1j5h s SER 64 N -3.37 -0.92 0.00 0.00 1.04 -0.69 -0.29 113.70 109.47 1j5h s SER 64 Ca 0.61 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.64 1j5h s SER 64 Cb -0.17 1.78 0.00 0.00 0.10 0.00 0.00 66.02 67.73 1j5h s SER 64 CO 0.56 -0.17 0.00 1.07 0.98 0.00 0.00 173.24 175.68 1j5h n THR 65 N 5.45 0.00 -4.35 2.02 5.66 0.25 -4.50 114.28 118.81 1j5h n THR 65 Ca -0.04 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.62 1j5h n THR 65 Cb 0.52 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.19 1j5h n THR 65 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1j5h s SER 66 N 1.34 5.05 -0.12 1.09 1.04 -1.26 0.79 113.70 121.63 1j5h s SER 66 Ca 0.00 -0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.43 1j5h s SER 66 Cb 0.00 -1.68 0.02 0.00 0.10 0.00 0.00 66.02 64.46 1j5h s SER 66 CO 0.00 0.25 -0.12 -0.76 0.98 0.00 0.00 173.24 173.58 1j5h s LEU 67 N -0.09 1.54 -0.76 2.42 1.02 -0.45 -4.85 118.68 117.51 1j5h s LEU 67 Ca 0.03 -0.39 -0.25 0.00 0.02 0.00 0.00 54.13 53.53 1j5h s LEU 67 Cb -0.13 -1.01 -0.04 0.00 0.02 0.00 0.00 46.19 45.03 1j5h s LEU 67 CO 0.02 -0.04 1.92 0.28 0.02 0.00 0.00 176.35 178.55 1j5h s THR 68 N 1.31 3.39 -0.37 5.49 -1.32 -1.26 -1.84 115.64 121.05 1j5h s THR 68 Ca -0.01 -0.10 -0.20 0.00 -1.21 0.00 0.00 61.69 60.18 1j5h s THR 68 Cb -0.14 -3.95 -0.20 0.00 -1.51 0.00 0.00 72.50 66.70 1j5h s THR 68 CO -0.06 -0.91 1.67 0.52 -2.21 0.00 0.00 174.62 173.63 1j5h n VAL 69 N 7.59 0.91 -1.48 5.08 0.31 -0.73 -4.57 118.33 125.44 1j5h n VAL 69 Ca 0.31 -0.71 -0.41 0.00 -0.01 0.00 0.00 64.34 63.52 1j5h n VAL 69 Cb 0.49 -2.04 0.01 0.00 -0.91 0.00 0.00 33.84 31.40 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 6.69 0.67 -0.11 5.55 1.85 -1.26 -2.08 116.66 127.97 1j5h n ARG 70 Ca 0.40 0.25 -0.23 0.00 -1.00 0.00 0.00 57.85 57.26 1j5h n ARG 70 Cb 0.31 -1.62 -0.08 0.00 -1.05 0.00 0.00 32.46 30.01 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 0.40 0.47 -4.35 2.89 0.63 -1.26 -4.51 116.66 110.92 1j5h n ARG 71 Ca 0.11 0.20 -0.19 0.00 -0.92 0.00 0.00 57.85 57.05 1j5h n ARG 71 Cb 0.41 -1.28 -0.14 0.00 0.45 0.00 0.00 32.46 31.90 1j5h n ARG 71 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1j5h s SER 72 N -6.93 1.46 0.00 6.15 1.04 -1.26 -1.23 113.70 112.94 1j5h s SER 72 Ca -0.30 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1j5h s SER 72 Cb 0.12 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1j5h s SER 72 CO 0.39 0.04 0.00 2.22 0.98 0.00 0.00 173.24 176.87 1j5h n PHE 73 N 2.12 -0.00 -2.98 5.02 1.16 -0.73 -4.92 117.46 117.13 1j5h n PHE 73 Ca -0.17 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 54.98 1j5h n PHE 73 Cb 0.55 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.37 1j5h n PHE 73 CO 0.00 0.00 0.00 -1.83 -1.87 0.00 0.00 176.76 173.06 1j5h s GLU 74 N -1.22 3.52 -0.08 3.97 4.04 -1.26 0.26 118.70 127.93 1j5h s GLU 74 Ca 0.00 0.02 0.01 0.00 0.04 0.00 0.00 54.97 55.04 1j5h s GLU 74 Cb 0.00 -3.89 -0.02 0.00 0.02 0.00 0.00 34.13 30.23 1j5h s GLU 74 CO 0.00 -1.01 -0.12 0.20 -1.84 0.00 0.00 175.26 172.49 1j5h s GLY 75 N 2.02 1.58 -0.08 -3.83 0.00 -1.26 -4.70 107.32 101.05 1j5h s GLY 75 Ca 0.30 -0.92 0.04 0.00 0.00 0.00 0.00 44.72 44.13 1j5h s GLY 75 CO 0.20 -0.53 -0.22 -1.36 0.00 0.00 0.00 173.10 171.20 1j5h s PHE 76 N -0.35 2.30 -0.01 1.90 0.40 -0.61 0.12 117.98 121.72 1j5h s PHE 76 Ca 0.04 -0.88 -0.25 0.00 -0.60 0.00 0.00 56.93 55.23 1j5h s PHE 76 Cb -0.12 -1.55 -0.20 0.00 0.51 0.00 0.00 43.02 41.66 1j5h s PHE 76 CO 0.02 -0.35 1.30 -0.07 0.70 0.00 0.00 175.22 176.82 1j5h h LEU 77 N 6.64 0.03 0.00 -0.37 4.07 -1.38 0.51 115.31 124.82 1j5h h LEU 77 Ca -0.24 -0.46 0.00 0.00 0.08 0.00 0.00 57.88 57.26 1j5h h LEU 77 Cb 1.22 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1j5h h LEU 77 CO 0.47 0.49 0.00 0.33 -1.08 0.00 0.00 178.44 178.65 1j5h n PHE 78 N -4.84 0.00 -1.90 1.13 7.35 -1.25 -4.64 117.46 113.31 1j5h n PHE 78 Ca -0.08 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.56 1j5h n PHE 78 Cb 0.25 -0.29 -0.04 0.00 0.35 0.00 0.00 39.48 39.74 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 1.17 -0.75 0.05 -2.13 4.64 -1.26 -5.00 116.55 113.27 1j5h n ASP 79 Ca 0.00 -1.48 0.00 0.00 -1.38 0.00 0.00 54.79 51.93 1j5h n ASP 79 Cb 0.00 0.23 0.00 0.00 -1.04 0.00 0.00 41.12 40.31 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 -0.05 -1.62 3.74 0.27 0.00 -1.26 -5.03 105.19 101.24 1j5h n GLY 80 Ca -0.20 0.57 -0.02 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.84 0.00 -0.23 2.61 2.01 -1.26 -5.07 115.64 111.85 1j5h s THR 81 Ca 0.00 -0.51 -0.01 0.00 0.31 0.00 0.00 61.69 61.48 1j5h s THR 81 Cb 0.00 -2.16 0.03 0.00 0.01 0.00 0.00 72.50 70.37 1j5h s THR 81 CO 0.00 0.00 -0.09 0.00 -0.69 0.00 0.00 174.62 173.84 1j5h s ARG 82 N -2.83 2.85 0.00 4.92 1.70 -1.26 -1.38 118.95 122.95 1j5h s ARG 82 Ca 0.15 -0.96 0.00 0.00 -0.47 0.00 0.00 55.73 54.45 1j5h s ARG 82 Cb 0.00 -2.90 0.00 0.00 -0.57 0.00 0.00 34.95 31.48 1j5h s ARG 82 CO 0.01 -0.36 0.00 0.91 -1.08 0.00 0.00 175.30 174.77 1j5h n TRP 83 N 4.65 0.00 0.00 5.89 7.02 0.12 -4.96 117.44 130.15 1j5h n TRP 83 Ca -0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.31 1j5h n TRP 83 Cb 0.47 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.36 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 0.05 2.51 3.12 6.99 0.00 -1.14 -4.85 105.19 111.86 1j5h n GLY 84 Ca 0.00 -1.48 -0.07 0.00 0.00 0.00 0.00 46.02 44.47 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 1.65 -0.28 -4.33 2.61 5.66 -0.96 -4.72 114.28 113.91 1j5h n THR 85 Ca 0.00 -0.10 -0.24 0.00 -3.05 0.00 0.00 64.05 60.65 1j5h n THR 85 Cb 0.00 -0.26 -0.08 0.00 -1.55 0.00 0.00 70.33 68.44 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 -3.68 3.17 0.10 1.08 0.11 0.14 -4.81 120.40 116.51 1j5h s VAL 86 Ca 0.03 -1.93 -0.31 0.00 -2.93 0.00 0.00 61.98 56.83 1j5h s VAL 86 Cb -0.02 -2.65 -0.08 0.00 -1.53 0.00 0.00 36.38 32.10 1j5h s VAL 86 CO 0.19 -0.30 1.51 -1.81 -3.33 0.00 0.00 175.10 171.37 1j5h s ASP 87 N -3.37 6.70 -0.13 3.54 1.11 -1.26 -1.77 116.67 121.49 1j5h s ASP 87 Ca 0.29 2.42 0.13 0.00 0.18 0.00 0.00 52.55 55.57 1j5h s ASP 87 Cb -0.07 -2.58 -0.24 0.00 1.07 0.00 0.00 42.92 41.11 1j5h s ASP 87 CO 0.17 -0.77 0.34 0.00 1.18 0.00 0.00 175.17 176.09 1j5h h THR 89 N 0.01 0.86 0.00 0.00 1.03 -1.69 0.41 112.91 113.53 1j5h h THR 89 Ca -0.42 -0.24 -0.08 0.00 -0.01 0.00 0.00 66.41 65.66 1j5h h THR 89 Cb 2.10 0.11 -0.01 0.00 -1.07 0.00 0.00 68.15 69.29 1j5h h THR 89 CO 0.05 0.13 -0.37 0.74 -0.01 0.00 0.00 175.52 176.05 1j5h h THR 90 N 0.69 1.07 -0.55 0.00 2.02 -1.88 -2.31 112.91 111.95 1j5h h THR 90 Ca 0.42 -1.37 -0.15 0.00 0.77 0.00 0.00 66.41 66.07 1j5h h THR 90 Cb 0.66 1.78 -0.09 0.00 -1.74 0.00 0.00 68.15 68.76 1j5h h THR 90 CO -0.18 0.37 0.14 0.00 0.37 0.00 0.00 175.52 176.21 1j5h n ALA 91 N -2.38 4.13 -3.39 6.16 0.00 0.12 -4.97 120.51 120.17 1j5h n ALA 91 Ca -0.01 -2.47 -0.19 0.00 0.00 0.00 0.00 53.44 50.76 1j5h n ALA 91 Cb 0.45 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.41 -2.29 -0.51 0.00 0.00 0.39 -3.69 120.51 114.01 1j5h n ALA 92 Ca 0.35 -0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.53 1j5h n ALA 92 Cb 1.20 -0.60 0.15 0.00 0.00 0.00 0.00 19.45 20.20 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 -3.53 0.69 -0.28 0.00 -2.07 0.74 -1.65 119.66 113.56 1j5h s GLN 94 Ca 0.34 0.72 -0.08 0.00 -1.82 0.00 0.00 55.36 54.52 1j5h s GLN 94 Cb -0.06 0.33 -0.02 0.00 -1.09 0.00 0.00 33.01 32.18 1j5h s GLN 94 CO 0.29 -0.10 0.10 0.54 -1.32 0.00 0.00 175.29 174.80 1j5h s VAL 95 N 0.15 4.37 0.01 3.63 0.11 -0.66 -0.72 120.40 127.31 1j5h s VAL 95 Ca -0.01 -0.32 -0.06 0.00 -2.93 0.00 0.00 61.98 58.65 1j5h s VAL 95 Cb -0.04 -3.14 -0.00 0.00 -1.53 0.00 0.00 36.38 31.67 1j5h s VAL 95 CO 0.01 0.21 0.12 -0.83 -3.33 0.00 0.00 175.10 171.29 1j5h s GLY 96 N 1.60 0.08 0.19 6.54 0.00 -1.26 -4.32 107.32 110.16 1j5h s GLY 96 Ca 0.05 -0.25 0.05 0.00 0.00 0.00 0.00 44.72 44.57 1j5h s GLY 96 CO 0.04 -0.38 0.22 0.48 0.00 0.00 0.00 173.10 173.46 1j5h s LEU 97 N -1.54 4.01 -0.05 0.66 0.05 -1.26 0.39 118.68 120.95 1j5h s LEU 97 Ca -0.13 -0.06 0.00 0.00 0.05 0.00 0.00 54.13 54.00 1j5h s LEU 97 Cb -0.07 -2.59 0.02 0.00 -2.05 0.00 0.00 46.19 41.51 1j5h s LEU 97 CO 0.00 0.02 -0.02 -0.44 -0.55 0.00 0.00 176.35 175.36 1j5h s SER 98 N -3.44 0.99 0.53 1.48 0.01 0.17 -4.75 113.70 108.69 1j5h s SER 98 Ca 0.33 -0.09 0.09 0.00 1.31 0.00 0.00 55.95 57.59 1j5h s SER 98 Cb -0.10 -0.39 0.06 0.00 0.21 0.00 0.00 66.02 65.81 1j5h s SER 98 CO 0.26 -0.10 0.72 1.51 0.41 0.00 0.00 173.24 176.04 1j5h s ASP 99 N 1.22 5.24 -0.24 2.44 1.47 -1.26 -2.01 116.67 123.53 1j5h s ASP 99 Ca -0.07 -0.74 0.00 0.00 1.18 0.00 0.00 52.55 52.93 1j5h s ASP 99 Cb -0.14 0.04 0.22 0.00 -0.34 0.00 0.00 42.92 42.70 1j5h s ASP 99 CO -0.02 -1.18 1.79 0.00 0.68 0.00 0.00 175.17 176.44 1j5h n ALA 100 N -2.12 4.54 0.00 2.11 0.00 -1.26 -2.28 120.51 121.49 1j5h n ALA 100 Ca 0.13 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.23 1j5h n ALA 100 Cb 0.61 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 0.26 0.00 -0.06 0.00 0.00 -1.26 -4.97 120.51 114.49 1j5h n ALA 101 Ca 0.25 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.49 1j5h n ALA 101 Cb 0.72 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.04 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 0.11 0.00 0.00 0.00 -1.96 -3.49 103.07 97.73 1j5h h GLY 102 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1j5h h GLY 102 CO 0.00 0.25 0.00 -2.01 0.00 0.00 0.00 176.54 174.78 1j5h n ASN 103 N -4.23 0.00 -0.45 0.19 5.15 -0.96 -4.82 115.26 110.14 1j5h n ASN 103 Ca -0.26 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 53.77 1j5h n ASN 103 Cb 0.75 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.97 1j5h n ASN 103 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1j5h n GLY 104 N 0.00 -2.76 3.80 8.20 0.00 -1.26 -4.66 105.19 108.51 1j5h n GLY 104 Ca 0.00 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 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 -3.26 1.94 -0.26 1.61 0.04 -1.26 -4.62 135.00 129.19 1j5h s PRO 105 Ca 0.00 0.58 -0.09 0.00 0.04 0.00 0.00 61.00 61.53 1j5h s PRO 105 Cb 0.00 -1.91 -0.15 0.00 0.04 0.00 0.00 34.50 32.49 1j5h s PRO 105 CO 0.00 -1.71 -0.24 0.39 0.04 0.00 0.00 177.00 175.48 1j5h n GLU 106 N -3.48 0.61 -0.17 4.56 -0.58 -1.26 -5.00 120.64 115.32 1j5h n GLU 106 Ca 0.07 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 1j5h n GLU 106 Cb 0.57 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 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 1.60 0.90 3.58 0.62 0.00 -1.26 -5.00 105.19 105.64 1j5h n GLY 107 Ca -0.49 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 1j5h n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j5h s VAL 108 N -2.00 4.01 -0.32 1.61 1.01 -1.26 -4.92 120.40 118.52 1j5h s VAL 108 Ca 0.00 -1.72 -0.29 0.00 0.00 0.00 0.00 61.98 59.97 1j5h s VAL 108 Cb 0.00 -5.08 -0.01 0.00 0.00 0.00 0.00 36.38 31.29 1j5h s VAL 108 CO 0.00 -1.83 1.62 0.00 0.00 0.00 0.00 175.10 174.89 1j5h s ALA 109 N 5.54 3.05 0.07 5.51 0.00 -1.26 -1.65 121.76 133.03 1j5h s ALA 109 Ca 0.57 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.74 1j5h s ALA 109 Cb 0.03 -3.94 -0.04 0.00 0.00 0.00 0.00 23.12 19.17 1j5h s ALA 109 CO 0.09 -2.34 0.12 0.42 0.00 0.00 0.00 175.76 174.05 1j5h s ILE 110 N 5.91 4.80 -0.75 0.00 1.01 -0.66 -4.90 121.20 126.60 1j5h s ILE 110 Ca 0.71 -0.64 -0.19 0.00 0.00 0.00 0.00 60.65 60.53 1j5h s ILE 110 Cb -0.20 -3.32 0.12 0.00 0.01 0.00 0.00 42.46 39.07 1j5h s ILE 110 CO 0.32 0.13 0.92 -0.55 0.00 0.00 0.00 174.94 175.76 1j5h s SER 111 N -2.41 6.41 0.28 3.58 0.15 -0.66 -4.02 113.70 117.02 1j5h s SER 111 Ca 0.31 -1.70 -0.06 0.00 0.70 0.00 0.00 55.95 55.20 1j5h s SER 111 Cb -0.12 -2.35 -0.06 0.00 -1.71 0.00 0.00 66.02 61.78 1j5h s SER 111 CO 0.24 -1.11 0.55 -0.36 1.20 0.00 0.00 173.24 173.76 1j5h s PHE 112 N 2.70 3.47 0.00 3.44 0.40 -1.26 -1.55 117.98 125.17 1j5h s PHE 112 Ca 0.22 0.69 0.00 0.00 -0.60 0.00 0.00 56.93 57.24 1j5h s PHE 112 Cb -0.14 -2.13 0.00 0.00 0.51 0.00 0.00 43.02 41.26 1j5h s PHE 112 CO -0.00 0.19 0.00 0.09 0.70 0.00 0.00 175.22 176.19