#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 2.93 -2.40 0.00 0.00 -1.26 -5.09 120.51 114.69 1j5h n ALA 2 Ca 0.00 -3.74 -0.43 0.00 0.00 0.00 0.00 53.44 49.27 1j5h n ALA 2 Cb 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 1j5h n ALA 2 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j5h s PRO 3 N -1.33 4.14 -0.29 0.00 0.04 -1.26 -4.88 135.00 131.41 1j5h s PRO 3 Ca 0.35 1.59 -0.28 0.00 0.04 0.00 0.00 61.00 62.70 1j5h s PRO 3 Cb 0.14 -3.81 0.19 0.00 0.04 0.00 0.00 34.50 31.06 1j5h s PRO 3 CO -0.10 -0.83 1.40 0.95 0.04 0.00 0.00 177.00 178.45 1j5h s THR 4 N 3.79 0.00 0.12 1.26 -4.23 0.27 -4.74 115.64 112.12 1j5h s THR 4 Ca 0.56 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.11 1j5h s THR 4 Cb -0.21 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.59 1j5h s THR 4 CO 0.18 0.00 0.15 0.00 -0.54 0.00 0.00 174.62 174.41 1j5h s ALA 5 N -0.74 3.69 0.16 3.99 0.00 -1.26 0.19 121.76 127.78 1j5h s ALA 5 Ca 0.09 -1.08 -0.15 0.00 0.00 0.00 0.00 51.96 50.82 1j5h s ALA 5 Cb -0.02 -1.51 0.02 0.00 0.00 0.00 0.00 23.12 21.61 1j5h s ALA 5 CO -0.10 0.62 0.42 0.95 0.00 0.00 0.00 175.76 177.64 1j5h s THR 6 N -1.61 0.06 -0.11 0.00 -4.23 -0.24 -4.56 115.64 104.94 1j5h s THR 6 Ca 0.32 -0.81 -0.01 0.00 -1.18 0.00 0.00 61.69 60.00 1j5h s THR 6 Cb -0.11 -1.44 -0.02 0.00 1.34 0.00 0.00 72.50 72.26 1j5h s THR 6 CO 0.24 -0.26 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.30 1j5h s VAL 7 N -3.86 3.58 0.11 2.29 1.01 -1.26 -1.60 120.40 120.67 1j5h s VAL 7 Ca 0.08 -0.49 -0.21 0.00 0.00 0.00 0.00 61.98 61.35 1j5h s VAL 7 Cb 0.01 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 1j5h s VAL 7 CO -0.07 0.54 1.21 0.41 0.00 0.00 0.00 175.10 177.19 1j5h n THR 8 N 3.03 -0.46 0.00 3.92 -1.04 -0.65 -3.78 114.28 115.29 1j5h n THR 8 Ca -0.18 1.88 0.00 0.00 -2.04 0.00 0.00 64.05 63.72 1j5h n THR 8 Cb 0.53 -2.35 0.00 0.00 -1.82 0.00 0.00 70.33 66.69 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 -4.64 0.00 -0.52 -2.82 -0.04 -1.26 -4.96 135.00 120.76 1j5h n PRO 9 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1j5h n PRO 9 Cb 0.18 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.52 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 0.00 -1.55 -3.64 3.54 3.41 -1.25 -5.03 113.62 109.10 1j5h n SER 10 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 1j5h n SER 10 Cb 0.00 -0.26 -0.07 0.00 -0.26 0.00 0.00 64.21 63.62 1j5h n SER 10 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1j5h s SER 11 N -2.17 -0.75 -0.61 4.04 1.04 -1.25 -1.42 113.70 112.58 1j5h s SER 11 Ca 0.00 1.35 -0.02 0.00 0.48 0.00 0.00 55.95 57.75 1j5h s SER 11 Cb 0.00 1.35 0.00 0.00 0.10 0.00 0.00 66.02 67.47 1j5h s SER 11 CO 0.00 -0.22 0.30 0.61 0.98 0.00 0.00 173.24 174.90 1j5h n GLY 12 N 3.19 0.23 0.00 7.32 0.00 0.19 -4.92 105.19 111.20 1j5h n GLY 12 Ca -0.16 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.89 0.00 -3.77 0.99 4.77 -0.76 -4.33 117.00 112.00 1j5h n LEU 13 Ca -0.04 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.86 1j5h n LEU 13 Cb 0.54 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1j5h n LEU 13 CO 0.21 0.00 0.41 -0.55 -1.33 0.00 0.00 177.39 176.13 1j5h s SER 14 N -1.00 -0.30 -0.63 -1.43 0.15 -1.26 0.17 113.70 109.40 1j5h s SER 14 Ca 0.00 -0.51 -0.26 0.00 0.70 0.00 0.00 55.95 55.89 1j5h s SER 14 Cb 0.00 0.68 -0.08 0.00 -1.71 0.00 0.00 66.02 64.91 1j5h s SER 14 CO 0.00 -1.23 2.28 -0.62 1.20 0.00 0.00 173.24 174.87 1j5h s ASP 15 N -2.89 4.48 0.00 5.45 3.68 -1.26 -0.75 116.67 125.38 1j5h s ASP 15 Ca 0.10 0.54 0.00 0.00 2.13 0.00 0.00 52.55 55.31 1j5h s ASP 15 Cb -0.04 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 38.91 1j5h s ASP 15 CO 0.02 -3.06 0.00 0.61 0.13 0.00 0.00 175.17 172.88 1j5h n GLY 16 N 6.24 1.52 3.56 2.66 0.00 -1.05 -4.63 105.19 113.50 1j5h n GLY 16 Ca 0.37 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.05 3.79 -0.88 2.61 2.01 0.07 -4.49 115.64 116.71 1j5h s THR 17 Ca 0.00 -0.79 -0.25 0.00 0.31 0.00 0.00 61.69 60.96 1j5h s THR 17 Cb 0.00 -4.75 -0.03 0.00 0.01 0.00 0.00 72.50 67.73 1j5h s THR 17 CO 0.00 -1.61 1.86 -0.69 -0.69 0.00 0.00 174.62 173.48 1j5h s VAL 18 N 6.71 3.51 0.37 3.82 1.01 -1.25 -1.58 120.40 132.99 1j5h s VAL 18 Ca 0.55 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 62.27 1j5h s VAL 18 Cb -0.01 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1j5h s VAL 18 CO -0.04 -1.09 0.20 0.68 0.00 0.00 0.00 175.10 174.84 1j5h s VAL 19 N 9.19 2.83 0.25 2.92 -7.23 -0.77 -4.74 120.40 122.85 1j5h s VAL 19 Ca 0.66 -1.62 -0.31 0.00 -1.81 0.00 0.00 61.98 58.90 1j5h s VAL 19 Cb -0.07 -3.00 -0.11 0.00 0.56 0.00 0.00 36.38 33.76 1j5h s VAL 19 CO 0.01 -0.11 1.60 -0.54 -0.31 0.00 0.00 175.10 175.74 1j5h s LYS 20 N -3.91 4.15 0.00 4.82 1.02 -1.26 -0.79 119.74 123.77 1j5h s LYS 20 Ca 0.40 2.52 0.01 0.00 0.02 0.00 0.00 55.97 58.92 1j5h s LYS 20 Cb -0.01 -3.06 -0.01 0.00 -0.52 0.00 0.00 37.83 34.23 1j5h s LYS 20 CO 0.24 -0.63 -0.04 0.08 -0.92 0.00 0.00 175.35 174.08 1j5h s VAL 21 N 0.38 0.28 0.04 3.17 1.01 0.20 -1.64 120.40 123.85 1j5h s VAL 21 Ca 0.66 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 62.32 1j5h s VAL 21 Cb -0.47 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 1j5h s VAL 21 CO 0.42 -0.02 0.03 0.00 0.00 0.00 0.00 175.10 175.54 1j5h s ALA 22 N -0.31 0.18 0.00 5.51 0.00 -0.63 -0.09 121.76 126.42 1j5h s ALA 22 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1j5h s ALA 22 Cb -0.03 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1j5h s ALA 22 CO -0.00 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1j5h n GLY 23 N 0.60 0.82 0.00 0.00 0.00 0.16 -1.08 105.19 105.69 1j5h n GLY 23 Ca -0.18 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.65 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 0.20 0.00 0.00 4.61 0.00 0.13 -1.23 120.51 124.22 1j5h n ALA 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j5h n ALA 24 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.31 3.38 0.00 0.00 -1.26 0.96 105.19 107.97 1j5h n GLY 25 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.29 -4.66 0.00 0.99 7.94 -1.02 -4.68 117.00 114.28 1j5h n LEU 26 Ca 0.00 -0.50 0.00 0.00 -1.11 0.00 0.00 56.01 54.40 1j5h n LEU 26 Cb 0.05 -2.63 0.00 0.00 0.53 0.00 0.00 43.42 41.37 1j5h n LEU 26 CO 0.00 -0.41 0.00 0.00 -1.11 0.00 0.00 177.39 175.87 1j5h n GLN 27 N -2.34 0.00 0.00 1.96 3.00 -0.28 -4.68 117.38 115.04 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 0.58 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.82 1j5h n GLN 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1j5h n ALA 28 N -3.00 0.00 -1.52 -1.58 0.00 -1.24 -3.85 120.51 109.33 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 0.05 3.29 0.00 0.00 -1.26 -4.84 105.19 102.42 1j5h n GLY 29 Ca 0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.00 0.07 0.70 2.61 -1.32 -1.26 -4.95 115.64 108.49 1j5h s THR 30 Ca 0.00 -0.60 -0.15 0.00 -1.21 0.00 0.00 61.69 59.73 1j5h s THR 30 Cb -0.00 -1.03 0.02 0.00 -1.51 0.00 0.00 72.50 69.98 1j5h s THR 30 CO 0.01 -0.33 1.16 0.00 -2.21 0.00 0.00 174.62 173.24 1j5h s ALA 31 N -2.94 2.26 -0.46 11.08 0.00 -1.26 -1.61 121.76 128.83 1j5h s ALA 31 Ca -0.02 0.71 0.05 0.00 0.00 0.00 0.00 51.96 52.70 1j5h s ALA 31 Cb 0.00 -3.39 0.18 0.00 0.00 0.00 0.00 23.12 19.91 1j5h s ALA 31 CO -0.06 -1.62 0.51 0.71 0.00 0.00 0.00 175.76 175.31 1j5h s TYR 32 N -2.18 -0.13 -0.00 0.00 2.02 0.30 -4.77 117.35 112.58 1j5h s TYR 32 Ca 0.70 -1.53 -0.36 0.00 -0.37 0.00 0.00 57.07 55.51 1j5h s TYR 32 Cb -0.25 -0.36 -0.15 0.00 -0.40 0.00 0.00 41.96 40.80 1j5h s TYR 32 CO 0.44 -1.03 1.56 -3.47 -1.57 0.00 0.00 175.55 171.48 1j5h n ASP 33 N 2.90 2.40 -4.78 2.29 2.03 0.12 -1.79 116.55 119.72 1j5h n ASP 33 Ca 0.24 1.08 -0.32 0.00 0.52 0.00 0.00 54.79 56.31 1j5h n ASP 33 Cb 0.51 -1.26 0.05 0.00 -0.72 0.00 0.00 41.12 39.70 1j5h n ASP 33 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1j5h s VAL 34 N 1.77 3.44 0.00 5.18 1.01 0.23 0.13 120.40 132.16 1j5h s VAL 34 Ca 0.87 0.62 0.00 0.00 0.00 0.00 0.00 61.98 63.48 1j5h s VAL 34 Cb -0.88 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1j5h s VAL 34 CO 0.50 -0.46 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1j5h n GLY 35 N -0.84 4.47 0.00 4.51 0.00 0.07 -4.39 105.19 109.02 1j5h n GLY 35 Ca 0.10 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 0.00 0.00 -4.61 1.61 1.13 -1.26 -4.12 117.38 110.13 1j5h n GLN 36 Ca 0.00 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.74 1j5h n GLN 36 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.29 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 -2.88 1.12 -0.23 0.00 0.00 0.23 -1.27 121.76 118.74 1j5h s ALA 38 Ca 0.08 -1.42 -0.11 0.00 0.00 0.00 0.00 51.96 50.51 1j5h s ALA 38 Cb 0.00 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 1j5h s ALA 38 CO 0.05 -0.23 0.19 -0.46 0.00 0.00 0.00 175.76 175.30 1j5h s TRP 39 N -3.59 3.33 0.00 0.00 -0.11 -1.26 -1.55 118.94 115.75 1j5h s TRP 39 Ca 0.15 0.28 0.00 0.00 1.22 0.00 0.00 56.10 57.75 1j5h s TRP 39 Cb 0.05 -2.30 0.00 0.00 -1.50 0.00 0.00 33.47 29.72 1j5h s TRP 39 CO -0.02 0.06 0.00 0.28 -4.62 0.00 0.00 176.95 172.65 1j5h n VAL 40 N 4.27 0.00 -0.22 5.86 0.31 -0.27 -4.73 118.33 123.56 1j5h n VAL 40 Ca -0.14 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.09 1j5h n VAL 40 Cb 0.52 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.54 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 -2.34 -4.56 4.52 2.03 -1.25 -4.69 116.55 110.26 1j5h n ASP 41 Ca 0.00 -0.28 -0.36 0.00 0.52 0.00 0.00 54.79 54.67 1j5h n ASP 41 Cb 0.00 -0.42 -0.04 0.00 -0.72 0.00 0.00 41.12 39.94 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 -1.36 3.76 0.00 5.18 2.01 -1.26 -2.32 115.64 121.65 1j5h s THR 42 Ca 0.22 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.52 1j5h s THR 42 Cb -0.04 -4.70 0.00 0.00 0.01 0.00 0.00 72.50 67.77 1j5h s THR 42 CO 0.18 -1.58 0.00 0.61 -0.69 0.00 0.00 174.62 173.14 1j5h n GLY 43 N 6.76 0.82 3.70 4.40 0.00 -1.26 -5.08 105.19 114.52 1j5h n GLY 43 Ca 0.37 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.00 5.14 -0.04 1.61 1.01 -0.98 -5.04 120.40 120.10 1j5h s VAL 44 Ca 0.00 1.03 0.06 0.00 0.00 0.00 0.00 61.98 63.06 1j5h s VAL 44 Cb 0.00 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 1j5h s VAL 44 CO 0.00 0.26 -0.21 -0.22 0.00 0.00 0.00 175.10 174.93 1j5h s LEU 45 N 1.01 2.01 -0.34 3.92 1.98 -1.26 -1.11 118.68 124.89 1j5h s LEU 45 Ca 0.27 -0.41 0.04 0.00 -2.89 0.00 0.00 54.13 51.14 1j5h s LEU 45 Cb -0.16 -1.13 0.10 0.00 0.66 0.00 0.00 46.19 45.67 1j5h s LEU 45 CO 0.11 0.22 0.05 0.00 -1.89 0.00 0.00 176.35 174.84 1j5h s ALA 46 N -0.24 2.89 0.50 5.97 0.00 -0.60 -4.18 121.76 126.11 1j5h s ALA 46 Ca 0.01 -2.53 -0.18 0.00 0.00 0.00 0.00 51.96 49.27 1j5h s ALA 46 Cb -0.11 -1.97 -0.08 0.00 0.00 0.00 0.00 23.12 20.97 1j5h s ALA 46 CO 0.01 -1.69 0.99 0.00 0.00 0.00 0.00 175.76 175.08 1j5h s ASN 48 N -2.77 5.44 0.00 0.00 2.47 0.24 0.73 114.94 121.05 1j5h s ASN 48 Ca 0.61 -2.54 0.00 0.00 0.42 0.00 0.00 52.86 51.35 1j5h s ASN 48 Cb -0.11 -1.90 0.00 0.00 -1.45 0.00 0.00 41.25 37.79 1j5h s ASN 48 CO 0.27 -0.47 1.22 -0.81 -3.72 0.00 0.00 177.10 173.60 1j5h n PRO 49 N 3.96 0.76 0.00 0.43 -0.04 -1.26 -2.12 135.00 136.73 1j5h n PRO 49 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1j5h n PRO 49 Cb 0.40 -1.12 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 1.24 1.17 -0.30 0.55 0.00 -1.26 -4.82 120.51 117.09 1j5h n ALA 50 Ca 0.00 -0.33 0.02 0.00 0.00 0.00 0.00 53.44 53.12 1j5h n ALA 50 Cb 0.38 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.92 0.00 0.00 3.04 -1.71 -3.43 116.42 113.40 1j5h h ASP 51 Ca 0.00 0.26 0.00 0.00 -3.24 0.00 0.00 57.03 54.05 1j5h h ASP 51 Cb 0.40 0.56 0.00 0.00 -1.04 0.00 0.00 39.33 39.25 1j5h h ASP 51 CO 0.00 -0.28 0.00 0.33 -2.04 0.00 0.00 179.24 177.25 1j5h n PHE 52 N -5.52 0.00 -0.82 4.15 7.35 -1.26 -4.90 117.46 116.46 1j5h n PHE 52 Ca 0.11 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.54 1j5h n PHE 52 Cb 0.41 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.25 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 -2.16 -3.72 -2.13 7.64 -1.26 -4.56 113.62 109.17 1j5h n SER 53 Ca 0.00 0.46 -0.13 0.00 1.01 0.00 0.00 58.87 60.21 1j5h n SER 53 Cb 0.00 -0.56 -0.09 0.00 -1.01 0.00 0.00 64.21 62.55 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 -0.64 -0.41 0.22 6.43 1.04 -1.26 0.75 113.70 119.81 1j5h s SER 54 Ca 0.37 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.54 1j5h s SER 54 Cb -0.36 0.77 -0.05 0.00 0.10 0.00 0.00 66.02 66.49 1j5h s SER 54 CO 0.42 -0.21 0.09 0.54 0.98 0.00 0.00 173.24 175.05 1j5h s VAL 55 N -0.08 0.36 0.10 5.02 0.11 -0.74 -4.84 120.40 120.33 1j5h s VAL 55 Ca -0.03 -1.99 0.09 0.00 -2.93 0.00 0.00 61.98 57.13 1j5h s VAL 55 Cb -0.03 -2.47 -0.03 0.00 -1.53 0.00 0.00 36.38 32.32 1j5h s VAL 55 CO 0.02 -0.11 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.54 1j5h s THR 56 N -3.89 1.97 1.34 5.04 2.01 -1.26 0.11 115.64 120.95 1j5h s THR 56 Ca 0.35 -1.56 -0.19 0.00 0.31 0.00 0.00 61.69 60.60 1j5h s THR 56 Cb 0.07 -1.75 0.34 0.00 0.01 0.00 0.00 72.50 71.17 1j5h s THR 56 CO 0.11 0.09 0.96 0.00 -0.69 0.00 0.00 174.62 175.08 1j5h s ALA 57 N -1.03 -0.77 -0.02 7.40 0.00 -0.63 -2.96 121.76 123.75 1j5h s ALA 57 Ca 0.10 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.54 1j5h s ALA 57 Cb -0.10 -3.07 0.01 0.00 0.00 0.00 0.00 23.12 19.96 1j5h s ALA 57 CO 0.04 -4.39 -0.06 0.16 0.00 0.00 0.00 175.76 171.52 1j5h s ASP 58 N -2.84 0.84 0.00 0.00 1.47 0.38 -4.66 116.67 111.86 1j5h s ASP 58 Ca 0.69 -0.12 0.00 0.00 1.18 0.00 0.00 52.55 54.29 1j5h s ASP 58 Cb -0.18 -0.24 0.00 0.00 -0.34 0.00 0.00 42.92 42.16 1j5h s ASP 58 CO 0.61 0.02 0.00 0.00 0.68 0.00 0.00 175.17 176.48 1j5h n ALA 59 N 3.39 0.00 0.00 2.11 0.00 -1.26 -0.11 120.51 124.64 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 0.95 3.68 8.20 0.00 0.84 -3.69 105.19 115.17 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 -0.56 0.00 0.00 0.00 173.32 172.76 1j5h s SER 62 N -0.37 7.01 0.91 1.61 0.01 -1.20 -1.12 113.70 120.55 1j5h s SER 62 Ca 0.00 1.23 -0.11 0.00 1.31 0.00 0.00 55.95 58.39 1j5h s SER 62 Cb 0.00 -2.46 0.14 0.00 0.21 0.00 0.00 66.02 63.91 1j5h s SER 62 CO 0.00 -0.34 1.11 0.00 0.41 0.00 0.00 173.24 174.42 1j5h s ALA 63 N 1.81 1.42 -0.30 1.44 0.00 -0.37 0.14 121.76 125.91 1j5h s ALA 63 Ca 0.40 0.36 -0.04 0.00 0.00 0.00 0.00 51.96 52.68 1j5h s ALA 63 Cb -0.17 -3.36 0.19 0.00 0.00 0.00 0.00 23.12 19.78 1j5h s ALA 63 CO 0.15 -2.63 0.72 -1.54 0.00 0.00 0.00 175.76 172.46 1j5h s SER 64 N -2.89 -1.15 0.00 0.00 1.04 -1.16 -0.66 113.70 108.88 1j5h s SER 64 Ca 0.65 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.76 1j5h s SER 64 Cb -0.21 1.95 0.00 0.00 0.10 0.00 0.00 66.02 67.86 1j5h s SER 64 CO 0.58 -0.21 0.00 1.07 0.98 0.00 0.00 173.24 175.66 1j5h n THR 65 N 5.44 0.00 -2.84 2.02 5.66 0.87 -4.67 114.28 120.76 1j5h n THR 65 Ca -0.02 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.56 1j5h n THR 65 Cb 0.52 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.26 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 0.00 6.72 -0.12 1.09 1.04 -1.26 0.62 113.70 121.80 1j5h s SER 66 Ca 0.00 0.70 -0.04 0.00 0.48 0.00 0.00 55.95 57.09 1j5h s SER 66 Cb 0.00 -2.45 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 1j5h s SER 66 CO 0.00 -0.76 0.04 -0.76 0.98 0.00 0.00 173.24 172.75 1j5h s LEU 67 N 3.27 3.79 -0.50 2.42 1.43 0.03 -4.78 118.68 124.34 1j5h s LEU 67 Ca 0.37 0.19 -0.28 0.00 -1.03 0.00 0.00 54.13 53.38 1j5h s LEU 67 Cb -0.13 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.21 1j5h s LEU 67 CO 0.15 0.34 1.35 0.28 0.23 0.00 0.00 176.35 178.70 1j5h s THR 68 N -0.62 3.91 -1.42 5.49 -1.32 -1.26 -1.85 115.64 118.57 1j5h s THR 68 Ca 0.11 0.86 -0.10 0.00 -1.21 0.00 0.00 61.69 61.35 1j5h s THR 68 Cb -0.12 -4.41 -0.07 0.00 -1.51 0.00 0.00 72.50 66.39 1j5h s THR 68 CO 0.02 -1.02 2.67 0.52 -2.21 0.00 0.00 174.62 174.60 1j5h n VAL 69 N 6.93 3.72 -1.51 5.08 0.31 -0.61 -4.72 118.33 127.53 1j5h n VAL 69 Ca 0.13 -2.31 -0.44 0.00 -0.01 0.00 0.00 64.34 61.71 1j5h n VAL 69 Cb 0.49 -2.49 -0.01 0.00 -0.91 0.00 0.00 33.84 30.92 1j5h n VAL 69 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1j5h n ARG 70 N 4.04 0.83 0.00 5.55 1.74 -1.26 -2.51 116.66 125.05 1j5h n ARG 70 Ca 0.67 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 58.05 1j5h n ARG 70 Cb 0.22 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1j5h n ARG 70 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1j5h n ARG 71 N 0.69 0.00 -2.23 5.56 0.63 -1.26 -4.59 116.66 115.46 1j5h n ARG 71 Ca 0.12 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.62 1j5h n ARG 71 Cb 0.34 -0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.22 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 0.41 6.70 0.00 6.15 1.04 -1.26 -1.04 113.70 125.70 1j5h s SER 72 Ca 0.00 1.77 0.00 0.00 0.48 0.00 0.00 55.95 58.20 1j5h s SER 72 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1j5h s SER 72 CO 0.00 -0.97 0.00 2.22 0.98 0.00 0.00 173.24 175.47 1j5h n PHE 73 N 7.33 -0.03 -3.93 5.02 -1.74 -0.28 -4.91 117.46 118.91 1j5h n PHE 73 Ca 0.16 0.00 -0.27 0.00 -0.56 0.00 0.00 57.45 56.78 1j5h n PHE 73 Cb 0.45 0.00 -0.17 0.00 1.52 0.00 0.00 39.48 41.28 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 -0.74 1.63 0.01 3.97 -1.05 -1.26 0.21 118.70 121.46 1j5h s GLU 74 Ca 0.00 -0.30 -0.03 0.00 -0.15 0.00 0.00 54.97 54.49 1j5h s GLU 74 Cb 0.00 -1.66 -0.04 0.00 -0.44 0.00 0.00 34.13 31.99 1j5h s GLU 74 CO 0.00 -0.26 0.21 0.20 0.95 0.00 0.00 175.26 176.36 1j5h s GLY 75 N 1.67 2.19 -0.09 -3.83 0.00 -1.26 -4.82 107.32 101.17 1j5h s GLY 75 Ca 0.05 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.04 1j5h s GLY 75 CO -0.08 -0.61 -0.08 -1.36 0.00 0.00 0.00 173.10 170.97 1j5h s PHE 76 N -1.35 2.91 0.04 1.90 0.40 0.22 -1.12 117.98 120.99 1j5h s PHE 76 Ca 0.28 -0.17 -0.11 0.00 -0.60 0.00 0.00 56.93 56.34 1j5h s PHE 76 Cb -0.13 -1.77 -0.04 0.00 0.51 0.00 0.00 43.02 41.59 1j5h s PHE 76 CO 0.19 0.16 1.17 -0.07 0.70 0.00 0.00 175.22 177.37 1j5h h LEU 77 N 5.78 -0.57 0.00 -0.37 3.38 -0.39 1.24 115.31 124.38 1j5h h LEU 77 Ca -0.41 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1j5h h LEU 77 Cb 1.18 0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1j5h h LEU 77 CO 0.55 -0.14 0.00 0.49 0.09 0.00 0.00 178.44 179.42 1j5h n PHE 78 N -3.51 0.00 -0.02 1.13 3.01 -1.26 -3.60 117.46 113.21 1j5h n PHE 78 Ca -0.02 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.43 1j5h n PHE 78 Cb 0.12 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.58 1j5h n PHE 78 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1j5h n ASP 79 N 0.00 0.45 -1.03 4.37 10.43 -1.26 -4.95 116.55 124.56 1j5h n ASP 79 Ca 0.00 0.34 -0.03 0.00 2.57 0.00 0.00 54.79 57.67 1j5h n ASP 79 Cb 0.00 -0.59 -0.01 0.00 1.84 0.00 0.00 41.12 42.36 1j5h n ASP 79 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1j5h n GLY 80 N 1.71 0.06 3.40 0.44 0.00 -1.26 -5.15 105.19 104.39 1j5h n GLY 80 Ca -0.02 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 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 0.01 1.84 0.34 2.61 2.01 -1.26 -5.02 115.64 116.17 1j5h s THR 81 Ca 0.01 -2.21 -0.18 0.00 0.31 0.00 0.00 61.69 59.62 1j5h s THR 81 Cb 0.05 -2.24 0.04 0.00 0.01 0.00 0.00 72.50 70.36 1j5h s THR 81 CO -0.01 -0.45 0.76 0.00 -0.69 0.00 0.00 174.62 174.22 1j5h s ARG 82 N -3.65 2.03 0.00 4.92 3.03 -1.26 0.22 118.95 124.25 1j5h s ARG 82 Ca 0.26 -1.24 0.00 0.00 2.03 0.00 0.00 55.73 56.79 1j5h s ARG 82 Cb 0.00 0.62 0.00 0.00 -1.03 0.00 0.00 34.95 34.54 1j5h s ARG 82 CO 0.10 -0.94 0.00 0.91 -1.13 0.00 0.00 175.30 174.24 1j5h n TRP 83 N -0.50 0.00 0.00 5.89 7.02 -0.27 -4.93 117.44 124.65 1j5h n TRP 83 Ca -0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.42 1j5h n TRP 83 Cb 0.59 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.48 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 -0.20 0.19 3.24 6.99 0.00 -1.26 -4.55 105.19 109.60 1j5h n GLY 84 Ca 0.00 0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.00 -3.65 2.61 5.66 0.56 -4.71 114.28 114.74 1j5h n THR 85 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 1j5h n THR 85 Cb 0.00 -0.25 0.01 0.00 -1.55 0.00 0.00 70.33 68.54 1j5h n THR 85 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1j5h n VAL 86 N -2.81 0.00 -2.35 1.08 3.14 -0.73 -4.93 118.33 111.73 1j5h n VAL 86 Ca 0.06 -0.33 -0.43 0.00 -2.96 0.00 0.00 64.34 60.68 1j5h n VAL 86 Cb 0.37 0.43 -0.02 0.00 -1.06 0.00 0.00 33.84 33.55 1j5h n VAL 86 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1j5h s ASP 87 N -2.29 6.74 0.43 6.55 1.01 -1.26 -1.13 116.67 126.72 1j5h s ASP 87 Ca 0.12 1.54 0.11 0.00 0.71 0.00 0.00 52.55 55.03 1j5h s ASP 87 Cb -0.02 -2.54 0.97 0.00 1.01 0.00 0.00 42.92 42.35 1j5h s ASP 87 CO 0.03 -0.96 2.02 0.00 0.21 0.00 0.00 175.17 176.47 1j5h h THR 89 N 0.45 0.09 0.00 0.00 1.03 -1.85 4.22 112.91 116.86 1j5h h THR 89 Ca 0.21 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.56 1j5h h THR 89 Cb 0.28 0.33 -0.01 0.00 -1.07 0.00 0.00 68.15 67.68 1j5h h THR 89 CO -0.06 0.00 -0.25 0.74 -0.01 0.00 0.00 175.52 175.95 1j5h h THR 90 N 0.00 0.43 -0.00 0.00 2.02 -1.28 -3.27 112.91 110.81 1j5h h THR 90 Ca 0.17 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.76 1j5h h THR 90 Cb 1.68 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 70.28 1j5h h THR 90 CO -0.00 0.24 -0.04 0.00 0.37 0.00 0.00 175.52 176.09 1j5h n ALA 91 N -2.16 2.28 -3.22 6.16 0.00 1.10 -5.04 120.51 119.64 1j5h n ALA 91 Ca 0.03 -0.20 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 1j5h n ALA 91 Cb 0.63 -0.05 0.03 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.66 -2.51 -0.58 0.00 0.00 1.15 -4.19 120.51 113.72 1j5h n ALA 92 Ca 0.00 0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.27 1j5h n ALA 92 Cb 0.03 -3.59 0.14 0.00 0.00 0.00 0.00 19.45 16.03 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 -3.36 0.23 -0.21 0.00 0.00 -0.39 -1.71 119.66 114.22 1j5h s GLN 94 Ca 0.39 -0.45 0.01 0.00 -0.00 0.00 0.00 55.36 55.30 1j5h s GLN 94 Cb -0.06 0.08 0.05 0.00 0.00 0.00 0.00 33.01 33.08 1j5h s GLN 94 CO 0.40 -0.04 -0.07 0.54 0.00 0.00 0.00 175.29 176.12 1j5h s VAL 95 N -1.08 1.53 0.48 3.63 0.11 -0.68 -0.75 120.40 123.64 1j5h s VAL 95 Ca -0.12 -1.07 0.00 0.00 -2.93 0.00 0.00 61.98 57.87 1j5h s VAL 95 Cb -0.07 -1.71 -0.00 0.00 -1.53 0.00 0.00 36.38 33.07 1j5h s VAL 95 CO -0.01 0.03 0.01 0.61 -3.33 0.00 0.00 175.10 172.42 1j5h n GLY 96 N 4.70 3.56 3.93 6.54 0.00 -1.26 -1.96 105.19 120.70 1j5h n GLY 96 Ca -0.13 -2.34 -0.29 0.00 0.00 0.00 0.00 46.02 43.26 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 4.34 -0.13 0.99 2.01 -1.26 -0.75 118.68 123.87 1j5h s LEU 97 Ca 0.02 0.22 -0.01 0.00 0.01 0.00 0.00 54.13 54.36 1j5h s LEU 97 Cb 0.00 -2.93 0.04 0.00 0.01 0.00 0.00 46.19 43.31 1j5h s LEU 97 CO 0.01 0.12 -0.02 -0.55 1.01 0.00 0.00 176.35 176.93 1j5h s SER 98 N -2.83 2.32 0.46 2.29 0.15 0.36 -4.49 113.70 111.96 1j5h s SER 98 Ca 0.35 -0.45 0.03 0.00 0.70 0.00 0.00 55.95 56.58 1j5h s SER 98 Cb -0.12 -0.66 0.03 0.00 -1.71 0.00 0.00 66.02 63.55 1j5h s SER 98 CO 0.28 -0.21 0.22 -0.90 1.20 0.00 0.00 173.24 173.83 1j5h n ASP 99 N 5.02 2.77 -1.76 5.45 5.68 -1.26 0.12 116.55 132.56 1j5h n ASP 99 Ca -0.10 -2.73 -0.15 0.00 -0.50 0.00 0.00 54.79 51.32 1j5h n ASP 99 Cb 0.49 0.09 0.06 0.00 -1.14 0.00 0.00 41.12 40.62 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 -1.87 4.62 0.00 2.12 0.00 -1.26 -3.27 120.51 120.85 1j5h n ALA 100 Ca -0.16 -1.58 0.00 0.00 0.00 0.00 0.00 53.44 51.70 1j5h n ALA 100 Cb 0.54 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.01 0.00 0.00 0.00 0.00 -1.26 -5.01 120.51 114.26 1j5h n ALA 101 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1j5h n ALA 101 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.27 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 0.00 0.05 2.76 0.00 0.00 -1.25 -5.10 105.19 101.65 1j5h n GLY 102 Ca 0.00 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.47 -5.04 0.00 1.61 0.23 -1.20 -4.78 115.26 105.60 1j5h n ASN 103 Ca 0.00 0.25 0.00 0.00 -0.53 0.00 0.00 54.58 54.30 1j5h n ASN 103 Cb 0.00 -0.70 0.00 0.00 -2.08 0.00 0.00 39.78 37.00 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 2.98 0.43 3.62 4.83 0.00 -1.26 -4.90 105.19 110.89 1j5h n GLY 104 Ca 0.00 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.68 3.76 0.00 1.61 0.04 -1.26 -4.60 135.00 132.88 1j5h s PRO 105 Ca 0.00 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1j5h s PRO 105 Cb 0.00 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.59 1j5h s PRO 105 CO 0.00 -1.32 0.00 0.39 0.04 0.00 0.00 177.00 176.11 1j5h n GLU 106 N 7.66 0.00 -1.43 4.56 1.02 -1.26 -5.17 120.64 126.02 1j5h n GLU 106 Ca 0.16 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.00 1j5h n GLU 106 Cb 0.47 0.00 0.19 0.00 -0.02 0.00 0.00 31.44 32.08 1j5h n GLU 106 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1j5h s GLY 107 N 0.00 1.63 -0.31 0.62 0.00 -1.26 -4.70 107.32 103.29 1j5h s GLY 107 Ca 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 44.72 43.77 1j5h s GLY 107 CO 0.00 -0.10 0.19 0.54 0.00 0.00 0.00 173.10 173.73 1j5h s VAL 108 N -3.30 4.97 -0.32 1.40 0.11 -0.83 -4.67 120.40 117.76 1j5h s VAL 108 Ca 0.69 -0.21 -0.28 0.00 -2.93 0.00 0.00 61.98 59.25 1j5h s VAL 108 Cb -0.10 -3.50 -0.03 0.00 -1.53 0.00 0.00 36.38 31.22 1j5h s VAL 108 CO 0.55 0.09 1.96 0.00 -3.33 0.00 0.00 175.10 174.37 1j5h s ALA 109 N 1.68 2.71 0.07 1.54 0.00 -1.26 -1.69 121.76 124.80 1j5h s ALA 109 Ca 0.06 0.34 0.04 0.00 0.00 0.00 0.00 51.96 52.40 1j5h s ALA 109 Cb -0.17 -4.07 -0.04 0.00 0.00 0.00 0.00 23.12 18.84 1j5h s ALA 109 CO 0.09 -2.87 -0.02 0.42 0.00 0.00 0.00 175.76 173.38 1j5h s ILE 110 N 7.76 3.93 -0.40 0.00 1.01 -0.69 -4.94 121.20 127.86 1j5h s ILE 110 Ca 0.86 -0.93 -0.09 0.00 0.00 0.00 0.00 60.65 60.49 1j5h s ILE 110 Cb -0.25 -2.83 0.07 0.00 0.01 0.00 0.00 42.46 39.46 1j5h s ILE 110 CO 0.33 0.19 0.23 -0.44 0.00 0.00 0.00 174.94 175.25 1j5h s SER 111 N -2.07 5.59 -0.20 3.58 0.01 -0.51 -4.10 113.70 116.01 1j5h s SER 111 Ca 0.23 -1.39 -0.28 0.00 1.31 0.00 0.00 55.95 55.81 1j5h s SER 111 Cb -0.12 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.15 1j5h s SER 111 CO 0.15 -0.49 1.00 -0.36 0.41 0.00 0.00 173.24 173.96 1j5h s PHE 112 N 1.43 3.38 0.00 2.43 0.40 -1.26 0.54 117.98 124.90 1j5h s PHE 112 Ca 0.02 1.45 0.00 0.00 -0.60 0.00 0.00 56.93 57.81 1j5h s PHE 112 Cb -0.22 -3.22 0.00 0.00 0.51 0.00 0.00 43.02 40.09 1j5h s PHE 112 CO 0.03 -0.40 0.00 -1.71 0.70 0.00 0.00 175.22 173.83