#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 -2.60 -1.95 0.00 0.00 -1.26 -4.84 120.51 109.87 1j5h n ALA 2 Ca 0.00 -0.51 -0.41 0.00 0.00 0.00 0.00 53.44 52.52 1j5h n ALA 2 Cb 0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 19.45 17.38 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 -6.82 4.61 0.00 0.00 0.04 -1.26 -4.93 135.00 126.64 1j5h s PRO 3 Ca 0.37 1.76 0.16 0.00 0.04 0.00 0.00 61.00 63.32 1j5h s PRO 3 Cb -0.20 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.07 1j5h s PRO 3 CO 0.92 0.12 0.83 2.41 0.04 0.00 0.00 177.00 181.32 1j5h n THR 4 N 1.94 0.00 -2.66 1.26 -1.04 0.14 -4.95 114.28 108.97 1j5h n THR 4 Ca 0.01 -0.32 -0.41 0.00 -2.04 0.00 0.00 64.05 61.30 1j5h n THR 4 Cb 0.46 1.17 -0.04 0.00 -1.82 0.00 0.00 70.33 70.09 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 -1.93 3.30 0.02 2.41 0.00 -1.07 -1.77 121.76 122.72 1j5h s ALA 5 Ca 0.13 0.66 -0.19 0.00 0.00 0.00 0.00 51.96 52.56 1j5h s ALA 5 Cb 0.13 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 19.99 1j5h s ALA 5 CO 0.42 -0.05 0.44 0.95 0.00 0.00 0.00 175.76 177.51 1j5h s THR 6 N -0.27 0.05 -0.23 0.00 -4.23 -0.21 -4.69 115.64 106.05 1j5h s THR 6 Ca 0.47 -0.38 -0.07 0.00 -1.18 0.00 0.00 61.69 60.53 1j5h s THR 6 Cb -0.26 -0.88 -0.03 0.00 1.34 0.00 0.00 72.50 72.67 1j5h s THR 6 CO 0.32 -0.21 0.06 -0.69 -0.54 0.00 0.00 174.62 173.56 1j5h s VAL 7 N -2.03 4.32 0.00 2.29 1.01 -1.26 -1.90 120.40 122.82 1j5h s VAL 7 Ca -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1j5h s VAL 7 Cb -0.02 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1j5h s VAL 7 CO 0.01 0.37 0.46 0.41 0.00 0.00 0.00 175.10 176.35 1j5h n THR 8 N 4.61 0.00 0.00 3.92 -1.04 -0.61 -3.67 114.28 117.49 1j5h n THR 8 Ca -0.16 0.69 0.00 0.00 -2.04 0.00 0.00 64.05 62.54 1j5h n THR 8 Cb 0.52 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 68.10 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 -2.39 0.00 -1.17 -2.82 -0.04 -1.26 -5.01 135.00 122.31 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 0.00 -0.17 0.00 0.00 -0.04 0.00 0.00 33.50 33.29 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 -0.05 -0.84 -3.60 3.54 3.41 -1.24 -5.02 113.62 109.83 1j5h n SER 10 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1j5h n SER 10 Cb 0.00 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 63.64 1j5h n SER 10 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1j5h s SER 11 N -2.50 -0.54 -1.30 4.04 0.15 -1.25 -1.70 113.70 110.60 1j5h s SER 11 Ca 0.00 0.86 -0.10 0.00 0.70 0.00 0.00 55.95 57.41 1j5h s SER 11 Cb 0.00 0.81 0.08 0.00 -1.71 0.00 0.00 66.02 65.20 1j5h s SER 11 CO 0.00 -0.31 0.50 0.61 1.20 0.00 0.00 173.24 175.24 1j5h n GLY 12 N 1.71 -0.48 0.00 9.45 0.00 0.53 -4.88 105.19 111.52 1j5h n GLY 12 Ca -0.14 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.75 0.00 0.00 0.99 4.77 -0.77 -4.74 117.00 113.50 1j5h n LEU 13 Ca -0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 1j5h n LEU 13 Cb 0.53 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 1j5h n LEU 13 CO 0.54 0.00 -0.13 -0.24 -1.33 0.00 0.00 177.39 176.23 1j5h n SER 14 N 0.00 -4.92 -2.41 -1.43 2.88 -1.17 -4.46 113.62 102.10 1j5h n SER 14 Ca 0.00 0.78 -0.13 0.00 -1.33 0.00 0.00 58.87 58.19 1j5h n SER 14 Cb 0.00 -2.35 -0.01 0.00 -0.75 0.00 0.00 64.21 61.10 1j5h n SER 14 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1j5h n ASP 15 N -4.21 -4.00 -3.58 -3.46 4.64 -1.26 -0.48 116.55 104.19 1j5h n ASP 15 Ca 0.00 0.19 -0.21 0.00 -1.38 0.00 0.00 54.79 53.39 1j5h n ASP 15 Cb 0.33 -3.40 0.07 0.00 -1.04 0.00 0.00 41.12 37.07 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 -0.80 -0.39 3.56 0.27 0.00 -1.16 -4.81 105.19 101.86 1j5h n GLY 16 Ca -0.15 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.44 3.08 -0.97 2.61 2.01 0.37 -4.03 115.64 115.28 1j5h s THR 17 Ca 0.17 -0.04 -0.24 0.00 0.31 0.00 0.00 61.69 61.89 1j5h s THR 17 Cb -0.08 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 1j5h s THR 17 CO 0.76 -0.19 1.90 -0.69 -0.69 0.00 0.00 174.62 175.72 1j5h s VAL 18 N 13.23 3.51 0.36 3.82 1.01 -1.24 -2.07 120.40 139.02 1j5h s VAL 18 Ca 0.90 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 62.42 1j5h s VAL 18 Cb -0.13 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 1j5h s VAL 18 CO 0.12 -1.05 0.47 0.68 0.00 0.00 0.00 175.10 175.32 1j5h s VAL 19 N 9.75 3.71 -0.15 2.92 -7.23 -0.81 -4.67 120.40 123.91 1j5h s VAL 19 Ca 0.68 -1.05 -0.29 0.00 -1.81 0.00 0.00 61.98 59.51 1j5h s VAL 19 Cb -0.05 -3.28 -0.04 0.00 0.56 0.00 0.00 36.38 33.57 1j5h s VAL 19 CO 0.01 -0.12 1.76 -0.54 -0.31 0.00 0.00 175.10 175.90 1j5h s LYS 20 N -4.20 3.82 -0.05 4.82 1.02 -1.26 -1.09 119.74 122.81 1j5h s LYS 20 Ca 0.47 1.94 0.05 0.00 0.02 0.00 0.00 55.97 58.45 1j5h s LYS 20 Cb -0.09 -4.09 -0.02 0.00 -0.52 0.00 0.00 37.83 33.10 1j5h s LYS 20 CO 0.31 -1.28 -0.17 0.08 -0.92 0.00 0.00 175.35 173.37 1j5h s VAL 21 N 5.33 2.81 0.18 3.17 1.01 0.26 -1.57 120.40 131.59 1j5h s VAL 21 Ca 0.78 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1j5h s VAL 21 Cb -0.30 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 1j5h s VAL 21 CO 0.32 0.59 0.01 0.00 0.00 0.00 0.00 175.10 176.01 1j5h s ALA 22 N -0.65 1.35 0.00 5.51 0.00 -0.80 -0.03 121.76 127.14 1j5h s ALA 22 Ca 0.10 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1j5h s ALA 22 Cb -0.11 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.60 1j5h s ALA 22 CO 0.00 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1j5h n GLY 23 N -0.25 -1.93 0.00 0.00 0.00 0.15 -1.04 105.19 102.12 1j5h n GLY 23 Ca -0.06 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 0.24 0.00 1.64 4.61 0.00 -0.73 -0.58 120.51 125.69 1j5h n ALA 24 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1j5h n ALA 24 Cb 0.00 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.82 4.02 0.00 0.00 -1.26 -0.69 105.19 106.44 1j5h n GLY 25 Ca 0.00 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.89 -1.24 0.00 0.99 7.94 -0.86 -4.94 117.00 118.00 1j5h n LEU 26 Ca 0.16 -1.19 0.00 0.00 -1.11 0.00 0.00 56.01 53.86 1j5h n LEU 26 Cb 0.07 -1.87 0.00 0.00 0.53 0.00 0.00 43.42 42.15 1j5h n LEU 26 CO 0.12 0.62 0.00 0.00 -1.11 0.00 0.00 177.39 177.01 1j5h n GLN 27 N -4.68 0.00 0.00 1.96 1.13 0.13 -4.61 117.38 111.31 1j5h n GLN 27 Ca -0.18 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 1j5h n GLN 27 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.96 1j5h n GLN 27 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j5h n ALA 28 N -3.00 0.00 -4.39 -1.58 0.00 -1.26 -3.67 120.51 106.61 1j5h n ALA 28 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1j5h n ALA 28 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.42 3.65 0.00 0.00 -1.24 -4.87 105.19 102.31 1j5h n GLY 29 Ca 0.00 0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.27 3.65 0.49 2.61 2.01 -1.26 -4.66 115.64 115.21 1j5h s THR 30 Ca 0.80 -1.41 -0.22 0.00 0.31 0.00 0.00 61.69 61.16 1j5h s THR 30 Cb -0.45 -2.82 -0.09 0.00 0.01 0.00 0.00 72.50 69.16 1j5h s THR 30 CO 0.98 -0.08 0.97 0.00 -0.69 0.00 0.00 174.62 175.80 1j5h n ALA 31 N 0.01 0.14 -3.05 7.40 0.00 -1.26 -0.74 120.51 123.00 1j5h n ALA 31 Ca -0.10 0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 1j5h n ALA 31 Cb 0.55 -2.08 -0.04 0.00 0.00 0.00 0.00 19.45 17.88 1j5h n ALA 31 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1j5h s TYR 32 N -1.38 -0.52 0.24 0.00 2.02 0.16 -4.58 117.35 113.29 1j5h s TYR 32 Ca 0.67 -1.22 -0.31 0.00 -0.37 0.00 0.00 57.07 55.84 1j5h s TYR 32 Cb -0.50 -0.19 -0.12 0.00 -0.40 0.00 0.00 41.96 40.75 1j5h s TYR 32 CO 0.54 -1.09 1.64 -3.47 -1.57 0.00 0.00 175.55 171.60 1j5h n ASP 33 N 3.04 3.81 -4.75 2.29 2.03 0.22 -1.83 116.55 121.37 1j5h n ASP 33 Ca 0.22 1.10 -0.35 0.00 0.52 0.00 0.00 54.79 56.28 1j5h n ASP 33 Cb 0.52 -1.56 0.05 0.00 -0.72 0.00 0.00 41.12 39.41 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 0.58 2.63 0.00 5.18 1.01 0.49 0.60 120.40 130.90 1j5h s VAL 34 Ca 0.70 0.35 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1j5h s VAL 34 Cb -0.52 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1j5h s VAL 34 CO 0.41 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1j5h n GLY 35 N 0.32 5.75 0.00 4.51 0.00 0.99 -4.41 105.19 112.35 1j5h n GLY 35 Ca 0.13 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 0.00 0.00 -4.51 1.61 7.27 -1.26 -4.14 117.38 116.35 1j5h n GLN 36 Ca 0.00 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.81 1j5h n GLN 36 Cb 0.00 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.57 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 -3.21 -0.45 -0.20 0.00 0.00 0.14 0.86 121.76 118.90 1j5h s ALA 38 Ca 0.24 0.86 -0.13 0.00 0.00 0.00 0.00 51.96 52.93 1j5h s ALA 38 Cb 0.02 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 1j5h s ALA 38 CO 0.15 -0.41 0.29 1.67 0.00 0.00 0.00 175.76 177.45 1j5h s TRP 39 N 1.84 3.39 -0.05 0.00 1.48 -1.25 0.75 118.94 125.10 1j5h s TRP 39 Ca -0.03 0.49 0.06 0.00 -1.06 0.00 0.00 56.10 55.55 1j5h s TRP 39 Cb -0.11 -2.38 -0.08 0.00 -1.16 0.00 0.00 33.47 29.74 1j5h s TRP 39 CO -0.08 0.11 0.05 0.28 -4.06 0.00 0.00 176.95 173.25 1j5h n VAL 40 N 4.01 0.33 0.00 -0.66 0.31 0.44 -4.66 118.33 118.10 1j5h n VAL 40 Ca -0.12 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1j5h n VAL 40 Cb 0.52 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 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 -2.12 0.00 -4.54 4.52 10.43 -1.22 -4.91 116.55 118.70 1j5h n ASP 41 Ca -0.08 0.00 -0.20 0.00 2.57 0.00 0.00 54.79 57.07 1j5h n ASP 41 Cb 0.59 0.00 -0.10 0.00 1.84 0.00 0.00 41.12 43.45 1j5h n ASP 41 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1j5h n THR 42 N -0.20 -0.02 0.00 -3.53 -1.04 -1.26 0.15 114.28 108.38 1j5h n THR 42 Ca 0.00 -0.53 0.00 0.00 -2.04 0.00 0.00 64.05 61.48 1j5h n THR 42 Cb 0.00 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 66.79 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 6.42 1.15 2.15 3.41 0.00 -1.26 -4.94 105.19 112.12 1j5h n GLY 43 Ca 0.50 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.40 3.26 -3.18 1.61 0.31 0.40 -4.52 118.33 114.81 1j5h n VAL 44 Ca 0.00 -2.37 -0.45 0.00 -0.01 0.00 0.00 64.34 61.51 1j5h n VAL 44 Cb 0.00 -1.19 -0.04 0.00 -0.91 0.00 0.00 33.84 31.70 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 -3.01 5.75 -0.42 7.52 1.98 -1.24 -0.42 118.68 128.84 1j5h s LEU 45 Ca 0.51 -1.70 -0.23 0.00 -2.89 0.00 0.00 54.13 49.81 1j5h s LEU 45 Cb 0.40 -2.27 0.02 0.00 0.66 0.00 0.00 46.19 45.00 1j5h s LEU 45 CO -0.00 -0.98 0.80 0.00 -1.89 0.00 0.00 176.35 174.28 1j5h s ALA 46 N 2.11 3.33 0.57 5.97 0.00 0.23 -3.95 121.76 130.01 1j5h s ALA 46 Ca 0.11 -0.85 -0.07 0.00 0.00 0.00 0.00 51.96 51.15 1j5h s ALA 46 Cb -0.23 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.41 1j5h s ALA 46 CO 0.03 -1.79 0.90 0.00 0.00 0.00 0.00 175.76 174.90 1j5h s ASN 48 N -4.22 5.03 0.00 0.00 2.47 0.20 -1.16 114.94 117.26 1j5h s ASN 48 Ca 0.52 -3.21 -0.01 0.00 0.42 0.00 0.00 52.86 50.58 1j5h s ASN 48 Cb -0.11 -1.77 -0.03 0.00 -1.45 0.00 0.00 41.25 37.89 1j5h s ASN 48 CO 0.47 -0.25 1.71 -0.81 -3.72 0.00 0.00 177.10 174.50 1j5h n PRO 49 N 2.93 0.87 0.00 0.43 -0.04 -1.26 -2.30 135.00 135.63 1j5h n PRO 49 Ca 0.11 -0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1j5h n PRO 49 Cb 0.36 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 1.78 0.83 -0.32 0.55 0.00 -1.26 -4.86 120.51 117.23 1j5h n ALA 50 Ca 0.05 -0.36 0.11 0.00 0.00 0.00 0.00 53.44 53.23 1j5h n ALA 50 Cb 0.43 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.09 1j5h n ALA 50 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1j5h n ASP 51 N -0.05 -0.19 0.00 0.00 5.68 -0.97 -4.63 116.55 116.38 1j5h n ASP 51 Ca 0.00 1.57 0.00 0.00 -0.50 0.00 0.00 54.79 55.86 1j5h n ASP 51 Cb 0.35 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 39.80 1j5h n ASP 51 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1j5h n PHE 52 N -5.41 0.00 -0.93 2.11 3.01 -1.26 -4.87 117.46 110.11 1j5h n PHE 52 Ca 0.19 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.33 1j5h n PHE 52 Cb 0.61 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.11 1j5h n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1j5h n SER 53 N 1.29 -4.42 -3.60 4.37 7.64 -1.26 -4.67 113.62 112.97 1j5h n SER 53 Ca 0.00 0.31 -0.11 0.00 1.01 0.00 0.00 58.87 60.08 1j5h n SER 53 Cb 0.00 -0.68 -0.06 0.00 -1.01 0.00 0.00 64.21 62.46 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 -0.86 -0.44 0.00 6.43 1.04 -1.26 -0.38 113.70 118.23 1j5h s SER 54 Ca 0.40 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.48 1j5h s SER 54 Cb -0.25 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1j5h s SER 54 CO 0.66 -0.29 0.00 0.55 0.98 0.00 0.00 173.24 175.13 1j5h n VAL 55 N 1.38 0.00 -4.21 5.02 3.14 -0.76 -4.80 118.33 118.09 1j5h n VAL 55 Ca -0.12 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.13 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 -1.86 0.02 0.69 1.55 2.01 -1.26 0.38 115.64 117.16 1j5h s THR 56 Ca 0.00 -2.00 -0.02 0.00 0.31 0.00 0.00 61.69 59.98 1j5h s THR 56 Cb 0.00 -2.50 0.10 0.00 0.01 0.00 0.00 72.50 70.10 1j5h s THR 56 CO 0.00 0.00 0.96 0.00 -0.69 0.00 0.00 174.62 174.89 1j5h s ALA 57 N -4.06 3.57 -0.12 7.40 0.00 0.08 -3.29 121.76 125.34 1j5h s ALA 57 Ca 0.39 -1.46 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 1j5h s ALA 57 Cb 0.06 -2.17 0.02 0.00 0.00 0.00 0.00 23.12 21.04 1j5h s ALA 57 CO 0.14 -1.32 -0.09 0.16 0.00 0.00 0.00 175.76 174.66 1j5h s ASP 58 N -4.63 2.24 0.00 0.00 1.47 0.13 -3.61 116.67 112.26 1j5h s ASP 58 Ca 0.63 -0.33 0.00 0.00 1.18 0.00 0.00 52.55 54.03 1j5h s ASP 58 Cb -0.07 -0.89 0.00 0.00 -0.34 0.00 0.00 42.92 41.61 1j5h s ASP 58 CO 0.43 -0.10 0.00 0.00 0.68 0.00 0.00 175.17 176.18 1j5h n ALA 59 N 4.85 0.00 -0.26 2.11 0.00 -1.26 0.15 120.51 126.10 1j5h n ALA 59 Ca -0.14 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.41 1j5h n ALA 59 Cb 0.50 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.17 1j5h n ALA 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1j5h n ASN 60 N 0.48 -0.09 0.00 0.00 3.02 -1.26 -3.89 115.26 113.52 1j5h n ASN 60 Ca 0.00 1.25 0.00 0.00 -0.03 0.00 0.00 54.58 55.80 1j5h n ASN 60 Cb 0.00 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 1j5h n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j5h n GLY 61 N -1.37 0.75 3.76 7.41 0.00 0.39 -4.25 105.19 111.89 1j5h n GLY 61 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.04 7.15 0.83 1.61 0.15 -1.20 0.22 113.70 121.41 1j5h s SER 62 Ca 0.00 1.37 -0.12 0.00 0.70 0.00 0.00 55.95 57.90 1j5h s SER 62 Cb 0.00 -2.43 0.09 0.00 -1.71 0.00 0.00 66.02 61.97 1j5h s SER 62 CO 0.00 0.08 1.11 0.00 1.20 0.00 0.00 173.24 175.63 1j5h s ALA 63 N -0.29 2.11 -0.30 5.45 0.00 0.25 0.19 121.76 129.17 1j5h s ALA 63 Ca 0.35 -0.27 -0.00 0.00 0.00 0.00 0.00 51.96 52.04 1j5h s ALA 63 Cb -0.20 -3.10 0.19 0.00 0.00 0.00 0.00 23.12 20.01 1j5h s ALA 63 CO 0.21 -1.88 0.59 -1.12 0.00 0.00 0.00 175.76 173.56 1j5h s SER 64 N -3.90 -1.32 0.00 0.00 0.01 -1.21 0.32 113.70 107.60 1j5h s SER 64 Ca 0.62 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.65 1j5h s SER 64 Cb -0.15 2.10 0.00 0.00 0.21 0.00 0.00 66.02 68.18 1j5h s SER 64 CO 0.54 -0.27 0.00 1.07 0.41 0.00 0.00 173.24 174.99 1j5h n THR 65 N 5.43 0.00 -3.02 1.44 5.66 0.95 -4.77 114.28 119.96 1j5h n THR 65 Ca -0.01 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.59 1j5h n THR 65 Cb 0.51 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.24 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 0.00 6.84 -0.12 1.09 0.01 -1.26 0.92 113.70 121.19 1j5h s SER 66 Ca 0.00 1.03 -0.00 0.00 1.31 0.00 0.00 55.95 58.29 1j5h s SER 66 Cb 0.00 -2.40 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 1j5h s SER 66 CO 0.00 -0.29 -0.12 -0.76 0.41 0.00 0.00 173.24 172.49 1j5h s LEU 67 N 1.77 2.81 -0.78 2.44 1.02 -0.25 -4.83 118.68 120.86 1j5h s LEU 67 Ca 0.34 -0.27 -0.26 0.00 0.02 0.00 0.00 54.13 53.96 1j5h s LEU 67 Cb -0.16 -1.63 0.02 0.00 0.02 0.00 0.00 46.19 44.44 1j5h s LEU 67 CO 0.13 0.19 1.44 0.28 0.02 0.00 0.00 176.35 178.41 1j5h s THR 68 N 0.19 3.68 -0.54 5.49 -1.32 -1.26 -1.93 115.64 119.95 1j5h s THR 68 Ca -0.07 0.12 -0.20 0.00 -1.21 0.00 0.00 61.69 60.34 1j5h s THR 68 Cb -0.15 -4.73 -0.18 0.00 -1.51 0.00 0.00 72.50 65.93 1j5h s THR 68 CO 0.05 -1.67 1.79 0.52 -2.21 0.00 0.00 174.62 173.10 1j5h n VAL 69 N 6.69 1.32 -1.71 5.08 0.31 -0.88 -4.64 118.33 124.50 1j5h n VAL 69 Ca 0.13 -1.04 -0.43 0.00 -0.01 0.00 0.00 64.34 62.99 1j5h n VAL 69 Cb 0.50 -2.14 -0.03 0.00 -0.91 0.00 0.00 33.84 31.26 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 6.61 2.50 0.00 5.55 1.74 -1.26 -3.01 116.66 128.78 1j5h n ARG 70 Ca 0.44 0.89 0.00 0.00 -0.77 0.00 0.00 57.85 58.41 1j5h n ARG 70 Cb 0.33 -2.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.10 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 2.85 0.00 -3.28 5.56 0.63 -1.26 -4.77 116.66 116.39 1j5h n ARG 71 Ca 0.13 0.05 -0.38 0.00 -0.92 0.00 0.00 57.85 56.72 1j5h n ARG 71 Cb 0.34 -0.32 -0.06 0.00 0.45 0.00 0.00 32.46 32.87 1j5h n ARG 71 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1j5h s SER 72 N -1.58 6.81 0.00 6.15 0.15 -1.26 -1.20 113.70 122.77 1j5h s SER 72 Ca 0.00 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.61 1j5h s SER 72 Cb 0.00 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 1j5h s SER 72 CO 0.00 0.06 0.00 2.22 1.20 0.00 0.00 173.24 176.72 1j5h n PHE 73 N 3.20 -0.08 -3.85 3.44 1.16 -0.66 -4.91 117.46 115.76 1j5h n PHE 73 Ca -0.07 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.15 1j5h n PHE 73 Cb 0.51 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.33 1j5h n PHE 73 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1j5h s GLU 74 N 0.06 3.48 0.33 3.97 2.02 -1.26 0.15 118.70 127.45 1j5h s GLU 74 Ca 0.00 -0.13 -0.06 0.00 0.02 0.00 0.00 54.97 54.80 1j5h s GLU 74 Cb 0.00 -3.17 0.02 0.00 0.10 0.00 0.00 34.13 31.09 1j5h s GLU 74 CO 0.00 0.74 0.54 0.41 0.02 0.00 0.00 175.26 176.97 1j5h n GLY 75 N 1.71 1.78 3.39 -1.39 0.00 -1.15 -4.60 105.19 104.93 1j5h n GLY 75 Ca -0.17 -1.45 -0.14 0.00 0.00 0.00 0.00 46.02 44.26 1j5h n GLY 75 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j5h s PHE 76 N -3.07 -0.50 0.04 1.61 0.40 -0.30 -1.46 117.98 114.68 1j5h s PHE 76 Ca 0.22 1.15 -0.22 0.00 -0.60 0.00 0.00 56.93 57.48 1j5h s PHE 76 Cb -0.02 0.20 -0.15 0.00 0.51 0.00 0.00 43.02 43.56 1j5h s PHE 76 CO 0.16 -0.32 1.40 -0.07 0.70 0.00 0.00 175.22 177.09 1j5h h LEU 77 N 4.86 0.23 0.06 -0.37 4.07 -1.48 0.39 115.31 123.07 1j5h h LEU 77 Ca -0.28 -0.39 -0.03 0.00 0.08 0.00 0.00 57.88 57.26 1j5h h LEU 77 Cb 1.17 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.84 1j5h h LEU 77 CO 0.24 0.57 -0.02 0.33 -1.08 0.00 0.00 178.44 178.48 1j5h n PHE 78 N -4.73 0.00 -2.01 1.13 7.35 -1.26 -4.69 117.46 113.26 1j5h n PHE 78 Ca -0.06 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.61 1j5h n PHE 78 Cb 0.26 -0.56 0.00 0.00 0.35 0.00 0.00 39.48 39.53 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 0.59 -0.38 0.11 -2.13 2.03 -1.26 -5.02 116.55 110.49 1j5h n ASP 79 Ca -0.01 -0.94 0.00 0.00 0.52 0.00 0.00 54.79 54.36 1j5h n ASP 79 Cb 0.08 0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 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 -0.20 -1.71 3.94 0.27 0.00 -1.26 -4.95 105.19 101.28 1j5h n GLY 80 Ca -0.08 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1j5h n GLY 80 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j5h s THR 81 N -1.80 0.00 0.67 2.61 -1.32 -1.26 -5.07 115.64 109.48 1j5h s THR 81 Ca 0.00 -0.33 -0.11 0.00 -1.21 0.00 0.00 61.69 60.04 1j5h s THR 81 Cb 0.00 -2.91 -0.01 0.00 -1.51 0.00 0.00 72.50 68.07 1j5h s THR 81 CO 0.00 0.00 1.06 0.00 -2.21 0.00 0.00 174.62 173.47 1j5h s ARG 82 N -2.08 3.14 0.11 7.08 1.70 -1.26 -1.82 118.95 125.81 1j5h s ARG 82 Ca 0.26 0.77 -0.02 0.00 -0.47 0.00 0.00 55.73 56.28 1j5h s ARG 82 Cb -0.01 -2.03 0.01 0.00 -0.57 0.00 0.00 34.95 32.35 1j5h s ARG 82 CO 0.02 -0.91 0.17 1.87 -1.08 0.00 0.00 175.30 175.36 1j5h n TRP 83 N -2.98 -0.93 0.00 5.89 -0.00 -0.54 -4.74 117.44 114.15 1j5h n TRP 83 Ca 0.07 -0.64 0.00 0.00 -0.00 0.00 0.00 57.50 56.93 1j5h n TRP 83 Cb 0.54 0.19 0.00 0.00 -0.00 0.00 0.00 31.31 32.05 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 -0.16 0.21 4.28 5.87 0.00 -1.16 -2.91 105.19 111.32 1j5h n GLY 84 Ca -0.01 -2.30 -0.38 0.00 0.00 0.00 0.00 46.02 43.34 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 -3.96 2.61 5.66 0.40 -4.76 114.28 114.23 1j5h n THR 85 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 1j5h n THR 85 Cb 0.00 -0.44 -0.10 0.00 -1.55 0.00 0.00 70.33 68.24 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 -3.07 0.14 -0.85 1.08 0.11 -0.97 -4.92 120.40 111.91 1j5h s VAL 86 Ca 0.74 -1.12 -0.25 0.00 -2.93 0.00 0.00 61.98 58.41 1j5h s VAL 86 Cb -0.43 -0.80 0.04 0.00 -1.53 0.00 0.00 36.38 33.66 1j5h s VAL 86 CO 0.91 -0.62 1.34 1.51 -3.33 0.00 0.00 175.10 174.91 1j5h s ASP 87 N -2.03 6.29 0.53 3.54 3.84 -1.26 -1.65 116.67 125.94 1j5h s ASP 87 Ca -0.07 -0.84 0.46 0.00 -0.00 0.00 0.00 52.55 52.10 1j5h s ASP 87 Cb -0.02 -2.56 1.68 0.00 -1.38 0.00 0.00 42.92 40.64 1j5h s ASP 87 CO -0.04 -1.71 1.58 0.00 -0.00 0.00 0.00 175.17 175.00 1j5h h THR 89 N 0.00 0.13 0.00 0.00 1.03 -1.83 2.93 112.91 115.18 1j5h h THR 89 Ca 0.92 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 67.26 1j5h h THR 89 Cb 3.52 0.22 -0.01 0.00 -1.07 0.00 0.00 68.15 70.82 1j5h h THR 89 CO -0.11 0.00 -0.26 0.74 -0.01 0.00 0.00 175.52 175.88 1j5h h THR 90 N 0.00 0.84 -0.07 0.00 2.02 0.17 -2.98 112.91 112.89 1j5h h THR 90 Ca 0.43 -1.01 -0.12 0.00 0.77 0.00 0.00 66.41 66.47 1j5h h THR 90 Cb 2.37 1.61 -0.22 0.00 -1.74 0.00 0.00 68.15 70.17 1j5h h THR 90 CO -0.00 0.25 -0.79 0.00 0.37 0.00 0.00 175.52 175.35 1j5h n ALA 91 N -2.33 3.12 -1.49 6.16 0.00 0.96 -5.04 120.51 121.88 1j5h n ALA 91 Ca -0.01 -2.89 -0.06 0.00 0.00 0.00 0.00 53.44 50.48 1j5h n ALA 91 Cb 0.36 -0.55 0.01 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.36 -1.32 -0.90 0.00 0.00 0.37 -3.87 120.51 114.42 1j5h n ALA 92 Ca 0.14 0.05 -0.04 0.00 0.00 0.00 0.00 53.44 53.59 1j5h n ALA 92 Cb 0.91 -0.40 0.06 0.00 0.00 0.00 0.00 19.45 20.03 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 -3.53 0.74 -0.24 0.00 0.00 0.25 -1.99 119.66 114.90 1j5h s GLN 94 Ca 0.16 -0.59 0.02 0.00 -0.00 0.00 0.00 55.36 54.95 1j5h s GLN 94 Cb -0.02 0.31 0.06 0.00 0.00 0.00 0.00 33.01 33.36 1j5h s GLN 94 CO 0.13 -0.22 -0.08 0.08 0.00 0.00 0.00 175.29 175.20 1j5h s VAL 95 N -2.58 1.76 0.29 3.63 1.01 -0.62 -1.22 120.40 122.67 1j5h s VAL 95 Ca -0.05 -1.33 0.04 0.00 0.00 0.00 0.00 61.98 60.64 1j5h s VAL 95 Cb -0.01 -1.95 -0.06 0.00 0.00 0.00 0.00 36.38 34.36 1j5h s VAL 95 CO -0.04 -0.04 0.02 -0.83 0.00 0.00 0.00 175.10 174.21 1j5h s GLY 96 N 1.30 1.91 0.31 4.51 0.00 -1.26 -4.52 107.32 109.56 1j5h s GLY 96 Ca -0.06 -1.96 -0.05 0.00 0.00 0.00 0.00 44.72 42.64 1j5h s GLY 96 CO -0.06 -1.79 0.58 1.08 0.00 0.00 0.00 173.10 172.91 1j5h s LEU 97 N -3.44 4.03 -0.01 0.66 2.01 -1.26 -0.01 118.68 120.66 1j5h s LEU 97 Ca 0.33 0.75 0.02 0.00 0.01 0.00 0.00 54.13 55.24 1j5h s LEU 97 Cb 0.07 -3.58 0.00 0.00 0.01 0.00 0.00 46.19 42.70 1j5h s LEU 97 CO 0.13 -0.23 -0.06 -0.44 1.01 0.00 0.00 176.35 176.77 1j5h s SER 98 N -3.21 0.76 0.50 2.29 0.01 0.20 -4.75 113.70 109.51 1j5h s SER 98 Ca 0.45 -0.11 0.08 0.00 1.31 0.00 0.00 55.95 57.67 1j5h s SER 98 Cb -0.11 -0.17 0.04 0.00 0.21 0.00 0.00 66.02 65.99 1j5h s SER 98 CO 0.30 0.04 0.56 1.51 0.41 0.00 0.00 173.24 176.07 1j5h s ASP 99 N 0.15 5.06 -0.26 2.44 1.47 -1.26 0.73 116.67 125.00 1j5h s ASP 99 Ca -0.01 -0.85 0.00 0.00 1.18 0.00 0.00 52.55 52.86 1j5h s ASP 99 Cb -0.06 -0.03 0.24 0.00 -0.34 0.00 0.00 42.92 42.73 1j5h s ASP 99 CO -0.00 -1.03 1.79 0.00 0.68 0.00 0.00 175.17 176.61 1j5h n ALA 100 N -1.90 4.62 0.00 2.11 0.00 -1.26 -2.84 120.51 121.24 1j5h n ALA 100 Ca 0.07 -1.47 0.00 0.00 0.00 0.00 0.00 53.44 52.04 1j5h n ALA 100 Cb 0.62 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 0.16 0.00 -0.06 0.00 0.00 -1.26 -4.99 120.51 114.36 1j5h n ALA 101 Ca 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.66 1j5h n ALA 101 Cb 0.75 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.14 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 0.00 0.00 0.00 0.00 -1.96 -3.48 103.07 97.62 1j5h h GLY 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1j5h h GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.53 1j5h n ASN 103 N -4.70 0.00 -0.09 0.19 5.15 -1.13 -4.86 115.26 109.82 1j5h n ASN 103 Ca -0.05 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 53.94 1j5h n ASN 103 Cb 0.22 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.47 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 -2.15 3.79 8.20 0.00 -1.26 -4.79 105.19 108.98 1j5h n GLY 104 Ca 0.00 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.62 3.90 0.00 1.61 0.04 -1.26 -4.89 135.00 133.78 1j5h s PRO 105 Ca 0.00 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1j5h s PRO 105 Cb 0.00 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1j5h s PRO 105 CO 0.00 -0.35 0.00 0.39 0.04 0.00 0.00 177.00 177.08 1j5h n GLU 106 N -0.71 0.00 0.00 4.56 4.71 -1.26 -4.78 120.64 123.16 1j5h n GLU 106 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.23 1j5h n GLU 106 Cb 0.52 -0.08 0.00 0.00 -1.01 0.00 0.00 31.44 30.86 1j5h n GLU 106 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1j5h n GLY 107 N 2.36 0.25 2.93 0.62 0.00 -1.26 -4.30 105.19 105.80 1j5h n GLY 107 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 4.30 -1.90 1.61 0.31 -1.26 -5.01 118.33 116.37 1j5h n VAL 108 Ca 0.00 -5.61 -0.43 0.00 -0.01 0.00 0.00 64.34 58.29 1j5h n VAL 108 Cb 0.00 -2.18 -0.03 0.00 -0.91 0.00 0.00 33.84 30.72 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 -2.36 2.87 0.11 3.52 0.00 -1.26 -1.59 121.76 123.05 1j5h s ALA 109 Ca 0.32 0.42 0.06 0.00 0.00 0.00 0.00 51.96 52.77 1j5h s ALA 109 Cb 0.04 -4.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.10 1j5h s ALA 109 CO 0.03 -2.61 -0.03 0.42 0.00 0.00 0.00 175.76 173.56 1j5h s ILE 110 N 7.10 3.74 -0.55 0.00 1.01 -0.84 -4.99 121.20 126.67 1j5h s ILE 110 Ca 0.85 -1.17 -0.22 0.00 0.00 0.00 0.00 60.65 60.10 1j5h s ILE 110 Cb -0.26 -2.79 0.05 0.00 0.01 0.00 0.00 42.46 39.47 1j5h s ILE 110 CO 0.34 0.07 0.84 -0.55 0.00 0.00 0.00 174.94 175.64 1j5h s SER 111 N -2.41 6.28 -0.19 3.58 0.15 -0.69 -4.29 113.70 116.13 1j5h s SER 111 Ca 0.25 -0.63 -0.15 0.00 0.70 0.00 0.00 55.95 56.11 1j5h s SER 111 Cb -0.11 -2.39 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 1j5h s SER 111 CO 0.17 -1.15 0.35 -0.36 1.20 0.00 0.00 173.24 173.45 1j5h s PHE 112 N 3.53 3.40 0.00 3.44 0.40 -1.26 -0.34 117.98 127.15 1j5h s PHE 112 Ca 0.24 0.59 0.00 0.00 -0.60 0.00 0.00 56.93 57.16 1j5h s PHE 112 Cb -0.15 -2.45 0.00 0.00 0.51 0.00 0.00 43.02 40.92 1j5h s PHE 112 CO 0.15 0.08 0.00 -1.71 0.70 0.00 0.00 175.22 174.44