#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 0.00 0.10 0.00 0.00 -1.26 -4.90 120.51 114.44 1j5h n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j5h n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.75 -3.69 0.00 -0.04 -1.26 -3.52 135.00 127.24 1j5h n PRO 3 Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 1j5h n PRO 3 Cb 0.00 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1j5h n PRO 3 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1j5h s THR 4 N 0.39 0.00 0.33 0.52 -4.23 0.34 -4.79 115.64 108.20 1j5h s THR 4 Ca 0.00 -0.17 0.09 0.00 -1.18 0.00 0.00 61.69 60.43 1j5h s THR 4 Cb 0.00 -2.22 -0.05 0.00 1.34 0.00 0.00 72.50 71.58 1j5h s THR 4 CO 0.00 0.00 0.07 0.00 -0.54 0.00 0.00 174.62 174.15 1j5h s ALA 5 N -2.25 3.34 0.06 3.99 0.00 -1.25 0.84 121.76 126.48 1j5h s ALA 5 Ca 0.18 -1.85 -0.13 0.00 0.00 0.00 0.00 51.96 50.16 1j5h s ALA 5 Cb 0.04 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.58 1j5h s ALA 5 CO -0.04 0.08 0.29 0.95 0.00 0.00 0.00 175.76 177.04 1j5h s THR 6 N -2.45 0.09 0.07 0.00 -4.23 -0.62 -4.17 115.64 104.32 1j5h s THR 6 Ca 0.36 -0.76 0.09 0.00 -1.18 0.00 0.00 61.69 60.20 1j5h s THR 6 Cb -0.02 -1.02 -0.03 0.00 1.34 0.00 0.00 72.50 72.77 1j5h s THR 6 CO 0.21 -0.42 -0.25 0.54 -0.54 0.00 0.00 174.62 174.16 1j5h s VAL 7 N -2.86 2.32 0.18 2.29 0.11 -1.26 -1.60 120.40 119.58 1j5h s VAL 7 Ca -0.03 -1.45 -0.15 0.00 -2.93 0.00 0.00 61.98 57.42 1j5h s VAL 7 Cb 0.00 -1.95 0.17 0.00 -1.53 0.00 0.00 36.38 33.07 1j5h s VAL 7 CO -0.05 0.28 1.24 0.41 -3.33 0.00 0.00 175.10 173.65 1j5h n THR 8 N 1.48 -0.43 0.00 5.04 -1.04 -0.55 -4.38 114.28 114.40 1j5h n THR 8 Ca -0.17 1.87 0.00 0.00 -2.04 0.00 0.00 64.05 63.71 1j5h n THR 8 Cb 0.52 -2.46 0.00 0.00 -1.82 0.00 0.00 70.33 66.57 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 -5.16 1.37 0.00 -2.82 -0.04 -1.26 -5.02 135.00 122.08 1j5h n PRO 9 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1j5h n PRO 9 Cb 0.31 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.77 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 -3.62 3.54 2.88 -1.26 -5.06 113.62 110.10 1j5h n SER 10 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 1j5h n SER 10 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 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 0.00 -0.43 -0.39 -3.46 1.04 -1.25 0.19 113.70 109.40 1j5h s SER 11 Ca 0.00 0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.75 1j5h s SER 11 Cb 0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1j5h s SER 11 CO 0.00 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1j5h n GLY 12 N 0.84 0.55 0.00 7.32 0.00 0.66 -4.90 105.19 109.66 1j5h n GLY 12 Ca -0.19 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.47 0.00 -3.48 0.99 4.32 -0.60 -4.84 117.00 112.92 1j5h n LEU 13 Ca -0.04 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.83 1j5h n LEU 13 Cb 0.24 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.01 1j5h n LEU 13 CO 0.06 -0.02 0.34 -0.55 -1.22 0.00 0.00 177.39 176.00 1j5h s SER 14 N -1.22 -0.49 -0.68 -1.43 0.15 -1.26 -4.52 113.70 104.24 1j5h s SER 14 Ca 0.00 -0.03 -0.25 0.00 0.70 0.00 0.00 55.95 56.37 1j5h s SER 14 Cb 0.00 0.56 -0.13 0.00 -1.71 0.00 0.00 66.02 64.74 1j5h s SER 14 CO 0.00 -0.91 2.44 -0.67 1.20 0.00 0.00 173.24 175.30 1j5h n ASP 15 N -0.24 1.61 -0.06 5.45 4.64 -1.26 0.11 116.55 126.79 1j5h n ASP 15 Ca -0.17 -0.69 0.00 0.00 -1.38 0.00 0.00 54.79 52.55 1j5h n ASP 15 Cb 0.64 -1.44 0.00 0.00 -1.04 0.00 0.00 41.12 39.28 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 6.26 1.20 3.57 0.27 0.00 -0.41 -4.66 105.19 111.43 1j5h n GLY 16 Ca 0.46 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.11 3.52 -0.24 2.61 2.01 0.12 -4.51 115.64 117.04 1j5h s THR 17 Ca 0.00 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 60.95 1j5h s THR 17 Cb 0.00 -4.41 -0.02 0.00 0.01 0.00 0.00 72.50 68.08 1j5h s THR 17 CO 0.00 -0.99 1.54 -0.69 -0.69 0.00 0.00 174.62 173.79 1j5h s VAL 18 N 10.63 3.80 0.32 3.82 1.01 -1.26 -1.62 120.40 137.10 1j5h s VAL 18 Ca 0.69 0.90 0.03 0.00 0.00 0.00 0.00 61.98 63.60 1j5h s VAL 18 Cb -0.03 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1j5h s VAL 18 CO 0.09 -0.34 0.35 1.33 0.00 0.00 0.00 175.10 176.53 1j5h n VAL 19 N 6.36 0.00 -2.74 2.92 0.24 -0.47 -4.95 118.33 119.70 1j5h n VAL 19 Ca 0.18 -1.99 -0.36 0.00 -2.04 0.00 0.00 64.34 60.13 1j5h n VAL 19 Cb 0.46 1.08 -0.06 0.00 -1.47 0.00 0.00 33.84 33.85 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 -3.03 4.39 0.01 7.34 2.20 -1.26 -0.24 119.74 129.14 1j5h s LYS 20 Ca 0.33 1.31 0.00 0.00 -0.36 0.00 0.00 55.97 57.25 1j5h s LYS 20 Cb 0.01 -2.57 -0.01 0.00 -1.51 0.00 0.00 37.83 33.75 1j5h s LYS 20 CO 0.23 0.09 -0.03 0.54 -0.36 0.00 0.00 175.35 175.83 1j5h s VAL 21 N -1.78 0.13 0.05 4.02 0.11 0.30 -1.48 120.40 121.74 1j5h s VAL 21 Ca 0.55 -0.58 -0.11 0.00 -2.93 0.00 0.00 61.98 58.91 1j5h s VAL 21 Cb -0.17 -0.21 0.01 0.00 -1.53 0.00 0.00 36.38 34.48 1j5h s VAL 21 CO 0.22 -0.29 0.24 0.00 -3.33 0.00 0.00 175.10 171.93 1j5h s ALA 22 N -0.90 -0.48 0.00 1.54 0.00 -0.62 -0.01 121.76 121.30 1j5h s ALA 22 Ca -0.09 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1j5h s ALA 22 Cb -0.06 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.38 1j5h s ALA 22 CO -0.01 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.77 1j5h n GLY 23 N 0.57 -2.71 0.00 0.00 0.00 0.56 -1.60 105.19 102.01 1j5h n GLY 23 Ca -0.18 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.14 0.00 1.60 4.61 0.00 0.25 -1.63 120.51 125.20 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 -0.80 3.62 0.00 0.00 -1.26 0.13 105.19 106.88 1j5h n GLY 25 Ca 0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.83 -3.09 0.00 0.99 7.94 -1.05 -4.85 117.00 116.11 1j5h n LEU 26 Ca 0.13 -0.79 0.00 0.00 -1.11 0.00 0.00 56.01 54.24 1j5h n LEU 26 Cb 0.06 -2.16 0.00 0.00 0.53 0.00 0.00 43.42 41.85 1j5h n LEU 26 CO 0.10 0.07 0.00 1.67 -1.11 0.00 0.00 177.39 178.12 1j5h n GLN 27 N -2.89 0.00 0.00 1.96 -0.06 0.20 -4.60 117.38 111.99 1j5h n GLN 27 Ca -0.19 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.81 1j5h n GLN 27 Cb 0.62 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.80 1j5h n GLN 27 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j5h n ALA 28 N -3.00 0.00 -4.10 1.69 0.00 -1.26 -3.93 120.51 109.91 1j5h n ALA 28 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 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 -0.21 3.25 0.00 0.00 -1.22 -4.86 105.19 102.16 1j5h n GLY 29 Ca 0.00 0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.03 1.46 0.65 2.61 2.01 -1.26 -4.78 115.64 112.30 1j5h s THR 30 Ca 0.08 -1.62 -0.17 0.00 0.31 0.00 0.00 61.69 60.28 1j5h s THR 30 Cb -0.04 -1.49 -0.05 0.00 0.01 0.00 0.00 72.50 70.92 1j5h s THR 30 CO 0.93 -0.27 0.66 0.00 -0.69 0.00 0.00 174.62 175.24 1j5h n ALA 31 N 0.78 -0.93 -3.14 7.40 0.00 -1.26 -1.26 120.51 122.09 1j5h n ALA 31 Ca -0.17 -0.12 -0.18 0.00 0.00 0.00 0.00 53.44 52.96 1j5h n ALA 31 Cb 0.56 -1.92 -0.06 0.00 0.00 0.00 0.00 19.45 18.03 1j5h n ALA 31 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1j5h n TYR 32 N -2.07 -1.96 -1.56 0.00 4.01 0.15 -4.71 117.16 111.02 1j5h n TYR 32 Ca 0.12 -2.62 -0.47 0.00 -0.16 0.00 0.00 57.90 54.77 1j5h n TYR 32 Cb 0.49 0.68 -0.05 0.00 -0.31 0.00 0.00 39.34 40.15 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 2.72 2.91 -4.58 7.72 4.64 0.59 -1.73 116.55 128.82 1j5h n ASP 33 Ca 0.25 0.48 -0.34 0.00 -1.38 0.00 0.00 54.79 53.80 1j5h n ASP 33 Cb 0.52 -1.40 0.12 0.00 -1.04 0.00 0.00 41.12 39.31 1j5h n ASP 33 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 1j5h n VAL 34 N 6.87 1.25 -3.69 5.18 0.31 0.11 0.14 118.33 128.50 1j5h n VAL 34 Ca 0.32 -0.22 -0.10 0.00 -0.01 0.00 0.00 64.34 64.33 1j5h n VAL 34 Cb 0.33 -0.94 -0.10 0.00 -0.91 0.00 0.00 33.84 32.22 1j5h n VAL 34 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1j5h s GLY 35 N -2.02 -0.37 -0.24 2.92 0.00 -0.12 -4.44 107.32 103.05 1j5h s GLY 35 Ca 0.67 1.60 0.02 0.00 0.00 0.00 0.00 44.72 47.01 1j5h s GLY 35 CO 0.57 1.68 -0.12 1.20 0.00 0.00 0.00 173.10 176.43 1j5h s GLN 36 N 1.23 2.49 0.36 2.90 -0.21 -1.26 -1.70 119.66 123.46 1j5h s GLN 36 Ca -0.08 -1.18 0.03 0.00 0.02 0.00 0.00 55.36 54.15 1j5h s GLN 36 Cb -0.07 -2.84 -0.04 0.00 1.00 0.00 0.00 33.01 31.06 1j5h s GLN 36 CO -0.11 -0.47 0.11 0.00 -2.12 0.00 0.00 175.29 172.70 1j5h s ALA 38 N -3.34 1.70 -0.66 0.00 0.00 0.17 0.19 121.76 119.81 1j5h s ALA 38 Ca 0.30 -2.36 -0.27 0.00 0.00 0.00 0.00 51.96 49.63 1j5h s ALA 38 Cb 0.05 -1.77 0.02 0.00 0.00 0.00 0.00 23.12 21.42 1j5h s ALA 38 CO 0.15 -2.07 1.35 1.67 0.00 0.00 0.00 175.76 176.86 1j5h s TRP 39 N 0.53 2.27 0.00 0.00 1.48 -1.26 -0.84 118.94 121.12 1j5h s TRP 39 Ca 0.19 0.22 0.00 0.00 -1.06 0.00 0.00 56.10 55.45 1j5h s TRP 39 Cb -0.21 -4.51 0.00 0.00 -1.16 0.00 0.00 33.47 27.59 1j5h s TRP 39 CO -0.02 -2.00 0.00 0.28 -4.06 0.00 0.00 176.95 171.15 1j5h n VAL 40 N 6.61 0.00 -1.01 -0.66 0.31 -0.55 -4.70 118.33 118.33 1j5h n VAL 40 Ca 0.08 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.26 1j5h n VAL 40 Cb 0.49 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.37 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 5.92 0.00 4.52 2.03 -1.26 -4.87 116.55 122.89 1j5h n ASP 41 Ca 0.00 -2.82 0.00 0.00 0.52 0.00 0.00 54.79 52.49 1j5h n ASP 41 Cb 0.00 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 39.18 1j5h n ASP 41 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1j5h n THR 42 N 1.30 0.00 0.19 5.18 -1.04 -1.26 -3.41 114.28 115.24 1j5h n THR 42 Ca 0.33 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.38 1j5h n THR 42 Cb 0.65 0.00 0.22 0.00 -1.82 0.00 0.00 70.33 69.37 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 0.00 -0.76 2.75 3.41 0.00 -1.26 -2.67 105.19 106.66 1j5h n GLY 43 Ca 0.00 0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.68 4.65 -3.28 1.61 0.31 -1.22 -4.74 118.33 113.97 1j5h n VAL 44 Ca 0.01 -5.59 -0.46 0.00 -0.01 0.00 0.00 64.34 58.29 1j5h n VAL 44 Cb 0.07 -1.45 -0.04 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 -4.00 6.20 -0.85 7.52 2.96 -1.09 -1.48 118.68 127.94 1j5h s LEU 45 Ca 0.44 -1.94 -0.25 0.00 -0.22 0.00 0.00 54.13 52.15 1j5h s LEU 45 Cb 0.26 -2.22 0.03 0.00 0.50 0.00 0.00 46.19 44.76 1j5h s LEU 45 CO -0.17 -0.83 1.40 0.00 -1.32 0.00 0.00 176.35 175.42 1j5h s ALA 46 N 1.44 2.67 0.18 5.97 0.00 -0.02 -4.09 121.76 127.91 1j5h s ALA 46 Ca 0.08 -1.68 -0.25 0.00 0.00 0.00 0.00 51.96 50.10 1j5h s ALA 46 Cb -0.25 -4.38 -0.08 0.00 0.00 0.00 0.00 23.12 18.42 1j5h s ALA 46 CO 0.01 -3.50 0.79 0.00 0.00 0.00 0.00 175.76 173.05 1j5h s ASN 48 N -1.19 5.43 0.00 0.00 2.47 0.18 0.31 114.94 122.14 1j5h s ASN 48 Ca 0.37 -2.58 0.00 0.00 0.42 0.00 0.00 52.86 51.07 1j5h s ASN 48 Cb -0.23 -1.90 0.00 0.00 -1.45 0.00 0.00 41.25 37.67 1j5h s ASN 48 CO 0.26 -0.46 1.29 -0.81 -3.72 0.00 0.00 177.10 173.66 1j5h n PRO 49 N 3.90 0.75 0.00 0.43 -0.04 -1.26 -2.29 135.00 136.49 1j5h n PRO 49 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1j5h n PRO 49 Cb 0.40 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 1.34 1.64 -0.28 0.55 0.00 -1.26 -4.79 120.51 117.70 1j5h n ALA 50 Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 53.44 53.14 1j5h n ALA 50 Cb 0.38 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.24 0.00 0.00 3.04 -1.77 -3.43 116.42 113.02 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 0.13 0.64 0.00 0.00 -1.04 0.00 0.00 39.33 39.06 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 -5.46 0.00 -0.67 4.15 7.35 -1.26 -4.89 117.46 116.68 1j5h n PHE 52 Ca 0.07 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.55 1j5h n PHE 52 Cb 0.38 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.21 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 1.36 -1.63 -3.77 -2.13 7.64 -1.26 -4.56 113.62 109.27 1j5h n SER 53 Ca 0.00 0.40 -0.13 0.00 1.01 0.00 0.00 58.87 60.15 1j5h n SER 53 Cb 0.00 -0.46 -0.11 0.00 -1.01 0.00 0.00 64.21 62.63 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 -0.52 -0.29 0.38 6.43 1.04 -1.26 0.05 113.70 119.53 1j5h s SER 54 Ca 0.31 0.56 0.06 0.00 0.48 0.00 0.00 55.95 57.35 1j5h s SER 54 Cb -0.31 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.33 1j5h s SER 54 CO 0.33 -0.11 0.20 0.54 0.98 0.00 0.00 173.24 175.19 1j5h s VAL 55 N 0.30 0.29 0.08 5.02 0.11 -0.71 -4.86 120.40 120.63 1j5h s VAL 55 Ca -0.01 -2.00 0.05 0.00 -2.93 0.00 0.00 61.98 57.09 1j5h s VAL 55 Cb -0.03 -2.38 -0.03 0.00 -1.53 0.00 0.00 36.38 32.41 1j5h s VAL 55 CO -0.01 0.00 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.73 1j5h s THR 56 N -3.29 1.16 0.68 5.04 2.01 -1.26 0.33 115.64 120.32 1j5h s THR 56 Ca 0.30 -1.39 -0.11 0.00 0.31 0.00 0.00 61.69 60.81 1j5h s THR 56 Cb 0.02 -1.17 0.01 0.00 0.01 0.00 0.00 72.50 71.37 1j5h s THR 56 CO 0.21 -0.26 1.07 0.00 -0.69 0.00 0.00 174.62 174.94 1j5h s ALA 57 N -1.44 2.96 -0.15 7.40 0.00 -0.39 -3.64 121.76 126.50 1j5h s ALA 57 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1j5h s ALA 57 Cb -0.09 -2.97 0.03 0.00 0.00 0.00 0.00 23.12 20.08 1j5h s ALA 57 CO 0.02 -1.06 -0.12 0.16 0.00 0.00 0.00 175.76 174.77 1j5h s ASP 58 N -4.34 2.70 0.00 0.00 1.47 0.16 -3.37 116.67 113.28 1j5h s ASP 58 Ca 0.57 -0.52 0.00 0.00 1.18 0.00 0.00 52.55 53.78 1j5h s ASP 58 Cb -0.11 -1.10 0.00 0.00 -0.34 0.00 0.00 42.92 41.37 1j5h s ASP 58 CO 0.51 -0.09 0.00 0.00 0.68 0.00 0.00 175.17 176.27 1j5h n ALA 59 N 4.80 0.00 -0.31 2.11 0.00 -1.26 0.16 120.51 126.01 1j5h n ALA 59 Ca -0.15 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.49 1j5h n ALA 59 Cb 0.49 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.33 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 0.56 0.08 0.00 0.00 4.13 -1.26 -3.97 115.26 114.80 1j5h n ASN 60 Ca 0.00 1.54 0.00 0.00 1.68 0.00 0.00 54.58 57.80 1j5h n ASN 60 Cb 0.00 -0.64 0.00 0.00 -1.54 0.00 0.00 39.78 37.60 1j5h n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1j5h n GLY 61 N -1.36 1.03 3.80 7.41 0.00 0.41 -4.19 105.19 112.30 1j5h n GLY 61 Ca 0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 1j5h n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j5h s SER 62 N -1.12 7.16 0.87 1.61 0.01 -1.20 0.59 113.70 121.61 1j5h s SER 62 Ca 0.00 1.57 -0.12 0.00 1.31 0.00 0.00 55.95 58.71 1j5h s SER 62 Cb 0.00 -2.48 0.11 0.00 0.21 0.00 0.00 66.02 63.86 1j5h s SER 62 CO 0.00 -0.00 1.15 0.00 0.41 0.00 0.00 173.24 174.80 1j5h s ALA 63 N -1.55 2.16 -0.30 1.44 0.00 -0.64 0.35 121.76 123.22 1j5h s ALA 63 Ca 0.45 -0.57 -0.08 0.00 0.00 0.00 0.00 51.96 51.76 1j5h s ALA 63 Cb -0.17 -3.00 0.19 0.00 0.00 0.00 0.00 23.12 20.13 1j5h s ALA 63 CO 0.22 -2.01 0.94 -1.54 0.00 0.00 0.00 175.76 173.36 1j5h s SER 64 N -4.26 -0.71 0.00 0.00 1.04 -1.24 -0.32 113.70 108.21 1j5h s SER 64 Ca 0.63 0.16 0.00 0.00 0.48 0.00 0.00 55.95 57.22 1j5h s SER 64 Cb -0.13 1.48 0.00 0.00 0.10 0.00 0.00 66.02 67.47 1j5h s SER 64 CO 0.51 -0.13 0.00 1.07 0.98 0.00 0.00 173.24 175.67 1j5h n THR 65 N 5.26 0.00 -3.01 2.02 5.66 0.99 -4.80 114.28 120.39 1j5h n THR 65 Ca 0.05 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.64 1j5h n THR 65 Cb 0.56 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.29 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 6.85 0.31 1.09 1.04 -1.26 0.11 113.70 121.84 1j5h s SER 66 Ca 0.00 1.04 0.09 0.00 0.48 0.00 0.00 55.95 57.55 1j5h s SER 66 Cb 0.00 -2.40 -0.04 0.00 0.10 0.00 0.00 66.02 63.67 1j5h s SER 66 CO 0.00 -0.30 0.08 -0.76 0.98 0.00 0.00 173.24 173.24 1j5h s LEU 67 N 1.83 3.24 -0.68 2.42 1.43 0.66 -4.90 118.68 122.68 1j5h s LEU 67 Ca 0.34 -0.71 -0.15 0.00 -1.03 0.00 0.00 54.13 52.58 1j5h s LEU 67 Cb -0.16 -1.73 0.17 0.00 0.03 0.00 0.00 46.19 44.50 1j5h s LEU 67 CO 0.12 -0.16 0.63 0.28 0.23 0.00 0.00 176.35 177.45 1j5h s THR 68 N -2.38 5.38 -0.56 5.49 -1.32 -1.26 -1.37 115.64 119.62 1j5h s THR 68 Ca 0.35 -2.01 -0.23 0.00 -1.21 0.00 0.00 61.69 58.59 1j5h s THR 68 Cb -0.04 -4.39 -0.21 0.00 -1.51 0.00 0.00 72.50 66.36 1j5h s THR 68 CO 0.21 -0.95 1.83 0.52 -2.21 0.00 0.00 174.62 174.03 1j5h n VAL 69 N 4.59 1.34 -2.17 5.08 0.31 -0.64 -4.74 118.33 122.10 1j5h n VAL 69 Ca 0.00 -1.14 -0.41 0.00 -0.01 0.00 0.00 64.34 62.79 1j5h n VAL 69 Cb 0.43 -2.21 -0.02 0.00 -0.91 0.00 0.00 33.84 31.13 1j5h n VAL 69 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1j5h s ARG 70 N 5.43 4.40 0.00 5.55 0.52 -1.26 -0.05 118.95 133.54 1j5h s ARG 70 Ca 0.58 2.14 0.00 0.00 -0.52 0.00 0.00 55.73 57.94 1j5h s ARG 70 Cb 0.14 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.51 1j5h s ARG 70 CO 0.17 -0.14 0.00 -2.13 0.02 0.00 0.00 175.30 173.22 1j5h n ARG 71 N 1.08 0.00 -1.59 3.54 0.63 -1.26 -4.62 116.66 114.44 1j5h n ARG 71 Ca 0.01 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.61 1j5h n ARG 71 Cb 0.42 -0.42 -0.04 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 -3.99 4.40 0.30 6.15 0.15 -1.26 -1.48 113.70 117.98 1j5h s SER 72 Ca 0.00 0.88 0.03 0.00 0.70 0.00 0.00 55.95 57.56 1j5h s SER 72 Cb 0.00 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.76 1j5h s SER 72 CO 0.00 -3.00 0.15 -0.36 1.20 0.00 0.00 173.24 171.24 1j5h s PHE 73 N 12.40 1.59 -0.53 3.44 0.08 -0.52 -4.84 117.98 129.59 1j5h s PHE 73 Ca 0.95 -1.35 0.06 0.00 0.12 0.00 0.00 56.93 56.71 1j5h s PHE 73 Cb -0.16 -0.86 0.23 0.00 -0.57 0.00 0.00 43.02 41.66 1j5h s PHE 73 CO 0.23 -0.50 0.59 -0.85 -0.10 0.00 0.00 175.22 174.59 1j5h n GLU 74 N -0.57 1.55 -2.16 0.44 0.28 -1.22 -0.30 120.64 118.67 1j5h n GLU 74 Ca 0.01 -3.98 -0.34 0.00 -0.16 0.00 0.00 57.16 52.69 1j5h n GLU 74 Cb 0.65 -1.82 0.01 0.00 1.43 0.00 0.00 31.44 31.70 1j5h n GLU 74 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1j5h s GLY 75 N -1.63 2.44 -0.16 -1.84 0.00 -1.26 -4.54 107.32 100.34 1j5h s GLY 75 Ca 0.36 0.68 -0.09 0.00 0.00 0.00 0.00 44.72 45.66 1j5h s GLY 75 CO -0.09 1.02 0.15 -0.11 0.00 0.00 0.00 173.10 174.08 1j5h s PHE 76 N -2.01 3.50 0.12 1.90 -0.12 0.15 -0.71 117.98 120.82 1j5h s PHE 76 Ca 0.70 0.46 -0.24 0.00 -0.05 0.00 0.00 56.93 57.79 1j5h s PHE 76 Cb -0.21 -2.08 -0.05 0.00 -0.63 0.00 0.00 43.02 40.04 1j5h s PHE 76 CO 0.30 0.49 1.30 1.28 -0.05 0.00 0.00 175.22 178.54 1j5h n LEU 77 N 2.81 -0.81 0.00 -1.99 4.77 0.74 -1.31 117.00 121.21 1j5h n LEU 77 Ca -0.17 1.48 0.00 0.00 -0.03 0.00 0.00 56.01 57.29 1j5h n LEU 77 Cb 0.53 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1j5h n LEU 77 CO 0.35 -1.17 0.00 0.33 -1.33 0.00 0.00 177.39 175.57 1j5h n PHE 78 N -4.81 0.00 0.00 -1.77 -0.00 -1.26 -3.00 117.46 106.62 1j5h n PHE 78 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 1j5h n PHE 78 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.68 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 0.00 0.00 0.01 -2.13 -0.08 -1.26 -5.04 116.55 108.05 1j5h n ASP 79 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1j5h n ASP 79 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1j5h n ASP 79 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1j5h n GLY 80 N 0.00 -0.55 3.80 0.27 0.00 -1.26 -5.16 105.19 102.29 1j5h n GLY 80 Ca 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 0.00 -0.11 2.61 2.01 -1.26 -5.07 115.64 111.82 1j5h s THR 81 Ca 0.00 -1.06 0.03 0.00 0.31 0.00 0.00 61.69 60.97 1j5h s THR 81 Cb 0.00 -2.02 -0.00 0.00 0.01 0.00 0.00 72.50 70.49 1j5h s THR 81 CO 0.00 -0.00 -0.21 0.00 -0.69 0.00 0.00 174.62 173.72 1j5h s ARG 82 N -3.93 3.13 0.00 4.92 1.70 -1.26 -0.18 118.95 123.32 1j5h s ARG 82 Ca 0.13 -0.83 0.00 0.00 -0.47 0.00 0.00 55.73 54.56 1j5h s ARG 82 Cb -0.05 -2.39 0.00 0.00 -0.57 0.00 0.00 34.95 31.94 1j5h s ARG 82 CO 0.07 0.18 0.00 0.91 -1.08 0.00 0.00 175.30 175.38 1j5h n TRP 83 N 3.56 0.00 0.00 5.89 7.02 0.12 -4.90 117.44 129.12 1j5h n TRP 83 Ca -0.19 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.29 1j5h n TRP 83 Cb 0.53 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 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 0.00 1.58 3.48 6.99 0.00 -1.26 -4.98 105.19 111.01 1j5h n GLY 84 Ca 0.00 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 1j5h n GLY 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j5h n THR 85 N -1.44 0.10 -3.98 2.61 -1.04 -1.19 -3.42 114.28 105.92 1j5h n THR 85 Ca 0.00 -0.08 -0.22 0.00 -2.04 0.00 0.00 64.05 61.70 1j5h n THR 85 Cb 0.00 -2.02 -0.05 0.00 -1.82 0.00 0.00 70.33 66.44 1j5h n THR 85 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1j5h s VAL 86 N 7.52 3.26 -0.45 12.58 0.11 0.59 -4.75 120.40 139.26 1j5h s VAL 86 Ca 0.69 -1.55 -0.28 0.00 -2.93 0.00 0.00 61.98 57.91 1j5h s VAL 86 Cb 0.14 -3.07 -0.01 0.00 -1.53 0.00 0.00 36.38 31.91 1j5h s VAL 86 CO 0.33 -0.18 1.69 1.51 -3.33 0.00 0.00 175.10 175.12 1j5h s ASP 87 N -3.91 5.85 0.35 3.54 1.47 -1.26 -1.44 116.67 121.27 1j5h s ASP 87 Ca 0.39 0.83 0.16 0.00 1.18 0.00 0.00 52.55 55.11 1j5h s ASP 87 Cb -0.04 -2.53 1.10 0.00 -0.34 0.00 0.00 42.92 41.10 1j5h s ASP 87 CO 0.24 -1.83 1.67 0.00 0.68 0.00 0.00 175.17 175.94 1j5h h THR 89 N 0.34 0.53 0.00 0.00 1.03 -1.88 2.37 112.91 115.30 1j5h h THR 89 Ca 0.72 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 67.09 1j5h h THR 89 Cb 1.68 0.53 -0.00 0.00 -1.07 0.00 0.00 68.15 69.29 1j5h h THR 89 CO -0.56 0.00 -0.16 0.74 -0.01 0.00 0.00 175.52 175.54 1j5h h THR 90 N 0.00 0.33 0.00 0.00 2.02 0.29 -3.02 112.91 112.52 1j5h h THR 90 Ca 0.44 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1j5h h THR 90 Cb 1.78 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 70.06 1j5h h THR 90 CO -0.00 0.15 -0.01 0.00 0.37 0.00 0.00 175.52 176.03 1j5h n ALA 91 N -2.16 2.10 -3.99 6.16 0.00 0.53 -5.00 120.51 118.15 1j5h n ALA 91 Ca 0.02 -1.72 -0.38 0.00 0.00 0.00 0.00 53.44 51.35 1j5h n ALA 91 Cb 0.48 -0.18 0.01 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.90 -2.40 -0.69 0.00 0.00 0.67 -4.56 120.51 112.62 1j5h n ALA 92 Ca 0.07 -0.48 -0.06 0.00 0.00 0.00 0.00 53.44 52.97 1j5h n ALA 92 Cb 0.44 -1.96 0.11 0.00 0.00 0.00 0.00 19.45 18.03 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 -3.18 0.59 -0.22 0.00 -2.07 0.50 -1.37 119.66 113.91 1j5h s GLN 94 Ca 0.24 0.07 0.01 0.00 -1.82 0.00 0.00 55.36 53.86 1j5h s GLN 94 Cb -0.04 0.27 0.05 0.00 -1.09 0.00 0.00 33.01 32.20 1j5h s GLN 94 CO 0.20 -0.14 -0.10 0.08 -1.32 0.00 0.00 175.29 174.01 1j5h s VAL 95 N -0.79 1.78 0.22 3.63 1.01 -0.88 -1.66 120.40 123.72 1j5h s VAL 95 Ca -0.09 -1.23 0.04 0.00 0.00 0.00 0.00 61.98 60.70 1j5h s VAL 95 Cb -0.04 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 1j5h s VAL 95 CO 0.03 0.07 0.14 0.61 0.00 0.00 0.00 175.10 175.95 1j5h n GLY 96 N 4.61 3.43 3.88 4.51 0.00 -0.69 -3.03 105.19 117.90 1j5h n GLY 96 Ca -0.14 -1.89 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 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 4.32 0.22 0.99 2.01 -1.26 -0.94 118.68 124.02 1j5h s LEU 97 Ca 0.20 0.35 0.06 0.00 0.01 0.00 0.00 54.13 54.75 1j5h s LEU 97 Cb 0.01 -2.46 -0.05 0.00 0.01 0.00 0.00 46.19 43.70 1j5h s LEU 97 CO 0.14 0.30 -0.08 -0.55 1.01 0.00 0.00 176.35 177.17 1j5h s SER 98 N -1.71 2.29 0.92 2.29 0.15 0.38 -4.72 113.70 113.29 1j5h s SER 98 Ca 0.24 -1.12 -0.15 0.00 0.70 0.00 0.00 55.95 55.63 1j5h s SER 98 Cb -0.12 -0.08 0.16 0.00 -1.71 0.00 0.00 66.02 64.27 1j5h s SER 98 CO 0.15 -0.33 1.28 -1.81 1.20 0.00 0.00 173.24 173.73 1j5h s ASP 99 N -3.32 3.53 0.34 5.45 1.11 -1.26 0.22 116.67 122.73 1j5h s ASP 99 Ca 0.25 0.42 0.21 0.00 0.18 0.00 0.00 52.55 53.61 1j5h s ASP 99 Cb 0.03 -0.59 1.15 0.00 1.07 0.00 0.00 42.92 44.57 1j5h s ASP 99 CO 0.07 -2.49 1.63 0.00 1.18 0.00 0.00 175.17 175.56 1j5h h ALA 100 N -1.47 1.03 0.00 5.23 0.00 -1.91 1.15 119.26 123.30 1j5h h ALA 100 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1j5h h ALA 100 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1j5h h ALA 100 CO 0.46 -0.03 -0.97 0.00 0.00 0.00 0.00 179.25 178.71 1j5h n ALA 101 N -1.75 4.49 -1.98 0.00 0.00 -1.26 -4.96 120.51 115.05 1j5h n ALA 101 Ca -0.01 -0.56 -0.11 0.00 0.00 0.00 0.00 53.44 52.76 1j5h n ALA 101 Cb 0.08 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 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 1.49 0.26 0.62 0.00 0.00 0.40 -5.01 105.19 102.93 1j5h n GLY 102 Ca 0.04 -0.45 -0.05 0.00 0.00 0.00 0.00 46.02 45.56 1j5h n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1j5h n ASN 103 N -0.02 -0.13 -3.01 1.61 3.02 -1.26 -4.75 115.26 110.71 1j5h n ASN 103 Ca -0.13 -1.02 -0.14 0.00 -0.03 0.00 0.00 54.58 53.27 1j5h n ASN 103 Cb 0.54 -0.16 0.02 0.00 -0.61 0.00 0.00 39.78 39.56 1j5h n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j5h n GLY 104 N 3.31 -1.33 3.64 7.41 0.00 -1.26 -4.21 105.19 112.75 1j5h n GLY 104 Ca 0.03 1.04 -0.43 0.00 0.00 0.00 0.00 46.02 46.66 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 -2.31 4.02 0.00 1.61 0.04 -1.26 -4.85 135.00 132.25 1j5h s PRO 105 Ca 0.23 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1j5h s PRO 105 Cb -0.05 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.64 1j5h s PRO 105 CO 0.75 -0.98 0.00 0.39 0.04 0.00 0.00 177.00 177.20 1j5h n GLU 106 N 7.09 -2.30 0.00 4.56 -0.58 -1.26 -5.10 120.64 123.04 1j5h n GLU 106 Ca 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 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 -0.23 -1.46 3.50 0.62 0.00 -1.26 -3.79 105.19 102.57 1j5h n GLY 107 Ca 0.00 0.56 -0.06 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.52 -0.54 1.61 0.11 -1.17 -3.82 120.40 116.08 1j5h s VAL 108 Ca 0.00 0.05 -0.26 0.00 -2.93 0.00 0.00 61.98 58.84 1j5h s VAL 108 Cb 0.00 -0.86 -0.06 0.00 -1.53 0.00 0.00 36.38 33.93 1j5h s VAL 108 CO 0.00 0.02 2.30 0.00 -3.33 0.00 0.00 175.10 174.09 1j5h s ALA 109 N 2.29 1.67 0.16 1.54 0.00 -1.26 -2.07 121.76 124.09 1j5h s ALA 109 Ca -0.07 -0.19 -0.18 0.00 0.00 0.00 0.00 51.96 51.53 1j5h s ALA 109 Cb -0.10 -4.36 -0.07 0.00 0.00 0.00 0.00 23.12 18.59 1j5h s ALA 109 CO -0.17 -4.46 0.62 0.42 0.00 0.00 0.00 175.76 172.17 1j5h s ILE 110 N 11.75 4.71 -0.55 0.00 -1.09 -0.47 -4.84 121.20 130.71 1j5h s ILE 110 Ca 0.91 1.10 0.04 0.00 -2.23 0.00 0.00 60.65 60.47 1j5h s ILE 110 Cb -0.16 -3.83 0.14 0.00 -1.58 0.00 0.00 42.46 37.04 1j5h s ILE 110 CO 0.23 0.30 0.31 -0.44 -1.23 0.00 0.00 174.94 174.11 1j5h s SER 111 N -1.55 4.36 0.00 3.58 0.01 0.13 -3.99 113.70 116.24 1j5h s SER 111 Ca 0.38 -3.17 0.09 0.00 1.31 0.00 0.00 55.95 54.56 1j5h s SER 111 Cb -0.17 -1.60 0.53 0.00 0.21 0.00 0.00 66.02 65.00 1j5h s SER 111 CO 0.20 -0.20 1.00 0.49 0.41 0.00 0.00 173.24 175.13 1j5h n PHE 112 N 2.89 0.00 0.00 2.43 3.01 -1.26 0.24 117.46 124.77 1j5h n PHE 112 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.54 1j5h n PHE 112 Cb 0.33 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 1j5h n PHE 112 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06