#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 -1.50 0.00 0.00 -2.01 -3.42 119.26 112.30 1j5h h ALA 2 Ca 0.00 -0.25 -0.53 0.00 0.00 0.00 0.00 54.91 54.13 1j5h h ALA 2 Cb 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1j5h h ALA 2 CO 0.00 -0.05 1.18 -1.25 0.00 0.00 0.00 179.25 179.12 1j5h s PRO 3 N -2.16 3.05 -0.29 0.00 0.04 -1.26 -4.73 135.00 129.66 1j5h s PRO 3 Ca -0.10 0.33 -0.28 0.00 0.04 0.00 0.00 61.00 60.99 1j5h s PRO 3 Cb -0.01 -4.23 0.19 0.00 0.04 0.00 0.00 34.50 30.49 1j5h s PRO 3 CO 0.38 -2.26 1.37 0.95 0.04 0.00 0.00 177.00 177.48 1j5h s THR 4 N 6.98 0.00 0.21 1.26 -4.23 0.48 -4.56 115.64 115.78 1j5h s THR 4 Ca 0.53 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.06 1j5h s THR 4 Cb -0.11 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.70 1j5h s THR 4 CO 0.21 0.00 0.37 0.00 -0.54 0.00 0.00 174.62 174.65 1j5h s ALA 5 N -0.77 3.89 0.08 3.99 0.00 -1.26 0.54 121.76 128.23 1j5h s ALA 5 Ca 0.08 -1.01 -0.15 0.00 0.00 0.00 0.00 51.96 50.88 1j5h s ALA 5 Cb -0.02 -1.87 0.03 0.00 0.00 0.00 0.00 23.12 21.26 1j5h s ALA 5 CO -0.10 0.36 0.35 0.95 0.00 0.00 0.00 175.76 177.33 1j5h s THR 6 N -1.91 0.08 -0.10 0.00 -4.23 0.09 -4.64 115.64 104.93 1j5h s THR 6 Ca 0.36 -0.65 -0.01 0.00 -1.18 0.00 0.00 61.69 60.21 1j5h s THR 6 Cb -0.10 -1.07 -0.03 0.00 1.34 0.00 0.00 72.50 72.64 1j5h s THR 6 CO 0.30 -0.36 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.27 1j5h s VAL 7 N -3.10 3.81 0.15 2.29 1.01 -1.26 -1.55 120.40 121.74 1j5h s VAL 7 Ca -0.01 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.31 1j5h s VAL 7 Cb 0.01 -2.60 -0.00 0.00 0.00 0.00 0.00 36.38 33.79 1j5h s VAL 7 CO -0.07 0.57 1.28 0.41 0.00 0.00 0.00 175.10 177.29 1j5h n THR 8 N 2.65 -0.54 -1.52 3.92 -1.04 -0.78 -4.44 114.28 112.53 1j5h n THR 8 Ca -0.18 2.00 -0.30 0.00 -2.04 0.00 0.00 64.05 63.53 1j5h n THR 8 Cb 0.53 -2.50 0.19 0.00 -1.82 0.00 0.00 70.33 66.73 1j5h n THR 8 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1j5h s PRO 9 N -5.49 0.14 0.00 -2.82 0.04 -1.26 -5.01 135.00 120.60 1j5h s PRO 9 Ca -0.10 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 60.85 1j5h s PRO 9 Cb 0.11 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.89 1j5h s PRO 9 CO 0.53 -2.80 0.36 0.45 0.04 0.00 0.00 177.00 175.58 1j5h n SER 10 N -4.11 0.00 0.00 6.66 2.88 -1.26 -4.98 113.62 112.81 1j5h n SER 10 Ca 0.12 -1.03 0.00 0.00 -1.33 0.00 0.00 58.87 56.63 1j5h n SER 10 Cb 0.59 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1j5h n SER 10 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1j5h n SER 11 N 0.00 0.00 -2.29 -3.46 3.41 -1.25 -1.88 113.62 108.15 1j5h n SER 11 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 1j5h n SER 11 Cb 0.51 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.49 1j5h n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j5h n GLY 12 N -0.62 -0.17 0.00 5.00 0.00 0.69 -4.81 105.19 105.28 1j5h n GLY 12 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.06 0.00 -3.96 0.99 4.77 -0.98 -4.85 117.00 109.92 1j5h n LEU 13 Ca -0.07 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.82 1j5h n LEU 13 Cb 0.58 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.62 1j5h n LEU 13 CO 0.36 0.00 0.13 -0.55 -1.33 0.00 0.00 177.39 176.00 1j5h s SER 14 N -1.00 -0.08 -0.69 -1.43 0.15 -1.26 -2.73 113.70 106.66 1j5h s SER 14 Ca 0.00 -0.87 -0.26 0.00 0.70 0.00 0.00 55.95 55.52 1j5h s SER 14 Cb 0.00 0.54 -0.08 0.00 -1.71 0.00 0.00 66.02 64.77 1j5h s SER 14 CO 0.00 -1.06 2.23 1.51 1.20 0.00 0.00 173.24 177.12 1j5h s ASP 15 N -2.99 4.52 0.00 5.45 3.84 -1.26 -1.02 116.67 125.20 1j5h s ASP 15 Ca 0.20 0.28 0.00 0.00 -0.00 0.00 0.00 52.55 53.03 1j5h s ASP 15 Cb 0.01 -2.53 0.00 0.00 -1.38 0.00 0.00 42.92 39.01 1j5h s ASP 15 CO 0.05 -3.11 0.00 0.61 -0.00 0.00 0.00 175.17 172.72 1j5h n GLY 16 N 6.38 1.26 3.58 2.12 0.00 -1.19 -4.68 105.19 112.66 1j5h n GLY 16 Ca 0.38 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.12 3.35 -0.74 2.61 2.01 -0.19 -4.42 115.64 116.14 1j5h s THR 17 Ca 0.00 -0.57 -0.26 0.00 0.31 0.00 0.00 61.69 61.17 1j5h s THR 17 Cb 0.00 -4.31 -0.01 0.00 0.01 0.00 0.00 72.50 68.18 1j5h s THR 17 CO 0.00 -0.64 1.76 -0.69 -0.69 0.00 0.00 174.62 174.36 1j5h s VAL 18 N 13.22 3.48 0.51 3.82 1.01 -1.25 -1.85 120.40 139.35 1j5h s VAL 18 Ca 0.74 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.74 1j5h s VAL 18 Cb -0.03 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1j5h s VAL 18 CO 0.14 -1.15 0.01 0.68 0.00 0.00 0.00 175.10 174.78 1j5h s VAL 19 N 8.48 1.10 0.35 2.92 -7.23 -0.78 -4.82 120.40 120.42 1j5h s VAL 19 Ca 0.61 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.50 1j5h s VAL 19 Cb -0.09 -2.12 -0.10 0.00 0.56 0.00 0.00 36.38 34.62 1j5h s VAL 19 CO 0.12 0.00 1.33 -0.75 -0.31 0.00 0.00 175.10 175.49 1j5h s LYS 20 N -3.88 4.28 -0.04 4.82 2.20 -1.26 -0.99 119.74 124.87 1j5h s LYS 20 Ca 0.05 2.25 -0.04 0.00 -0.36 0.00 0.00 55.97 57.87 1j5h s LYS 20 Cb 0.01 -3.02 0.01 0.00 -1.51 0.00 0.00 37.83 33.32 1j5h s LYS 20 CO 0.03 -0.27 0.11 0.08 -0.36 0.00 0.00 175.35 174.94 1j5h s VAL 21 N -1.15 0.01 0.04 4.02 1.01 0.35 -1.87 120.40 122.81 1j5h s VAL 21 Ca 0.50 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.30 1j5h s VAL 21 Cb -0.40 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 35.79 1j5h s VAL 21 CO 0.54 -0.05 0.17 0.00 0.00 0.00 0.00 175.10 175.76 1j5h s ALA 22 N -0.12 -0.30 0.00 5.51 0.00 -0.59 -0.28 121.76 125.97 1j5h s ALA 22 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1j5h s ALA 22 Cb -0.02 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.37 1j5h s ALA 22 CO 0.00 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1j5h n GLY 23 N 0.74 1.67 0.00 0.00 0.00 0.02 -0.73 105.19 106.90 1j5h n GLY 23 Ca -0.19 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.73 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 0.45 0.00 0.00 4.61 0.00 0.19 -1.59 120.51 124.17 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 -0.30 3.47 0.00 0.00 -1.26 0.18 105.19 107.29 1j5h n GLY 25 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.27 -4.20 0.00 0.99 7.94 -1.05 -4.73 117.00 114.67 1j5h n LEU 26 Ca 0.00 -0.86 0.00 0.00 -1.11 0.00 0.00 56.01 54.04 1j5h n LEU 26 Cb 0.05 -2.80 0.00 0.00 0.53 0.00 0.00 43.42 41.20 1j5h n LEU 26 CO 0.00 0.29 0.00 0.00 -1.11 0.00 0.00 177.39 176.57 1j5h n GLN 27 N -3.73 0.00 0.00 1.96 1.13 -0.13 -4.49 117.38 112.12 1j5h n GLN 27 Ca -0.09 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.97 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 -1.31 -1.58 0.00 -1.26 -3.44 120.51 109.92 1j5h n ALA 28 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 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 1.20 3.89 0.00 0.00 -1.23 -4.89 105.19 104.16 1j5h n GLY 29 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.01 3.64 0.31 2.61 2.01 -1.26 -4.46 115.64 116.48 1j5h s THR 30 Ca 0.00 0.40 -0.22 0.00 0.31 0.00 0.00 61.69 62.18 1j5h s THR 30 Cb 0.00 -3.51 -0.09 0.00 0.01 0.00 0.00 72.50 68.91 1j5h s THR 30 CO 0.00 -0.64 0.85 0.00 -0.69 0.00 0.00 174.62 174.15 1j5h s ALA 31 N -3.25 3.26 -0.42 7.40 0.00 -1.26 -0.97 121.76 126.50 1j5h s ALA 31 Ca 0.57 0.34 0.05 0.00 0.00 0.00 0.00 51.96 52.92 1j5h s ALA 31 Cb -0.11 -3.02 0.20 0.00 0.00 0.00 0.00 23.12 20.19 1j5h s ALA 31 CO 0.50 0.23 0.46 0.66 0.00 0.00 0.00 175.76 177.62 1j5h n TYR 32 N 0.33 -1.33 -1.64 0.00 4.01 0.11 -4.86 117.16 113.77 1j5h n TYR 32 Ca 0.02 -3.02 -0.60 0.00 -0.16 0.00 0.00 57.90 54.14 1j5h n TYR 32 Cb 0.51 0.36 -0.08 0.00 -0.31 0.00 0.00 39.34 39.82 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 2.45 1.90 -4.66 7.72 2.03 0.58 -1.86 116.55 124.71 1j5h n ASP 33 Ca 0.25 0.99 -0.35 0.00 0.52 0.00 0.00 54.79 56.20 1j5h n ASP 33 Cb 0.51 -1.06 0.10 0.00 -0.72 0.00 0.00 41.12 39.95 1j5h n ASP 33 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1j5h n VAL 34 N 4.96 2.89 -3.94 5.18 0.31 0.41 0.53 118.33 128.67 1j5h n VAL 34 Ca 0.32 -0.33 -0.09 0.00 -0.01 0.00 0.00 64.34 64.23 1j5h n VAL 34 Cb 0.08 -1.21 -0.10 0.00 -0.91 0.00 0.00 33.84 31.70 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 -1.78 0.19 -0.12 2.92 0.00 -0.25 -4.23 107.32 104.04 1j5h s GLY 35 Ca 0.75 -0.54 -0.04 0.00 0.00 0.00 0.00 44.72 44.89 1j5h s GLY 35 CO 0.49 -0.66 0.24 1.20 0.00 0.00 0.00 173.10 174.37 1j5h s GLN 36 N -2.30 0.13 0.48 2.90 -0.21 -1.26 -1.50 119.66 117.89 1j5h s GLN 36 Ca -0.08 0.70 0.02 0.00 0.02 0.00 0.00 55.36 56.03 1j5h s GLN 36 Cb -0.03 -0.11 -0.02 0.00 1.00 0.00 0.00 33.01 33.86 1j5h s GLN 36 CO -0.03 -0.30 0.04 0.00 -2.12 0.00 0.00 175.29 172.88 1j5h s ALA 38 N -2.98 1.69 -0.42 0.00 0.00 0.12 -0.43 121.76 119.75 1j5h s ALA 38 Ca 0.12 -1.27 -0.24 0.00 0.00 0.00 0.00 51.96 50.57 1j5h s ALA 38 Cb 0.02 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.75 1j5h s ALA 38 CO 0.07 -1.27 0.81 -0.46 0.00 0.00 0.00 175.76 174.91 1j5h s TRP 39 N 1.53 3.03 0.00 0.00 -0.00 -1.24 -1.19 118.94 121.06 1j5h s TRP 39 Ca -0.02 0.36 0.00 0.00 -0.00 0.00 0.00 56.10 56.44 1j5h s TRP 39 Cb -0.18 -3.61 0.00 0.00 -0.00 0.00 0.00 33.47 29.68 1j5h s TRP 39 CO -0.09 -0.91 0.00 0.28 -0.00 0.00 0.00 176.95 176.23 1j5h n VAL 40 N 6.05 0.00 -0.83 5.86 0.31 -0.23 -4.50 118.33 124.99 1j5h n VAL 40 Ca 0.03 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.21 1j5h n VAL 40 Cb 0.48 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.45 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 6.26 0.00 4.52 -0.08 -1.25 -4.88 116.55 121.12 1j5h n ASP 41 Ca 0.00 -3.02 0.00 0.00 -1.51 0.00 0.00 54.79 50.26 1j5h n ASP 41 Cb 0.00 -1.04 0.00 0.00 2.34 0.00 0.00 41.12 42.42 1j5h n ASP 41 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1j5h n THR 42 N 0.35 0.00 0.24 5.18 -1.04 -1.26 -3.82 114.28 113.94 1j5h n THR 42 Ca 0.29 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.40 1j5h n THR 42 Cb 0.60 0.00 0.50 0.00 -1.82 0.00 0.00 70.33 69.61 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 -0.98 3.05 3.41 0.00 -1.26 -3.90 105.19 105.51 1j5h n GLY 43 Ca 0.00 0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.41 3.09 -0.27 1.61 1.01 -1.25 -5.04 120.40 116.14 1j5h s VAL 44 Ca 0.00 -2.80 0.03 0.00 0.00 0.00 0.00 61.98 59.22 1j5h s VAL 44 Cb 0.07 -3.10 0.07 0.00 0.00 0.00 0.00 36.38 33.42 1j5h s VAL 44 CO 0.25 -0.78 -0.07 -0.22 0.00 0.00 0.00 175.10 174.29 1j5h s LEU 45 N 0.25 3.59 -0.56 3.92 0.20 -1.25 -1.07 118.68 123.76 1j5h s LEU 45 Ca 0.14 -1.53 -0.19 0.00 0.69 0.00 0.00 54.13 53.24 1j5h s LEU 45 Cb -0.22 -1.50 0.09 0.00 -0.43 0.00 0.00 46.19 44.12 1j5h s LEU 45 CO -0.03 -0.24 0.67 0.00 -0.29 0.00 0.00 176.35 176.46 1j5h s ALA 46 N 1.11 3.41 0.64 5.97 0.00 -0.33 -3.97 121.76 128.58 1j5h s ALA 46 Ca -0.04 -2.06 -0.13 0.00 0.00 0.00 0.00 51.96 49.73 1j5h s ALA 46 Cb -0.20 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 1j5h s ALA 46 CO -0.06 -2.22 1.05 0.00 0.00 0.00 0.00 175.76 174.53 1j5h s ASN 48 N -3.30 5.04 0.00 0.00 3.04 0.31 -1.28 114.94 118.76 1j5h s ASN 48 Ca 0.61 -2.83 -0.01 0.00 0.04 0.00 0.00 52.86 50.67 1j5h s ASN 48 Cb -0.15 -1.80 -0.03 0.00 -1.54 0.00 0.00 41.25 37.73 1j5h s ASN 48 CO 0.46 -0.35 1.67 -0.81 -3.04 0.00 0.00 177.10 175.02 1j5h n PRO 49 N 3.48 0.84 0.00 0.43 -0.04 -1.26 -2.30 135.00 136.14 1j5h n PRO 49 Ca 0.07 -0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1j5h n PRO 49 Cb 0.37 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 1.75 0.85 -0.19 0.55 0.00 -1.26 -4.85 120.51 117.36 1j5h n ALA 50 Ca 0.04 -0.28 -0.08 0.00 0.00 0.00 0.00 53.44 53.12 1j5h n ALA 50 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.41 0.00 0.00 2.03 -1.74 -3.43 116.42 111.88 1j5h h ASP 51 Ca 0.00 0.23 0.00 0.00 -0.73 0.00 0.00 57.03 56.53 1j5h h ASP 51 Cb 0.51 0.64 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 1j5h h ASP 51 CO 0.00 -0.34 0.00 0.33 -1.03 0.00 0.00 179.24 178.20 1j5h n PHE 52 N -5.41 0.00 -0.74 4.15 7.35 -1.26 -4.88 117.46 116.66 1j5h n PHE 52 Ca 0.02 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.47 1j5h n PHE 52 Cb 0.35 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.19 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 1.41 -2.15 -3.77 -2.13 7.64 -1.26 -4.49 113.62 108.87 1j5h n SER 53 Ca 0.00 0.40 -0.14 0.00 1.01 0.00 0.00 58.87 60.14 1j5h n SER 53 Cb 0.00 -0.51 -0.15 0.00 -1.01 0.00 0.00 64.21 62.54 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 -0.59 -0.02 0.05 6.43 1.04 -1.26 0.16 113.70 119.50 1j5h s SER 54 Ca 0.34 0.16 0.07 0.00 0.48 0.00 0.00 55.95 57.00 1j5h s SER 54 Cb -0.30 0.07 -0.03 0.00 0.10 0.00 0.00 66.02 65.85 1j5h s SER 54 CO 0.39 -0.12 -0.17 0.54 0.98 0.00 0.00 173.24 174.86 1j5h s VAL 55 N 0.94 2.87 0.02 5.02 0.11 -0.78 -4.81 120.40 123.77 1j5h s VAL 55 Ca -0.08 -1.21 0.01 0.00 -2.93 0.00 0.00 61.98 57.77 1j5h s VAL 55 Cb -0.10 -2.23 -0.04 0.00 -1.53 0.00 0.00 36.38 32.48 1j5h s VAL 55 CO -0.04 0.30 0.07 -0.89 -3.33 0.00 0.00 175.10 171.22 1j5h s THR 56 N -0.97 4.63 0.75 5.04 2.01 -1.26 0.10 115.64 125.93 1j5h s THR 56 Ca 0.15 -0.52 -0.12 0.00 0.31 0.00 0.00 61.69 61.52 1j5h s THR 56 Cb -0.11 -3.14 0.04 0.00 0.01 0.00 0.00 72.50 69.30 1j5h s THR 56 CO 0.06 0.30 1.12 0.00 -0.69 0.00 0.00 174.62 175.41 1j5h s ALA 57 N -1.23 2.77 -0.13 7.40 0.00 -0.15 -1.69 121.76 128.72 1j5h s ALA 57 Ca 0.24 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1j5h s ALA 57 Cb -0.12 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 20.01 1j5h s ALA 57 CO 0.16 -1.35 -0.12 0.16 0.00 0.00 0.00 175.76 174.61 1j5h s ASP 58 N -4.39 2.46 0.00 0.00 1.47 0.19 -3.49 116.67 112.91 1j5h s ASP 58 Ca 0.60 -0.41 0.00 0.00 1.18 0.00 0.00 52.55 53.92 1j5h s ASP 58 Cb -0.11 -1.04 0.00 0.00 -0.34 0.00 0.00 42.92 41.43 1j5h s ASP 58 CO 0.51 -0.08 0.00 0.00 0.68 0.00 0.00 175.17 176.28 1j5h n ALA 59 N 4.81 0.00 -0.29 2.11 0.00 -1.26 0.14 120.51 126.02 1j5h n ALA 59 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.41 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 0.54 -0.09 0.00 0.00 2.85 -1.26 -4.04 115.26 113.26 1j5h n ASN 60 Ca 0.00 1.41 0.00 0.00 -0.11 0.00 0.00 54.58 55.88 1j5h n ASN 60 Cb 0.00 -0.52 0.00 0.00 1.24 0.00 0.00 39.78 40.50 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 -1.41 0.23 3.72 8.20 0.00 0.38 -4.15 105.19 112.15 1j5h n GLY 61 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.16 7.40 0.82 1.61 0.15 -1.20 -0.96 113.70 121.37 1j5h s SER 62 Ca 0.00 1.80 -0.11 0.00 0.70 0.00 0.00 55.95 58.34 1j5h s SER 62 Cb 0.00 -2.58 0.09 0.00 -1.71 0.00 0.00 66.02 61.82 1j5h s SER 62 CO 0.00 -0.17 1.13 0.00 1.20 0.00 0.00 173.24 175.39 1j5h s ALA 63 N 0.38 1.92 -0.30 5.45 0.00 -0.62 0.54 121.76 129.14 1j5h s ALA 63 Ca 0.50 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.93 1j5h s ALA 63 Cb -0.24 -3.37 0.19 0.00 0.00 0.00 0.00 23.12 19.71 1j5h s ALA 63 CO 0.30 -2.18 0.67 -1.54 0.00 0.00 0.00 175.76 173.01 1j5h s SER 64 N -2.92 -1.31 0.00 0.00 1.04 -0.68 -0.80 113.70 109.02 1j5h s SER 64 Ca 0.65 0.55 0.00 0.00 0.48 0.00 0.00 55.95 57.63 1j5h s SER 64 Cb -0.21 1.99 0.00 0.00 0.10 0.00 0.00 66.02 67.90 1j5h s SER 64 CO 0.55 -0.24 0.00 1.07 0.98 0.00 0.00 173.24 175.60 1j5h n THR 65 N 5.41 0.00 -3.37 2.02 5.66 0.61 -4.57 114.28 120.04 1j5h n THR 65 Ca 0.01 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.63 1j5h n THR 65 Cb 0.53 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.23 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 -0.83 6.45 -0.03 1.09 0.01 -1.26 0.13 113.70 119.26 1j5h s SER 66 Ca 0.00 0.53 0.04 0.00 1.31 0.00 0.00 55.95 57.83 1j5h s SER 66 Cb 0.00 -2.24 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 1j5h s SER 66 CO 0.00 -0.10 -0.15 -0.76 0.41 0.00 0.00 173.24 172.64 1j5h s LEU 67 N 1.40 2.71 -0.47 2.44 1.02 -0.16 -4.86 118.68 120.77 1j5h s LEU 67 Ca 0.20 -0.24 -0.27 0.00 0.02 0.00 0.00 54.13 53.83 1j5h s LEU 67 Cb -0.15 -1.56 0.03 0.00 0.02 0.00 0.00 46.19 44.53 1j5h s LEU 67 CO 0.08 0.33 1.04 0.28 0.02 0.00 0.00 176.35 178.10 1j5h s THR 68 N -0.78 4.33 -1.45 5.49 -1.32 -1.26 -1.87 115.64 118.79 1j5h s THR 68 Ca 0.12 1.03 -0.09 0.00 -1.21 0.00 0.00 61.69 61.54 1j5h s THR 68 Cb -0.11 -4.53 0.04 0.00 -1.51 0.00 0.00 72.50 66.40 1j5h s THR 68 CO 0.02 -0.92 2.47 0.52 -2.21 0.00 0.00 174.62 174.50 1j5h n VAL 69 N 6.63 4.43 -0.97 5.08 0.31 -0.77 -4.74 118.33 128.30 1j5h n VAL 69 Ca 0.09 -3.49 -0.32 0.00 -0.01 0.00 0.00 64.34 60.62 1j5h n VAL 69 Cb 0.49 -2.41 0.02 0.00 -0.91 0.00 0.00 33.84 31.02 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 3.57 0.00 -0.01 5.55 1.74 -1.26 -3.09 116.66 123.16 1j5h n ARG 70 Ca 0.62 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.68 1j5h n ARG 70 Cb 0.29 -0.86 -0.01 0.00 -1.02 0.00 0.00 32.46 30.86 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 1.72 0.15 -4.71 5.56 0.00 -1.25 -4.48 116.66 113.64 1j5h n ARG 71 Ca 0.03 0.06 -0.30 0.00 -0.00 0.00 0.00 57.85 57.63 1j5h n ARG 71 Cb 0.44 -0.66 -0.13 0.00 0.00 0.00 0.00 32.46 32.11 1j5h n ARG 71 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1j5h s SER 72 N -5.41 3.55 0.00 6.15 1.04 -1.26 -1.28 113.70 116.49 1j5h s SER 72 Ca -0.08 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1j5h s SER 72 Cb 0.01 -0.47 0.00 0.00 0.10 0.00 0.00 66.02 65.67 1j5h s SER 72 CO 0.12 0.25 0.00 2.22 0.98 0.00 0.00 173.24 176.81 1j5h n PHE 73 N 1.55 -0.03 -3.89 5.02 -1.74 -0.37 -4.91 117.46 113.09 1j5h n PHE 73 Ca -0.17 0.00 -0.35 0.00 -0.56 0.00 0.00 57.45 56.37 1j5h n PHE 73 Cb 0.52 0.00 -0.14 0.00 1.52 0.00 0.00 39.48 41.38 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 -0.62 3.16 0.45 3.97 -1.05 -1.24 -0.26 118.70 123.10 1j5h s GLU 74 Ca 0.00 -0.78 0.06 0.00 -0.15 0.00 0.00 54.97 54.10 1j5h s GLU 74 Cb 0.00 -3.09 -0.03 0.00 -0.44 0.00 0.00 34.13 30.57 1j5h s GLU 74 CO 0.00 -0.31 0.20 0.20 0.95 0.00 0.00 175.26 176.30 1j5h s GLY 75 N 1.44 2.44 -0.13 -3.83 0.00 -1.25 -4.81 107.32 101.18 1j5h s GLY 75 Ca 0.03 -1.70 -0.12 0.00 0.00 0.00 0.00 44.72 42.93 1j5h s GLY 75 CO -0.02 -1.96 0.35 -0.12 0.00 0.00 0.00 173.10 171.35 1j5h s PHE 76 N -2.67 -0.38 0.00 1.90 2.19 -0.40 -0.31 117.98 118.31 1j5h s PHE 76 Ca 0.35 0.93 0.00 0.00 0.33 0.00 0.00 56.93 58.53 1j5h s PHE 76 Cb 0.02 0.13 0.00 0.00 -1.31 0.00 0.00 43.02 41.86 1j5h s PHE 76 CO 0.20 -0.19 0.98 1.28 1.83 0.00 0.00 175.22 179.32 1j5h n LEU 77 N 2.84 0.00 0.00 6.12 7.99 0.00 0.85 117.00 134.80 1j5h n LEU 77 Ca -0.13 0.98 0.00 0.00 -0.01 0.00 0.00 56.01 56.85 1j5h n LEU 77 Cb 0.57 -0.48 0.00 0.00 -0.11 0.00 0.00 43.42 43.40 1j5h n LEU 77 CO 0.15 -0.48 0.00 0.33 -1.51 0.00 0.00 177.39 175.88 1j5h n PHE 78 N -2.45 0.00 0.00 -1.77 7.35 -1.26 -3.93 117.46 115.40 1j5h n PHE 78 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1j5h n PHE 78 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 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 0.00 0.00 0.13 -2.13 2.03 -1.26 -5.05 116.55 110.27 1j5h n ASP 79 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1j5h n ASP 79 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.00 -1.81 3.45 0.27 0.00 -1.26 -5.16 105.19 100.68 1j5h n GLY 80 Ca 0.00 0.43 -0.22 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.62 1.66 -0.03 2.61 2.01 -1.26 -5.05 115.64 113.96 1j5h s THR 81 Ca 0.00 -2.11 0.03 0.00 0.31 0.00 0.00 61.69 59.91 1j5h s THR 81 Cb 0.00 -2.53 0.00 0.00 0.01 0.00 0.00 72.50 69.99 1j5h s THR 81 CO 0.00 -0.25 -0.09 -0.60 -0.69 0.00 0.00 174.62 172.99 1j5h s ARG 82 N -3.74 1.00 0.00 4.92 3.52 -1.26 -0.82 118.95 122.58 1j5h s ARG 82 Ca 0.31 -0.32 0.00 0.00 -0.13 0.00 0.00 55.73 55.58 1j5h s ARG 82 Cb 0.04 -0.93 0.00 0.00 -1.56 0.00 0.00 34.95 32.50 1j5h s ARG 82 CO 0.13 0.12 0.39 1.87 -0.81 0.00 0.00 175.30 177.00 1j5h n TRP 83 N 3.27 0.00 0.00 5.12 -0.00 0.58 -4.93 117.44 121.49 1j5h n TRP 83 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.32 1j5h n TRP 83 Cb 0.54 -0.05 0.00 0.00 -0.00 0.00 0.00 31.31 31.80 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 0.33 3.35 3.19 5.87 0.00 -1.12 -4.88 105.19 111.93 1j5h n GLY 84 Ca 0.00 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.21 1.00 -4.52 2.61 -1.04 -1.21 -3.67 114.28 106.25 1j5h n THR 85 Ca 0.00 -0.81 -0.24 0.00 -2.04 0.00 0.00 64.05 60.96 1j5h n THR 85 Cb 0.00 -2.10 -0.10 0.00 -1.82 0.00 0.00 70.33 66.31 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 5.60 1.21 0.28 12.58 0.11 0.64 -4.78 120.40 136.05 1j5h s VAL 86 Ca 0.54 -2.00 -0.29 0.00 -2.93 0.00 0.00 61.98 57.30 1j5h s VAL 86 Cb 0.13 -2.69 -0.10 0.00 -1.53 0.00 0.00 36.38 32.19 1j5h s VAL 86 CO 0.18 0.00 1.40 -1.81 -3.33 0.00 0.00 175.10 171.54 1j5h s ASP 87 N -3.58 6.67 0.03 3.54 1.11 -1.26 -1.24 116.67 121.93 1j5h s ASP 87 Ca 0.31 2.69 0.20 0.00 0.18 0.00 0.00 52.55 55.94 1j5h s ASP 87 Cb 0.07 -2.63 -0.19 0.00 1.07 0.00 0.00 42.92 41.24 1j5h s ASP 87 CO 0.15 -0.66 0.65 0.00 1.18 0.00 0.00 175.17 176.49 1j5h h THR 89 N 0.00 0.23 0.00 0.00 1.03 -1.79 1.43 112.91 113.81 1j5h h THR 89 Ca -0.12 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.23 1j5h h THR 89 Cb 1.32 0.62 -0.01 0.00 -1.07 0.00 0.00 68.15 69.01 1j5h h THR 89 CO 0.02 0.00 -0.25 0.74 -0.01 0.00 0.00 175.52 176.02 1j5h h THR 90 N 0.00 0.46 -0.15 0.00 2.02 -1.90 -3.09 112.91 110.25 1j5h h THR 90 Ca 0.14 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.82 1j5h h THR 90 Cb 1.03 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 1j5h h THR 90 CO -0.00 0.24 0.00 0.00 0.37 0.00 0.00 175.52 176.13 1j5h n ALA 91 N -2.17 2.56 -3.56 6.16 0.00 0.46 -5.00 120.51 118.95 1j5h n ALA 91 Ca 0.02 -2.20 -0.21 0.00 0.00 0.00 0.00 53.44 51.06 1j5h n ALA 91 Cb 0.58 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.75 -2.39 -0.46 0.00 0.00 0.72 -3.67 120.51 113.95 1j5h n ALA 92 Ca 0.17 -0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 1j5h n ALA 92 Cb 0.70 -0.66 0.17 0.00 0.00 0.00 0.00 19.45 19.66 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 -3.74 0.66 -0.09 0.00 0.00 0.43 -1.47 119.66 115.45 1j5h s GLN 94 Ca 0.38 -0.29 -0.00 0.00 -0.00 0.00 0.00 55.36 55.44 1j5h s GLN 94 Cb -0.07 0.29 0.02 0.00 0.00 0.00 0.00 33.01 33.26 1j5h s GLN 94 CO 0.32 -0.18 -0.05 0.54 0.00 0.00 0.00 175.29 175.91 1j5h s VAL 95 N -1.58 0.79 0.15 3.63 0.11 -0.82 -1.25 120.40 121.43 1j5h s VAL 95 Ca -0.12 -0.16 0.03 0.00 -2.93 0.00 0.00 61.98 58.80 1j5h s VAL 95 Cb -0.05 -0.84 -0.01 0.00 -1.53 0.00 0.00 36.38 33.95 1j5h s VAL 95 CO 0.02 0.32 0.11 0.61 -3.33 0.00 0.00 175.10 172.84 1j5h n GLY 96 N 4.83 3.57 3.81 6.54 0.00 -0.56 -4.43 105.19 118.95 1j5h n GLY 96 Ca -0.13 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.74 1j5h n GLY 96 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1j5h s LEU 97 N 0.00 4.28 -0.01 0.99 -0.00 -1.26 -1.09 118.68 121.59 1j5h s LEU 97 Ca 0.16 1.57 0.01 0.00 -0.00 0.00 0.00 54.13 55.87 1j5h s LEU 97 Cb 0.01 -3.85 0.01 0.00 -0.00 0.00 0.00 46.19 42.35 1j5h s LEU 97 CO 0.11 -0.06 -0.03 -0.55 -0.00 0.00 0.00 176.35 175.83 1j5h s SER 98 N -1.74 0.44 0.56 1.48 0.15 0.19 -4.73 113.70 110.04 1j5h s SER 98 Ca 0.48 -0.06 0.07 0.00 0.70 0.00 0.00 55.95 57.14 1j5h s SER 98 Cb -0.16 -0.11 0.07 0.00 -1.71 0.00 0.00 66.02 64.12 1j5h s SER 98 CO 0.21 0.01 0.77 1.51 1.20 0.00 0.00 173.24 176.94 1j5h s ASP 99 N 0.22 5.12 0.00 5.45 1.47 -1.26 0.21 116.67 127.88 1j5h s ASP 99 Ca -0.02 -0.63 0.03 0.00 1.18 0.00 0.00 52.55 53.11 1j5h s ASP 99 Cb -0.05 -0.03 0.17 0.00 -0.34 0.00 0.00 42.92 42.67 1j5h s ASP 99 CO -0.00 -1.28 1.09 0.00 0.68 0.00 0.00 175.17 175.65 1j5h n ALA 100 N -2.26 2.49 0.27 2.11 0.00 -1.26 -2.21 120.51 119.65 1j5h n ALA 100 Ca 0.13 -0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.59 1j5h n ALA 100 Cb 0.61 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.55 2.80 -2.99 0.00 0.00 -1.26 -5.01 120.51 113.50 1j5h n ALA 101 Ca 0.02 -0.20 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 1j5h n ALA 101 Cb 0.01 -0.26 0.05 0.00 0.00 0.00 0.00 19.45 19.25 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 1.37 0.04 2.78 0.00 0.00 -0.94 -4.99 105.19 103.46 1j5h n GLY 102 Ca 0.01 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.60 -2.82 -4.06 1.61 6.94 -1.26 -4.85 115.26 109.22 1j5h n ASN 103 Ca -0.07 -0.35 -0.37 0.00 -0.02 0.00 0.00 54.58 53.77 1j5h n ASN 103 Cb 0.56 -0.67 0.06 0.00 -2.36 0.00 0.00 39.78 37.37 1j5h n ASN 103 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1j5h n GLY 104 N -0.66 -3.16 3.79 4.83 0.00 -1.26 -4.93 105.19 103.80 1j5h n GLY 104 Ca 0.05 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.30 1.27 0.00 1.61 0.04 -1.26 -5.01 135.00 129.36 1j5h s PRO 105 Ca 0.41 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1j5h s PRO 105 Cb 0.01 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1j5h s PRO 105 CO 0.69 -2.12 0.00 0.39 0.04 0.00 0.00 177.00 176.00 1j5h n GLU 106 N -3.72 1.69 -0.66 4.56 -0.58 -1.26 -5.06 120.64 115.61 1j5h n GLU 106 Ca 0.07 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.78 1j5h n GLU 106 Cb 0.59 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.43 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 5.00 -0.08 3.16 0.62 0.00 -1.26 -5.05 105.19 107.57 1j5h n GLY 107 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 3.99 -2.29 1.61 0.31 -1.26 -5.01 118.33 115.68 1j5h n VAL 108 Ca -0.10 -5.36 -0.41 0.00 -0.01 0.00 0.00 64.34 58.46 1j5h n VAL 108 Cb 0.41 -2.41 -0.03 0.00 -0.91 0.00 0.00 33.84 30.90 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 -1.62 2.71 -0.05 3.52 0.00 -1.26 -1.95 121.76 123.11 1j5h s ALA 109 Ca 0.30 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.70 1j5h s ALA 109 Cb -0.05 -4.13 -0.03 0.00 0.00 0.00 0.00 23.12 18.91 1j5h s ALA 109 CO -0.07 -3.06 -0.04 0.42 0.00 0.00 0.00 175.76 173.01 1j5h s ILE 110 N 6.64 3.90 -0.50 0.00 1.01 -0.54 -4.85 121.20 126.86 1j5h s ILE 110 Ca 0.58 -0.49 -0.25 0.00 0.00 0.00 0.00 60.65 60.49 1j5h s ILE 110 Cb -0.12 -2.64 0.03 0.00 0.01 0.00 0.00 42.46 39.74 1j5h s ILE 110 CO 0.25 0.54 0.94 -0.55 0.00 0.00 0.00 174.94 176.12 1j5h s SER 111 N -1.03 6.43 0.23 3.58 0.15 -0.79 -3.87 113.70 118.41 1j5h s SER 111 Ca 0.14 -0.07 -0.19 0.00 0.70 0.00 0.00 55.95 56.53 1j5h s SER 111 Cb -0.11 -2.45 -0.08 0.00 -1.71 0.00 0.00 66.02 61.67 1j5h s SER 111 CO 0.04 -1.14 0.72 -0.36 1.20 0.00 0.00 173.24 173.70 1j5h s PHE 112 N 3.89 3.62 0.00 3.44 0.08 -1.26 -0.22 117.98 127.52 1j5h s PHE 112 Ca 0.35 1.36 0.00 0.00 0.12 0.00 0.00 56.93 58.75 1j5h s PHE 112 Cb -0.11 -2.60 0.00 0.00 -0.57 0.00 0.00 43.02 39.74 1j5h s PHE 112 CO 0.23 0.32 0.00 -1.71 -0.10 0.00 0.00 175.22 173.96