#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 -1.87 -1.00 0.00 0.00 -1.26 -5.07 120.51 111.31 1j5h n ALA 2 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.31 1j5h n ALA 2 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 -3.46 0.00 0.00 0.00 -0.04 -1.26 -5.00 135.00 125.23 1j5h n PRO 3 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1j5h n PRO 3 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 1j5h n PRO 3 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1j5h n THR 4 N 0.00 0.00 -3.41 0.52 -2.24 0.15 -4.84 114.28 104.46 1j5h n THR 4 Ca 0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 1j5h n THR 4 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1j5h n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j5h s ALA 5 N -2.00 4.22 0.06 6.98 0.00 -1.26 0.55 121.76 130.32 1j5h s ALA 5 Ca 0.00 -1.82 -0.16 0.00 0.00 0.00 0.00 51.96 49.98 1j5h s ALA 5 Cb 0.00 -1.18 0.03 0.00 0.00 0.00 0.00 23.12 21.97 1j5h s ALA 5 CO 0.00 -0.27 0.37 0.95 0.00 0.00 0.00 175.76 176.81 1j5h s THR 6 N -2.46 0.07 -0.11 0.00 -4.23 -0.39 -4.42 115.64 104.10 1j5h s THR 6 Ca 0.50 -0.58 -0.02 0.00 -1.18 0.00 0.00 61.69 60.41 1j5h s THR 6 Cb -0.05 -1.01 -0.03 0.00 1.34 0.00 0.00 72.50 72.75 1j5h s THR 6 CO 0.29 -0.32 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.35 1j5h s VAL 7 N -2.82 4.15 0.14 2.29 1.01 -1.26 -1.66 120.40 122.25 1j5h s VAL 7 Ca -0.03 -0.29 -0.24 0.00 0.00 0.00 0.00 61.98 61.42 1j5h s VAL 7 Cb -0.00 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1j5h s VAL 7 CO -0.05 0.56 1.24 0.41 0.00 0.00 0.00 175.10 177.26 1j5h n THR 8 N 2.63 -0.53 -0.10 3.92 -1.04 -0.63 -4.44 114.28 114.10 1j5h n THR 8 Ca -0.18 1.94 0.00 0.00 -2.04 0.00 0.00 64.05 63.77 1j5h n THR 8 Cb 0.53 -2.41 0.00 0.00 -1.82 0.00 0.00 70.33 66.63 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 -5.03 0.81 -0.53 -2.82 -0.04 -1.26 -5.04 135.00 121.09 1j5h n PRO 9 Ca 0.02 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1j5h n PRO 9 Cb 0.22 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.68 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 -0.38 -0.01 -2.68 3.54 2.88 -1.26 -4.95 113.62 110.75 1j5h n SER 10 Ca 0.00 -1.42 -0.05 0.00 -1.33 0.00 0.00 58.87 56.07 1j5h n SER 10 Cb 0.00 -0.07 0.11 0.00 -0.75 0.00 0.00 64.21 63.50 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 0.01 -1.56 -0.38 -3.46 3.41 -1.26 -1.75 113.62 108.64 1j5h n SER 11 Ca -0.01 -2.41 0.37 0.00 -0.26 0.00 0.00 58.87 56.56 1j5h n SER 11 Cb 0.59 1.38 0.59 0.00 -0.26 0.00 0.00 64.21 66.51 1j5h n SER 11 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1j5h h GLY 12 N 2.42 0.00 0.00 5.00 0.00 -1.88 -3.42 103.07 105.19 1j5h h GLY 12 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1j5h h GLY 12 CO 0.04 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.62 1j5h n LEU 13 N -3.52 0.00 -4.61 3.11 4.77 -0.68 -4.60 117.00 111.47 1j5h n LEU 13 Ca 0.30 0.00 -0.65 0.00 -0.03 0.00 0.00 56.01 55.63 1j5h n LEU 13 Cb 1.68 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 42.66 1j5h n LEU 13 CO 0.31 0.00 1.32 -0.24 -1.33 0.00 0.00 177.39 177.46 1j5h n SER 14 N 0.96 1.18 -4.49 -1.43 2.88 -1.26 -1.09 113.62 110.37 1j5h n SER 14 Ca 0.00 1.04 -0.47 0.00 -1.33 0.00 0.00 58.87 58.10 1j5h n SER 14 Cb 0.00 -0.91 -0.06 0.00 -0.75 0.00 0.00 64.21 62.49 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 5.10 2.31 -0.11 -3.46 4.64 -1.26 0.04 116.55 123.80 1j5h n ASP 15 Ca 0.37 0.28 0.00 0.00 -1.38 0.00 0.00 54.79 54.06 1j5h n ASP 15 Cb -0.04 -1.34 0.00 0.00 -1.04 0.00 0.00 41.12 38.70 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 6.34 1.11 3.57 0.27 0.00 -0.98 -4.64 105.19 110.87 1j5h n GLY 16 Ca 0.40 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.22 3.22 -0.95 2.61 2.01 0.11 -4.31 115.64 116.10 1j5h s THR 17 Ca 0.00 -0.28 -0.24 0.00 0.31 0.00 0.00 61.69 61.48 1j5h s THR 17 Cb 0.00 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1j5h s THR 17 CO 0.00 -0.42 1.90 -0.69 -0.69 0.00 0.00 174.62 174.71 1j5h s VAL 18 N 13.72 3.51 0.42 3.82 1.01 -1.24 -1.92 120.40 139.73 1j5h s VAL 18 Ca 0.80 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 62.35 1j5h s VAL 18 Cb -0.07 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 1j5h s VAL 18 CO 0.10 -1.05 0.21 0.68 0.00 0.00 0.00 175.10 175.03 1j5h s VAL 19 N 9.67 2.33 0.39 2.92 -7.23 -0.71 -4.76 120.40 123.02 1j5h s VAL 19 Ca 0.68 -1.65 -0.27 0.00 -1.81 0.00 0.00 61.98 58.92 1j5h s VAL 19 Cb -0.05 -2.98 -0.10 0.00 0.56 0.00 0.00 36.38 33.81 1j5h s VAL 19 CO 0.00 0.00 1.43 -0.54 -0.31 0.00 0.00 175.10 175.68 1j5h s LYS 20 N -3.94 4.01 -0.03 4.82 1.02 -1.26 -0.50 119.74 123.86 1j5h s LYS 20 Ca 0.42 2.45 -0.03 0.00 0.02 0.00 0.00 55.97 58.82 1j5h s LYS 20 Cb 0.03 -2.87 0.01 0.00 -0.52 0.00 0.00 37.83 34.47 1j5h s LYS 20 CO 0.23 -0.57 0.07 0.08 -0.92 0.00 0.00 175.35 174.25 1j5h s VAL 21 N -1.16 0.01 0.07 3.17 1.01 0.44 -1.60 120.40 122.33 1j5h s VAL 21 Ca 0.55 -0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.46 1j5h s VAL 21 Cb -0.44 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 1j5h s VAL 21 CO 0.59 -0.04 -0.03 0.00 0.00 0.00 0.00 175.10 175.62 1j5h s ALA 22 N -0.08 0.65 0.00 5.51 0.00 -0.66 0.18 121.76 127.36 1j5h s ALA 22 Ca -0.01 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1j5h s ALA 22 Cb -0.01 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.42 1j5h s ALA 22 CO 0.00 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.82 1j5h n GLY 23 N 0.05 -2.05 0.00 0.00 0.00 0.67 -1.26 105.19 102.60 1j5h n GLY 23 Ca -0.13 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.05 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 0.03 0.00 1.11 4.61 0.00 0.19 -1.26 120.51 125.19 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 0.47 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.55 3.83 0.00 0.00 -1.26 0.35 105.19 107.55 1j5h n GLY 25 Ca 0.00 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.95 -1.80 0.00 0.99 7.94 -1.04 -4.25 117.00 117.89 1j5h n LEU 26 Ca 0.12 -1.04 0.00 0.00 -1.11 0.00 0.00 56.01 53.98 1j5h n LEU 26 Cb 0.05 -1.90 0.00 0.00 0.53 0.00 0.00 43.42 42.10 1j5h n LEU 26 CO 0.09 0.46 0.00 1.67 -1.11 0.00 0.00 177.39 178.50 1j5h n GLN 27 N -3.82 0.00 0.00 1.96 -0.06 -0.08 -4.65 117.38 110.73 1j5h n GLN 27 Ca -0.17 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.83 1j5h n GLN 27 Cb 0.61 -0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.79 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 -2.23 1.69 0.00 -1.25 -3.88 120.51 111.84 1j5h n ALA 28 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 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 -0.68 3.36 0.00 0.00 -1.26 -4.83 105.19 101.77 1j5h n GLY 29 Ca 0.00 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.01 0.05 0.69 2.61 2.01 -1.26 -4.93 115.64 111.80 1j5h s THR 30 Ca 0.02 -0.44 -0.17 0.00 0.31 0.00 0.00 61.69 61.41 1j5h s THR 30 Cb -0.00 -1.15 0.01 0.00 0.01 0.00 0.00 72.50 71.37 1j5h s THR 30 CO 0.35 -0.22 1.21 0.00 -0.69 0.00 0.00 174.62 175.27 1j5h n ALA 31 N -0.27 0.65 -3.03 7.40 0.00 -1.26 -0.98 120.51 123.01 1j5h n ALA 31 Ca -0.16 -0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.04 1j5h n ALA 31 Cb 0.64 -2.27 -0.04 0.00 0.00 0.00 0.00 19.45 17.78 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 -1.62 -0.47 0.20 0.00 2.02 0.23 -4.30 117.35 113.42 1j5h s TYR 32 Ca 0.79 -1.32 -0.32 0.00 -0.37 0.00 0.00 57.07 55.85 1j5h s TYR 32 Cb -0.36 -0.21 -0.12 0.00 -0.40 0.00 0.00 41.96 40.87 1j5h s TYR 32 CO 0.44 -1.09 1.70 -0.25 -1.57 0.00 0.00 175.55 174.78 1j5h n ASP 33 N 2.90 3.82 -4.71 2.29 9.92 0.42 -1.78 116.55 129.41 1j5h n ASP 33 Ca 0.23 1.06 -0.31 0.00 -0.53 0.00 0.00 54.79 55.25 1j5h n ASP 33 Cb 0.53 -1.55 0.14 0.00 -0.64 0.00 0.00 41.12 39.60 1j5h n ASP 33 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1j5h s VAL 34 N 1.16 2.64 0.02 2.53 1.01 0.39 -0.71 120.40 127.44 1j5h s VAL 34 Ca 0.76 0.21 -0.15 0.00 0.00 0.00 0.00 61.98 62.79 1j5h s VAL 34 Cb -0.54 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.41 1j5h s VAL 34 CO 0.33 -0.27 0.33 -0.83 0.00 0.00 0.00 175.10 174.67 1j5h s GLY 35 N -3.02 -0.17 -0.15 4.51 0.00 -0.45 -4.56 107.32 103.49 1j5h s GLY 35 Ca 0.64 0.20 -0.06 0.00 0.00 0.00 0.00 44.72 45.50 1j5h s GLY 35 CO 0.57 -0.03 0.32 1.20 0.00 0.00 0.00 173.10 175.16 1j5h s GLN 36 N -2.07 0.22 0.46 2.90 -0.21 -1.26 -1.15 119.66 118.54 1j5h s GLN 36 Ca -0.08 0.82 0.03 0.00 0.02 0.00 0.00 55.36 56.15 1j5h s GLN 36 Cb -0.02 0.07 -0.02 0.00 1.00 0.00 0.00 33.01 34.04 1j5h s GLN 36 CO -0.00 -0.26 0.07 0.00 -2.12 0.00 0.00 175.29 172.98 1j5h s ALA 38 N -3.05 -0.44 -0.18 0.00 0.00 0.18 0.34 121.76 118.60 1j5h s ALA 38 Ca 0.15 0.43 -0.24 0.00 0.00 0.00 0.00 51.96 52.30 1j5h s ALA 38 Cb 0.02 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 1j5h s ALA 38 CO 0.09 -1.18 0.78 -0.46 0.00 0.00 0.00 175.76 174.99 1j5h s TRP 39 N 2.37 3.40 -0.08 0.00 -0.11 -1.26 -0.29 118.94 122.97 1j5h s TRP 39 Ca 0.08 1.16 0.09 0.00 1.22 0.00 0.00 56.10 58.64 1j5h s TRP 39 Cb -0.15 -2.96 -0.13 0.00 -1.50 0.00 0.00 33.47 28.73 1j5h s TRP 39 CO -0.13 -0.24 0.07 0.28 -4.62 0.00 0.00 176.95 172.32 1j5h n VAL 40 N 4.77 0.54 -2.75 5.86 0.31 -0.09 -4.69 118.33 122.27 1j5h n VAL 40 Ca 0.03 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1j5h n VAL 40 Cb 0.49 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 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 -2.26 0.00 0.19 4.52 -0.08 -1.21 -4.92 116.55 112.78 1j5h n ASP 41 Ca -0.13 -0.52 -0.15 0.00 -1.51 0.00 0.00 54.79 52.48 1j5h n ASP 41 Cb 0.71 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 44.09 1j5h n ASP 41 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1j5h h THR 42 N 0.52 0.70 -0.22 5.18 2.02 -2.03 -3.20 112.91 115.88 1j5h h THR 42 Ca 0.00 -0.08 -0.10 0.00 0.77 0.00 0.00 66.41 67.00 1j5h h THR 42 Cb 0.00 0.75 -0.06 0.00 -1.74 0.00 0.00 68.15 67.10 1j5h h THR 42 CO 0.00 0.02 -0.17 0.61 0.37 0.00 0.00 175.52 176.34 1j5h n GLY 43 N -1.15 4.88 2.21 2.16 0.00 -1.26 -4.61 105.19 107.41 1j5h n GLY 43 Ca -0.10 -1.22 -0.24 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.09 2.40 -3.11 1.61 0.31 -1.21 -4.97 118.33 112.27 1j5h n VAL 44 Ca 0.27 -4.37 -0.45 0.00 -0.01 0.00 0.00 64.34 59.78 1j5h n VAL 44 Cb 0.90 -1.05 -0.04 0.00 -0.91 0.00 0.00 33.84 32.74 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 -3.58 5.49 -0.44 7.52 0.20 -1.26 -0.91 118.68 125.70 1j5h s LEU 45 Ca 0.49 -1.65 -0.23 0.00 0.69 0.00 0.00 54.13 53.42 1j5h s LEU 45 Cb 0.40 -2.31 0.02 0.00 -0.43 0.00 0.00 46.19 43.88 1j5h s LEU 45 CO -0.04 -1.05 0.81 0.00 -0.29 0.00 0.00 176.35 175.78 1j5h s ALA 46 N 2.42 3.29 0.54 5.97 0.00 0.61 -4.08 121.76 130.52 1j5h s ALA 46 Ca 0.15 -0.93 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 1j5h s ALA 46 Cb -0.20 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 1j5h s ALA 46 CO 0.03 -1.91 0.86 0.00 0.00 0.00 0.00 175.76 174.74 1j5h s ASN 48 N -4.20 4.95 0.00 0.00 3.84 0.21 -1.58 114.94 118.16 1j5h s ASN 48 Ca 0.51 -3.04 0.00 0.00 0.21 0.00 0.00 52.86 50.54 1j5h s ASN 48 Cb -0.10 -1.77 0.00 0.00 -0.55 0.00 0.00 41.25 38.82 1j5h s ASN 48 CO 0.46 -0.29 1.41 -0.81 -2.79 0.00 0.00 177.10 175.08 1j5h n PRO 49 N 3.18 0.75 0.00 0.43 -0.04 -1.26 -2.15 135.00 135.91 1j5h n PRO 49 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1j5h n PRO 49 Cb 0.36 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 1.51 0.90 -0.31 0.55 0.00 -1.26 -4.86 120.51 117.04 1j5h n ALA 50 Ca 0.00 -0.44 0.24 0.00 0.00 0.00 0.00 53.44 53.24 1j5h n ALA 50 Cb 0.37 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.27 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 -0.03 0.15 0.00 0.00 5.75 -0.91 -4.65 116.55 116.86 1j5h n ASP 51 Ca 0.00 1.58 0.00 0.00 -0.01 0.00 0.00 54.79 56.36 1j5h n ASP 51 Cb 0.43 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 1j5h n ASP 51 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1j5h n PHE 52 N -5.24 0.00 -0.86 2.11 3.01 -1.26 -4.88 117.46 110.34 1j5h n PHE 52 Ca 0.30 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.49 1j5h n PHE 52 Cb 1.02 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.50 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 1.50 -2.85 -3.61 4.37 7.64 -1.26 -4.67 113.62 114.75 1j5h n SER 53 Ca 0.00 0.42 -0.12 0.00 1.01 0.00 0.00 58.87 60.18 1j5h n SER 53 Cb 0.00 -0.60 -0.07 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 -0.71 -0.56 0.00 6.43 1.04 -1.26 -0.46 113.70 118.18 1j5h s SER 54 Ca 0.39 0.93 0.00 0.00 0.48 0.00 0.00 55.95 57.75 1j5h s SER 54 Cb -0.32 0.89 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1j5h s SER 54 CO 0.49 -0.29 0.00 0.55 0.98 0.00 0.00 173.24 174.97 1j5h n VAL 55 N 1.88 0.00 -4.15 5.02 3.14 -0.73 -4.83 118.33 118.66 1j5h n VAL 55 Ca -0.14 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.13 1j5h n VAL 55 Cb 0.56 0.00 -0.09 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 -1.28 0.02 0.81 1.55 2.01 -1.26 0.78 115.64 118.28 1j5h s THR 56 Ca 0.00 -1.86 -0.14 0.00 0.31 0.00 0.00 61.69 60.00 1j5h s THR 56 Cb 0.00 -2.33 0.19 0.00 0.01 0.00 0.00 72.50 70.37 1j5h s THR 56 CO 0.00 -0.11 1.02 0.00 -0.69 0.00 0.00 174.62 174.85 1j5h n ALA 57 N -0.25 -1.47 -3.34 7.40 0.00 -0.15 -3.39 120.51 119.31 1j5h n ALA 57 Ca -0.01 -1.36 -0.15 0.00 0.00 0.00 0.00 53.44 51.93 1j5h n ALA 57 Cb 0.65 -0.07 -0.15 0.00 0.00 0.00 0.00 19.45 19.87 1j5h n ALA 57 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1j5h s ASP 58 N -4.69 0.18 0.00 0.00 1.47 0.51 -4.64 116.67 109.50 1j5h s ASP 58 Ca 0.59 -0.00 0.00 0.00 1.18 0.00 0.00 52.55 54.32 1j5h s ASP 58 Cb -0.02 -0.08 0.00 0.00 -0.34 0.00 0.00 42.92 42.48 1j5h s ASP 58 CO 0.42 -0.06 0.00 0.00 0.68 0.00 0.00 175.17 176.21 1j5h n ALA 59 N 3.67 0.00 0.00 2.11 0.00 -1.26 0.05 120.51 125.08 1j5h n ALA 59 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1j5h n ALA 59 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -4.84 115.26 114.31 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 1.10 3.72 8.20 0.00 0.11 -3.97 105.19 114.35 1j5h n GLY 61 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.12 7.33 0.76 1.61 0.15 -1.18 -0.91 113.70 120.34 1j5h s SER 62 Ca 0.00 1.79 -0.11 0.00 0.70 0.00 0.00 55.95 58.32 1j5h s SER 62 Cb 0.00 -2.58 0.04 0.00 -1.71 0.00 0.00 66.02 61.78 1j5h s SER 62 CO 0.00 -0.26 1.10 0.00 1.20 0.00 0.00 173.24 175.28 1j5h s ALA 63 N 0.74 2.57 -0.30 5.45 0.00 -0.39 0.19 121.76 130.02 1j5h s ALA 63 Ca 0.52 -0.29 -0.06 0.00 0.00 0.00 0.00 51.96 52.13 1j5h s ALA 63 Cb -0.24 -3.06 0.17 0.00 0.00 0.00 0.00 23.12 19.99 1j5h s ALA 63 CO 0.29 -1.45 0.69 -1.54 0.00 0.00 0.00 175.76 173.75 1j5h s SER 64 N -4.15 -1.17 0.00 0.00 1.04 -1.22 -0.24 113.70 107.97 1j5h s SER 64 Ca 0.60 0.99 0.00 0.00 0.48 0.00 0.00 55.95 58.02 1j5h s SER 64 Cb -0.13 2.08 0.00 0.00 0.10 0.00 0.00 66.02 68.08 1j5h s SER 64 CO 0.53 -0.22 0.00 1.07 0.98 0.00 0.00 173.24 175.60 1j5h n THR 65 N 5.41 0.00 -3.16 2.02 5.66 0.13 -4.76 114.28 119.57 1j5h n THR 65 Ca -0.05 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.55 1j5h n THR 65 Cb 0.51 0.00 -0.06 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 0.00 6.70 -0.08 1.09 0.01 -1.26 0.17 113.70 120.33 1j5h s SER 66 Ca 0.00 0.85 0.02 0.00 1.31 0.00 0.00 55.95 58.13 1j5h s SER 66 Cb 0.00 -2.34 -0.02 0.00 0.21 0.00 0.00 66.02 63.87 1j5h s SER 66 CO 0.00 -0.19 -0.13 -0.76 0.41 0.00 0.00 173.24 172.57 1j5h s LEU 67 N 1.50 2.76 -0.70 2.44 1.02 0.35 -4.84 118.68 121.22 1j5h s LEU 67 Ca 0.29 -0.23 -0.26 0.00 0.02 0.00 0.00 54.13 53.95 1j5h s LEU 67 Cb -0.16 -1.59 0.04 0.00 0.02 0.00 0.00 46.19 44.51 1j5h s LEU 67 CO 0.11 0.28 1.17 0.28 0.02 0.00 0.00 176.35 178.21 1j5h s THR 68 N -0.34 3.93 -0.79 5.49 -1.32 -1.26 -1.73 115.64 119.63 1j5h s THR 68 Ca 0.03 0.21 -0.12 0.00 -1.21 0.00 0.00 61.69 60.60 1j5h s THR 68 Cb -0.13 -4.83 -0.10 0.00 -1.51 0.00 0.00 72.50 65.94 1j5h s THR 68 CO 0.02 -1.69 1.96 0.52 -2.21 0.00 0.00 174.62 173.23 1j5h n VAL 69 N 6.26 2.00 -1.57 5.08 0.31 -0.81 -4.64 118.33 124.97 1j5h n VAL 69 Ca 0.01 -1.39 -0.53 0.00 -0.01 0.00 0.00 64.34 62.42 1j5h n VAL 69 Cb 0.48 -2.17 -0.06 0.00 -0.91 0.00 0.00 33.84 31.18 1j5h n VAL 69 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1j5h n ARG 70 N 5.43 0.91 0.00 5.55 1.85 -1.26 -2.31 116.66 126.83 1j5h n ARG 70 Ca 0.44 0.33 0.00 0.00 -1.00 0.00 0.00 57.85 57.62 1j5h n ARG 70 Cb 0.24 -1.91 0.00 0.00 -1.05 0.00 0.00 32.46 29.74 1j5h n ARG 70 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1j5h n ARG 71 N 2.18 0.00 -3.58 2.89 0.63 -1.26 -4.60 116.66 112.92 1j5h n ARG 71 Ca 0.18 0.17 -0.37 0.00 -0.92 0.00 0.00 57.85 56.91 1j5h n ARG 71 Cb 0.18 -0.59 -0.08 0.00 0.45 0.00 0.00 32.46 32.42 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 -2.81 6.26 0.14 6.15 0.15 -1.26 -1.78 113.70 120.56 1j5h s SER 72 Ca 0.00 0.29 -0.08 0.00 0.70 0.00 0.00 55.95 56.86 1j5h s SER 72 Cb 0.00 -2.15 0.03 0.00 -1.71 0.00 0.00 66.02 62.19 1j5h s SER 72 CO 0.00 0.05 0.43 2.22 1.20 0.00 0.00 173.24 177.13 1j5h n PHE 73 N 4.14 -1.35 -3.41 3.44 1.16 -0.57 -4.89 117.46 115.97 1j5h n PHE 73 Ca -0.13 -0.76 -0.40 0.00 -1.87 0.00 0.00 57.45 54.29 1j5h n PHE 73 Cb 0.52 0.38 -0.09 0.00 -1.61 0.00 0.00 39.48 38.67 1j5h n PHE 73 CO 0.00 0.00 0.00 -1.83 -1.87 0.00 0.00 176.76 173.06 1j5h s GLU 74 N -2.03 3.82 0.17 3.97 -1.05 -1.26 -1.42 118.70 120.90 1j5h s GLU 74 Ca 0.09 -0.18 0.08 0.00 -0.15 0.00 0.00 54.97 54.82 1j5h s GLU 74 Cb -0.02 -3.72 -0.04 0.00 -0.44 0.00 0.00 34.13 29.91 1j5h s GLU 74 CO 0.04 -0.37 -0.08 0.20 0.95 0.00 0.00 175.26 176.00 1j5h s GLY 75 N 1.69 1.74 -0.06 -3.83 0.00 -1.26 -4.74 107.32 100.86 1j5h s GLY 75 Ca 0.13 -1.42 -0.07 0.00 0.00 0.00 0.00 44.72 43.36 1j5h s GLY 75 CO 0.11 -1.44 0.19 -0.12 0.00 0.00 0.00 173.10 171.84 1j5h s PHE 76 N -1.64 -0.17 0.06 1.90 2.19 -0.62 -0.70 117.98 119.00 1j5h s PHE 76 Ca 0.25 0.41 -0.30 0.00 0.33 0.00 0.00 56.93 57.62 1j5h s PHE 76 Cb -0.09 0.05 -0.15 0.00 -1.31 0.00 0.00 43.02 41.52 1j5h s PHE 76 CO 0.16 -0.14 1.46 -0.07 1.83 0.00 0.00 175.22 178.45 1j5h h LEU 77 N 5.51 -1.05 0.00 6.12 4.07 -1.24 1.03 115.31 129.75 1j5h h LEU 77 Ca -0.26 0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.76 1j5h h LEU 77 Cb 1.20 0.31 0.00 0.00 1.08 0.00 0.00 40.66 43.25 1j5h h LEU 77 CO 0.39 -0.60 0.00 0.33 -1.08 0.00 0.00 178.44 177.48 1j5h n PHE 78 N -4.94 0.00 0.00 1.13 7.35 -1.26 -4.29 117.46 115.45 1j5h n PHE 78 Ca -0.12 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.57 1j5h n PHE 78 Cb 0.40 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.23 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 0.08 -2.13 -0.08 -1.26 -5.05 116.55 108.11 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 -1.65 3.31 0.27 0.00 -1.26 -5.16 105.19 100.69 1j5h n GLY 80 Ca 0.00 0.54 -0.17 0.00 0.00 0.00 0.00 46.02 46.40 1j5h n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5h s THR 81 N -1.84 0.41 -0.07 2.61 2.01 -1.26 -5.06 115.64 112.44 1j5h s THR 81 Ca 0.00 -2.00 -0.29 0.00 0.31 0.00 0.00 61.69 59.71 1j5h s THR 81 Cb 0.00 -2.58 0.07 0.00 0.01 0.00 0.00 72.50 70.00 1j5h s THR 81 CO 0.00 0.00 0.66 0.00 -0.69 0.00 0.00 174.62 174.59 1j5h s ARG 82 N -3.98 1.01 0.00 4.92 1.70 -1.26 -1.06 118.95 120.28 1j5h s ARG 82 Ca 0.37 0.30 0.00 0.00 -0.47 0.00 0.00 55.73 55.93 1j5h s ARG 82 Cb 0.07 0.48 0.00 0.00 -0.57 0.00 0.00 34.95 34.92 1j5h s ARG 82 CO 0.15 -0.30 0.00 0.91 -1.08 0.00 0.00 175.30 174.98 1j5h n TRP 83 N 1.10 0.00 0.00 5.89 7.02 0.12 -4.98 117.44 126.59 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 0.57 -0.08 0.00 0.00 -2.42 0.00 0.00 31.31 29.38 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 2.08 -1.90 1.06 6.99 0.00 -1.07 -4.87 105.19 107.48 1j5h n GLY 84 Ca 0.00 -1.28 -0.01 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.47 -0.11 -3.75 2.61 -1.04 -1.18 -4.77 114.28 105.56 1j5h n THR 85 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1j5h n THR 85 Cb 0.00 -0.10 -0.08 0.00 -1.82 0.00 0.00 70.33 68.33 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 -0.04 0.07 -0.39 12.58 0.11 -0.50 -4.95 120.40 127.28 1j5h s VAL 86 Ca 0.01 -0.62 -0.29 0.00 -2.93 0.00 0.00 61.98 58.15 1j5h s VAL 86 Cb -0.00 -0.86 0.02 0.00 -1.53 0.00 0.00 36.38 34.01 1j5h s VAL 86 CO 0.02 -0.34 1.19 1.51 -3.33 0.00 0.00 175.10 174.16 1j5h s ASP 87 N -1.88 6.68 0.51 3.54 1.47 -1.26 -1.52 116.67 124.21 1j5h s ASP 87 Ca -0.07 0.82 0.25 0.00 1.18 0.00 0.00 52.55 54.73 1j5h s ASP 87 Cb -0.02 -2.54 1.39 0.00 -0.34 0.00 0.00 42.92 41.41 1j5h s ASP 87 CO -0.01 -1.15 2.07 0.00 0.68 0.00 0.00 175.17 176.76 1j5h h THR 89 N 0.00 0.08 0.00 0.00 1.35 -1.82 2.08 112.91 114.61 1j5h h THR 89 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.81 1j5h h THR 89 Cb 0.32 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 67.26 1j5h h THR 89 CO 0.02 0.00 -0.25 0.74 -0.25 0.00 0.00 175.52 175.77 1j5h h THR 90 N 0.00 0.51 0.00 6.82 2.02 -1.66 -3.22 112.91 117.38 1j5h h THR 90 Ca 0.07 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.86 1j5h h THR 90 Cb 1.08 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.48 1j5h h THR 90 CO -0.00 0.25 -0.22 0.00 0.37 0.00 0.00 175.52 175.91 1j5h n ALA 91 N -2.19 2.00 -2.71 6.16 0.00 0.58 -5.05 120.51 119.31 1j5h n ALA 91 Ca 0.01 -1.57 -0.25 0.00 0.00 0.00 0.00 53.44 51.64 1j5h n ALA 91 Cb 0.53 -0.37 0.03 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.58 -1.87 -0.70 0.00 0.00 0.53 -4.24 120.51 113.66 1j5h n ALA 92 Ca 0.06 0.21 -0.06 0.00 0.00 0.00 0.00 53.44 53.65 1j5h n ALA 92 Cb 0.62 -1.43 0.10 0.00 0.00 0.00 0.00 19.45 18.74 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 -3.17 0.31 -0.13 0.00 0.00 0.15 -2.00 119.66 114.84 1j5h s GLN 94 Ca 0.23 -0.04 0.03 0.00 -0.00 0.00 0.00 55.36 55.59 1j5h s GLN 94 Cb -0.04 0.14 0.01 0.00 0.00 0.00 0.00 33.01 33.12 1j5h s GLN 94 CO 0.20 -0.06 -0.22 0.54 0.00 0.00 0.00 175.29 175.75 1j5h s VAL 95 N -0.53 1.99 0.00 3.63 0.11 -0.66 -0.98 120.40 123.96 1j5h s VAL 95 Ca -0.06 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 58.04 1j5h s VAL 95 Cb -0.04 -1.76 0.00 0.00 -1.53 0.00 0.00 36.38 33.05 1j5h s VAL 95 CO 0.01 0.54 0.00 0.61 -3.33 0.00 0.00 175.10 172.93 1j5h n GLY 96 N 3.97 4.18 3.26 6.54 0.00 -0.30 -1.06 105.19 121.78 1j5h n GLY 96 Ca -0.20 -1.66 -0.23 0.00 0.00 0.00 0.00 46.02 43.93 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 2.27 0.03 0.99 1.43 -1.26 -1.34 118.68 120.80 1j5h s LEU 97 Ca 0.00 -0.64 -0.03 0.00 -1.03 0.00 0.00 54.13 52.43 1j5h s LEU 97 Cb 0.00 -0.82 -0.02 0.00 0.03 0.00 0.00 46.19 45.37 1j5h s LEU 97 CO 0.00 0.05 0.02 -0.44 0.23 0.00 0.00 176.35 176.21 1j5h s SER 98 N -1.75 0.28 0.55 2.29 0.01 0.12 -4.39 113.70 110.80 1j5h s SER 98 Ca 0.05 -0.65 0.09 0.00 1.31 0.00 0.00 55.95 56.75 1j5h s SER 98 Cb -0.10 0.18 0.07 0.00 0.21 0.00 0.00 66.02 66.38 1j5h s SER 98 CO 0.03 -0.46 0.67 1.51 0.41 0.00 0.00 173.24 175.40 1j5h s ASP 99 N -2.12 5.04 -0.13 2.44 1.47 -1.26 0.16 116.67 122.26 1j5h s ASP 99 Ca -0.05 -0.90 0.05 0.00 1.18 0.00 0.00 52.55 52.83 1j5h s ASP 99 Cb -0.02 0.22 0.37 0.00 -0.34 0.00 0.00 42.92 43.15 1j5h s ASP 99 CO -0.05 -1.22 1.16 0.00 0.68 0.00 0.00 175.17 175.74 1j5h n ALA 100 N -2.08 3.32 0.00 2.11 0.00 -1.26 -2.55 120.51 120.05 1j5h n ALA 100 Ca 0.11 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1j5h n ALA 100 Cb 0.62 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 0.17 1.95 -0.05 0.00 0.00 -1.26 -4.94 120.51 116.38 1j5h n ALA 101 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.50 1j5h n ALA 101 Cb 0.77 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.13 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 -0.02 0.00 0.00 0.00 -1.96 -3.48 103.07 97.60 1j5h h GLY 102 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1j5h h GLY 102 CO 0.00 -0.01 0.00 -2.01 0.00 0.00 0.00 176.54 174.52 1j5h n ASN 103 N -4.69 0.00 0.00 0.19 5.15 -1.06 -4.88 115.26 109.98 1j5h n ASN 103 Ca -0.07 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 1j5h n ASN 103 Cb 0.33 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.58 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 0.52 3.77 8.20 0.00 -1.26 -4.79 105.19 111.63 1j5h n GLY 104 Ca 0.00 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 1j5h n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j5h s PRO 105 N -3.33 4.34 0.00 1.61 0.04 -1.26 -4.91 135.00 131.50 1j5h s PRO 105 Ca 0.00 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1j5h s PRO 105 Cb 0.00 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1j5h s PRO 105 CO 0.00 -0.00 0.00 0.39 0.04 0.00 0.00 177.00 177.43 1j5h n GLU 106 N 0.40 0.00 -3.41 4.56 1.02 -1.26 -5.10 120.64 116.85 1j5h n GLU 106 Ca 0.03 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.95 1j5h n GLU 106 Cb 0.48 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.91 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 2.05 -0.27 0.62 0.00 -1.26 -4.52 107.32 103.93 1j5h s GLY 107 Ca 0.00 -1.77 -0.12 0.00 0.00 0.00 0.00 44.72 42.83 1j5h s GLY 107 CO 0.00 -1.74 0.26 0.54 0.00 0.00 0.00 173.10 172.16 1j5h s VAL 108 N -2.61 5.26 -0.14 1.40 0.11 -0.22 -4.66 120.40 119.54 1j5h s VAL 108 Ca 0.50 0.32 -0.29 0.00 -2.93 0.00 0.00 61.98 59.58 1j5h s VAL 108 Cb -0.05 -3.59 -0.06 0.00 -1.53 0.00 0.00 36.38 31.16 1j5h s VAL 108 CO 0.30 0.22 2.00 0.00 -3.33 0.00 0.00 175.10 174.29 1j5h s ALA 109 N 1.83 3.13 0.20 1.54 0.00 -1.26 -1.66 121.76 125.54 1j5h s ALA 109 Ca 0.10 0.88 0.10 0.00 0.00 0.00 0.00 51.96 53.05 1j5h s ALA 109 Cb -0.16 -3.95 -0.04 0.00 0.00 0.00 0.00 23.12 18.97 1j5h s ALA 109 CO 0.10 -2.21 -0.17 0.42 0.00 0.00 0.00 175.76 173.90 1j5h s ILE 110 N 6.33 2.73 -0.60 0.00 1.01 -0.85 -4.96 121.20 124.86 1j5h s ILE 110 Ca 0.90 -1.90 -0.22 0.00 0.00 0.00 0.00 60.65 59.42 1j5h s ILE 110 Cb -0.34 -2.34 0.06 0.00 0.01 0.00 0.00 42.46 39.85 1j5h s ILE 110 CO 0.36 -0.14 0.89 -0.44 0.00 0.00 0.00 174.94 175.61 1j5h s SER 111 N -2.81 6.23 0.42 3.58 0.01 -0.72 -4.20 113.70 116.21 1j5h s SER 111 Ca 0.23 -0.82 -0.00 0.00 1.31 0.00 0.00 55.95 56.67 1j5h s SER 111 Cb -0.08 -2.40 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 1j5h s SER 111 CO 0.13 -1.28 0.64 -0.36 0.41 0.00 0.00 173.24 172.78 1j5h s PHE 112 N 3.73 3.34 0.00 2.43 0.40 -1.26 -1.69 117.98 124.92 1j5h s PHE 112 Ca 0.23 0.32 0.00 0.00 -0.60 0.00 0.00 56.93 56.87 1j5h s PHE 112 Cb -0.16 -2.19 0.00 0.00 0.51 0.00 0.00 43.02 41.18 1j5h s PHE 112 CO 0.13 -0.21 0.00 -1.71 0.70 0.00 0.00 175.22 174.13