#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 -3.00 0.00 0.00 -1.96 -3.47 119.26 110.87 1j5h h ALA 2 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1j5h h ALA 2 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1j5h h ALA 2 CO 0.00 0.10 0.00 -0.35 0.00 0.00 0.00 179.25 179.00 1j5h n PRO 3 N -4.59 0.65 0.00 0.00 -0.04 -1.26 -5.10 135.00 124.66 1j5h n PRO 3 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1j5h n PRO 3 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 1j5h n PRO 3 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1j5h n THR 4 N -0.71 0.00 -3.36 0.52 5.66 0.37 -4.75 114.28 112.02 1j5h n THR 4 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.81 1j5h n THR 4 Cb 0.00 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1j5h n THR 4 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1j5h s ALA 5 N -2.00 4.27 0.01 1.79 0.00 -1.25 0.70 121.76 125.27 1j5h s ALA 5 Ca 0.00 -1.48 -0.21 0.00 0.00 0.00 0.00 51.96 50.28 1j5h s ALA 5 Cb 0.00 -1.70 0.04 0.00 0.00 0.00 0.00 23.12 21.47 1j5h s ALA 5 CO 0.00 -0.10 0.46 0.95 0.00 0.00 0.00 175.76 177.07 1j5h s THR 6 N -2.23 0.04 -0.14 0.00 -4.23 -0.04 -4.64 115.64 104.39 1j5h s THR 6 Ca 0.47 -0.32 -0.07 0.00 -1.18 0.00 0.00 61.69 60.58 1j5h s THR 6 Cb -0.10 -0.87 -0.04 0.00 1.34 0.00 0.00 72.50 72.83 1j5h s THR 6 CO 0.32 -0.18 0.12 -0.69 -0.54 0.00 0.00 174.62 173.65 1j5h s VAL 7 N -1.87 5.32 0.13 2.29 1.01 -1.26 -1.75 120.40 124.26 1j5h s VAL 7 Ca -0.09 0.14 -0.26 0.00 0.00 0.00 0.00 61.98 61.78 1j5h s VAL 7 Cb -0.02 -3.35 -0.06 0.00 0.00 0.00 0.00 36.38 32.96 1j5h s VAL 7 CO 0.02 0.56 1.30 0.41 0.00 0.00 0.00 175.10 177.40 1j5h n THR 8 N 2.52 -0.56 -0.12 3.92 -1.04 -0.93 -4.47 114.28 113.61 1j5h n THR 8 Ca -0.19 2.05 0.00 0.00 -2.04 0.00 0.00 64.05 63.87 1j5h n THR 8 Cb 0.54 -2.53 0.00 0.00 -1.82 0.00 0.00 70.33 66.52 1j5h n THR 8 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1j5h n PRO 9 N -4.98 0.76 0.00 -2.82 -0.04 -1.26 -5.03 135.00 121.63 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 0.21 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.67 1j5h n PRO 9 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1j5h n SER 10 N -0.47 0.00 0.00 3.54 7.64 -1.26 -4.98 113.62 118.08 1j5h n SER 10 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1j5h n SER 10 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1j5h n SER 10 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1j5h n SER 11 N 0.00 0.00 -3.45 6.43 2.88 -1.24 -1.88 113.62 116.35 1j5h n SER 11 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 1j5h n SER 11 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 1j5h n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j5h n GLY 12 N -0.46 -0.53 0.00 0.46 0.00 0.37 -4.78 105.19 100.25 1j5h n GLY 12 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -4.61 0.00 -3.53 0.99 4.77 -0.71 -4.95 117.00 108.96 1j5h n LEU 13 Ca -0.02 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.81 1j5h n LEU 13 Cb 0.57 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.61 1j5h n LEU 13 CO 0.60 0.00 0.34 -0.55 -1.33 0.00 0.00 177.39 176.46 1j5h s SER 14 N -1.00 -0.52 -0.71 -1.43 0.15 -1.26 -4.60 113.70 104.32 1j5h s SER 14 Ca 0.00 0.29 -0.26 0.00 0.70 0.00 0.00 55.95 56.69 1j5h s SER 14 Cb 0.00 0.52 -0.14 0.00 -1.71 0.00 0.00 66.02 64.69 1j5h s SER 14 CO 0.00 -0.73 2.46 -0.67 1.20 0.00 0.00 173.24 175.49 1j5h n ASP 15 N 0.41 1.42 0.00 5.45 4.64 -1.26 0.04 116.55 127.24 1j5h n ASP 15 Ca -0.18 -0.57 0.00 0.00 -1.38 0.00 0.00 54.79 52.66 1j5h n ASP 15 Cb 0.60 -1.36 0.00 0.00 -1.04 0.00 0.00 41.12 39.32 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 6.24 1.25 3.57 0.27 0.00 -0.69 -4.63 105.19 111.20 1j5h n GLY 16 Ca 0.48 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.00 3.58 -0.64 2.61 2.01 0.11 -4.62 115.64 116.69 1j5h s THR 17 Ca 0.00 -0.70 -0.27 0.00 0.31 0.00 0.00 61.69 61.02 1j5h s THR 17 Cb 0.00 -4.39 0.02 0.00 0.01 0.00 0.00 72.50 68.14 1j5h s THR 17 CO 0.00 -1.15 1.38 -0.69 -0.69 0.00 0.00 174.62 173.47 1j5h s VAL 18 N 9.42 3.75 0.42 3.82 1.01 -1.26 -1.59 120.40 135.97 1j5h s VAL 18 Ca 0.66 0.55 0.04 0.00 0.00 0.00 0.00 61.98 63.22 1j5h s VAL 18 Cb -0.03 -4.62 -0.02 0.00 0.00 0.00 0.00 36.38 31.70 1j5h s VAL 18 CO 0.03 -1.44 0.11 0.68 0.00 0.00 0.00 175.10 174.48 1j5h s VAL 19 N 6.10 0.70 0.36 2.92 -7.23 -0.75 -4.92 120.40 117.57 1j5h s VAL 19 Ca 0.46 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.37 1j5h s VAL 19 Cb -0.09 -2.35 -0.09 0.00 0.56 0.00 0.00 36.38 34.40 1j5h s VAL 19 CO 0.21 0.00 1.05 -0.75 -0.31 0.00 0.00 175.10 175.30 1j5h s LYS 20 N -3.74 4.33 -0.02 4.82 2.20 -1.26 -0.20 119.74 125.87 1j5h s LYS 20 Ca 0.22 1.58 -0.03 0.00 -0.36 0.00 0.00 55.97 57.38 1j5h s LYS 20 Cb 0.03 -2.74 0.00 0.00 -1.51 0.00 0.00 37.83 33.61 1j5h s LYS 20 CO 0.13 -0.01 0.08 0.08 -0.36 0.00 0.00 175.35 175.27 1j5h s VAL 21 N -1.51 0.03 0.04 4.02 1.01 0.28 -2.18 120.40 122.09 1j5h s VAL 21 Ca 0.53 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 62.22 1j5h s VAL 21 Cb -0.25 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 1j5h s VAL 21 CO 0.31 -0.15 0.01 0.00 0.00 0.00 0.00 175.10 175.27 1j5h s ALA 22 N -0.45 0.22 0.00 5.51 0.00 -0.72 -0.47 121.76 125.85 1j5h s ALA 22 Ca -0.05 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1j5h s ALA 22 Cb -0.03 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.32 1j5h s ALA 22 CO 0.00 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1j5h n GLY 23 N 0.73 0.81 0.00 0.00 0.00 0.13 -0.86 105.19 106.00 1j5h n GLY 23 Ca -0.18 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.71 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 0.81 0.00 0.50 4.61 0.00 0.22 -1.25 120.51 125.40 1j5h n ALA 24 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1j5h n ALA 24 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.69 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 -0.32 3.57 0.00 0.00 -1.26 0.14 105.19 107.32 1j5h n GLY 25 Ca 0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.06 -3.46 0.00 0.99 7.94 -1.01 -4.72 117.00 115.68 1j5h n LEU 26 Ca 0.06 -0.78 0.00 0.00 -1.11 0.00 0.00 56.01 54.18 1j5h n LEU 26 Cb 0.04 -2.38 0.00 0.00 0.53 0.00 0.00 43.42 41.61 1j5h n LEU 26 CO 0.05 0.07 0.00 1.67 -1.11 0.00 0.00 177.39 178.07 1j5h n GLN 27 N -3.18 0.00 0.00 1.96 -0.06 0.36 -4.61 117.38 111.86 1j5h n GLN 27 Ca -0.14 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.86 1j5h n GLN 27 Cb 0.60 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.78 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 -3.34 1.69 0.00 -1.26 -3.85 120.51 110.76 1j5h n ALA 28 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1j5h n ALA 28 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.47 3.79 0.00 0.00 -1.20 -4.91 105.19 102.41 1j5h n GLY 29 Ca 0.00 0.05 -0.22 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 -2.70 3.95 0.54 2.61 2.01 -1.26 -4.68 115.64 116.10 1j5h s THR 30 Ca 0.36 -1.52 -0.21 0.00 0.31 0.00 0.00 61.69 60.64 1j5h s THR 30 Cb -0.20 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 1j5h s THR 30 CO 0.44 -0.30 1.21 0.00 -0.69 0.00 0.00 174.62 175.29 1j5h s ALA 31 N -2.23 2.75 -0.46 7.40 0.00 -1.26 -1.07 121.76 126.89 1j5h s ALA 31 Ca 0.35 1.03 0.06 0.00 0.00 0.00 0.00 51.96 53.39 1j5h s ALA 31 Cb -0.07 -3.44 0.19 0.00 0.00 0.00 0.00 23.12 19.80 1j5h s ALA 31 CO 0.24 -1.00 0.57 0.66 0.00 0.00 0.00 175.76 176.22 1j5h n TYR 32 N -1.11 -2.33 -1.66 0.00 4.01 0.93 -4.66 117.16 112.35 1j5h n TYR 32 Ca 0.11 -2.37 -0.44 0.00 -0.16 0.00 0.00 57.90 55.04 1j5h n TYR 32 Cb 0.48 0.84 -0.01 0.00 -0.31 0.00 0.00 39.34 40.34 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 2.66 2.28 -4.66 7.72 -0.08 0.73 -1.41 116.55 123.80 1j5h n ASP 33 Ca 0.22 1.19 -0.30 0.00 -1.51 0.00 0.00 54.79 54.39 1j5h n ASP 33 Cb 0.53 -1.41 0.17 0.00 2.34 0.00 0.00 41.12 42.75 1j5h n ASP 33 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1j5h s VAL 34 N -0.86 2.39 0.00 5.18 1.01 0.32 0.93 120.40 129.37 1j5h s VAL 34 Ca 0.59 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1j5h s VAL 34 Cb -0.63 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1j5h s VAL 34 CO 0.59 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1j5h n GLY 35 N -0.20 0.38 1.65 4.51 0.00 -0.50 -4.40 105.19 106.62 1j5h n GLY 35 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.62 -3.63 1.61 -0.06 -1.25 -4.36 117.38 109.07 1j5h n GLN 36 Ca 0.00 0.90 -0.19 0.00 -2.00 0.00 0.00 57.00 55.71 1j5h n GLN 36 Cb 0.00 -1.55 -0.04 0.00 -4.06 0.00 0.00 30.24 24.58 1j5h n GLN 36 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j5h s ALA 38 N -2.64 -1.48 0.28 0.00 0.00 0.28 -1.19 121.76 117.01 1j5h s ALA 38 Ca 0.07 0.44 -0.29 0.00 0.00 0.00 0.00 51.96 52.17 1j5h s ALA 38 Cb 0.00 -2.17 -0.09 0.00 0.00 0.00 0.00 23.12 20.85 1j5h s ALA 38 CO 0.05 -1.75 1.15 -0.46 0.00 0.00 0.00 175.76 174.75 1j5h s TRP 39 N 2.61 3.46 0.00 0.00 -0.00 -1.26 -0.55 118.94 123.19 1j5h s TRP 39 Ca 0.10 1.60 0.00 0.00 -0.00 0.00 0.00 56.10 57.80 1j5h s TRP 39 Cb -0.12 -3.38 0.00 0.00 -0.00 0.00 0.00 33.47 29.97 1j5h s TRP 39 CO -0.29 -0.89 0.00 0.28 -0.00 0.00 0.00 176.95 176.05 1j5h n VAL 40 N 1.31 0.00 0.00 5.86 0.31 -0.40 -4.67 118.33 120.74 1j5h n VAL 40 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1j5h n VAL 40 Cb 0.44 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 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 0.00 -1.33 0.09 4.52 10.43 -1.22 -4.85 116.55 124.19 1j5h n ASP 41 Ca 0.00 0.00 -0.17 0.00 2.57 0.00 0.00 54.79 57.19 1j5h n ASP 41 Cb 0.00 0.00 -0.11 0.00 1.84 0.00 0.00 41.12 42.85 1j5h n ASP 41 CO 0.00 0.00 0.00 0.74 -1.07 0.00 0.00 177.20 176.87 1j5h h THR 42 N -1.65 1.41 -0.05 -3.53 2.02 -2.05 -3.31 112.91 105.75 1j5h h THR 42 Ca 0.00 -2.73 -0.03 0.00 0.77 0.00 0.00 66.41 64.43 1j5h h THR 42 Cb 0.00 2.73 -0.02 0.00 -1.74 0.00 0.00 68.15 69.13 1j5h h THR 42 CO 0.00 0.81 -0.40 0.61 0.37 0.00 0.00 175.52 176.91 1j5h n GLY 43 N 1.32 5.09 2.95 2.16 0.00 -1.26 -4.97 105.19 110.48 1j5h n GLY 43 Ca -0.09 -1.28 -0.25 0.00 0.00 0.00 0.00 46.02 44.39 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 -3.21 0.98 -0.25 1.61 1.01 -1.25 -5.10 120.40 114.18 1j5h s VAL 44 Ca 0.39 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 1j5h s VAL 44 Cb 0.37 -0.96 0.08 0.00 0.00 0.00 0.00 36.38 35.88 1j5h s VAL 44 CO -0.05 0.34 0.09 -0.22 0.00 0.00 0.00 175.10 175.25 1j5h s LEU 45 N 1.15 1.20 -0.87 3.92 0.20 -1.26 -1.27 118.68 121.75 1j5h s LEU 45 Ca -0.06 -1.17 -0.24 0.00 0.69 0.00 0.00 54.13 53.35 1j5h s LEU 45 Cb -0.14 -0.56 0.05 0.00 -0.43 0.00 0.00 46.19 45.11 1j5h s LEU 45 CO -0.02 -0.38 1.30 0.00 -0.29 0.00 0.00 176.35 176.96 1j5h s ALA 46 N 1.89 2.84 0.56 5.97 0.00 0.28 -4.14 121.76 129.17 1j5h s ALA 46 Ca 0.05 -1.95 -0.08 0.00 0.00 0.00 0.00 51.96 49.98 1j5h s ALA 46 Cb -0.17 -4.30 -0.04 0.00 0.00 0.00 0.00 23.12 18.61 1j5h s ALA 46 CO -0.22 -3.34 0.92 0.00 0.00 0.00 0.00 175.76 173.13 1j5h n ASN 48 N -2.54 3.53 -0.64 0.00 5.15 0.47 0.15 115.26 121.38 1j5h n ASN 48 Ca 0.04 -3.31 0.00 0.00 -0.60 0.00 0.00 54.58 50.71 1j5h n ASN 48 Cb 0.55 -0.76 0.00 0.00 -0.53 0.00 0.00 39.78 39.03 1j5h n ASN 48 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1j5h n PRO 49 N 1.51 0.75 0.00 1.20 -0.04 -1.26 -1.81 135.00 135.35 1j5h n PRO 49 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1j5h n PRO 49 Cb 0.37 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.26 1.99 -0.30 0.55 0.00 -1.26 -4.76 120.51 117.00 1j5h n ALA 50 Ca 0.00 -0.61 0.19 0.00 0.00 0.00 0.00 53.44 53.02 1j5h n ALA 50 Cb 0.24 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.16 0.05 0.00 0.00 5.68 -0.75 -4.69 116.55 116.69 1j5h n ASP 51 Ca 0.00 1.48 0.00 0.00 -0.50 0.00 0.00 54.79 55.77 1j5h n ASP 51 Cb 0.14 -0.61 0.00 0.00 -1.14 0.00 0.00 41.12 39.51 1j5h n ASP 51 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1j5h n PHE 52 N -5.17 0.00 -1.79 2.11 7.35 -1.26 -4.96 117.46 113.73 1j5h n PHE 52 Ca 0.25 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.61 1j5h n PHE 52 Cb 0.85 -0.04 0.04 0.00 0.35 0.00 0.00 39.48 40.68 1j5h n PHE 52 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1j5h s SER 53 N -0.78 5.16 -0.00 -2.13 0.01 -1.26 -4.88 113.70 109.82 1j5h s SER 53 Ca 0.00 2.01 -0.25 0.00 1.31 0.00 0.00 55.95 59.02 1j5h s SER 53 Cb 0.00 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.73 1j5h s SER 53 CO 0.00 -1.59 0.55 -0.94 0.41 0.00 0.00 173.24 171.67 1j5h s SER 54 N -2.54 -0.49 0.17 2.44 1.04 -1.26 0.12 113.70 113.17 1j5h s SER 54 Ca 0.67 0.39 -0.00 0.00 0.48 0.00 0.00 55.95 57.49 1j5h s SER 54 Cb -0.21 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 1j5h s SER 54 CO 0.40 -0.62 0.06 0.54 0.98 0.00 0.00 173.24 174.60 1j5h s VAL 55 N -1.71 0.25 0.09 5.02 0.11 -0.50 -4.81 120.40 118.85 1j5h s VAL 55 Ca -0.09 -1.95 0.06 0.00 -2.93 0.00 0.00 61.98 57.06 1j5h s VAL 55 Cb -0.01 -2.21 -0.04 0.00 -1.53 0.00 0.00 36.38 32.59 1j5h s VAL 55 CO 0.04 -0.33 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.54 1j5h s THR 56 N -3.96 3.70 0.59 5.04 2.01 -1.26 -0.05 115.64 121.71 1j5h s THR 56 Ca 0.28 -1.11 -0.10 0.00 0.31 0.00 0.00 61.69 61.07 1j5h s THR 56 Cb 0.07 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 1j5h s THR 56 CO 0.05 0.13 0.98 0.00 -0.69 0.00 0.00 174.62 175.09 1j5h s ALA 57 N -1.25 3.16 -0.17 7.40 0.00 -0.23 -2.41 121.76 128.25 1j5h s ALA 57 Ca 0.23 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.01 1j5h s ALA 57 Cb -0.11 -2.98 0.02 0.00 0.00 0.00 0.00 23.12 20.05 1j5h s ALA 57 CO 0.16 -0.64 -0.18 0.16 0.00 0.00 0.00 175.76 175.25 1j5h s ASP 58 N -4.17 3.03 0.00 0.00 1.47 0.76 -3.21 116.67 114.54 1j5h s ASP 58 Ca 0.54 -0.61 0.00 0.00 1.18 0.00 0.00 52.55 53.65 1j5h s ASP 58 Cb -0.11 -1.40 0.00 0.00 -0.34 0.00 0.00 42.92 41.07 1j5h s ASP 58 CO 0.52 -0.02 0.00 0.00 0.68 0.00 0.00 175.17 176.35 1j5h n ALA 59 N 4.66 0.00 -0.27 2.11 0.00 -1.26 0.13 120.51 125.88 1j5h n ALA 59 Ca -0.20 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.41 1j5h n ALA 59 Cb 0.50 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.27 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 0.75 0.03 0.00 0.00 2.85 -1.26 -3.98 115.26 113.66 1j5h n ASN 60 Ca 0.00 1.36 0.00 0.00 -0.11 0.00 0.00 54.58 55.83 1j5h n ASN 60 Cb 0.00 -0.55 0.00 0.00 1.24 0.00 0.00 39.78 40.47 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 -1.34 1.06 3.72 8.20 0.00 0.35 -4.06 105.19 113.13 1j5h n GLY 61 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.45 7.15 0.76 1.61 0.01 -1.20 -0.48 113.70 120.10 1j5h s SER 62 Ca 0.00 1.38 -0.13 0.00 1.31 0.00 0.00 55.95 58.52 1j5h s SER 62 Cb 0.00 -2.47 0.05 0.00 0.21 0.00 0.00 66.02 63.81 1j5h s SER 62 CO 0.00 -0.13 1.13 0.00 0.41 0.00 0.00 173.24 174.65 1j5h s ALA 63 N 0.68 2.13 -0.28 1.44 0.00 -0.38 -0.17 121.76 125.17 1j5h s ALA 63 Ca 0.42 0.56 -0.01 0.00 0.00 0.00 0.00 51.96 52.93 1j5h s ALA 63 Cb -0.19 -3.37 0.17 0.00 0.00 0.00 0.00 23.12 19.73 1j5h s ALA 63 CO 0.22 -1.86 0.51 -1.54 0.00 0.00 0.00 175.76 173.10 1j5h s SER 64 N -2.70 -0.75 0.00 0.00 1.04 -1.01 0.22 113.70 110.49 1j5h s SER 64 Ca 0.67 0.51 0.00 0.00 0.48 0.00 0.00 55.95 57.61 1j5h s SER 64 Cb -0.22 1.74 0.00 0.00 0.10 0.00 0.00 66.02 67.64 1j5h s SER 64 CO 0.50 -0.28 0.00 1.07 0.98 0.00 0.00 173.24 175.50 1j5h n THR 65 N 5.40 0.00 -3.01 2.02 5.66 0.38 -4.59 114.28 120.14 1j5h n THR 65 Ca -0.01 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.58 1j5h n THR 65 Cb 0.51 0.00 -0.05 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 6.65 0.08 1.09 0.01 -1.26 0.10 113.70 120.37 1j5h s SER 66 Ca 0.00 0.72 -0.05 0.00 1.31 0.00 0.00 55.95 57.94 1j5h s SER 66 Cb 0.00 -2.38 -0.05 0.00 0.21 0.00 0.00 66.02 63.80 1j5h s SER 66 CO 0.00 -0.49 0.31 -0.76 0.41 0.00 0.00 173.24 172.71 1j5h s LEU 67 N 2.73 4.32 -1.02 2.44 1.43 0.72 -4.85 118.68 124.45 1j5h s LEU 67 Ca 0.30 0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 53.77 1j5h s LEU 67 Cb -0.15 -3.01 0.16 0.00 0.03 0.00 0.00 46.19 43.23 1j5h s LEU 67 CO 0.10 0.15 1.19 0.28 0.23 0.00 0.00 176.35 178.30 1j5h s THR 68 N -1.49 5.00 -0.41 5.49 -1.32 -1.26 -1.81 115.64 119.83 1j5h s THR 68 Ca 0.35 -2.14 -0.24 0.00 -1.21 0.00 0.00 61.69 58.44 1j5h s THR 68 Cb -0.13 -4.78 -0.24 0.00 -1.51 0.00 0.00 72.50 65.84 1j5h s THR 68 CO 0.22 -1.47 1.75 0.52 -2.21 0.00 0.00 174.62 173.43 1j5h n VAL 69 N 4.87 0.99 -2.38 5.08 0.31 -0.62 -4.75 118.33 121.82 1j5h n VAL 69 Ca 0.27 -0.84 -0.41 0.00 -0.01 0.00 0.00 64.34 63.35 1j5h n VAL 69 Cb 0.46 -2.15 -0.03 0.00 -0.91 0.00 0.00 33.84 31.21 1j5h n VAL 69 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1j5h s ARG 70 N 5.80 4.51 -0.01 5.55 3.03 -1.26 -0.40 118.95 136.17 1j5h s ARG 70 Ca 0.60 1.87 -0.01 0.00 2.03 0.00 0.00 55.73 60.22 1j5h s ARG 70 Cb 0.14 -3.23 -0.00 0.00 -1.03 0.00 0.00 34.95 30.83 1j5h s ARG 70 CO 0.21 -0.06 -0.01 -0.09 -1.13 0.00 0.00 175.30 174.22 1j5h h ARG 71 N 5.04 0.00 -5.96 3.89 2.43 -1.82 -3.43 114.38 114.54 1j5h h ARG 71 Ca -0.45 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.23 1j5h h ARG 71 Cb 1.21 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.73 1j5h h ARG 71 CO 0.73 0.00 1.37 0.45 -1.51 0.00 0.00 179.97 181.01 1j5h s SER 72 N -3.54 5.22 0.11 -3.80 0.15 -1.26 -1.32 113.70 109.27 1j5h s SER 72 Ca -0.01 0.37 0.04 0.00 0.70 0.00 0.00 55.95 57.04 1j5h s SER 72 Cb 0.00 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 1j5h s SER 72 CO 0.01 -2.41 -0.09 0.12 1.20 0.00 0.00 173.24 172.07 1j5h s PHE 73 N 9.26 1.09 -1.14 3.44 5.36 -0.46 -4.83 117.98 130.69 1j5h s PHE 73 Ca 0.69 -0.74 -0.10 0.00 -0.96 0.00 0.00 56.93 55.81 1j5h s PHE 73 Cb -0.13 -0.59 0.25 0.00 -0.34 0.00 0.00 43.02 42.22 1j5h s PHE 73 CO 0.21 -0.01 1.21 -1.83 -1.46 0.00 0.00 175.22 173.34 1j5h s GLU 74 N -3.30 4.19 0.51 10.12 1.03 -1.26 0.60 118.70 130.59 1j5h s GLU 74 Ca 0.10 -3.06 -0.20 0.00 0.03 0.00 0.00 54.97 51.84 1j5h s GLU 74 Cb 0.00 -4.70 -0.07 0.00 -0.80 0.00 0.00 34.13 28.57 1j5h s GLU 74 CO -0.01 -1.39 1.12 0.20 -1.33 0.00 0.00 175.26 173.86 1j5h s GLY 75 N 1.72 2.66 -0.09 -3.83 0.00 -1.26 -4.64 107.32 101.87 1j5h s GLY 75 Ca 0.34 0.82 0.04 0.00 0.00 0.00 0.00 44.72 45.92 1j5h s GLY 75 CO -0.06 1.20 -0.24 -1.36 0.00 0.00 0.00 173.10 172.64 1j5h s PHE 76 N -1.74 2.50 0.04 1.90 0.40 0.12 -1.35 117.98 119.85 1j5h s PHE 76 Ca 0.70 -0.98 -0.08 0.00 -0.60 0.00 0.00 56.93 55.96 1j5h s PHE 76 Cb -0.24 -1.67 -0.02 0.00 0.51 0.00 0.00 43.02 41.61 1j5h s PHE 76 CO 0.28 -0.39 1.03 1.28 0.70 0.00 0.00 175.22 178.12 1j5h n LEU 77 N 3.45 -0.26 0.00 -0.37 4.32 0.25 -0.86 117.00 123.52 1j5h n LEU 77 Ca -0.19 1.09 0.00 0.00 -0.02 0.00 0.00 56.01 56.89 1j5h n LEU 77 Cb 0.53 -0.38 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 1j5h n LEU 77 CO 0.28 -0.68 0.00 0.33 -1.22 0.00 0.00 177.39 176.09 1j5h n PHE 78 N -3.51 0.00 -0.02 -1.77 -0.00 -1.26 -4.19 117.46 106.70 1j5h n PHE 78 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.30 1j5h n PHE 78 Cb 0.06 0.00 -0.14 0.00 -0.00 0.00 0.00 39.48 39.41 1j5h n PHE 78 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1j5h n ASP 79 N 0.00 1.51 0.00 -2.13 8.00 -1.26 -4.95 116.55 117.71 1j5h n ASP 79 Ca 0.00 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1j5h n ASP 79 Cb 0.00 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1j5h n ASP 79 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j5h n GLY 80 N 1.83 0.24 3.78 0.44 0.00 -1.26 -5.15 105.19 105.07 1j5h n GLY 80 Ca -0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 1j5h n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5h s THR 81 N 0.00 3.42 0.02 2.61 2.01 -1.26 -4.86 115.64 117.59 1j5h s THR 81 Ca 0.00 0.57 -0.26 0.00 0.31 0.00 0.00 61.69 62.31 1j5h s THR 81 Cb 0.00 -3.10 0.06 0.00 0.01 0.00 0.00 72.50 69.47 1j5h s THR 81 CO 0.00 -0.50 0.59 0.00 -0.69 0.00 0.00 174.62 174.02 1j5h s ARG 82 N -4.48 1.07 -0.15 4.92 1.70 -1.26 0.85 118.95 121.60 1j5h s ARG 82 Ca 0.64 -0.06 -0.19 0.00 -0.47 0.00 0.00 55.73 55.64 1j5h s ARG 82 Cb -0.18 0.50 -0.17 0.00 -0.57 0.00 0.00 34.95 34.53 1j5h s ARG 82 CO 0.48 -0.38 0.38 -1.49 -1.08 0.00 0.00 175.30 173.21 1j5h h TRP 83 N 2.78 0.00 0.00 5.89 4.06 -1.55 -3.48 115.95 123.66 1j5h h TRP 83 Ca -0.30 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.65 1j5h h TRP 83 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.36 1j5h h TRP 83 CO 0.35 0.83 0.00 0.41 -3.56 0.00 0.00 178.44 176.47 1j5h n GLY 84 N 1.60 -1.89 3.59 1.49 0.00 -1.25 -4.77 105.19 103.96 1j5h n GLY 84 Ca -0.13 -1.26 -0.26 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.39 -0.23 -2.89 2.61 5.66 -1.17 -4.78 114.28 113.09 1j5h n THR 85 Ca 0.00 -0.11 -0.40 0.00 -3.05 0.00 0.00 64.05 60.49 1j5h n THR 85 Cb 0.00 -0.44 -0.05 0.00 -1.55 0.00 0.00 70.33 68.28 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 -2.98 4.47 -0.60 1.08 0.11 0.20 -4.71 120.40 117.98 1j5h s VAL 86 Ca 0.37 1.82 -0.27 0.00 -2.93 0.00 0.00 61.98 60.96 1j5h s VAL 86 Cb -0.21 -4.20 -0.00 0.00 -1.53 0.00 0.00 36.38 30.44 1j5h s VAL 86 CO 0.68 0.42 1.61 -1.81 -3.33 0.00 0.00 175.10 172.67 1j5h s ASP 87 N -0.55 5.76 0.34 3.54 -0.00 -1.26 -1.36 116.67 123.14 1j5h s ASP 87 Ca 0.40 0.25 0.12 0.00 -0.00 0.00 0.00 52.55 53.32 1j5h s ASP 87 Cb -0.23 -2.54 0.94 0.00 -0.00 0.00 0.00 42.92 41.10 1j5h s ASP 87 CO 0.27 -2.01 1.75 0.00 -0.00 0.00 0.00 175.17 175.17 1j5h h THR 89 N 0.54 1.12 0.00 0.00 1.03 -1.87 2.18 112.91 115.91 1j5h h THR 89 Ca 0.62 -0.57 -0.13 0.00 -0.01 0.00 0.00 66.41 66.32 1j5h h THR 89 Cb 1.29 1.28 -0.02 0.00 -1.07 0.00 0.00 68.15 69.63 1j5h h THR 89 CO -0.41 0.17 -0.63 0.74 -0.01 0.00 0.00 175.52 175.38 1j5h h THR 90 N 0.03 1.40 -0.01 0.00 2.02 0.19 -3.11 112.91 113.43 1j5h h THR 90 Ca 0.00 -2.19 -0.00 0.00 0.77 0.00 0.00 66.41 64.99 1j5h h THR 90 Cb 0.29 2.20 -0.00 0.00 -1.74 0.00 0.00 68.15 68.89 1j5h h THR 90 CO 0.02 0.62 -0.23 0.00 0.37 0.00 0.00 175.52 176.30 1j5h n ALA 91 N -2.40 2.96 -3.70 6.16 0.00 -0.52 -4.98 120.51 118.03 1j5h n ALA 91 Ca -0.01 -2.94 -0.22 0.00 0.00 0.00 0.00 53.44 50.27 1j5h n ALA 91 Cb 0.64 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.27 -1.72 -0.62 0.00 0.00 0.68 -4.15 120.51 113.43 1j5h n ALA 92 Ca 0.18 -0.28 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 1j5h n ALA 92 Cb 0.68 -0.86 0.12 0.00 0.00 0.00 0.00 19.45 19.38 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 -3.22 0.95 -0.24 0.00 0.00 -0.33 -1.65 119.66 115.17 1j5h s GLN 94 Ca 0.28 -1.18 -0.01 0.00 -0.00 0.00 0.00 55.36 54.45 1j5h s GLN 94 Cb -0.05 0.32 0.07 0.00 0.00 0.00 0.00 33.01 33.35 1j5h s GLN 94 CO 0.23 -0.31 0.01 0.08 0.00 0.00 0.00 175.29 175.30 1j5h s VAL 95 N -3.95 1.11 0.00 3.63 1.01 -0.74 -1.21 120.40 120.26 1j5h s VAL 95 Ca 0.14 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1j5h s VAL 95 Cb 0.05 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.88 1j5h s VAL 95 CO -0.04 -0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.42 1j5h n GLY 96 N 4.81 6.56 3.60 4.51 0.00 -1.20 -4.48 105.19 118.99 1j5h n GLY 96 Ca -0.09 -2.05 -0.26 0.00 0.00 0.00 0.00 46.02 43.63 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 2.85 -0.05 0.99 2.01 -1.26 -1.41 118.68 121.81 1j5h s LEU 97 Ca 0.00 -1.20 -0.12 0.00 0.01 0.00 0.00 54.13 52.82 1j5h s LEU 97 Cb 0.00 -1.07 0.02 0.00 0.01 0.00 0.00 46.19 45.15 1j5h s LEU 97 CO 0.00 -0.30 0.28 -0.44 1.01 0.00 0.00 176.35 176.90 1j5h s SER 98 N -3.68 -0.20 0.53 2.29 0.01 0.26 -4.54 113.70 108.38 1j5h s SER 98 Ca 0.34 0.23 0.05 0.00 1.31 0.00 0.00 55.95 57.89 1j5h s SER 98 Cb 0.04 0.41 0.03 0.00 0.21 0.00 0.00 66.02 66.71 1j5h s SER 98 CO 0.18 -0.31 0.36 1.51 0.41 0.00 0.00 173.24 175.39 1j5h s ASP 99 N -0.79 4.59 -0.23 2.44 1.47 -1.26 -0.19 116.67 122.70 1j5h s ASP 99 Ca -0.09 -1.25 0.01 0.00 1.18 0.00 0.00 52.55 52.40 1j5h s ASP 99 Cb -0.04 0.35 0.30 0.00 -0.34 0.00 0.00 42.92 43.19 1j5h s ASP 99 CO 0.02 -1.04 1.54 0.00 0.68 0.00 0.00 175.17 176.37 1j5h n ALA 100 N -1.69 4.18 0.00 2.11 0.00 -1.26 -2.71 120.51 121.14 1j5h n ALA 100 Ca -0.03 -1.44 0.00 0.00 0.00 0.00 0.00 53.44 51.98 1j5h n ALA 100 Cb 0.64 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.18 0.50 -0.06 0.00 0.00 -1.26 -4.97 120.51 114.53 1j5h n ALA 101 Ca 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.63 1j5h n ALA 101 Cb 0.98 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.35 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 -1.97 -3.49 103.07 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 1.16 0.00 0.00 0.00 176.54 177.70 1j5h n ASN 103 N -4.66 0.00 0.00 0.19 0.23 -1.10 -4.87 115.26 105.04 1j5h n ASN 103 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.98 1j5h n ASN 103 Cb 0.32 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.02 1j5h n ASN 103 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1j5h n GLY 104 N 0.00 -1.67 3.80 4.83 0.00 -1.26 -4.80 105.19 106.08 1j5h n GLY 104 Ca 0.00 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 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 0.00 2.08 0.00 1.61 0.04 -1.26 -4.90 135.00 132.57 1j5h s PRO 105 Ca 0.00 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.68 1j5h s PRO 105 Cb 0.00 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1j5h s PRO 105 CO 0.00 -1.62 0.00 -1.91 0.04 0.00 0.00 177.00 173.51 1j5h n GLU 106 N -3.44 0.00 -2.62 4.56 4.07 -1.26 -5.02 120.64 116.93 1j5h n GLU 106 Ca 0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 1j5h n GLU 106 Cb 0.56 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.94 1j5h n GLU 106 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1j5h n GLY 107 N 1.84 -0.06 1.00 8.31 0.00 -1.26 -5.04 105.19 109.97 1j5h n GLY 107 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 9.00 -0.96 -2.04 1.61 0.31 -1.26 -3.08 118.33 121.91 1j5h n VAL 108 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1j5h n VAL 108 Cb 0.00 -2.47 -0.03 0.00 -0.91 0.00 0.00 33.84 30.43 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 -1.78 2.53 -0.28 3.52 0.00 -1.26 -1.78 121.76 122.70 1j5h s ALA 109 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 51.96 51.63 1j5h s ALA 109 Cb 0.00 -4.15 -0.04 0.00 0.00 0.00 0.00 23.12 18.93 1j5h s ALA 109 CO 0.00 -3.24 0.24 0.42 0.00 0.00 0.00 175.76 173.18 1j5h s ILE 110 N 7.90 5.27 -0.71 0.00 1.01 -0.66 -4.64 121.20 129.38 1j5h s ILE 110 Ca 0.73 0.23 -0.26 0.00 0.00 0.00 0.00 60.65 61.35 1j5h s ILE 110 Cb -0.17 -3.59 0.04 0.00 0.01 0.00 0.00 42.46 38.75 1j5h s ILE 110 CO 0.27 0.20 1.18 -0.55 0.00 0.00 0.00 174.94 176.04 1j5h s SER 111 N 1.73 6.17 -0.00 3.58 0.15 -0.79 -4.35 113.70 120.19 1j5h s SER 111 Ca 0.09 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1j5h s SER 111 Cb -0.16 -2.52 0.02 0.00 -1.71 0.00 0.00 66.02 61.65 1j5h s SER 111 CO 0.11 -1.71 0.88 0.49 1.20 0.00 0.00 173.24 174.21 1j5h n PHE 112 N 8.85 0.03 0.00 3.44 3.01 -1.26 0.14 117.46 131.66 1j5h n PHE 112 Ca 0.01 -0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1j5h n PHE 112 Cb 0.48 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 1j5h n PHE 112 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06