#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 -0.19 -1.00 0.00 0.00 -1.26 -4.40 120.51 113.66 1j5h n ALA 2 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 53.44 54.28 1j5h n ALA 2 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 -5.24 1.12 0.00 0.00 -0.04 -1.26 -5.11 135.00 124.47 1j5h n PRO 3 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1j5h n PRO 3 Cb 0.32 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.78 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 -0.24 0.00 -2.98 0.52 5.66 0.28 -4.71 114.28 112.82 1j5h n THR 4 Ca 0.00 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.82 1j5h n THR 4 Cb 0.00 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 68.80 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 4.49 0.07 1.79 0.00 -1.26 0.69 121.76 125.54 1j5h s ALA 5 Ca 0.00 -1.70 -0.18 0.00 0.00 0.00 0.00 51.96 50.08 1j5h s ALA 5 Cb 0.00 -1.65 0.04 0.00 0.00 0.00 0.00 23.12 21.51 1j5h s ALA 5 CO 0.00 -0.41 0.43 0.95 0.00 0.00 0.00 175.76 176.74 1j5h s THR 6 N -2.43 0.05 -0.14 0.00 -4.23 0.36 -4.58 115.64 104.67 1j5h s THR 6 Ca 0.56 -0.44 -0.04 0.00 -1.18 0.00 0.00 61.69 60.59 1j5h s THR 6 Cb -0.09 -1.02 -0.03 0.00 1.34 0.00 0.00 72.50 72.69 1j5h s THR 6 CO 0.34 -0.24 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.48 1j5h s VAL 7 N -2.90 4.14 0.08 2.29 1.01 -1.26 -1.65 120.40 122.11 1j5h s VAL 7 Ca -0.03 -0.28 -0.16 0.00 0.00 0.00 0.00 61.98 61.51 1j5h s VAL 7 Cb 0.00 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1j5h s VAL 7 CO -0.05 0.52 1.02 0.41 0.00 0.00 0.00 175.10 176.99 1j5h n THR 8 N 3.16 -0.36 -0.05 3.92 -1.04 -0.90 -4.44 114.28 114.58 1j5h n THR 8 Ca -0.17 1.59 0.00 0.00 -2.04 0.00 0.00 64.05 63.42 1j5h n THR 8 Cb 0.53 -1.99 0.00 0.00 -1.82 0.00 0.00 70.33 67.05 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 -4.32 0.91 0.00 -2.82 -0.04 -1.26 -5.03 135.00 122.44 1j5h n PRO 9 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1j5h n PRO 9 Cb 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.60 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 -0.19 0.00 0.00 3.54 2.88 -1.26 -5.00 113.62 113.59 1j5h n SER 10 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1j5h n SER 10 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -2.88 -3.46 3.41 -1.20 -1.87 113.62 107.63 1j5h n SER 11 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.40 1j5h n SER 11 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 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 -0.03 -0.41 0.00 5.00 0.00 0.45 -4.86 105.19 105.35 1j5h n GLY 12 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.89 0.00 -3.56 0.99 4.77 -0.76 -4.51 117.00 110.04 1j5h n LEU 13 Ca -0.08 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.79 1j5h n LEU 13 Cb 0.60 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 1j5h n LEU 13 CO 0.47 0.00 0.24 -0.55 -1.33 0.00 0.00 177.39 176.22 1j5h s SER 14 N -1.00 -0.36 -0.56 -1.43 0.15 -1.26 -1.78 113.70 107.45 1j5h s SER 14 Ca 0.00 -0.17 -0.26 0.00 0.70 0.00 0.00 55.95 56.22 1j5h s SER 14 Cb 0.00 0.51 -0.05 0.00 -1.71 0.00 0.00 66.02 64.77 1j5h s SER 14 CO 0.00 -0.87 2.16 1.51 1.20 0.00 0.00 173.24 177.23 1j5h s ASP 15 N -2.70 4.80 0.00 5.45 1.47 -1.26 -0.93 116.67 123.51 1j5h s ASP 15 Ca 0.01 0.68 0.00 0.00 1.18 0.00 0.00 52.55 54.43 1j5h s ASP 15 Cb 0.01 -2.52 0.00 0.00 -0.34 0.00 0.00 42.92 40.07 1j5h s ASP 15 CO -0.11 -2.69 0.00 0.61 0.68 0.00 0.00 175.17 173.66 1j5h n GLY 16 N 5.91 1.77 3.55 2.12 0.00 -1.12 -4.60 105.19 112.83 1j5h n GLY 16 Ca 0.30 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 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 3.45 -0.62 2.61 2.01 -0.11 -4.57 115.64 116.42 1j5h s THR 17 Ca 0.00 0.02 -0.27 0.00 0.31 0.00 0.00 61.69 61.75 1j5h s THR 17 Cb 0.00 -4.13 0.03 0.00 0.01 0.00 0.00 72.50 68.42 1j5h s THR 17 CO 0.00 -1.08 1.17 -0.69 -0.69 0.00 0.00 174.62 173.33 1j5h s VAL 18 N 8.77 4.00 0.34 3.82 1.01 -1.25 -1.94 120.40 135.15 1j5h s VAL 18 Ca 0.63 0.63 0.04 0.00 0.00 0.00 0.00 61.98 63.28 1j5h s VAL 18 Cb -0.10 -4.75 -0.06 0.00 0.00 0.00 0.00 36.38 31.47 1j5h s VAL 18 CO 0.13 -1.45 0.06 0.68 0.00 0.00 0.00 175.10 174.52 1j5h s VAL 19 N 4.98 1.17 0.36 2.92 -7.23 -0.82 -4.85 120.40 116.94 1j5h s VAL 19 Ca 0.38 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.27 1j5h s VAL 19 Cb -0.09 -2.74 -0.11 0.00 0.56 0.00 0.00 36.38 34.00 1j5h s VAL 19 CO 0.21 0.00 1.52 -0.54 -0.31 0.00 0.00 175.10 175.99 1j5h s LYS 20 N -3.86 4.10 -0.01 4.82 1.02 -1.26 -1.10 119.74 123.44 1j5h s LYS 20 Ca 0.34 2.60 -0.03 0.00 0.02 0.00 0.00 55.97 58.90 1j5h s LYS 20 Cb 0.08 -2.97 0.00 0.00 -0.52 0.00 0.00 37.83 34.42 1j5h s LYS 20 CO 0.15 -0.58 0.07 0.08 -0.92 0.00 0.00 175.35 174.15 1j5h s VAL 21 N -0.87 0.04 0.06 3.17 1.01 0.29 -2.11 120.40 122.01 1j5h s VAL 21 Ca 0.55 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 62.13 1j5h s VAL 21 Cb -0.47 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 35.69 1j5h s VAL 21 CO 0.60 -0.18 0.18 0.00 0.00 0.00 0.00 175.10 175.70 1j5h s ALA 22 N -0.55 -0.23 0.00 5.51 0.00 -0.66 -0.14 121.76 125.69 1j5h s ALA 22 Ca -0.06 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1j5h s ALA 22 Cb -0.04 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.46 1j5h s ALA 22 CO 0.00 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1j5h n GLY 23 N 0.29 0.73 0.00 0.00 0.00 0.30 -0.48 105.19 106.02 1j5h n GLY 23 Ca -0.17 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.74 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 0.97 0.00 0.38 4.61 0.00 0.22 -1.23 120.51 125.46 1j5h n ALA 24 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1j5h n ALA 24 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.34 3.40 0.00 0.00 -1.26 0.98 105.19 107.97 1j5h n GLY 25 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.12 -4.53 0.00 0.99 7.94 -0.96 -4.45 117.00 114.87 1j5h n LEU 26 Ca 0.04 -0.51 0.00 0.00 -1.11 0.00 0.00 56.01 54.43 1j5h n LEU 26 Cb 0.04 -2.57 0.00 0.00 0.53 0.00 0.00 43.42 41.41 1j5h n LEU 26 CO 0.04 -0.39 0.00 1.67 -1.11 0.00 0.00 177.39 177.61 1j5h n GLN 27 N -2.31 0.00 0.00 1.96 -0.06 0.80 -4.64 117.38 113.13 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 0.59 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.77 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 -4.27 1.69 0.00 -1.26 -3.85 120.51 109.83 1j5h n ALA 28 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 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 -0.35 3.56 0.00 0.00 -1.22 -4.89 105.19 102.28 1j5h n GLY 29 Ca 0.00 0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.54 3.11 0.59 2.61 2.01 -1.26 -4.71 115.64 114.44 1j5h s THR 30 Ca 0.55 -1.79 -0.19 0.00 0.31 0.00 0.00 61.69 60.56 1j5h s THR 30 Cb -0.30 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 1j5h s THR 30 CO 0.96 -0.18 1.13 0.00 -0.69 0.00 0.00 174.62 175.84 1j5h n ALA 31 N -0.15 0.71 -3.07 7.40 0.00 -1.26 -1.23 120.51 122.91 1j5h n ALA 31 Ca -0.10 0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.25 1j5h n ALA 31 Cb 0.56 -2.21 -0.04 0.00 0.00 0.00 0.00 19.45 17.76 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 -1.42 -0.45 0.20 0.00 2.02 0.17 -4.68 117.35 113.20 1j5h s TYR 32 Ca 0.76 -1.26 -0.33 0.00 -0.37 0.00 0.00 57.07 55.87 1j5h s TYR 32 Cb -0.42 -0.22 -0.14 0.00 -0.40 0.00 0.00 41.96 40.78 1j5h s TYR 32 CO 0.47 -1.07 1.48 -3.47 -1.57 0.00 0.00 175.55 171.38 1j5h n ASP 33 N 3.06 2.84 -4.80 2.29 4.64 0.25 -1.59 116.55 123.25 1j5h n ASP 33 Ca 0.22 1.12 -0.35 0.00 -1.38 0.00 0.00 54.79 54.40 1j5h n ASP 33 Cb 0.52 -1.42 -0.05 0.00 -1.04 0.00 0.00 41.12 39.14 1j5h n ASP 33 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1j5h s VAL 34 N 0.38 3.93 0.00 5.18 1.01 0.13 0.66 120.40 131.68 1j5h s VAL 34 Ca 0.73 1.30 0.00 0.00 0.00 0.00 0.00 61.98 64.01 1j5h s VAL 34 Cb -0.68 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1j5h s VAL 34 CO 0.44 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1j5h n GLY 35 N -0.12 4.70 0.00 4.51 0.00 -0.34 -4.17 105.19 109.76 1j5h n GLY 35 Ca 0.07 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1j5h n GLY 35 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j5h n GLN 36 N 0.00 0.00 -3.89 1.61 6.02 -1.22 -3.96 117.38 115.94 1j5h n GLN 36 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.74 1j5h n GLN 36 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 1j5h n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1j5h s ALA 38 N -2.70 2.06 -0.50 0.00 0.00 0.43 -0.78 121.76 120.27 1j5h s ALA 38 Ca 0.37 -2.42 -0.28 0.00 0.00 0.00 0.00 51.96 49.63 1j5h s ALA 38 Cb -0.01 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.26 1j5h s ALA 38 CO 0.22 -1.98 1.57 -0.46 0.00 0.00 0.00 175.76 175.11 1j5h s TRP 39 N 0.62 2.10 -0.08 0.00 -0.00 -1.26 -1.70 118.94 118.62 1j5h s TRP 39 Ca 0.16 0.59 0.12 0.00 -0.00 0.00 0.00 56.10 56.97 1j5h s TRP 39 Cb -0.23 -4.27 -0.17 0.00 -0.00 0.00 0.00 33.47 28.79 1j5h s TRP 39 CO -0.04 -2.22 0.15 0.28 -0.00 0.00 0.00 176.95 175.11 1j5h n VAL 40 N 7.06 0.47 -3.73 5.86 0.31 -0.06 -4.42 118.33 123.82 1j5h n VAL 40 Ca 0.16 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1j5h n VAL 40 Cb 0.49 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 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 -2.23 -0.42 0.12 4.52 4.64 -1.19 -4.90 116.55 117.09 1j5h n ASP 41 Ca -0.12 -1.16 -0.13 0.00 -1.38 0.00 0.00 54.79 51.99 1j5h n ASP 41 Cb 0.65 0.66 -0.06 0.00 -1.04 0.00 0.00 41.12 41.33 1j5h n ASP 41 CO 0.00 0.00 0.00 0.74 -0.82 0.00 0.00 177.20 177.12 1j5h h THR 42 N 1.28 0.29 -0.49 5.18 2.02 -2.01 -2.91 112.91 116.27 1j5h h THR 42 Ca -0.07 0.00 -0.30 0.00 0.77 0.00 0.00 66.41 66.81 1j5h h THR 42 Cb 0.34 0.29 -0.18 0.00 -1.74 0.00 0.00 68.15 66.85 1j5h h THR 42 CO 0.10 0.00 -0.10 0.61 0.37 0.00 0.00 175.52 176.49 1j5h n GLY 43 N -1.43 5.25 2.44 2.16 0.00 -1.26 -4.58 105.19 107.77 1j5h n GLY 43 Ca -0.07 -1.57 -0.17 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.04 1.93 -3.70 1.61 0.31 -1.10 -4.99 118.33 111.35 1j5h n VAL 44 Ca 0.39 -3.91 -0.39 0.00 -0.01 0.00 0.00 64.34 60.43 1j5h n VAL 44 Cb 1.00 -0.30 -0.12 0.00 -0.91 0.00 0.00 33.84 33.51 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 -3.55 4.36 -0.41 7.52 0.20 -1.26 -0.88 118.68 124.66 1j5h s LEU 45 Ca 0.41 -1.01 -0.16 0.00 0.69 0.00 0.00 54.13 54.05 1j5h s LEU 45 Cb 0.40 -1.92 0.02 0.00 -0.43 0.00 0.00 46.19 44.25 1j5h s LEU 45 CO -0.04 -0.32 0.39 0.00 -0.29 0.00 0.00 176.35 176.09 1j5h s ALA 46 N 1.47 3.45 0.26 5.97 0.00 -0.69 -4.36 121.76 127.85 1j5h s ALA 46 Ca 0.00 -1.56 -0.21 0.00 0.00 0.00 0.00 51.96 50.19 1j5h s ALA 46 Cb -0.19 -2.99 -0.09 0.00 0.00 0.00 0.00 23.12 19.85 1j5h s ALA 46 CO 0.04 -1.52 0.78 0.00 0.00 0.00 0.00 175.76 175.07 1j5h s ASN 48 N -1.68 5.12 0.00 0.00 2.47 0.27 -1.32 114.94 119.80 1j5h s ASN 48 Ca 0.46 -3.82 0.00 0.00 0.42 0.00 0.00 52.86 49.91 1j5h s ASN 48 Cb -0.17 -1.71 0.00 0.00 -1.45 0.00 0.00 41.25 37.93 1j5h s ASN 48 CO 0.21 -0.11 0.49 -0.81 -3.72 0.00 0.00 177.10 173.17 1j5h n PRO 49 N 2.06 0.75 -0.01 0.43 -0.04 -1.26 -2.02 135.00 134.90 1j5h n PRO 49 Ca 0.20 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.68 1j5h n PRO 49 Cb 0.35 -1.29 0.02 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.29 2.40 -0.46 0.55 0.00 -1.26 -4.67 120.51 117.35 1j5h n ALA 50 Ca 0.00 -0.64 0.37 0.00 0.00 0.00 0.00 53.44 53.17 1j5h n ALA 50 Cb 0.25 -0.14 0.61 0.00 0.00 0.00 0.00 19.45 20.17 1j5h n ALA 50 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1j5h n ASP 51 N 0.15 0.12 0.00 0.00 -0.08 -0.86 -4.66 116.55 111.22 1j5h n ASP 51 Ca 0.03 1.05 0.00 0.00 -1.51 0.00 0.00 54.79 54.36 1j5h n ASP 51 Cb 0.15 -0.52 0.00 0.00 2.34 0.00 0.00 41.12 43.09 1j5h n ASP 51 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1j5h n PHE 52 N -4.11 0.00 -1.05 -0.67 7.35 -1.26 -4.93 117.46 112.79 1j5h n PHE 52 Ca 0.35 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.69 1j5h n PHE 52 Cb 1.44 0.00 0.02 0.00 0.35 0.00 0.00 39.48 41.30 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 2.90 -4.51 -3.64 -2.13 7.64 -1.26 -4.63 113.62 107.99 1j5h n SER 53 Ca 0.00 0.39 -0.15 0.00 1.01 0.00 0.00 58.87 60.12 1j5h n SER 53 Cb 0.00 -0.75 -0.08 0.00 -1.01 0.00 0.00 64.21 62.37 1j5h n SER 53 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1j5h s SER 54 N -0.93 -0.53 0.18 6.43 0.15 -1.26 0.21 113.70 117.95 1j5h s SER 54 Ca 0.45 0.77 -0.02 0.00 0.70 0.00 0.00 55.95 57.85 1j5h s SER 54 Cb -0.32 0.77 -0.04 0.00 -1.71 0.00 0.00 66.02 64.72 1j5h s SER 54 CO 0.69 -0.39 0.13 0.54 1.20 0.00 0.00 173.24 175.41 1j5h s VAL 55 N -0.57 0.03 0.16 4.45 0.11 -0.62 -4.83 120.40 119.13 1j5h s VAL 55 Ca -0.07 -1.91 0.09 0.00 -2.93 0.00 0.00 61.98 57.16 1j5h s VAL 55 Cb -0.03 -2.31 -0.04 0.00 -1.53 0.00 0.00 36.38 32.47 1j5h s VAL 55 CO 0.05 -0.16 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.63 1j5h s THR 56 N -4.11 3.01 0.77 5.04 2.01 -1.26 0.45 115.64 121.55 1j5h s THR 56 Ca 0.32 -1.62 -0.12 0.00 0.31 0.00 0.00 61.69 60.59 1j5h s THR 56 Cb 0.07 -2.45 0.05 0.00 0.01 0.00 0.00 72.50 70.18 1j5h s THR 56 CO 0.08 -0.03 1.12 0.00 -0.69 0.00 0.00 174.62 175.11 1j5h s ALA 57 N -1.49 2.62 -0.13 7.40 0.00 -0.37 -2.71 121.76 127.08 1j5h s ALA 57 Ca 0.22 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1j5h s ALA 57 Cb -0.09 -3.02 0.02 0.00 0.00 0.00 0.00 23.12 20.03 1j5h s ALA 57 CO 0.13 -1.49 -0.11 0.16 0.00 0.00 0.00 175.76 174.44 1j5h s ASP 58 N -4.32 2.46 0.00 0.00 1.47 0.93 -3.46 116.67 113.75 1j5h s ASP 58 Ca 0.60 -0.41 0.00 0.00 1.18 0.00 0.00 52.55 53.93 1j5h s ASP 58 Cb -0.12 -1.03 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 4.84 0.00 -0.27 2.11 0.00 -1.26 0.12 120.51 126.05 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 0.50 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.32 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 0.74 0.11 0.00 0.00 4.13 -1.26 -3.99 115.26 114.99 1j5h n ASN 60 Ca 0.00 1.38 0.00 0.00 1.68 0.00 0.00 54.58 57.64 1j5h n ASN 60 Cb 0.00 -0.59 0.00 0.00 -1.54 0.00 0.00 39.78 37.65 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 -1.31 1.39 3.73 7.41 0.00 0.32 -4.04 105.19 112.70 1j5h n GLY 61 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.89 6.87 0.96 1.61 0.15 -1.20 -0.14 113.70 120.06 1j5h s SER 62 Ca 0.00 1.04 -0.11 0.00 0.70 0.00 0.00 55.95 57.58 1j5h s SER 62 Cb 0.00 -2.35 0.17 0.00 -1.71 0.00 0.00 66.02 62.13 1j5h s SER 62 CO 0.00 -0.01 1.09 0.00 1.20 0.00 0.00 173.24 175.53 1j5h s ALA 63 N 0.43 1.08 -0.30 5.45 0.00 -0.36 -0.05 121.76 128.01 1j5h s ALA 63 Ca 0.31 0.18 -0.01 0.00 0.00 0.00 0.00 51.96 52.44 1j5h s ALA 63 Cb -0.17 -3.30 0.19 0.00 0.00 0.00 0.00 23.12 19.84 1j5h s ALA 63 CO 0.15 -2.82 0.60 -1.54 0.00 0.00 0.00 175.76 172.16 1j5h s SER 64 N -2.94 -1.40 0.00 0.00 1.04 -1.10 -0.54 113.70 108.76 1j5h s SER 64 Ca 0.66 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.91 1j5h s SER 64 Cb -0.21 2.16 0.00 0.00 0.10 0.00 0.00 66.02 68.07 1j5h s SER 64 CO 0.59 -0.26 0.00 1.07 0.98 0.00 0.00 173.24 175.62 1j5h n THR 65 N 5.43 0.00 -3.07 2.02 5.66 0.80 -4.65 114.28 120.47 1j5h n THR 65 Ca -0.01 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.59 1j5h n THR 65 Cb 0.51 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.24 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 6.68 0.02 1.09 1.04 -1.26 0.11 113.70 121.38 1j5h s SER 66 Ca 0.00 0.83 0.03 0.00 0.48 0.00 0.00 55.95 57.29 1j5h s SER 66 Cb 0.00 -2.36 -0.04 0.00 0.10 0.00 0.00 66.02 63.72 1j5h s SER 66 CO 0.00 -0.35 -0.03 -0.76 0.98 0.00 0.00 173.24 173.08 1j5h s LEU 67 N 2.26 3.33 -0.59 2.42 1.02 -0.25 -4.83 118.68 122.04 1j5h s LEU 67 Ca 0.29 -0.11 -0.21 0.00 0.02 0.00 0.00 54.13 54.12 1j5h s LEU 67 Cb -0.16 -1.95 0.08 0.00 0.02 0.00 0.00 46.19 44.18 1j5h s LEU 67 CO 0.09 0.26 0.81 0.28 0.02 0.00 0.00 176.35 177.81 1j5h s THR 68 N -1.09 4.60 -1.17 5.49 -1.32 -1.26 -1.94 115.64 118.96 1j5h s THR 68 Ca 0.19 -0.52 -0.10 0.00 -1.21 0.00 0.00 61.69 60.05 1j5h s THR 68 Cb -0.11 -4.53 -0.07 0.00 -1.51 0.00 0.00 72.50 66.28 1j5h s THR 68 CO 0.10 -1.18 2.35 0.52 -2.21 0.00 0.00 174.62 174.20 1j5h n VAL 69 N 5.77 3.02 -1.60 5.08 0.31 -0.82 -4.76 118.33 125.33 1j5h n VAL 69 Ca -0.06 -1.98 -0.46 0.00 -0.01 0.00 0.00 64.34 61.83 1j5h n VAL 69 Cb 0.45 -2.36 -0.03 0.00 -0.91 0.00 0.00 33.84 30.99 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 4.65 1.39 0.00 5.55 1.85 -1.26 -2.79 116.66 126.05 1j5h n ARG 70 Ca 0.56 0.49 0.00 0.00 -1.00 0.00 0.00 57.85 57.91 1j5h n ARG 70 Cb 0.23 -1.95 0.00 0.00 -1.05 0.00 0.00 32.46 29.69 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 1.27 0.00 -1.57 2.89 0.63 -1.26 -4.63 116.66 113.99 1j5h n ARG 71 Ca 0.12 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.91 1j5h n ARG 71 Cb 0.29 -0.13 -0.10 0.00 0.45 0.00 0.00 32.46 32.98 1j5h n ARG 71 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1j5h n SER 72 N -2.24 1.53 -2.95 6.15 3.41 -1.26 -1.41 113.62 116.85 1j5h n SER 72 Ca 0.00 -2.00 0.02 0.00 -0.26 0.00 0.00 58.87 56.64 1j5h n SER 72 Cb 0.00 -1.69 0.01 0.00 -0.26 0.00 0.00 64.21 62.27 1j5h n SER 72 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1j5h n PHE 73 N 19.33 -0.21 -3.55 7.33 -1.74 0.23 -4.68 117.46 134.17 1j5h n PHE 73 Ca 0.44 -0.44 -0.11 0.00 -0.56 0.00 0.00 57.45 56.78 1j5h n PHE 73 Cb 0.45 0.19 -0.02 0.00 1.52 0.00 0.00 39.48 41.62 1j5h n PHE 73 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1j5h s GLU 74 N -2.01 1.40 0.00 3.97 2.02 -0.41 -1.57 118.70 122.10 1j5h s GLU 74 Ca 0.21 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.57 1j5h s GLU 74 Cb -0.00 0.58 0.00 0.00 0.10 0.00 0.00 34.13 34.81 1j5h s GLU 74 CO -0.01 -0.62 0.00 0.41 0.02 0.00 0.00 175.26 175.07 1j5h n GLY 75 N -0.39 6.72 3.82 -1.39 0.00 -1.26 -4.49 105.19 108.21 1j5h n GLY 75 Ca -0.13 -1.78 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 1j5h n GLY 75 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j5h s PHE 76 N 0.26 3.43 0.12 1.61 0.40 -0.44 -1.66 117.98 121.70 1j5h s PHE 76 Ca 0.00 0.36 -0.11 0.00 -0.60 0.00 0.00 56.93 56.57 1j5h s PHE 76 Cb 0.00 -1.84 -0.12 0.00 0.51 0.00 0.00 43.02 41.57 1j5h s PHE 76 CO 0.00 0.63 1.35 -0.07 0.70 0.00 0.00 175.22 177.82 1j5h h LEU 77 N 4.63 0.93 0.00 -0.37 3.38 -1.52 0.19 115.31 122.55 1j5h h LEU 77 Ca -0.52 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 56.88 1j5h h LEU 77 Cb 1.20 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1j5h h LEU 77 CO 0.60 1.37 0.00 0.33 0.09 0.00 0.00 178.44 180.83 1j5h n PHE 78 N -3.95 0.00 -1.84 1.13 7.35 -1.26 -4.72 117.46 114.17 1j5h n PHE 78 Ca -0.06 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.61 1j5h n PHE 78 Cb 0.71 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.51 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 -0.32 -0.96 -2.13 -0.08 -1.26 -4.94 116.55 106.86 1j5h n ASP 79 Ca 0.00 -1.13 -0.01 0.00 -1.51 0.00 0.00 54.79 52.14 1j5h n ASP 79 Cb 0.00 0.10 -0.00 0.00 2.34 0.00 0.00 41.12 43.56 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 -0.37 1.10 0.27 0.00 -1.26 -5.15 105.19 99.78 1j5h n GLY 80 Ca -0.09 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.06 1j5h n GLY 80 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1j5h n THR 81 N -0.09 0.00 -3.77 2.61 5.66 -1.26 -4.79 114.28 112.64 1j5h n THR 81 Ca -0.04 0.18 -0.21 0.00 -3.05 0.00 0.00 64.05 60.92 1j5h n THR 81 Cb 0.41 -0.55 -0.01 0.00 -1.55 0.00 0.00 70.33 68.63 1j5h n THR 81 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1j5h s ARG 82 N -2.41 3.36 -0.18 1.09 1.70 -1.26 -1.68 118.95 119.57 1j5h s ARG 82 Ca 0.00 -0.77 -0.17 0.00 -0.47 0.00 0.00 55.73 54.32 1j5h s ARG 82 Cb 0.00 -2.84 -0.14 0.00 -0.57 0.00 0.00 34.95 31.40 1j5h s ARG 82 CO 0.00 0.30 0.14 -1.49 -1.08 0.00 0.00 175.30 173.17 1j5h h TRP 83 N 1.04 0.00 0.00 5.89 4.06 -1.67 -3.47 115.95 121.80 1j5h h TRP 83 Ca -0.50 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.45 1j5h h TRP 83 Cb 1.24 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.40 1j5h h TRP 83 CO 0.45 0.93 0.00 0.41 -3.56 0.00 0.00 178.44 176.67 1j5h n GLY 84 N 1.52 1.25 2.88 1.49 0.00 -1.26 -4.96 105.19 106.12 1j5h n GLY 84 Ca -0.21 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 1j5h n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5h s THR 85 N 0.00 -0.58 0.20 2.61 2.01 -1.26 -1.29 115.64 117.33 1j5h s THR 85 Ca 0.00 -0.29 0.01 0.00 0.31 0.00 0.00 61.69 61.73 1j5h s THR 85 Cb 0.00 -0.95 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 1j5h s THR 85 CO 0.00 -0.29 0.05 0.54 -0.69 0.00 0.00 174.62 174.23 1j5h s VAL 86 N 2.51 0.57 -0.17 3.82 0.11 -0.61 -4.63 120.40 121.99 1j5h s VAL 86 Ca 0.10 -1.98 -0.32 0.00 -2.93 0.00 0.00 61.98 56.85 1j5h s VAL 86 Cb -0.13 -2.32 -0.09 0.00 -1.53 0.00 0.00 36.38 32.31 1j5h s VAL 86 CO -0.28 -0.28 2.09 0.47 -3.33 0.00 0.00 175.10 173.77 1j5h n ASP 87 N -0.31 3.21 -0.11 3.54 8.00 -1.26 0.78 116.55 130.40 1j5h n ASP 87 Ca -0.04 0.56 -0.14 0.00 0.71 0.00 0.00 54.79 55.89 1j5h n ASP 87 Cb 0.64 -1.44 -0.03 0.00 -0.02 0.00 0.00 41.12 40.27 1j5h n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j5h h THR 89 N 0.65 0.18 0.00 0.00 1.03 -1.84 3.73 112.91 116.65 1j5h h THR 89 Ca 0.05 0.00 -0.07 0.00 -0.01 0.00 0.00 66.41 66.38 1j5h h THR 89 Cb 0.97 0.22 -0.01 0.00 -1.07 0.00 0.00 68.15 68.26 1j5h h THR 89 CO 0.09 0.00 -0.32 0.74 -0.01 0.00 0.00 175.52 176.02 1j5h h THR 90 N 0.00 0.86 0.00 0.00 2.02 -1.86 -3.03 112.91 110.91 1j5h h THR 90 Ca 0.61 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1j5h h THR 90 Cb 2.72 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 70.91 1j5h h THR 90 CO -0.01 0.31 -0.01 0.00 0.37 0.00 0.00 175.52 176.19 1j5h n ALA 91 N -2.31 1.83 -3.72 6.16 0.00 1.07 -5.03 120.51 118.50 1j5h n ALA 91 Ca -0.01 -1.04 -0.27 0.00 0.00 0.00 0.00 53.44 52.13 1j5h n ALA 91 Cb 0.44 -0.04 0.01 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.47 -2.70 -0.53 0.00 0.00 0.74 -4.02 120.51 113.53 1j5h n ALA 92 Ca 0.01 -0.14 -0.28 0.00 0.00 0.00 0.00 53.44 53.04 1j5h n ALA 92 Cb 0.34 -1.05 0.20 0.00 0.00 0.00 0.00 19.45 18.95 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 -3.85 0.40 -0.15 0.00 0.00 0.04 -1.86 119.66 114.24 1j5h s GLN 94 Ca 0.55 -0.68 0.01 0.00 -0.00 0.00 0.00 55.36 55.24 1j5h s GLN 94 Cb -0.13 -0.04 0.02 0.00 0.00 0.00 0.00 33.01 32.86 1j5h s GLN 94 CO 0.57 -0.01 -0.17 0.54 0.00 0.00 0.00 175.29 176.22 1j5h s VAL 95 N -1.47 1.75 0.43 3.63 0.11 -0.57 -0.57 120.40 123.69 1j5h s VAL 95 Ca -0.13 -0.76 0.04 0.00 -2.93 0.00 0.00 61.98 58.20 1j5h s VAL 95 Cb -0.10 -1.60 -0.02 0.00 -1.53 0.00 0.00 36.38 33.13 1j5h s VAL 95 CO -0.01 0.49 0.13 -0.83 -3.33 0.00 0.00 175.10 171.55 1j5h s GLY 96 N 1.28 2.70 0.11 6.54 0.00 -1.25 -0.03 107.32 116.66 1j5h s GLY 96 Ca 0.02 -1.12 0.02 0.00 0.00 0.00 0.00 44.72 43.64 1j5h s GLY 96 CO -0.09 -1.85 0.20 1.08 0.00 0.00 0.00 173.10 172.43 1j5h s LEU 97 N -3.64 4.17 0.03 0.66 2.01 -1.26 -1.20 118.68 119.45 1j5h s LEU 97 Ca 0.21 0.13 0.02 0.00 0.01 0.00 0.00 54.13 54.50 1j5h s LEU 97 Cb 0.02 -2.78 -0.02 0.00 0.01 0.00 0.00 46.19 43.42 1j5h s LEU 97 CO 0.14 0.12 -0.07 -0.44 1.01 0.00 0.00 176.35 177.11 1j5h s SER 98 N -2.79 0.73 0.58 2.29 0.01 0.21 -4.81 113.70 109.92 1j5h s SER 98 Ca 0.33 -0.46 0.09 0.00 1.31 0.00 0.00 55.95 57.23 1j5h s SER 98 Cb -0.12 0.02 0.09 0.00 0.21 0.00 0.00 66.02 66.23 1j5h s SER 98 CO 0.26 -0.16 0.77 -0.90 0.41 0.00 0.00 173.24 173.62 1j5h n ASP 99 N 1.76 2.17 0.24 2.44 5.68 -1.26 0.86 116.55 128.45 1j5h n ASP 99 Ca -0.21 -2.57 0.15 0.00 -0.50 0.00 0.00 54.79 51.65 1j5h n ASP 99 Cb 0.55 -0.39 0.78 0.00 -1.14 0.00 0.00 41.12 40.92 1j5h n ASP 99 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1j5h h ALA 100 N 0.17 1.09 -0.00 2.12 0.00 -1.97 1.50 119.26 122.16 1j5h h ALA 100 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1j5h h ALA 100 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1j5h h ALA 100 CO 0.40 -0.09 -0.39 0.00 0.00 0.00 0.00 179.25 179.18 1j5h n ALA 101 N -1.85 3.34 -0.88 0.00 0.00 -1.26 -4.91 120.51 114.95 1j5h n ALA 101 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1j5h n ALA 101 Cb 0.15 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 1.42 0.88 5.30 0.00 0.00 0.51 -4.93 105.19 108.37 1j5h n GLY 102 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1j5h n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1j5h n ASN 103 N 0.00 0.00 -4.34 1.61 5.15 -1.26 -4.58 115.26 111.84 1j5h n ASN 103 Ca 0.00 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.69 1j5h n ASN 103 Cb 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.18 1j5h n ASN 103 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1j5h s GLY 104 N 0.00 2.87 0.17 8.20 0.00 -1.26 -4.96 107.32 112.35 1j5h s GLY 104 Ca 0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 44.72 43.70 1j5h s GLY 104 CO 0.00 -1.99 1.12 2.56 0.00 0.00 0.00 173.10 174.79 1j5h s PRO 105 N -3.76 4.57 0.00 2.90 0.04 -1.26 -4.83 135.00 132.67 1j5h s PRO 105 Ca 0.14 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1j5h s PRO 105 Cb 0.01 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1j5h s PRO 105 CO 0.09 0.04 0.00 0.39 0.04 0.00 0.00 177.00 177.56 1j5h n GLU 106 N 2.44 0.00 -0.96 4.56 -0.58 -1.26 -5.17 120.64 119.68 1j5h n GLU 106 Ca 0.03 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.50 1j5h n GLU 106 Cb 0.46 0.00 0.23 0.00 -0.57 0.00 0.00 31.44 31.56 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 0.00 -2.75 3.48 0.62 0.00 -1.26 -4.71 105.19 100.57 1j5h n GLY 107 Ca 0.00 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 44.16 1j5h n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j5h s VAL 108 N -2.83 4.63 -0.21 1.61 1.01 0.96 -4.59 120.40 120.98 1j5h s VAL 108 Ca 0.66 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.21 1j5h s VAL 108 Cb -0.06 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1j5h s VAL 108 CO 0.50 0.26 1.69 0.00 0.00 0.00 0.00 175.10 177.54 1j5h s ALA 109 N 1.65 3.23 -0.03 5.51 0.00 -1.26 -1.52 121.76 129.34 1j5h s ALA 109 Ca 0.06 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.58 1j5h s ALA 109 Cb -0.16 -3.88 -0.03 0.00 0.00 0.00 0.00 23.12 19.06 1j5h s ALA 109 CO 0.06 -2.03 -0.12 0.42 0.00 0.00 0.00 175.76 174.09 1j5h s ILE 110 N 5.47 3.27 -0.53 0.00 1.01 -0.78 -4.89 121.20 124.74 1j5h s ILE 110 Ca 0.75 -0.74 -0.19 0.00 0.00 0.00 0.00 60.65 60.47 1j5h s ILE 110 Cb -0.26 -2.33 0.07 0.00 0.01 0.00 0.00 42.46 39.95 1j5h s ILE 110 CO 0.31 0.52 0.64 -0.44 0.00 0.00 0.00 174.94 175.97 1j5h s SER 111 N -0.97 6.21 -0.11 3.58 0.01 -0.78 -4.26 113.70 117.38 1j5h s SER 111 Ca 0.13 -1.08 -0.25 0.00 1.31 0.00 0.00 55.95 56.07 1j5h s SER 111 Cb -0.11 -2.29 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 1j5h s SER 111 CO 0.03 -0.95 0.78 -0.36 0.41 0.00 0.00 173.24 173.15 1j5h s PHE 112 N 2.62 3.51 0.00 2.43 0.40 -1.26 0.17 117.98 125.84 1j5h s PHE 112 Ca 0.14 1.28 0.00 0.00 -0.60 0.00 0.00 56.93 57.75 1j5h s PHE 112 Cb -0.21 -2.93 0.00 0.00 0.51 0.00 0.00 43.02 40.39 1j5h s PHE 112 CO 0.10 -0.08 0.00 0.09 0.70 0.00 0.00 175.22 176.03