#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 -0.07 -0.57 0.00 0.00 -1.97 -3.39 119.26 113.27 1j5h h ALA 2 Ca 0.00 -0.19 -0.53 0.00 0.00 0.00 0.00 54.91 54.18 1j5h h ALA 2 Cb 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1j5h h ALA 2 CO 0.00 -0.08 1.81 -0.35 0.00 0.00 0.00 179.25 180.63 1j5h n PRO 3 N -4.77 2.37 -3.64 0.00 -0.04 -1.21 -4.02 135.00 123.70 1j5h n PRO 3 Ca -0.05 -2.78 -0.04 0.00 -0.04 0.00 0.00 63.50 60.59 1j5h n PRO 3 Cb 0.20 -3.54 -0.06 0.00 -0.04 0.00 0.00 33.50 30.06 1j5h n PRO 3 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1j5h s THR 4 N 7.09 0.00 0.27 0.52 -4.23 0.15 -4.71 115.64 114.72 1j5h s THR 4 Ca 0.60 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 61.17 1j5h s THR 4 Cb 0.04 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.85 1j5h s THR 4 CO 0.09 0.00 0.30 0.00 -0.54 0.00 0.00 174.62 174.47 1j5h s ALA 5 N -0.31 3.81 0.16 3.99 0.00 -1.26 0.61 121.76 128.76 1j5h s ALA 5 Ca 0.06 -1.39 -0.15 0.00 0.00 0.00 0.00 51.96 50.48 1j5h s ALA 5 Cb -0.04 -1.48 0.02 0.00 0.00 0.00 0.00 23.12 21.63 1j5h s ALA 5 CO -0.11 0.18 0.42 0.95 0.00 0.00 0.00 175.76 177.21 1j5h s THR 6 N -2.11 0.06 -0.09 0.00 -4.23 -0.02 -4.26 115.64 104.99 1j5h s THR 6 Ca 0.36 -0.79 0.02 0.00 -1.18 0.00 0.00 61.69 60.10 1j5h s THR 6 Cb -0.08 -1.43 -0.02 0.00 1.34 0.00 0.00 72.50 72.32 1j5h s THR 6 CO 0.27 -0.25 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.24 1j5h s VAL 7 N -3.86 2.78 0.08 2.29 1.01 -1.26 -1.26 120.40 120.19 1j5h s VAL 7 Ca 0.07 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.10 1j5h s VAL 7 Cb 0.01 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1j5h s VAL 7 CO -0.07 0.56 0.90 0.41 0.00 0.00 0.00 175.10 176.90 1j5h n THR 8 N 3.06 -0.36 0.00 3.92 -1.04 -0.55 -3.32 114.28 115.99 1j5h n THR 8 Ca -0.18 1.41 0.00 0.00 -2.04 0.00 0.00 64.05 63.24 1j5h n THR 8 Cb 0.52 -1.75 0.00 0.00 -1.82 0.00 0.00 70.33 67.28 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 -4.46 0.00 -0.98 -2.82 -0.04 -1.26 -4.98 135.00 120.45 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 -0.39 0.00 0.00 -0.04 0.00 0.00 33.50 33.21 1j5h n PRO 9 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1j5h n SER 10 N -0.26 -1.42 -3.65 3.54 3.41 -1.21 -5.02 113.62 109.02 1j5h n SER 10 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 1j5h n SER 10 Cb 0.00 -0.34 -0.07 0.00 -0.26 0.00 0.00 64.21 63.54 1j5h n SER 10 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1j5h s SER 11 N -2.68 -0.05 -0.58 4.04 1.04 -1.25 -1.31 113.70 112.91 1j5h s SER 11 Ca 0.00 0.10 -0.01 0.00 0.48 0.00 0.00 55.95 56.52 1j5h s SER 11 Cb 0.00 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1j5h s SER 11 CO 0.00 -0.02 0.14 0.61 0.98 0.00 0.00 173.24 174.96 1j5h n GLY 12 N 1.68 0.19 0.00 7.32 0.00 0.57 -4.85 105.19 110.10 1j5h n GLY 12 Ca -0.11 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.42 0.00 -3.85 0.99 4.77 -0.80 -4.65 117.00 112.04 1j5h n LEU 13 Ca -0.06 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.85 1j5h n LEU 13 Cb 0.55 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.63 1j5h n LEU 13 CO 0.15 0.00 0.49 -0.55 -1.33 0.00 0.00 177.39 176.15 1j5h s SER 14 N -1.00 -0.20 -0.58 -1.43 0.15 -1.26 -0.90 113.70 108.47 1j5h s SER 14 Ca 0.00 -0.71 -0.26 0.00 0.70 0.00 0.00 55.95 55.68 1j5h s SER 14 Cb 0.00 0.75 -0.03 0.00 -1.71 0.00 0.00 66.02 65.02 1j5h s SER 14 CO 0.00 -1.40 2.01 -0.62 1.20 0.00 0.00 173.24 174.43 1j5h s ASP 15 N -2.95 5.05 0.00 5.45 2.15 -1.26 -1.27 116.67 123.83 1j5h s ASP 15 Ca 0.12 0.54 0.00 0.00 0.43 0.00 0.00 52.55 53.64 1j5h s ASP 15 Cb -0.06 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 1j5h s ASP 15 CO 0.08 -2.51 0.00 0.61 -0.17 0.00 0.00 175.17 173.18 1j5h n GLY 16 N 5.78 1.77 3.58 2.66 0.00 -1.23 -4.85 105.19 112.91 1j5h n GLY 16 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 4.03 -0.79 2.61 2.01 -0.40 -4.63 115.64 116.47 1j5h s THR 17 Ca 0.00 -1.77 -0.25 0.00 0.31 0.00 0.00 61.69 59.98 1j5h s THR 17 Cb 0.00 -5.11 -0.01 0.00 0.01 0.00 0.00 72.50 67.39 1j5h s THR 17 CO 0.00 -1.88 1.76 -0.69 -0.69 0.00 0.00 174.62 173.12 1j5h s VAL 18 N 5.25 3.52 0.41 3.82 1.01 -1.25 -1.72 120.40 131.44 1j5h s VAL 18 Ca 0.56 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.49 1j5h s VAL 18 Cb 0.03 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 1j5h s VAL 18 CO 0.09 -1.20 0.12 0.68 0.00 0.00 0.00 175.10 174.79 1j5h s VAL 19 N 8.42 2.21 0.23 2.92 -7.23 -0.73 -4.74 120.40 121.47 1j5h s VAL 19 Ca 0.61 -1.81 -0.32 0.00 -1.81 0.00 0.00 61.98 58.65 1j5h s VAL 19 Cb -0.08 -3.00 -0.12 0.00 0.56 0.00 0.00 36.38 33.74 1j5h s VAL 19 CO 0.08 -0.00 1.66 1.17 -0.31 0.00 0.00 175.10 177.69 1j5h n LYS 20 N -1.14 2.67 -4.26 4.82 4.81 -1.26 -0.85 118.16 122.95 1j5h n LYS 20 Ca -0.02 0.96 -0.17 0.00 -0.87 0.00 0.00 58.31 58.20 1j5h n LYS 20 Cb 0.65 -2.77 -0.15 0.00 0.02 0.00 0.00 35.03 32.78 1j5h n LYS 20 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1j5h s VAL 21 N 0.77 0.55 0.03 3.15 1.01 0.31 -1.48 120.40 124.75 1j5h s VAL 21 Ca 0.72 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.39 1j5h s VAL 21 Cb -0.53 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1j5h s VAL 21 CO 0.38 0.16 -0.00 0.00 0.00 0.00 0.00 175.10 175.64 1j5h s ALA 22 N -0.14 0.20 0.00 5.51 0.00 -0.39 0.01 121.76 126.95 1j5h s ALA 22 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1j5h s ALA 22 Cb -0.03 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1j5h s ALA 22 CO -0.00 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1j5h n GLY 23 N 0.95 1.61 0.00 0.00 0.00 0.07 -0.84 105.19 106.97 1j5h n GLY 23 Ca -0.20 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.75 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 0.79 0.00 0.00 4.61 0.00 0.20 -1.56 120.51 124.55 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 -0.23 3.52 0.00 0.00 -1.26 0.31 105.19 107.54 1j5h n GLY 25 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.22 -3.86 0.00 0.99 7.94 -1.07 -4.49 117.00 115.28 1j5h n LEU 26 Ca 0.00 -0.89 0.00 0.00 -1.11 0.00 0.00 56.01 54.01 1j5h n LEU 26 Cb 0.00 -2.68 0.00 0.00 0.53 0.00 0.00 43.42 41.28 1j5h n LEU 26 CO 0.00 0.31 0.00 0.00 -1.11 0.00 0.00 177.39 176.59 1j5h n GLN 27 N -3.79 0.00 0.00 1.96 1.13 0.07 -4.51 117.38 112.24 1j5h n GLN 27 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 1j5h n GLN 27 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.95 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 -1.46 -1.58 0.00 -1.26 -3.59 120.51 109.63 1j5h n ALA 28 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1j5h n ALA 28 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 1.50 3.91 0.00 0.00 -1.25 -4.89 105.19 104.46 1j5h n GLY 29 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.33 3.82 0.42 2.61 2.01 -1.26 -4.52 115.64 116.38 1j5h s THR 30 Ca 0.00 0.12 -0.23 0.00 0.31 0.00 0.00 61.69 61.89 1j5h s THR 30 Cb 0.00 -3.52 -0.09 0.00 0.01 0.00 0.00 72.50 68.90 1j5h s THR 30 CO 0.00 -0.56 1.01 0.00 -0.69 0.00 0.00 174.62 174.39 1j5h s ALA 31 N -3.01 3.04 -0.44 7.40 0.00 -1.26 -1.15 121.76 126.33 1j5h s ALA 31 Ca 0.54 0.59 0.05 0.00 0.00 0.00 0.00 51.96 53.14 1j5h s ALA 31 Cb -0.11 -3.23 0.18 0.00 0.00 0.00 0.00 23.12 19.96 1j5h s ALA 31 CO 0.46 -0.11 0.47 0.66 0.00 0.00 0.00 175.76 177.23 1j5h n TYR 32 N -0.31 -1.78 -1.67 0.00 4.01 0.13 -4.86 117.16 112.68 1j5h n TYR 32 Ca 0.06 -2.74 -0.56 0.00 -0.16 0.00 0.00 57.90 54.50 1j5h n TYR 32 Cb 0.51 0.61 -0.07 0.00 -0.31 0.00 0.00 39.34 40.08 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 2.79 2.44 -4.54 7.72 2.03 -0.94 -1.66 116.55 124.39 1j5h n ASP 33 Ca 0.26 0.99 -0.35 0.00 0.52 0.00 0.00 54.79 56.21 1j5h n ASP 33 Cb 0.51 -1.17 0.10 0.00 -0.72 0.00 0.00 41.12 39.83 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 4.99 1.67 -3.92 5.18 0.31 0.22 0.13 118.33 126.91 1j5h n VAL 34 Ca 0.28 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1j5h n VAL 34 Cb 0.15 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 1j5h n VAL 34 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j5h n GLY 35 N 1.23 4.20 0.00 2.92 0.00 0.32 -4.31 105.19 109.55 1j5h n GLY 35 Ca 0.11 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -4.35 1.61 6.02 -1.26 -4.00 117.38 115.40 1j5h n GLN 36 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 1j5h n GLN 36 Cb 0.00 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.16 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 -3.61 -0.41 -0.01 0.00 0.00 0.21 -0.48 121.76 117.46 1j5h s ALA 38 Ca 0.35 0.83 -0.30 0.00 0.00 0.00 0.00 51.96 52.84 1j5h s ALA 38 Cb 0.06 -0.66 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 1j5h s ALA 38 CO 0.16 -0.30 1.02 -0.46 0.00 0.00 0.00 175.76 176.18 1j5h s TRP 39 N 1.55 3.60 0.00 0.00 -0.00 -1.25 0.04 118.94 122.87 1j5h s TRP 39 Ca -0.06 1.62 0.00 0.00 -0.00 0.00 0.00 56.10 57.66 1j5h s TRP 39 Cb -0.11 -3.18 0.00 0.00 -0.00 0.00 0.00 33.47 30.18 1j5h s TRP 39 CO -0.07 -0.25 0.00 0.28 -0.00 0.00 0.00 176.95 176.91 1j5h n VAL 40 N 4.00 0.00 0.00 5.86 0.31 -0.23 -4.63 118.33 123.64 1j5h n VAL 40 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1j5h n VAL 40 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 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 -0.45 -0.01 4.52 2.03 -1.22 -4.86 116.55 116.55 1j5h n ASP 41 Ca 0.00 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.15 1j5h n ASP 41 Cb 0.00 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 1j5h n ASP 41 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1j5h h THR 42 N -1.10 1.50 -0.21 5.18 2.02 -2.04 -3.34 112.91 114.91 1j5h h THR 42 Ca 0.00 -2.03 -0.14 0.00 0.77 0.00 0.00 66.41 65.01 1j5h h THR 42 Cb 0.00 2.71 -0.11 0.00 -1.74 0.00 0.00 68.15 69.02 1j5h h THR 42 CO 0.00 0.57 -0.49 0.61 0.37 0.00 0.00 175.52 176.58 1j5h n GLY 43 N 1.08 5.38 3.09 2.16 0.00 -1.26 -4.98 105.19 110.66 1j5h n GLY 43 Ca -0.10 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.54 1.58 -0.29 1.61 1.01 -1.26 -5.09 120.40 114.43 1j5h s VAL 44 Ca 0.42 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1j5h s VAL 44 Cb 0.39 -1.42 0.09 0.00 0.00 0.00 0.00 36.38 35.44 1j5h s VAL 44 CO -0.04 0.46 0.08 -0.22 0.00 0.00 0.00 175.10 175.38 1j5h s LEU 45 N 0.77 1.96 -0.55 3.92 0.20 -1.26 -1.07 118.68 122.65 1j5h s LEU 45 Ca -0.11 -1.46 -0.28 0.00 0.69 0.00 0.00 54.13 52.98 1j5h s LEU 45 Cb -0.16 -0.80 0.01 0.00 -0.43 0.00 0.00 46.19 44.81 1j5h s LEU 45 CO 0.02 -0.39 1.52 0.00 -0.29 0.00 0.00 176.35 177.21 1j5h s ALA 46 N 1.68 2.71 0.53 5.97 0.00 0.11 -4.47 121.76 128.28 1j5h s ALA 46 Ca 0.07 -0.61 -0.08 0.00 0.00 0.00 0.00 51.96 51.34 1j5h s ALA 46 Cb -0.17 -4.13 -0.04 0.00 0.00 0.00 0.00 23.12 18.77 1j5h s ALA 46 CO -0.22 -3.08 0.89 0.00 0.00 0.00 0.00 175.76 173.35 1j5h s ASN 48 N -4.05 5.21 0.00 0.00 3.04 0.54 -0.33 114.94 119.35 1j5h s ASN 48 Ca 0.51 -3.28 0.00 0.00 0.04 0.00 0.00 52.86 50.13 1j5h s ASN 48 Cb -0.11 -1.80 0.00 0.00 -1.54 0.00 0.00 41.25 37.81 1j5h s ASN 48 CO 0.47 -0.25 1.44 -0.81 -3.04 0.00 0.00 177.10 174.91 1j5h n PRO 49 N 2.86 0.75 0.00 0.43 -0.04 -1.26 -2.26 135.00 135.48 1j5h n PRO 49 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 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 1.55 1.04 -0.30 0.55 0.00 -1.26 -4.83 120.51 117.26 1j5h n ALA 50 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1j5h n ALA 50 Cb 0.37 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.04 0.00 0.00 2.03 -1.73 -3.42 116.42 112.26 1j5h h ASP 51 Ca 0.00 0.26 0.00 0.00 -0.73 0.00 0.00 57.03 56.56 1j5h h ASP 51 Cb 0.47 0.60 0.00 0.00 -0.83 0.00 0.00 39.33 39.57 1j5h h ASP 51 CO 0.00 -0.29 0.00 0.49 -1.03 0.00 0.00 179.24 178.41 1j5h n PHE 52 N -5.50 0.00 -0.84 4.15 3.72 -1.26 -4.87 117.46 112.85 1j5h n PHE 52 Ca 0.10 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.23 1j5h n PHE 52 Cb 0.40 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.96 1j5h n PHE 52 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1j5h n SER 53 N 1.01 -2.94 -3.85 4.37 7.64 -1.26 -4.56 113.62 114.03 1j5h n SER 53 Ca 0.00 0.39 -0.13 0.00 1.01 0.00 0.00 58.87 60.14 1j5h n SER 53 Cb 0.00 -0.59 -0.15 0.00 -1.01 0.00 0.00 64.21 62.47 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 0.06 0.22 6.43 1.04 -1.26 0.71 113.70 120.19 1j5h s SER 54 Ca 0.38 0.01 0.08 0.00 0.48 0.00 0.00 55.95 56.90 1j5h s SER 54 Cb -0.30 -0.03 -0.05 0.00 0.10 0.00 0.00 66.02 65.74 1j5h s SER 54 CO 0.49 -0.03 -0.15 0.54 0.98 0.00 0.00 173.24 175.07 1j5h s VAL 55 N 0.30 1.84 0.16 5.02 0.11 -0.67 -4.78 120.40 122.39 1j5h s VAL 55 Ca -0.03 -2.24 0.10 0.00 -2.93 0.00 0.00 61.98 56.89 1j5h s VAL 55 Cb -0.04 -2.08 -0.04 0.00 -1.53 0.00 0.00 36.38 32.69 1j5h s VAL 55 CO -0.01 -0.57 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.12 1j5h s THR 56 N -2.91 2.72 0.73 5.04 2.01 -1.26 0.22 115.64 122.19 1j5h s THR 56 Ca 0.24 -1.75 -0.08 0.00 0.31 0.00 0.00 61.69 60.41 1j5h s THR 56 Cb -0.01 -2.29 0.07 0.00 0.01 0.00 0.00 72.50 70.27 1j5h s THR 56 CO 0.08 -0.03 1.06 0.00 -0.69 0.00 0.00 174.62 175.04 1j5h s ALA 57 N -1.47 3.03 -0.11 7.40 0.00 -0.30 -2.13 121.76 128.18 1j5h s ALA 57 Ca 0.20 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 51.29 1j5h s ALA 57 Cb -0.09 -2.68 0.02 0.00 0.00 0.00 0.00 23.12 20.37 1j5h s ALA 57 CO 0.11 -1.41 -0.08 0.16 0.00 0.00 0.00 175.76 174.54 1j5h s ASP 58 N -4.54 2.15 0.00 0.00 1.47 0.22 -3.76 116.67 112.21 1j5h s ASP 58 Ca 0.61 -0.30 0.00 0.00 1.18 0.00 0.00 52.55 54.04 1j5h s ASP 58 Cb -0.11 -0.84 0.00 0.00 -0.34 0.00 0.00 42.92 41.64 1j5h s ASP 58 CO 0.46 -0.11 0.00 0.00 0.68 0.00 0.00 175.17 176.20 1j5h n ALA 59 N 4.88 0.00 -0.27 2.11 0.00 -1.26 0.17 120.51 126.14 1j5h n ALA 59 Ca -0.13 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.42 1j5h n ALA 59 Cb 0.50 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.17 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 0.55 -0.11 0.00 0.00 4.13 -1.26 -4.05 115.26 114.52 1j5h n ASN 60 Ca 0.00 1.31 0.00 0.00 1.68 0.00 0.00 54.58 57.57 1j5h n ASN 60 Cb 0.00 -0.47 0.00 0.00 -1.54 0.00 0.00 39.78 37.77 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 -1.40 0.14 3.74 7.41 0.00 0.44 -4.19 105.19 111.34 1j5h n GLY 61 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.04 7.46 0.84 1.61 0.01 -1.20 -0.75 113.70 121.63 1j5h s SER 62 Ca 0.00 1.97 -0.11 0.00 1.31 0.00 0.00 55.95 59.12 1j5h s SER 62 Cb 0.00 -2.60 0.10 0.00 0.21 0.00 0.00 66.02 63.72 1j5h s SER 62 CO 0.00 -0.05 1.10 0.00 0.41 0.00 0.00 173.24 174.70 1j5h s ALA 63 N -0.53 1.85 -0.29 1.44 0.00 -0.60 0.73 121.76 124.35 1j5h s ALA 63 Ca 0.46 0.19 -0.01 0.00 0.00 0.00 0.00 51.96 52.60 1j5h s ALA 63 Cb -0.27 -3.27 0.19 0.00 0.00 0.00 0.00 23.12 19.78 1j5h s ALA 63 CO 0.33 -2.14 0.74 -1.54 0.00 0.00 0.00 175.76 173.15 1j5h s SER 64 N -3.28 -1.20 -0.10 0.00 1.04 -0.90 -0.75 113.70 108.50 1j5h s SER 64 Ca 0.63 0.24 -0.32 0.00 0.48 0.00 0.00 55.95 56.98 1j5h s SER 64 Cb -0.18 1.81 0.13 0.00 0.10 0.00 0.00 66.02 67.87 1j5h s SER 64 CO 0.57 -0.22 1.42 0.28 0.98 0.00 0.00 173.24 176.27 1j5h s THR 65 N 2.88 0.00 -0.23 2.02 -1.32 0.10 -4.65 115.64 114.43 1j5h s THR 65 Ca 0.15 -0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.38 1j5h s THR 65 Cb -0.08 -2.42 -0.00 0.00 -1.51 0.00 0.00 72.50 68.48 1j5h s THR 65 CO -0.24 0.00 0.85 -0.44 -2.21 0.00 0.00 174.62 172.58 1j5h s SER 66 N -3.42 6.87 -0.06 8.08 0.01 -1.26 0.11 113.70 124.04 1j5h s SER 66 Ca 0.23 1.08 0.03 0.00 1.31 0.00 0.00 55.95 58.60 1j5h s SER 66 Cb 0.05 -2.45 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 1j5h s SER 66 CO -0.05 -0.51 -0.15 -0.76 0.41 0.00 0.00 173.24 172.17 1j5h s LEU 67 N 2.78 2.66 -0.24 2.44 1.02 -0.03 -4.82 118.68 122.50 1j5h s LEU 67 Ca 0.36 -0.24 -0.29 0.00 0.02 0.00 0.00 54.13 53.98 1j5h s LEU 67 Cb -0.15 -1.54 -0.00 0.00 0.02 0.00 0.00 46.19 44.51 1j5h s LEU 67 CO 0.08 0.32 1.21 0.28 0.02 0.00 0.00 176.35 178.25 1j5h s THR 68 N -0.56 4.34 -1.38 5.49 -1.32 -1.26 -1.77 115.64 119.18 1j5h s THR 68 Ca 0.08 1.58 -0.08 0.00 -1.21 0.00 0.00 61.69 62.06 1j5h s THR 68 Cb -0.11 -4.17 0.09 0.00 -1.51 0.00 0.00 72.50 66.80 1j5h s THR 68 CO 0.01 -0.30 2.35 0.52 -2.21 0.00 0.00 174.62 174.99 1j5h n VAL 69 N 5.70 4.73 -1.82 5.08 0.31 -0.70 -4.78 118.33 126.85 1j5h n VAL 69 Ca 0.14 -3.94 -0.41 0.00 -0.01 0.00 0.00 64.34 60.12 1j5h n VAL 69 Cb 0.46 -2.28 0.00 0.00 -0.91 0.00 0.00 33.84 31.11 1j5h n VAL 69 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1j5h s ARG 70 N 0.14 4.06 0.00 5.55 0.52 -1.26 -3.48 118.95 124.48 1j5h s ARG 70 Ca 0.53 2.53 0.00 0.00 -0.52 0.00 0.00 55.73 58.27 1j5h s ARG 70 Cb 0.16 -2.93 0.00 0.00 0.52 0.00 0.00 34.95 32.70 1j5h s ARG 70 CO -0.06 -0.56 0.00 2.89 0.02 0.00 0.00 175.30 177.59 1j5h n ARG 71 N 0.38 0.00 -2.02 3.54 1.85 -1.26 -4.82 116.66 114.32 1j5h n ARG 71 Ca 0.01 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.60 1j5h n ARG 71 Cb 0.40 -0.12 -0.06 0.00 -1.05 0.00 0.00 32.46 31.63 1j5h n ARG 71 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1j5h s SER 72 N -2.25 4.94 0.07 2.89 0.15 -1.25 -1.49 113.70 116.75 1j5h s SER 72 Ca 0.00 -1.32 0.04 0.00 0.70 0.00 0.00 55.95 55.37 1j5h s SER 72 Cb 0.00 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.70 1j5h s SER 72 CO 0.00 -3.11 -0.12 0.72 1.20 0.00 0.00 173.24 171.93 1j5h s PHE 73 N 11.23 1.05 -0.19 3.44 -0.12 -0.37 -4.70 117.98 128.31 1j5h s PHE 73 Ca 0.70 -0.49 -0.29 0.00 -0.05 0.00 0.00 56.93 56.80 1j5h s PHE 73 Cb -0.03 -0.60 -0.00 0.00 -0.63 0.00 0.00 43.02 41.76 1j5h s PHE 73 CO 0.10 0.01 1.15 -1.83 -0.05 0.00 0.00 175.22 174.61 1j5h s GLU 74 N -1.79 4.25 0.10 1.99 -1.05 -1.26 -0.26 118.70 120.68 1j5h s GLU 74 Ca -0.04 1.52 0.06 0.00 -0.15 0.00 0.00 54.97 56.36 1j5h s GLU 74 Cb -0.09 -3.70 -0.04 0.00 -0.44 0.00 0.00 34.13 29.86 1j5h s GLU 74 CO 0.02 -0.66 -0.03 0.20 0.95 0.00 0.00 175.26 175.74 1j5h s GLY 75 N 1.59 1.86 -0.10 -3.83 0.00 -1.26 -4.59 107.32 100.99 1j5h s GLY 75 Ca 0.50 -1.18 0.01 0.00 0.00 0.00 0.00 44.72 44.04 1j5h s GLY 75 CO 0.11 -1.17 -0.12 -1.36 0.00 0.00 0.00 173.10 170.56 1j5h s PHE 76 N -1.33 2.81 0.13 1.90 0.40 0.55 -1.21 117.98 121.22 1j5h s PHE 76 Ca 0.25 -0.41 -0.25 0.00 -0.60 0.00 0.00 56.93 55.92 1j5h s PHE 76 Cb -0.11 -1.78 -0.06 0.00 0.51 0.00 0.00 43.02 41.58 1j5h s PHE 76 CO 0.17 -0.03 1.31 1.28 0.70 0.00 0.00 175.22 178.65 1j5h n LEU 77 N 3.05 -0.85 0.00 -0.37 4.32 0.12 -1.20 117.00 122.08 1j5h n LEU 77 Ca -0.18 1.50 0.00 0.00 -0.02 0.00 0.00 56.01 57.32 1j5h n LEU 77 Cb 0.53 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 42.10 1j5h n LEU 77 CO 0.29 -1.20 0.00 0.33 -1.22 0.00 0.00 177.39 175.59 1j5h n PHE 78 N -4.89 0.00 -0.13 -1.77 7.35 -1.26 -4.06 117.46 112.70 1j5h n PHE 78 Ca 0.02 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.53 1j5h n PHE 78 Cb 0.21 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 39.92 1j5h n PHE 78 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1j5h n ASP 79 N 0.00 2.01 0.00 -2.13 8.00 -1.26 -4.99 116.55 118.18 1j5h n ASP 79 Ca 0.00 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1j5h n ASP 79 Cb 0.00 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 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 2.29 0.15 3.51 0.44 0.00 -1.26 -5.15 105.19 105.17 1j5h n GLY 80 Ca -0.45 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 1j5h n GLY 80 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j5h n THR 81 N 0.00 0.00 -3.51 2.61 -1.04 -1.26 -4.77 114.28 106.31 1j5h n THR 81 Ca 0.00 -0.33 -0.08 0.00 -2.04 0.00 0.00 64.05 61.60 1j5h n THR 81 Cb 0.00 -0.97 -0.02 0.00 -1.82 0.00 0.00 70.33 67.51 1j5h n THR 81 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j5h s ARG 82 N -4.41 0.78 -0.15 -2.82 3.03 -1.26 0.12 118.95 114.25 1j5h s ARG 82 Ca 0.68 -0.27 -0.13 0.00 2.03 0.00 0.00 55.73 58.03 1j5h s ARG 82 Cb -0.24 0.36 -0.04 0.00 -1.03 0.00 0.00 34.95 33.99 1j5h s ARG 82 CO 0.64 -0.34 -0.26 0.91 -1.13 0.00 0.00 175.30 175.12 1j5h n TRP 83 N -0.20 0.26 0.00 5.89 7.02 -0.35 -4.91 117.44 125.16 1j5h n TRP 83 Ca -0.08 0.11 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 1j5h n TRP 83 Cb 0.61 -0.52 0.00 0.00 -2.42 0.00 0.00 31.31 28.98 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 1.52 2.34 3.48 6.99 0.00 -1.25 -4.90 105.19 113.36 1j5h n GLY 84 Ca -0.10 -1.65 -0.17 0.00 0.00 0.00 0.00 46.02 44.09 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 1.66 -0.52 -2.67 2.61 5.66 -1.25 -4.72 114.28 115.04 1j5h n THR 85 Ca 0.00 -0.26 -0.43 0.00 -3.05 0.00 0.00 64.05 60.31 1j5h n THR 85 Cb 0.00 -0.54 -0.02 0.00 -1.55 0.00 0.00 70.33 68.22 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 -3.69 4.68 -0.54 1.08 0.11 0.63 -4.62 120.40 118.06 1j5h s VAL 86 Ca 0.02 1.97 -0.27 0.00 -2.93 0.00 0.00 61.98 60.77 1j5h s VAL 86 Cb -0.01 -4.31 -0.01 0.00 -1.53 0.00 0.00 36.38 30.53 1j5h s VAL 86 CO 0.55 -0.20 1.65 -1.81 -3.33 0.00 0.00 175.10 171.97 1j5h s ASP 87 N 1.25 5.76 0.35 3.54 -0.00 -1.26 -1.24 116.67 125.07 1j5h s ASP 87 Ca 0.43 0.48 0.14 0.00 -0.00 0.00 0.00 52.55 53.61 1j5h s ASP 87 Cb -0.15 -2.54 1.03 0.00 -0.00 0.00 0.00 42.92 41.27 1j5h s ASP 87 CO 0.07 -1.97 1.71 0.00 -0.00 0.00 0.00 175.17 174.98 1j5h h THR 89 N 0.43 0.59 0.00 0.00 1.03 -1.84 3.92 112.91 117.03 1j5h h THR 89 Ca 0.67 0.00 -0.15 0.00 -0.01 0.00 0.00 66.41 66.92 1j5h h THR 89 Cb 1.51 0.95 -0.02 0.00 -1.07 0.00 0.00 68.15 69.52 1j5h h THR 89 CO -0.47 0.00 -0.73 0.74 -0.01 0.00 0.00 175.52 175.05 1j5h h THR 90 N 0.00 1.38 -0.31 0.00 2.02 0.38 -3.30 112.91 113.08 1j5h h THR 90 Ca 0.03 -2.64 -0.25 0.00 0.77 0.00 0.00 66.41 64.32 1j5h h THR 90 Cb 0.14 2.48 -0.34 0.00 -1.74 0.00 0.00 68.15 68.70 1j5h h THR 90 CO -0.00 0.72 -0.93 0.00 0.37 0.00 0.00 175.52 175.68 1j5h n ALA 91 N -2.34 3.22 -3.45 6.16 0.00 0.41 -5.00 120.51 119.52 1j5h n ALA 91 Ca 0.00 -2.96 -0.03 0.00 0.00 0.00 0.00 53.44 50.45 1j5h n ALA 91 Cb 0.77 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.41 -1.14 -0.90 0.00 0.00 1.27 -3.88 120.51 115.45 1j5h n ALA 92 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.54 1j5h n ALA 92 Cb 0.91 -0.17 0.04 0.00 0.00 0.00 0.00 19.45 20.23 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 -2.55 0.72 -0.15 0.00 0.00 0.37 -1.98 119.66 116.07 1j5h s GLN 94 Ca 0.08 -0.95 -0.04 0.00 -0.00 0.00 0.00 55.36 54.45 1j5h s GLN 94 Cb -0.01 0.28 0.06 0.00 0.00 0.00 0.00 33.01 33.33 1j5h s GLN 94 CO 0.07 -0.20 0.09 0.54 0.00 0.00 0.00 175.29 175.80 1j5h s VAL 95 N -3.47 -0.11 0.06 3.63 0.11 -0.61 -1.70 120.40 118.31 1j5h s VAL 95 Ca 0.02 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.04 1j5h s VAL 95 Cb 0.04 -0.49 -0.00 0.00 -1.53 0.00 0.00 36.38 34.39 1j5h s VAL 95 CO -0.09 -0.19 0.04 0.61 -3.33 0.00 0.00 175.10 172.15 1j5h n GLY 96 N 5.29 3.86 3.79 6.54 0.00 -1.26 -3.72 105.19 119.69 1j5h n GLY 96 Ca -0.06 -1.72 -0.33 0.00 0.00 0.00 0.00 46.02 43.91 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 3.48 -0.32 0.99 -0.00 -1.26 -0.52 118.68 121.05 1j5h s LEU 97 Ca 0.06 1.89 -0.01 0.00 -0.00 0.00 0.00 54.13 56.08 1j5h s LEU 97 Cb 0.00 -4.54 0.13 0.00 -0.00 0.00 0.00 46.19 41.78 1j5h s LEU 97 CO 0.04 -1.30 0.24 -0.44 -0.00 0.00 0.00 176.35 174.89 1j5h s SER 98 N -2.66 2.49 0.77 1.48 0.01 0.34 -4.56 113.70 111.57 1j5h s SER 98 Ca 0.65 -1.46 -0.03 0.00 1.31 0.00 0.00 55.95 56.42 1j5h s SER 98 Cb -0.18 0.01 0.15 0.00 0.21 0.00 0.00 66.02 66.21 1j5h s SER 98 CO 0.37 -0.36 0.98 -0.90 0.41 0.00 0.00 173.24 173.74 1j5h n ASP 99 N 4.74 1.03 -0.87 2.44 5.68 -1.26 -2.21 116.55 126.11 1j5h n ASP 99 Ca 0.03 -1.94 0.04 0.00 -0.50 0.00 0.00 54.79 52.42 1j5h n ASP 99 Cb 0.42 -0.66 0.16 0.00 -1.14 0.00 0.00 41.12 39.90 1j5h n ASP 99 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1j5h n ALA 100 N -3.08 2.82 -2.66 2.12 0.00 -1.26 -2.91 120.51 115.54 1j5h n ALA 100 Ca -0.16 -0.70 -0.04 0.00 0.00 0.00 0.00 53.44 52.54 1j5h n ALA 100 Cb 0.54 -1.02 0.06 0.00 0.00 0.00 0.00 19.45 19.04 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 0.33 -0.04 0.00 0.00 0.00 -1.26 -4.96 120.51 114.58 1j5h n ALA 101 Ca 0.11 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1j5h n ALA 101 Cb 0.49 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.66 0.05 3.02 0.00 0.00 -1.25 -5.14 105.19 101.21 1j5h n GLY 102 Ca -0.13 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.51 -2.70 0.00 1.61 0.23 -1.15 -4.79 115.26 107.95 1j5h n ASN 103 Ca 0.00 -0.20 0.00 0.00 -0.53 0.00 0.00 54.58 53.85 1j5h n ASN 103 Cb 0.00 -0.70 0.00 0.00 -2.08 0.00 0.00 39.78 37.00 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 2.66 0.25 3.55 4.83 0.00 -1.26 -4.90 105.19 110.33 1j5h n GLY 104 Ca 0.02 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.77 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 2.99 0.00 1.61 0.04 -1.26 -4.30 135.00 134.09 1j5h s PRO 105 Ca 0.00 -0.25 0.00 0.00 0.04 0.00 0.00 61.00 60.79 1j5h s PRO 105 Cb 0.00 -4.73 0.00 0.00 0.04 0.00 0.00 34.50 29.81 1j5h s PRO 105 CO 0.00 -2.60 0.00 0.39 0.04 0.00 0.00 177.00 174.83 1j5h n GLU 106 N 9.09 0.00 -2.37 4.56 1.02 -1.26 -5.16 120.64 126.51 1j5h n GLU 106 Ca 0.24 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 57.14 1j5h n GLU 106 Cb 0.50 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.97 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 1.74 -0.28 0.62 0.00 -1.26 -4.61 107.32 103.53 1j5h s GLY 107 Ca 0.00 -1.09 -0.15 0.00 0.00 0.00 0.00 44.72 43.48 1j5h s GLY 107 CO 0.00 -0.73 0.39 0.54 0.00 0.00 0.00 173.10 173.30 1j5h s VAL 108 N -3.06 5.16 -0.23 1.40 0.11 -1.24 -4.77 120.40 117.76 1j5h s VAL 108 Ca 0.59 0.50 -0.28 0.00 -2.93 0.00 0.00 61.98 59.86 1j5h s VAL 108 Cb -0.11 -3.74 -0.04 0.00 -1.53 0.00 0.00 36.38 30.96 1j5h s VAL 108 CO 0.42 0.10 2.07 0.00 -3.33 0.00 0.00 175.10 174.36 1j5h s ALA 109 N 2.10 2.83 0.07 1.54 0.00 -1.26 -1.57 121.76 125.47 1j5h s ALA 109 Ca 0.15 0.66 0.06 0.00 0.00 0.00 0.00 51.96 52.84 1j5h s ALA 109 Cb -0.16 -4.04 -0.04 0.00 0.00 0.00 0.00 23.12 18.89 1j5h s ALA 109 CO 0.10 -2.66 -0.10 0.42 0.00 0.00 0.00 175.76 173.52 1j5h s ILE 110 N 7.63 3.37 -0.51 0.00 1.01 -0.83 -4.89 121.20 126.97 1j5h s ILE 110 Ca 0.93 -1.14 -0.17 0.00 0.00 0.00 0.00 60.65 60.28 1j5h s ILE 110 Cb -0.30 -2.53 0.09 0.00 0.01 0.00 0.00 42.46 39.72 1j5h s ILE 110 CO 0.35 0.21 0.50 -0.44 0.00 0.00 0.00 174.94 175.56 1j5h s SER 111 N -1.92 6.18 -0.08 3.58 0.01 -0.43 -4.28 113.70 116.76 1j5h s SER 111 Ca 0.20 -1.40 -0.24 0.00 1.31 0.00 0.00 55.95 55.83 1j5h s SER 111 Cb -0.11 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 1j5h s SER 111 CO 0.11 -0.81 0.71 -0.36 0.41 0.00 0.00 173.24 173.31 1j5h s PHE 112 N 1.93 3.55 0.00 2.43 0.40 -1.26 0.21 117.98 125.25 1j5h s PHE 112 Ca 0.07 1.24 0.00 0.00 -0.60 0.00 0.00 56.93 57.63 1j5h s PHE 112 Cb -0.25 -2.83 0.00 0.00 0.51 0.00 0.00 43.02 40.46 1j5h s PHE 112 CO 0.06 0.05 0.00 -1.71 0.70 0.00 0.00 175.22 174.32