#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 -0.74 -2.03 0.00 0.00 -2.02 -3.42 119.26 111.06 1j5h h ALA 2 Ca 0.00 -0.16 -0.57 0.00 0.00 0.00 0.00 54.91 54.19 1j5h h ALA 2 Cb 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1j5h h ALA 2 CO 0.00 -0.68 0.96 -1.25 0.00 0.00 0.00 179.25 178.28 1j5h s PRO 3 N -3.88 4.02 0.00 0.00 0.04 -1.26 -4.94 135.00 128.97 1j5h s PRO 3 Ca -0.10 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1j5h s PRO 3 Cb 0.01 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.70 1j5h s PRO 3 CO 0.31 -0.99 0.00 0.25 0.04 0.00 0.00 177.00 176.61 1j5h n THR 4 N 5.93 0.00 -2.59 1.26 -2.24 0.28 -4.67 114.28 112.25 1j5h n THR 4 Ca 0.15 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.70 1j5h n THR 4 Cb 0.46 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.76 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 3.77 0.02 6.98 0.00 -1.26 -0.02 121.76 129.25 1j5h s ALA 5 Ca 0.00 -1.52 -0.16 0.00 0.00 0.00 0.00 51.96 50.28 1j5h s ALA 5 Cb 0.00 -2.06 0.03 0.00 0.00 0.00 0.00 23.12 21.09 1j5h s ALA 5 CO 0.00 -1.14 0.35 0.95 0.00 0.00 0.00 175.76 175.93 1j5h s THR 6 N -2.98 0.06 -0.34 0.00 -4.23 0.14 -4.75 115.64 103.55 1j5h s THR 6 Ca 0.62 -0.52 -0.14 0.00 -1.18 0.00 0.00 61.69 60.47 1j5h s THR 6 Cb -0.08 -0.82 -0.01 0.00 1.34 0.00 0.00 72.50 72.93 1j5h s THR 6 CO 0.42 -0.28 0.33 -0.69 -0.54 0.00 0.00 174.62 173.85 1j5h s VAL 7 N -1.99 5.20 0.06 2.29 1.01 -1.26 -1.61 120.40 124.10 1j5h s VAL 7 Ca -0.09 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 1j5h s VAL 7 Cb -0.02 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1j5h s VAL 7 CO 0.01 -0.06 0.80 0.41 0.00 0.00 0.00 175.10 176.26 1j5h n THR 8 N 5.20 -0.24 0.00 3.92 -1.04 -0.46 -3.21 114.28 118.45 1j5h n THR 8 Ca -0.10 1.24 0.00 0.00 -2.04 0.00 0.00 64.05 63.15 1j5h n THR 8 Cb 0.50 -1.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 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 -3.85 0.00 -2.28 -2.82 -0.04 -1.26 -4.96 135.00 119.79 1j5h n PRO 9 Ca 0.01 0.06 -0.10 0.00 -0.04 0.00 0.00 63.50 63.43 1j5h n PRO 9 Cb 0.09 -0.69 -0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.69 -3.50 -3.65 3.54 2.88 -1.20 -4.98 113.62 106.03 1j5h n SER 10 Ca 0.00 -0.04 -0.02 0.00 -1.33 0.00 0.00 58.87 57.48 1j5h n SER 10 Cb 0.00 -2.68 -0.06 0.00 -0.75 0.00 0.00 64.21 60.71 1j5h n SER 10 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1j5h s SER 11 N -2.60 -0.37 -0.67 -3.46 1.04 -1.25 -1.61 113.70 104.77 1j5h s SER 11 Ca 0.03 0.61 -0.02 0.00 0.48 0.00 0.00 55.95 57.05 1j5h s SER 11 Cb -0.01 1.07 0.00 0.00 0.10 0.00 0.00 66.02 67.18 1j5h s SER 11 CO 0.04 -0.10 0.23 0.61 0.98 0.00 0.00 173.24 175.00 1j5h n GLY 12 N 3.29 0.15 0.00 7.32 0.00 -0.86 -4.92 105.19 110.17 1j5h n GLY 12 Ca -0.17 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.78 0.00 -3.60 0.99 4.77 -0.80 -4.84 117.00 111.74 1j5h n LEU 13 Ca -0.06 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.86 1j5h n LEU 13 Cb 0.55 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.63 1j5h n LEU 13 CO 0.19 0.00 0.70 -0.55 -1.33 0.00 0.00 177.39 176.40 1j5h s SER 14 N -1.00 -0.29 -0.87 -1.43 0.15 -1.26 -2.16 113.70 106.84 1j5h s SER 14 Ca 0.00 -0.16 -0.26 0.00 0.70 0.00 0.00 55.95 56.23 1j5h s SER 14 Cb 0.00 0.43 -0.15 0.00 -1.71 0.00 0.00 66.02 64.59 1j5h s SER 14 CO 0.00 -0.74 2.30 1.51 1.20 0.00 0.00 173.24 177.52 1j5h s ASP 15 N -2.67 3.92 0.00 5.45 -4.77 -1.26 -0.54 116.67 116.80 1j5h s ASP 15 Ca 0.08 -0.26 0.00 0.00 -3.30 0.00 0.00 52.55 49.07 1j5h s ASP 15 Cb -0.01 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 1j5h s ASP 15 CO -0.05 -3.96 0.00 0.61 0.70 0.00 0.00 175.17 172.47 1j5h n GLY 16 N 6.67 1.56 3.48 2.12 0.00 -1.12 -4.60 105.19 113.30 1j5h n GLY 16 Ca 0.45 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.04 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 4.34 -0.72 2.61 2.01 0.30 -4.76 115.64 117.42 1j5h s THR 17 Ca 0.00 -0.79 -0.26 0.00 0.31 0.00 0.00 61.69 60.94 1j5h s THR 17 Cb 0.00 -4.81 0.01 0.00 0.01 0.00 0.00 72.50 67.71 1j5h s THR 17 CO 0.00 -1.60 1.54 -0.69 -0.69 0.00 0.00 174.62 173.18 1j5h s VAL 18 N 3.89 3.59 0.47 3.82 1.01 -1.26 -1.62 120.40 130.30 1j5h s VAL 18 Ca 0.31 0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.55 1j5h s VAL 18 Cb -0.09 -4.52 -0.03 0.00 0.00 0.00 0.00 36.38 31.74 1j5h s VAL 18 CO 0.00 -1.47 0.15 0.68 0.00 0.00 0.00 175.10 174.46 1j5h s VAL 19 N 7.14 1.79 0.47 2.92 -7.23 -0.61 -4.85 120.40 120.03 1j5h s VAL 19 Ca 0.49 -1.78 -0.22 0.00 -1.81 0.00 0.00 61.98 58.67 1j5h s VAL 19 Cb -0.09 -2.58 -0.08 0.00 0.56 0.00 0.00 36.38 34.20 1j5h s VAL 19 CO 0.14 0.00 1.09 -0.54 -0.31 0.00 0.00 175.10 175.48 1j5h s LYS 20 N -3.95 3.80 -0.06 4.82 1.02 -1.26 0.11 119.74 124.21 1j5h s LYS 20 Ca 0.28 1.54 -0.07 0.00 0.02 0.00 0.00 55.97 57.75 1j5h s LYS 20 Cb 0.03 -2.26 0.02 0.00 -0.52 0.00 0.00 37.83 35.09 1j5h s LYS 20 CO 0.16 -0.46 0.18 0.08 -0.92 0.00 0.00 175.35 174.39 1j5h s VAL 21 N -1.76 0.01 0.08 3.17 1.01 0.47 -1.35 120.40 122.02 1j5h s VAL 21 Ca 0.65 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.60 1j5h s VAL 21 Cb -0.22 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1j5h s VAL 21 CO 0.26 -0.02 -0.06 0.00 0.00 0.00 0.00 175.10 175.28 1j5h s ALA 22 N -0.00 0.81 0.00 5.51 0.00 -0.63 -0.16 121.76 127.29 1j5h s ALA 22 Ca -0.01 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1j5h s ALA 22 Cb -0.02 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.25 1j5h s ALA 22 CO 0.00 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1j5h n GLY 23 N 0.34 -2.33 0.00 0.00 0.00 0.16 0.25 105.19 103.61 1j5h n GLY 23 Ca -0.15 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.79 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 0.24 0.00 0.10 4.61 0.00 0.97 -1.60 120.51 124.82 1j5h n ALA 24 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1j5h n ALA 24 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.37 3.68 0.00 0.00 -1.26 0.10 105.19 107.34 1j5h n GLY 25 Ca 0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.30 -2.76 0.00 0.99 7.94 -1.15 -4.83 117.00 115.89 1j5h n LEU 26 Ca 0.01 -0.89 0.00 0.00 -1.11 0.00 0.00 56.01 54.02 1j5h n LEU 26 Cb 0.02 -2.17 0.00 0.00 0.53 0.00 0.00 43.42 41.80 1j5h n LEU 26 CO 0.02 0.24 0.00 0.00 -1.11 0.00 0.00 177.39 176.54 1j5h n GLN 27 N -3.43 0.00 0.00 1.96 6.02 -0.70 -4.63 117.38 116.60 1j5h n GLN 27 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 1j5h n GLN 27 Cb 0.61 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.87 1j5h n GLN 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1j5h n ALA 28 N -3.00 0.00 -1.45 -1.58 0.00 -1.26 -3.15 120.51 110.07 1j5h n ALA 28 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 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 0.71 3.97 0.00 0.00 -1.26 -4.86 105.19 103.75 1j5h n GLY 29 Ca 0.00 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.29 2.30 0.16 2.61 2.01 -1.26 -4.68 115.64 114.48 1j5h s THR 30 Ca 0.00 -0.50 -0.07 0.00 0.31 0.00 0.00 61.69 61.42 1j5h s THR 30 Cb 0.00 -2.80 -0.06 0.00 0.01 0.00 0.00 72.50 69.65 1j5h s THR 30 CO 0.00 0.00 0.44 0.00 -0.69 0.00 0.00 174.62 174.37 1j5h s ALA 31 N -3.12 3.70 -0.43 7.40 0.00 -1.26 -1.56 121.76 126.49 1j5h s ALA 31 Ca 0.63 -0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.21 1j5h s ALA 31 Cb -0.08 -2.26 0.18 0.00 0.00 0.00 0.00 23.12 20.96 1j5h s ALA 31 CO 0.43 0.60 0.44 0.66 0.00 0.00 0.00 175.76 177.89 1j5h n TYR 32 N 0.16 -1.46 -1.63 0.00 4.01 0.99 -4.77 117.16 114.46 1j5h n TYR 32 Ca -0.02 -2.95 -0.52 0.00 -0.16 0.00 0.00 57.90 54.25 1j5h n TYR 32 Cb 0.52 0.46 -0.06 0.00 -0.31 0.00 0.00 39.34 39.95 1j5h n TYR 32 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1j5h n ASP 33 N 2.69 2.09 -4.54 7.72 8.00 0.36 -1.82 116.55 131.05 1j5h n ASP 33 Ca 0.27 1.10 -0.40 0.00 0.71 0.00 0.00 54.79 56.46 1j5h n ASP 33 Cb 0.50 -1.23 0.02 0.00 -0.02 0.00 0.00 41.12 40.40 1j5h n ASP 33 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1j5h n VAL 34 N 3.16 2.47 0.00 2.53 0.31 0.27 0.49 118.33 127.55 1j5h n VAL 34 Ca 0.20 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1j5h n VAL 34 Cb 0.20 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 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 1.49 0.42 1.38 2.92 0.00 -0.42 -4.51 105.19 106.47 1j5h n GLY 35 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.03 -4.38 1.61 7.27 -1.20 -4.32 117.38 114.33 1j5h n GLN 36 Ca 0.00 1.77 -0.26 0.00 0.07 0.00 0.00 57.00 58.59 1j5h n GLN 36 Cb 0.00 -1.96 -0.07 0.00 2.41 0.00 0.00 30.24 30.62 1j5h n GLN 36 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1j5h s ALA 38 N -3.05 -0.25 -0.09 0.00 0.00 0.21 -0.21 121.76 118.36 1j5h s ALA 38 Ca 0.18 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1j5h s ALA 38 Cb 0.01 0.89 -0.03 0.00 0.00 0.00 0.00 23.12 23.99 1j5h s ALA 38 CO 0.13 -0.92 -0.08 -0.46 0.00 0.00 0.00 175.76 174.43 1j5h s TRP 39 N -2.86 2.91 0.00 0.00 -0.11 -1.25 -0.33 118.94 117.29 1j5h s TRP 39 Ca 0.21 -0.17 0.00 0.00 1.22 0.00 0.00 56.10 57.35 1j5h s TRP 39 Cb -0.03 -1.78 0.00 0.00 -1.50 0.00 0.00 33.47 30.16 1j5h s TRP 39 CO 0.14 0.15 0.00 0.28 -4.62 0.00 0.00 176.95 172.90 1j5h n VAL 40 N 2.72 0.00 -2.13 5.86 0.31 -0.48 -4.56 118.33 120.05 1j5h n VAL 40 Ca -0.18 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.14 1j5h n VAL 40 Cb 0.53 -0.39 0.01 0.00 -0.91 0.00 0.00 33.84 33.07 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 -0.39 0.00 4.52 4.64 -1.26 -4.85 116.55 119.21 1j5h n ASP 41 Ca 0.00 -1.02 0.00 0.00 -1.38 0.00 0.00 54.79 52.39 1j5h n ASP 41 Cb 0.00 0.16 0.00 0.00 -1.04 0.00 0.00 41.12 40.24 1j5h n ASP 41 CO 0.00 0.00 0.00 0.41 -0.82 0.00 0.00 177.20 176.79 1j5h n THR 42 N -0.26 0.00 -2.64 5.18 -1.04 -1.26 -4.95 114.28 109.32 1j5h n THR 42 Ca -0.07 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.82 1j5h n THR 42 Cb 0.51 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.00 1j5h n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j5h n GLY 43 N 0.00 -0.33 3.29 3.41 0.00 -1.26 -4.83 105.19 105.46 1j5h n GLY 43 Ca 0.00 0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.91 1.85 -0.16 1.61 1.01 -1.26 -5.08 120.40 116.46 1j5h s VAL 44 Ca 0.24 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1j5h s VAL 44 Cb -0.14 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.67 1j5h s VAL 44 CO 0.29 0.28 -0.17 -0.22 0.00 0.00 0.00 175.10 175.29 1j5h s LEU 45 N -1.16 1.92 -0.36 3.92 0.20 -1.26 -1.38 118.68 120.55 1j5h s LEU 45 Ca 0.09 -0.57 -0.10 0.00 0.69 0.00 0.00 54.13 54.25 1j5h s LEU 45 Cb -0.09 -1.33 0.03 0.00 -0.43 0.00 0.00 46.19 44.36 1j5h s LEU 45 CO 0.02 -0.02 0.17 0.00 -0.29 0.00 0.00 176.35 176.23 1j5h s ALA 46 N 1.36 3.21 0.91 5.97 0.00 0.54 -4.26 121.76 129.50 1j5h s ALA 46 Ca 0.04 -1.70 -0.14 0.00 0.00 0.00 0.00 51.96 50.16 1j5h s ALA 46 Cb -0.13 -2.48 0.15 0.00 0.00 0.00 0.00 23.12 20.66 1j5h s ALA 46 CO -0.11 -1.33 1.22 0.00 0.00 0.00 0.00 175.76 175.54 1j5h n ASN 48 N -3.68 3.66 -1.62 0.00 2.85 0.19 0.37 115.26 117.04 1j5h n ASN 48 Ca 0.11 -3.39 0.00 0.00 -0.11 0.00 0.00 54.58 51.19 1j5h n ASN 48 Cb 0.60 -0.71 0.00 0.00 1.24 0.00 0.00 39.78 40.91 1j5h n ASN 48 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1j5h n PRO 49 N 1.14 0.75 0.00 1.20 -0.04 -1.26 -2.37 135.00 134.42 1j5h n PRO 49 Ca 0.27 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1j5h n PRO 49 Cb 0.39 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 1.62 1.41 -0.10 0.55 0.00 -1.26 -4.81 120.51 117.91 1j5h n ALA 50 Ca 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 53.44 53.09 1j5h n ALA 50 Cb 0.38 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.74 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 -1.74 0.00 0.00 2.03 -1.70 -3.44 116.42 111.57 1j5h h ASP 51 Ca 0.00 0.23 0.00 0.00 -0.73 0.00 0.00 57.03 56.53 1j5h h ASP 51 Cb 0.15 0.71 0.00 0.00 -0.83 0.00 0.00 39.33 39.36 1j5h h ASP 51 CO 0.00 -0.42 0.00 0.33 -1.03 0.00 0.00 179.24 178.12 1j5h n PHE 52 N -5.40 0.00 -1.91 4.15 -0.00 -1.26 -4.95 117.46 108.08 1j5h n PHE 52 Ca -0.04 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.12 1j5h n PHE 52 Cb 0.36 -0.50 0.06 0.00 -0.00 0.00 0.00 39.48 39.39 1j5h n PHE 52 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 1j5h s SER 53 N -2.97 5.25 -0.17 -2.13 0.01 -1.26 -4.90 113.70 107.53 1j5h s SER 53 Ca 0.00 1.03 -0.15 0.00 1.31 0.00 0.00 55.95 58.14 1j5h s SER 53 Cb 0.00 -1.77 0.04 0.00 0.21 0.00 0.00 66.02 64.50 1j5h s SER 53 CO 0.00 -1.45 0.45 -0.94 0.41 0.00 0.00 173.24 171.71 1j5h s SER 54 N -4.41 -0.47 0.20 2.44 1.04 -1.26 0.95 113.70 112.18 1j5h s SER 54 Ca 0.59 0.90 0.10 0.00 0.48 0.00 0.00 55.95 58.02 1j5h s SER 54 Cb -0.11 0.91 -0.04 0.00 0.10 0.00 0.00 66.02 66.88 1j5h s SER 54 CO 0.51 -0.16 -0.20 0.54 0.98 0.00 0.00 173.24 174.91 1j5h s VAL 55 N 0.26 2.12 -0.05 5.02 0.11 -0.76 -4.84 120.40 122.26 1j5h s VAL 55 Ca -0.00 -2.05 0.04 0.00 -2.93 0.00 0.00 61.98 57.03 1j5h s VAL 55 Cb -0.03 -2.03 -0.03 0.00 -1.53 0.00 0.00 36.38 32.76 1j5h s VAL 55 CO 0.00 -0.27 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.47 1j5h s THR 56 N -2.03 3.03 1.00 5.04 2.01 -1.26 -0.01 115.64 123.43 1j5h s THR 56 Ca 0.20 -0.74 -0.17 0.00 0.31 0.00 0.00 61.69 61.30 1j5h s THR 56 Cb -0.06 -2.18 0.26 0.00 0.01 0.00 0.00 72.50 70.53 1j5h s THR 56 CO 0.09 0.59 0.59 0.00 -0.69 0.00 0.00 174.62 175.20 1j5h n ALA 57 N 2.33 -3.58 -3.60 7.40 0.00 -0.60 -3.04 120.51 119.41 1j5h n ALA 57 Ca -0.17 -1.04 -0.14 0.00 0.00 0.00 0.00 53.44 52.09 1j5h n ALA 57 Cb 0.52 -0.09 -0.15 0.00 0.00 0.00 0.00 19.45 19.73 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 -2.74 -0.05 0.00 0.00 1.47 0.70 -4.54 116.67 111.51 1j5h s ASP 58 Ca 0.45 0.20 0.00 0.00 1.18 0.00 0.00 52.55 54.39 1j5h s ASP 58 Cb -0.08 0.11 0.00 0.00 -0.34 0.00 0.00 42.92 42.61 1j5h s ASP 58 CO 0.38 -0.12 0.00 0.00 0.68 0.00 0.00 175.17 176.11 1j5h n ALA 59 N 3.98 0.00 0.00 2.11 0.00 -1.26 -0.09 120.51 125.24 1j5h n ALA 59 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1j5h n ALA 59 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -4.87 115.26 114.28 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 1.58 3.72 8.20 0.00 0.87 -4.09 105.19 115.46 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 -0.56 0.00 0.00 0.00 173.32 172.76 1j5h s SER 62 N -1.59 6.89 0.70 1.61 0.01 -1.21 -1.72 113.70 118.38 1j5h s SER 62 Ca 0.00 2.26 -0.11 0.00 1.31 0.00 0.00 55.95 59.41 1j5h s SER 62 Cb 0.00 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.65 1j5h s SER 62 CO 0.00 -0.60 1.08 0.00 0.41 0.00 0.00 173.24 174.13 1j5h s ALA 63 N 0.98 2.84 -0.30 1.44 0.00 -0.63 0.25 121.76 126.34 1j5h s ALA 63 Ca 0.62 -0.22 -0.07 0.00 0.00 0.00 0.00 51.96 52.29 1j5h s ALA 63 Cb -0.35 -3.06 0.18 0.00 0.00 0.00 0.00 23.12 19.88 1j5h s ALA 63 CO 0.31 -1.11 0.78 -1.54 0.00 0.00 0.00 175.76 174.19 1j5h s SER 64 N -4.20 -1.00 0.00 0.00 1.04 -1.17 -0.67 113.70 107.70 1j5h s SER 64 Ca 0.58 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.79 1j5h s SER 64 Cb -0.12 1.90 0.00 0.00 0.10 0.00 0.00 66.02 67.91 1j5h s SER 64 CO 0.53 -0.19 0.00 1.07 0.98 0.00 0.00 173.24 175.63 1j5h n THR 65 N 5.39 0.00 -3.05 2.02 5.66 0.78 -4.66 114.28 120.43 1j5h n THR 65 Ca -0.05 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.54 1j5h n THR 65 Cb 0.52 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 6.53 0.10 1.09 1.04 -1.26 0.18 113.70 121.38 1j5h s SER 66 Ca 0.00 0.42 0.02 0.00 0.48 0.00 0.00 55.95 56.86 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 -0.58 0.19 -0.76 0.98 0.00 0.00 173.24 173.07 1j5h s LEU 67 N 2.79 4.16 -0.78 2.42 1.02 0.12 -4.84 118.68 123.56 1j5h s LEU 67 Ca 0.28 0.13 -0.23 0.00 0.02 0.00 0.00 54.13 54.33 1j5h s LEU 67 Cb -0.14 -2.77 0.07 0.00 0.02 0.00 0.00 46.19 43.36 1j5h s LEU 67 CO 0.13 0.13 1.14 0.28 0.02 0.00 0.00 176.35 178.05 1j5h s THR 68 N -1.57 4.20 -1.26 5.49 -1.32 -1.26 -1.58 115.64 118.34 1j5h s THR 68 Ca 0.33 -0.47 -0.13 0.00 -1.21 0.00 0.00 61.69 60.21 1j5h s THR 68 Cb -0.12 -4.81 -0.05 0.00 -1.51 0.00 0.00 72.50 66.01 1j5h s THR 68 CO 0.26 -1.63 2.34 0.52 -2.21 0.00 0.00 174.62 173.90 1j5h n VAL 69 N 6.09 3.16 -2.13 5.08 0.31 -0.64 -4.85 118.33 125.35 1j5h n VAL 69 Ca 0.08 -2.31 -0.36 0.00 -0.01 0.00 0.00 64.34 61.74 1j5h n VAL 69 Cb 0.48 -2.46 0.01 0.00 -0.91 0.00 0.00 33.84 30.96 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 3.33 3.37 0.00 5.55 1.70 -1.26 -2.60 118.95 129.04 1j5h s ARG 70 Ca 0.54 1.81 0.00 0.00 -0.47 0.00 0.00 55.73 57.60 1j5h s ARG 70 Cb 0.14 -2.16 0.00 0.00 -0.57 0.00 0.00 34.95 32.37 1j5h s ARG 70 CO -0.03 -0.88 0.00 -2.13 -1.08 0.00 0.00 175.30 171.18 1j5h n ARG 71 N -1.06 0.00 -1.92 3.89 0.63 -1.26 -4.67 116.66 112.27 1j5h n ARG 71 Ca 0.10 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.65 1j5h n ARG 71 Cb 0.49 -0.03 -0.03 0.00 0.45 0.00 0.00 32.46 33.34 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 -2.89 5.21 0.20 6.15 0.15 -1.26 -1.73 113.70 119.52 1j5h s SER 72 Ca 0.00 0.72 -0.15 0.00 0.70 0.00 0.00 55.95 57.22 1j5h s SER 72 Cb 0.00 -2.52 0.05 0.00 -1.71 0.00 0.00 66.02 61.84 1j5h s SER 72 CO 0.00 -2.35 0.73 2.22 1.20 0.00 0.00 173.24 175.03 1j5h n PHE 73 N 12.96 -1.49 -4.01 3.44 1.16 -0.59 -4.92 117.46 124.01 1j5h n PHE 73 Ca 0.25 -1.14 -0.31 0.00 -1.87 0.00 0.00 57.45 54.38 1j5h n PHE 73 Cb 0.51 0.56 -0.16 0.00 -1.61 0.00 0.00 39.48 38.79 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 -2.05 2.09 0.00 3.97 -1.05 -1.24 -0.70 118.70 119.72 1j5h s GLU 74 Ca 0.16 -0.91 0.00 0.00 -0.15 0.00 0.00 54.97 54.06 1j5h s GLU 74 Cb -0.03 -2.49 0.00 0.00 -0.44 0.00 0.00 34.13 31.17 1j5h s GLU 74 CO 0.06 -0.44 0.00 0.41 0.95 0.00 0.00 175.26 176.24 1j5h n GLY 75 N 4.65 0.03 2.99 -3.83 0.00 -1.25 -4.73 105.19 103.05 1j5h n GLY 75 Ca -0.15 -1.81 -0.19 0.00 0.00 0.00 0.00 46.02 43.87 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 0.08 0.82 0.16 1.61 0.40 0.16 0.53 117.98 121.74 1j5h s PHE 76 Ca 0.00 -0.18 -0.29 0.00 -0.60 0.00 0.00 56.93 55.86 1j5h s PHE 76 Cb 0.00 -0.58 -0.05 0.00 0.51 0.00 0.00 43.02 42.90 1j5h s PHE 76 CO 0.00 -0.06 1.47 1.28 0.70 0.00 0.00 175.22 178.60 1j5h n LEU 77 N 3.16 -0.99 0.00 -0.37 7.99 0.18 -0.69 117.00 126.28 1j5h n LEU 77 Ca -0.16 1.69 0.00 0.00 -0.01 0.00 0.00 56.01 57.53 1j5h n LEU 77 Cb 0.55 -0.23 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 1j5h n LEU 77 CO 0.25 -1.39 0.00 0.33 -1.51 0.00 0.00 177.39 175.07 1j5h n PHE 78 N -5.20 0.00 -0.08 -1.77 7.35 -1.26 -4.34 117.46 112.16 1j5h n PHE 78 Ca 0.02 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.63 1j5h n PHE 78 Cb 0.25 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 39.93 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 0.23 0.00 -2.13 4.64 -1.26 -4.96 116.55 113.07 1j5h n ASP 79 Ca 0.00 0.11 0.00 0.00 -1.38 0.00 0.00 54.79 53.52 1j5h n ASP 79 Cb 0.00 0.75 0.00 0.00 -1.04 0.00 0.00 41.12 40.83 1j5h n ASP 79 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1j5h n GLY 80 N 1.68 0.37 3.76 0.27 0.00 -1.26 -5.13 105.19 104.87 1j5h n GLY 80 Ca -0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 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 2.22 0.82 2.61 2.01 -1.26 -4.83 115.64 117.21 1j5h s THR 81 Ca 0.00 0.20 -0.11 0.00 0.31 0.00 0.00 61.69 62.08 1j5h s THR 81 Cb 0.00 -3.13 0.08 0.00 0.01 0.00 0.00 72.50 69.47 1j5h s THR 81 CO 0.00 0.04 1.09 0.00 -0.69 0.00 0.00 174.62 175.06 1j5h s ARG 82 N -0.83 1.91 0.00 4.92 3.03 -1.26 0.50 118.95 127.23 1j5h s ARG 82 Ca 0.60 0.72 0.00 0.00 2.03 0.00 0.00 55.73 59.08 1j5h s ARG 82 Cb -0.46 -1.89 0.00 0.00 -1.03 0.00 0.00 34.95 31.57 1j5h s ARG 82 CO 0.50 -1.76 0.00 1.87 -1.13 0.00 0.00 175.30 174.78 1j5h n TRP 83 N -3.54 0.00 0.00 5.89 -0.00 0.19 -4.38 117.44 115.59 1j5h n TRP 83 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.57 1j5h n TRP 83 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.87 1j5h n TRP 83 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1j5h n GLY 84 N 3.24 3.38 3.28 5.87 0.00 -1.26 -4.93 105.19 114.78 1j5h n GLY 84 Ca 0.00 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.80 1.63 -4.05 2.61 5.66 -1.24 -3.61 114.28 114.48 1j5h n THR 85 Ca 0.00 -1.52 -0.22 0.00 -3.05 0.00 0.00 64.05 59.26 1j5h n THR 85 Cb 0.00 -2.24 -0.05 0.00 -1.55 0.00 0.00 70.33 66.49 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 7.17 3.42 -0.54 1.08 0.11 0.12 -4.68 120.40 127.07 1j5h s VAL 86 Ca 0.62 -1.60 -0.28 0.00 -2.93 0.00 0.00 61.98 57.79 1j5h s VAL 86 Cb 0.10 -3.07 0.02 0.00 -1.53 0.00 0.00 36.38 31.89 1j5h s VAL 86 CO 0.15 -0.23 1.35 -1.81 -3.33 0.00 0.00 175.10 171.22 1j5h s ASP 87 N -3.86 6.25 0.47 3.54 -0.00 -1.26 -1.55 116.67 120.26 1j5h s ASP 87 Ca 0.37 0.32 0.34 0.00 -0.00 0.00 0.00 52.55 53.58 1j5h s ASP 87 Cb -0.05 -2.55 1.48 0.00 -0.00 0.00 0.00 42.92 41.81 1j5h s ASP 87 CO 0.24 -1.60 1.65 0.00 -0.00 0.00 0.00 175.17 175.46 1j5h h THR 89 N 0.08 0.30 0.00 0.00 2.02 -1.83 1.95 112.91 115.44 1j5h h THR 89 Ca 0.79 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.90 1j5h h THR 89 Cb 2.69 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 69.59 1j5h h THR 89 CO -0.26 0.00 -0.32 0.74 0.37 0.00 0.00 175.52 176.05 1j5h h THR 90 N 0.00 0.66 0.00 3.16 2.02 0.33 -3.16 112.91 115.92 1j5h h THR 90 Ca 0.28 -1.50 -0.05 0.00 0.77 0.00 0.00 66.41 65.91 1j5h h THR 90 Cb 1.52 2.00 -0.11 0.00 -1.74 0.00 0.00 68.15 69.82 1j5h h THR 90 CO -0.00 0.31 -0.58 0.00 0.37 0.00 0.00 175.52 175.62 1j5h n ALA 91 N -2.23 2.97 -3.77 6.16 0.00 0.58 -5.00 120.51 119.23 1j5h n ALA 91 Ca 0.01 -2.76 -0.11 0.00 0.00 0.00 0.00 53.44 50.57 1j5h n ALA 91 Cb 0.54 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.63 -1.38 -0.60 0.00 0.00 0.31 -3.91 120.51 114.30 1j5h n ALA 92 Ca 0.13 -0.15 -0.18 0.00 0.00 0.00 0.00 53.44 53.25 1j5h n ALA 92 Cb 0.81 -0.60 0.12 0.00 0.00 0.00 0.00 19.45 19.79 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 -3.18 0.81 -0.18 0.00 0.00 0.71 -2.05 119.66 115.76 1j5h s GLN 94 Ca 0.33 -1.32 0.00 0.00 -0.00 0.00 0.00 55.36 54.38 1j5h s GLN 94 Cb -0.05 -0.16 0.04 0.00 0.00 0.00 0.00 33.01 32.84 1j5h s GLN 94 CO 0.34 -0.03 -0.10 0.08 0.00 0.00 0.00 175.29 175.58 1j5h s VAL 95 N -3.63 1.50 0.04 3.63 1.01 -0.80 -1.02 120.40 121.12 1j5h s VAL 95 Ca 0.11 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.27 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 -0.05 0.23 0.03 0.61 0.00 0.00 0.00 175.10 175.91 1j5h n GLY 96 N 4.75 3.95 3.65 4.51 0.00 -1.23 -4.55 105.19 116.27 1j5h n GLY 96 Ca -0.14 -1.81 -0.28 0.00 0.00 0.00 0.00 46.02 43.79 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 3.28 -0.07 0.99 2.01 -1.26 -1.30 118.68 122.33 1j5h s LEU 97 Ca 0.04 -0.34 0.01 0.00 0.01 0.00 0.00 54.13 53.84 1j5h s LEU 97 Cb 0.00 -1.99 0.02 0.00 0.01 0.00 0.00 46.19 44.24 1j5h s LEU 97 CO 0.03 0.13 -0.07 -0.94 1.01 0.00 0.00 176.35 176.51 1j5h s SER 98 N -2.60 1.50 0.37 2.29 1.04 0.18 -4.69 113.70 111.79 1j5h s SER 98 Ca 0.25 -0.20 0.03 0.00 0.48 0.00 0.00 55.95 56.51 1j5h s SER 98 Cb -0.10 -0.63 0.05 0.00 0.10 0.00 0.00 66.02 65.44 1j5h s SER 98 CO 0.17 -0.06 0.40 -0.90 0.98 0.00 0.00 173.24 173.83 1j5h n ASP 99 N 4.30 0.84 -1.73 7.02 5.68 -1.26 -0.49 116.55 130.90 1j5h n ASP 99 Ca -0.20 -1.64 -0.13 0.00 -0.50 0.00 0.00 54.79 52.32 1j5h n ASP 99 Cb 0.51 -0.23 0.05 0.00 -1.14 0.00 0.00 41.12 40.31 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 -2.79 4.57 0.08 2.12 0.00 -1.26 -2.49 120.51 120.74 1j5h n ALA 100 Ca -0.07 -1.41 0.00 0.00 0.00 0.00 0.00 53.44 51.96 1j5h n ALA 100 Cb 0.27 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 0.19 0.00 0.71 0.00 0.00 -1.26 -4.91 120.51 115.24 1j5h n ALA 101 Ca 0.27 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.84 1j5h n ALA 101 Cb 0.74 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.67 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 -1.30 -1.54 2.68 0.00 0.00 -1.26 -4.90 105.19 98.88 1j5h n GLY 102 Ca 0.00 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1j5h n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1j5h n ASN 103 N -1.95 -4.83 0.00 1.61 0.23 -1.04 -4.58 115.26 104.70 1j5h n ASN 103 Ca 0.05 0.26 0.00 0.00 -0.53 0.00 0.00 54.58 54.36 1j5h n ASN 103 Cb 0.36 -0.69 0.00 0.00 -2.08 0.00 0.00 39.78 37.37 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 2.87 0.12 3.64 4.83 0.00 -1.26 -4.88 105.19 110.50 1j5h n GLY 104 Ca 0.00 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.13 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 3.99 0.00 1.61 0.04 -1.26 -4.83 135.00 134.55 1j5h s PRO 105 Ca 0.00 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1j5h s PRO 105 Cb 0.00 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.67 1j5h s PRO 105 CO 0.00 -1.02 0.00 0.39 0.04 0.00 0.00 177.00 176.41 1j5h n GLU 106 N 7.16 0.00 0.00 4.56 -0.58 -1.26 -5.08 120.64 125.43 1j5h n GLU 106 Ca 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 1j5h n GLU 106 Cb 0.46 -0.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.89 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 1.72 0.54 1.32 0.62 0.00 -1.26 -4.96 105.19 103.17 1j5h n GLY 107 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.85 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 1.34 -1.01 -1.82 1.61 0.31 -1.26 -2.76 118.33 114.74 1j5h n VAL 108 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 1j5h n VAL 108 Cb 0.00 -3.15 -0.03 0.00 -0.91 0.00 0.00 33.84 29.75 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 -2.58 2.95 -0.02 3.52 0.00 -1.26 -1.90 121.76 122.47 1j5h s ALA 109 Ca 0.00 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 52.58 1j5h s ALA 109 Cb 0.00 -4.00 -0.04 0.00 0.00 0.00 0.00 23.12 19.09 1j5h s ALA 109 CO 0.00 -2.48 0.09 0.42 0.00 0.00 0.00 175.76 173.79 1j5h s ILE 110 N 6.97 4.82 -0.64 0.00 1.09 -0.87 -4.96 121.20 127.61 1j5h s ILE 110 Ca 0.88 -0.33 -0.23 0.00 -1.10 0.00 0.00 60.65 59.87 1j5h s ILE 110 Cb -0.29 -3.19 0.06 0.00 -1.06 0.00 0.00 42.46 37.98 1j5h s ILE 110 CO 0.34 0.38 0.96 -0.55 -0.10 0.00 0.00 174.94 175.98 1j5h s SER 111 N -1.65 6.20 -0.01 3.58 0.15 -0.63 -4.44 113.70 116.88 1j5h s SER 111 Ca 0.22 -0.89 -0.18 0.00 0.70 0.00 0.00 55.95 55.81 1j5h s SER 111 Cb -0.12 -2.42 -0.05 0.00 -1.71 0.00 0.00 66.02 61.71 1j5h s SER 111 CO 0.13 -1.41 0.49 -0.36 1.20 0.00 0.00 173.24 173.29 1j5h s PHE 112 N 4.06 3.68 0.00 3.44 0.40 -1.26 -1.91 117.98 126.40 1j5h s PHE 112 Ca 0.23 1.06 0.00 0.00 -0.60 0.00 0.00 56.93 57.63 1j5h s PHE 112 Cb -0.16 -2.46 0.00 0.00 0.51 0.00 0.00 43.02 40.91 1j5h s PHE 112 CO 0.12 0.46 0.00 -1.71 0.70 0.00 0.00 175.22 174.78