#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 0.77 -2.31 0.00 0.00 -1.26 -5.08 120.51 112.63 1j5h n ALA 2 Ca 0.00 -2.54 -0.40 0.00 0.00 0.00 0.00 53.44 50.49 1j5h n ALA 2 Cb 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 1j5h n ALA 2 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j5h s PRO 3 N -1.15 3.01 -0.29 0.00 0.04 -1.26 -4.73 135.00 130.62 1j5h s PRO 3 Ca 0.32 0.29 -0.29 0.00 0.04 0.00 0.00 61.00 61.36 1j5h s PRO 3 Cb 0.31 -4.24 0.20 0.00 0.04 0.00 0.00 34.50 30.80 1j5h s PRO 3 CO -0.08 -2.30 1.38 0.95 0.04 0.00 0.00 177.00 176.98 1j5h s THR 4 N 7.08 0.00 0.12 1.26 -4.23 0.50 -4.52 115.64 115.85 1j5h s THR 4 Ca 0.52 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 61.07 1j5h s THR 4 Cb -0.11 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.69 1j5h s THR 4 CO 0.20 0.00 0.10 0.00 -0.54 0.00 0.00 174.62 174.38 1j5h s ALA 5 N -1.03 3.56 0.10 3.99 0.00 -1.26 0.35 121.76 127.47 1j5h s ALA 5 Ca 0.09 -1.11 -0.11 0.00 0.00 0.00 0.00 51.96 50.83 1j5h s ALA 5 Cb -0.01 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.73 1j5h s ALA 5 CO -0.08 0.63 0.27 0.95 0.00 0.00 0.00 175.76 177.53 1j5h s THR 6 N -1.56 0.11 -0.34 0.00 -4.23 -0.15 -4.23 115.64 105.24 1j5h s THR 6 Ca 0.30 -0.94 -0.26 0.00 -1.18 0.00 0.00 61.69 59.60 1j5h s THR 6 Cb -0.11 -1.26 0.01 0.00 1.34 0.00 0.00 72.50 72.48 1j5h s THR 6 CO 0.22 -0.52 0.93 -0.69 -0.54 0.00 0.00 174.62 174.03 1j5h s VAL 7 N -3.81 4.61 0.11 2.29 1.01 -1.26 -1.88 120.40 121.47 1j5h s VAL 7 Ca 0.04 1.33 -0.22 0.00 0.00 0.00 0.00 61.98 63.13 1j5h s VAL 7 Cb 0.04 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 1j5h s VAL 7 CO -0.11 -0.46 1.23 0.41 0.00 0.00 0.00 175.10 176.17 1j5h n THR 8 N 5.86 -0.47 0.00 3.92 -1.04 -0.18 -3.83 114.28 118.54 1j5h n THR 8 Ca 0.08 1.93 0.00 0.00 -2.04 0.00 0.00 64.05 64.01 1j5h n THR 8 Cb 0.48 -2.41 0.00 0.00 -1.82 0.00 0.00 70.33 66.58 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 -4.65 0.00 -2.89 -2.82 -0.04 -1.26 -4.97 135.00 118.37 1j5h n PRO 9 Ca 0.01 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.39 1j5h n PRO 9 Cb 0.18 -0.10 0.03 0.00 -0.04 0.00 0.00 33.50 33.57 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 0.00 -3.54 -3.69 3.54 3.41 -1.25 -4.97 113.62 107.12 1j5h n SER 10 Ca 0.00 -0.21 -0.11 0.00 -0.26 0.00 0.00 58.87 58.29 1j5h n SER 10 Cb 0.00 -2.22 -0.10 0.00 -0.26 0.00 0.00 64.21 61.63 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 -3.15 -0.58 -1.70 4.04 1.04 -1.26 -1.80 113.70 110.29 1j5h s SER 11 Ca 0.21 1.03 -0.13 0.00 0.48 0.00 0.00 55.95 57.53 1j5h s SER 11 Cb -0.09 0.95 0.13 0.00 0.10 0.00 0.00 66.02 67.11 1j5h s SER 11 CO 0.28 -0.19 0.44 0.61 0.98 0.00 0.00 173.24 175.36 1j5h n GLY 12 N 3.74 -0.31 0.00 7.32 0.00 -1.06 -4.92 105.19 109.97 1j5h n GLY 12 Ca -0.19 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.32 0.00 -4.06 0.99 4.77 -0.82 -4.86 117.00 108.70 1j5h n LEU 13 Ca -0.07 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.80 1j5h n LEU 13 Cb 0.56 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.59 1j5h n LEU 13 CO 0.89 -0.00 0.09 -0.55 -1.33 0.00 0.00 177.39 176.49 1j5h s SER 14 N -1.00 0.21 -0.36 -1.43 0.15 -1.26 -3.54 113.70 106.48 1j5h s SER 14 Ca 0.00 -1.16 -0.28 0.00 0.70 0.00 0.00 55.95 55.21 1j5h s SER 14 Cb 0.00 0.57 -0.02 0.00 -1.71 0.00 0.00 66.02 64.86 1j5h s SER 14 CO 0.00 -1.13 1.85 -0.62 1.20 0.00 0.00 173.24 174.54 1j5h s ASP 15 N -3.10 5.75 0.00 5.45 3.68 -1.26 -1.51 116.67 125.67 1j5h s ASP 15 Ca 0.28 1.23 0.00 0.00 2.13 0.00 0.00 52.55 56.19 1j5h s ASP 15 Cb 0.01 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 38.95 1j5h s ASP 15 CO 0.12 -1.83 0.00 0.61 0.13 0.00 0.00 175.17 174.20 1j5h n GLY 16 N 5.49 0.46 3.57 2.66 0.00 -1.12 -4.75 105.19 111.50 1j5h n GLY 16 Ca 0.23 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 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 3.62 -1.05 2.61 2.01 -0.57 -4.49 115.64 115.77 1j5h s THR 17 Ca 0.00 -0.85 -0.25 0.00 0.31 0.00 0.00 61.69 60.90 1j5h s THR 17 Cb 0.00 -4.51 -0.17 0.00 0.01 0.00 0.00 72.50 67.83 1j5h s THR 17 CO 0.00 -1.20 1.98 0.52 -0.69 0.00 0.00 174.62 175.24 1j5h n VAL 18 N 7.57 1.07 -1.67 3.82 0.31 -1.24 -1.91 118.33 126.28 1j5h n VAL 18 Ca 0.43 -1.10 -0.06 0.00 -0.01 0.00 0.00 64.34 63.60 1j5h n VAL 18 Cb 0.47 -2.11 0.04 0.00 -0.91 0.00 0.00 33.84 31.33 1j5h n VAL 18 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1j5h n VAL 19 N 8.14 0.00 -3.28 2.52 0.24 -0.58 -4.61 118.33 120.76 1j5h n VAL 19 Ca 0.44 -0.27 -0.36 0.00 -2.04 0.00 0.00 64.34 62.11 1j5h n VAL 19 Cb 0.46 -1.63 -0.06 0.00 -1.47 0.00 0.00 33.84 31.14 1j5h n VAL 19 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1j5h s LYS 20 N -3.36 4.08 0.00 7.34 1.02 -1.26 -0.91 119.74 126.65 1j5h s LYS 20 Ca 0.16 0.62 -0.01 0.00 0.02 0.00 0.00 55.97 56.76 1j5h s LYS 20 Cb -0.01 -2.95 -0.01 0.00 -0.52 0.00 0.00 37.83 34.35 1j5h s LYS 20 CO 0.11 0.47 0.01 0.08 -0.92 0.00 0.00 175.35 175.10 1j5h s VAL 21 N -1.44 0.05 0.06 3.17 1.01 0.27 -1.00 120.40 122.52 1j5h s VAL 21 Ca 0.38 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 1j5h s VAL 21 Cb -0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 1j5h s VAL 21 CO 0.20 -0.23 0.09 0.00 0.00 0.00 0.00 175.10 175.16 1j5h s ALA 22 N -0.68 0.05 0.00 5.51 0.00 -0.79 -0.56 121.76 125.29 1j5h s ALA 22 Ca -0.07 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1j5h s ALA 22 Cb -0.05 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.41 1j5h s ALA 22 CO -0.00 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.77 1j5h n GLY 23 N 0.30 1.27 0.00 0.00 0.00 0.21 -0.98 105.19 105.98 1j5h n GLY 23 Ca -0.16 -2.12 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 0.63 0.00 0.10 4.61 0.00 0.15 -1.56 120.51 124.45 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 -0.25 3.73 0.00 0.00 -1.26 0.19 105.19 107.60 1j5h n GLY 25 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.19 -2.78 0.00 0.99 7.94 -1.05 -4.78 117.00 116.13 1j5h n LEU 26 Ca 0.01 -0.99 0.00 0.00 -1.11 0.00 0.00 56.01 53.92 1j5h n LEU 26 Cb 0.01 -2.39 0.00 0.00 0.53 0.00 0.00 43.42 41.57 1j5h n LEU 26 CO 0.01 0.46 0.00 0.00 -1.11 0.00 0.00 177.39 176.75 1j5h n GLN 27 N -4.22 0.00 -2.67 1.96 1.13 -0.06 -4.51 117.38 109.00 1j5h n GLN 27 Ca -0.15 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 54.92 1j5h n GLN 27 Cb 0.62 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.98 1j5h n GLN 27 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j5h s ALA 28 N -4.00 -4.89 -0.65 -1.58 0.00 -1.26 -3.21 121.76 106.17 1j5h s ALA 28 Ca 0.00 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.41 1j5h s ALA 28 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1j5h s ALA 28 CO 0.00 -2.56 0.00 0.41 0.00 0.00 0.00 175.76 173.61 1j5h n GLY 29 N 3.46 0.68 3.81 0.00 0.00 -1.25 -4.92 105.19 106.98 1j5h n GLY 29 Ca 0.05 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.74 3.85 0.35 2.61 2.01 -1.26 -4.36 115.64 117.10 1j5h s THR 30 Ca 0.00 0.65 -0.25 0.00 0.31 0.00 0.00 61.69 62.40 1j5h s THR 30 Cb 0.00 -3.30 -0.10 0.00 0.01 0.00 0.00 72.50 69.11 1j5h s THR 30 CO 0.00 -0.74 0.96 0.00 -0.69 0.00 0.00 174.62 174.15 1j5h s ALA 31 N -2.90 3.17 -0.43 7.40 0.00 -1.26 -1.13 121.76 126.60 1j5h s ALA 31 Ca 0.60 0.53 0.06 0.00 0.00 0.00 0.00 51.96 53.14 1j5h s ALA 31 Cb -0.15 -3.19 0.20 0.00 0.00 0.00 0.00 23.12 19.98 1j5h s ALA 31 CO 0.52 0.12 0.51 0.66 0.00 0.00 0.00 175.76 177.56 1j5h n TYR 32 N 0.29 -1.59 -1.50 0.00 4.01 0.92 -4.85 117.16 114.44 1j5h n TYR 32 Ca 0.03 -2.85 -0.52 0.00 -0.16 0.00 0.00 57.90 54.40 1j5h n TYR 32 Cb 0.51 0.47 -0.05 0.00 -0.31 0.00 0.00 39.34 39.96 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 2.40 0.10 -4.82 7.72 2.03 -0.42 -1.81 116.55 121.74 1j5h n ASP 33 Ca 0.24 1.14 -0.32 0.00 0.52 0.00 0.00 54.79 56.37 1j5h n ASP 33 Cb 0.52 -1.04 -0.00 0.00 -0.72 0.00 0.00 41.12 39.88 1j5h n ASP 33 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1j5h s VAL 34 N -0.38 4.07 0.00 5.18 1.01 0.21 0.50 120.40 130.98 1j5h s VAL 34 Ca 0.76 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.72 1j5h s VAL 34 Cb -1.02 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 31.86 1j5h s VAL 34 CO 0.55 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.68 1j5h n GLY 35 N -1.22 4.77 0.00 4.51 0.00 -0.20 -4.42 105.19 108.63 1j5h n GLY 35 Ca 0.08 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 0.00 -4.68 1.61 7.27 -1.25 -4.15 117.38 116.18 1j5h n GLN 36 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.76 1j5h n GLN 36 Cb 0.00 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.58 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 -3.02 1.66 -0.44 0.00 0.00 0.17 -0.33 121.76 119.81 1j5h s ALA 38 Ca 0.10 -0.67 -0.21 0.00 0.00 0.00 0.00 51.96 51.18 1j5h s ALA 38 Cb 0.01 -0.70 0.02 0.00 0.00 0.00 0.00 23.12 22.45 1j5h s ALA 38 CO 0.07 0.13 0.64 -0.46 0.00 0.00 0.00 175.76 176.14 1j5h s TRP 39 N 0.62 3.07 0.00 0.00 -0.11 -1.04 -0.58 118.94 120.90 1j5h s TRP 39 Ca -0.14 -0.05 0.00 0.00 1.22 0.00 0.00 56.10 57.13 1j5h s TRP 39 Cb -0.16 -3.35 0.00 0.00 -1.50 0.00 0.00 33.47 28.46 1j5h s TRP 39 CO 0.04 -0.87 0.00 0.28 -4.62 0.00 0.00 176.95 171.79 1j5h n VAL 40 N 5.85 0.00 -0.72 5.86 0.31 -0.38 -4.34 118.33 124.90 1j5h n VAL 40 Ca -0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.15 1j5h n VAL 40 Cb 0.48 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.47 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 5.70 0.00 4.52 4.64 -1.24 -4.87 116.55 125.30 1j5h n ASP 41 Ca 0.00 -3.06 0.00 0.00 -1.38 0.00 0.00 54.79 50.35 1j5h n ASP 41 Cb 0.00 -0.95 0.00 0.00 -1.04 0.00 0.00 41.12 39.13 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 0.05 0.00 0.27 5.18 -1.04 -1.26 -4.12 114.28 113.37 1j5h n THR 42 Ca 0.33 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.42 1j5h n THR 42 Cb 0.74 0.00 0.36 0.00 -1.82 0.00 0.00 70.33 69.60 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 -0.93 3.05 3.41 0.00 -1.26 -4.46 105.19 105.00 1j5h n GLY 43 Ca 0.00 0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.22 1.33 -0.16 1.61 1.01 -1.26 -4.99 120.40 114.72 1j5h s VAL 44 Ca 0.02 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 1j5h s VAL 44 Cb 0.06 -1.21 0.05 0.00 0.00 0.00 0.00 36.38 35.29 1j5h s VAL 44 CO 0.22 0.40 0.03 -0.22 0.00 0.00 0.00 175.10 175.53 1j5h s LEU 45 N 0.78 0.95 -0.95 3.92 2.96 -1.21 -1.25 118.68 123.89 1j5h s LEU 45 Ca -0.12 -0.60 -0.20 0.00 -0.22 0.00 0.00 54.13 53.00 1j5h s LEU 45 Cb -0.16 -0.53 0.10 0.00 0.50 0.00 0.00 46.19 46.11 1j5h s LEU 45 CO 0.02 -0.28 1.22 0.00 -1.32 0.00 0.00 176.35 176.00 1j5h s ALA 46 N 1.91 3.16 0.72 5.97 0.00 0.25 -3.78 121.76 129.99 1j5h s ALA 46 Ca 0.01 -2.58 -0.12 0.00 0.00 0.00 0.00 51.96 49.26 1j5h s ALA 46 Cb -0.16 -4.19 0.03 0.00 0.00 0.00 0.00 23.12 18.81 1j5h s ALA 46 CO -0.07 -3.17 1.10 0.00 0.00 0.00 0.00 175.76 173.62 1j5h s ASN 48 N -3.03 5.20 0.00 0.00 3.84 0.17 0.69 114.94 121.80 1j5h s ASN 48 Ca 0.64 -3.45 -0.02 0.00 0.21 0.00 0.00 52.86 50.24 1j5h s ASN 48 Cb -0.19 -1.77 -0.10 0.00 -0.55 0.00 0.00 41.25 38.64 1j5h s ASN 48 CO 0.50 -0.20 2.14 -0.81 -2.79 0.00 0.00 177.10 175.93 1j5h n PRO 49 N 2.62 1.11 0.00 0.43 -0.04 -1.26 -2.30 135.00 135.56 1j5h n PRO 49 Ca 0.15 -0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1j5h n PRO 49 Cb 0.36 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 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 2.11 0.63 0.14 0.55 0.00 -1.26 -4.91 120.51 117.77 1j5h n ALA 50 Ca 0.15 -0.28 -0.15 0.00 0.00 0.00 0.00 53.44 53.16 1j5h n ALA 50 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.89 1j5h n ALA 50 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1j5h h ASP 51 N 0.00 -1.36 0.00 0.00 3.32 -1.77 -3.44 116.42 113.17 1j5h h ASP 51 Ca 0.00 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1j5h h ASP 51 Cb 0.82 0.49 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1j5h h ASP 51 CO 0.00 -0.51 0.00 0.33 -1.72 0.00 0.00 179.24 177.34 1j5h n PHE 52 N -5.11 0.00 -0.90 4.55 7.35 -1.26 -4.92 117.46 117.17 1j5h n PHE 52 Ca -0.08 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.30 1j5h n PHE 52 Cb 0.37 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.22 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 1.60 -4.08 -3.74 -2.13 7.64 -1.26 -4.58 113.62 107.07 1j5h n SER 53 Ca 0.00 0.32 -0.13 0.00 1.01 0.00 0.00 58.87 60.06 1j5h n SER 53 Cb 0.00 -0.65 -0.10 0.00 -1.01 0.00 0.00 64.21 62.45 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 -0.81 -0.42 0.10 6.43 0.15 -1.26 0.65 113.70 118.53 1j5h s SER 54 Ca 0.39 0.81 0.10 0.00 0.70 0.00 0.00 55.95 57.94 1j5h s SER 54 Cb -0.26 0.82 -0.03 0.00 -1.71 0.00 0.00 66.02 64.84 1j5h s SER 54 CO 0.62 -0.14 -0.24 0.54 1.20 0.00 0.00 173.24 175.21 1j5h s VAL 55 N 0.22 2.02 0.02 4.45 0.11 -0.75 -4.80 120.40 121.67 1j5h s VAL 55 Ca -0.00 -1.57 0.03 0.00 -2.93 0.00 0.00 61.98 57.51 1j5h s VAL 55 Cb -0.03 -1.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.00 1j5h s VAL 55 CO 0.00 0.11 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.95 1j5h s THR 56 N -1.01 3.77 0.96 5.04 2.01 -1.26 -0.06 115.64 125.09 1j5h s THR 56 Ca 0.11 -0.82 -0.12 0.00 0.31 0.00 0.00 61.69 61.17 1j5h s THR 56 Cb -0.10 -2.68 0.17 0.00 0.01 0.00 0.00 72.50 69.90 1j5h s THR 56 CO 0.04 0.32 1.10 0.00 -0.69 0.00 0.00 174.62 175.40 1j5h s ALA 57 N -1.08 1.23 -0.10 7.40 0.00 -0.28 -2.16 121.76 126.78 1j5h s ALA 57 Ca 0.19 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 1j5h s ALA 57 Cb -0.11 -3.10 0.03 0.00 0.00 0.00 0.00 23.12 19.93 1j5h s ALA 57 CO 0.10 -2.63 -0.05 0.16 0.00 0.00 0.00 175.76 173.34 1j5h s ASP 58 N -3.60 1.95 0.00 0.00 1.47 0.35 -3.75 116.67 113.09 1j5h s ASP 58 Ca 0.65 -0.22 0.00 0.00 1.18 0.00 0.00 52.55 54.15 1j5h s ASP 58 Cb -0.17 -0.69 0.00 0.00 -0.34 0.00 0.00 42.92 41.71 1j5h s ASP 58 CO 0.56 -0.14 0.00 0.00 0.68 0.00 0.00 175.17 176.27 1j5h n ALA 59 N 5.00 0.00 -0.31 2.11 0.00 -1.26 0.13 120.51 126.18 1j5h n ALA 59 Ca -0.11 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.49 1j5h n ALA 59 Cb 0.50 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.25 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 0.47 -0.05 0.00 0.00 3.02 -1.26 -4.22 115.26 113.23 1j5h n ASN 60 Ca 0.00 1.54 0.00 0.00 -0.03 0.00 0.00 54.58 56.09 1j5h n ASN 60 Cb 0.00 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 1j5h n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j5h n GLY 61 N -1.43 0.25 3.74 7.41 0.00 0.36 -4.23 105.19 111.30 1j5h n GLY 61 Ca 0.23 0.00 -0.41 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 -0.13 7.41 0.68 1.61 0.01 -1.21 -0.88 113.70 121.19 1j5h s SER 62 Ca 0.00 2.00 -0.12 0.00 1.31 0.00 0.00 55.95 59.14 1j5h s SER 62 Cb 0.00 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.63 1j5h s SER 62 CO 0.00 -0.09 1.06 0.00 0.41 0.00 0.00 173.24 174.62 1j5h s ALA 63 N -0.48 2.70 -0.30 1.44 0.00 -0.60 0.13 121.76 124.65 1j5h s ALA 63 Ca 0.46 0.13 -0.09 0.00 0.00 0.00 0.00 51.96 52.46 1j5h s ALA 63 Cb -0.27 -3.18 0.15 0.00 0.00 0.00 0.00 23.12 19.82 1j5h s ALA 63 CO 0.34 -1.14 0.71 -1.54 0.00 0.00 0.00 175.76 174.12 1j5h s SER 64 N -3.65 -1.08 0.00 0.00 1.04 -0.92 -0.62 113.70 108.48 1j5h s SER 64 Ca 0.59 1.26 0.00 0.00 0.48 0.00 0.00 55.95 58.28 1j5h s SER 64 Cb -0.14 2.14 0.00 0.00 0.10 0.00 0.00 66.02 68.12 1j5h s SER 64 CO 0.52 -0.20 0.00 1.07 0.98 0.00 0.00 173.24 175.61 1j5h n THR 65 N 5.37 0.00 -4.90 2.02 5.66 0.27 -4.45 114.28 118.25 1j5h n THR 65 Ca -0.09 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.64 1j5h n THR 65 Cb 0.50 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.12 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 2.00 2.28 -0.05 1.09 0.01 -1.25 0.98 113.70 118.75 1j5h s SER 66 Ca 0.00 -0.37 0.06 0.00 1.31 0.00 0.00 55.95 56.95 1j5h s SER 66 Cb 0.00 -0.54 -0.01 0.00 0.21 0.00 0.00 66.02 65.68 1j5h s SER 66 CO 0.00 0.18 -0.24 -0.76 0.41 0.00 0.00 173.24 172.83 1j5h s LEU 67 N -0.10 2.05 -0.70 2.44 1.02 -0.09 -4.88 118.68 118.42 1j5h s LEU 67 Ca -0.01 -0.49 -0.27 0.00 0.02 0.00 0.00 54.13 53.38 1j5h s LEU 67 Cb -0.11 -1.32 0.01 0.00 0.02 0.00 0.00 46.19 44.79 1j5h s LEU 67 CO 0.02 0.24 1.50 0.28 0.02 0.00 0.00 176.35 178.41 1j5h s THR 68 N -0.20 3.58 -0.76 5.49 -1.32 -1.26 -1.52 115.64 119.65 1j5h s THR 68 Ca -0.02 0.31 -0.09 0.00 -1.21 0.00 0.00 61.69 60.68 1j5h s THR 68 Cb -0.13 -4.55 -0.08 0.00 -1.51 0.00 0.00 72.50 66.23 1j5h s THR 68 CO 0.03 -1.50 1.93 0.52 -2.21 0.00 0.00 174.62 173.39 1j5h n VAL 69 N 6.70 1.97 -1.57 5.08 0.31 -0.80 -4.71 118.33 125.32 1j5h n VAL 69 Ca 0.10 -1.29 -0.53 0.00 -0.01 0.00 0.00 64.34 62.62 1j5h n VAL 69 Cb 0.50 -2.10 -0.06 0.00 -0.91 0.00 0.00 33.84 31.27 1j5h n VAL 69 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1j5h n ARG 70 N 5.01 0.93 -0.06 5.55 1.74 -1.26 -2.81 116.66 125.76 1j5h n ARG 70 Ca 0.41 0.33 -0.09 0.00 -0.77 0.00 0.00 57.85 57.73 1j5h n ARG 70 Cb 0.18 -1.91 -0.08 0.00 -1.02 0.00 0.00 32.46 29.63 1j5h n ARG 70 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1j5h h ARG 71 N 3.98 -0.00 -4.76 5.56 3.08 -1.86 -3.43 114.38 116.95 1j5h h ARG 71 Ca -0.47 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.33 1j5h h ARG 71 Cb 1.36 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.26 1j5h h ARG 71 CO 0.74 0.61 -0.70 -1.54 -1.07 0.00 0.00 179.97 178.00 1j5h s SER 72 N -5.95 1.29 0.00 7.04 1.04 -1.26 -0.85 113.70 115.01 1j5h s SER 72 Ca -0.12 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.33 1j5h s SER 72 Cb -0.02 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1j5h s SER 72 CO 0.42 -0.42 0.00 2.22 0.98 0.00 0.00 173.24 176.45 1j5h n PHE 73 N 0.00 0.00 -3.70 5.02 1.16 -0.57 -4.88 117.46 114.49 1j5h n PHE 73 Ca -0.12 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.08 1j5h n PHE 73 Cb 0.60 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.37 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 -0.44 2.31 0.00 3.97 4.04 -1.25 -0.72 118.70 126.61 1j5h s GLU 74 Ca 0.00 -2.04 0.00 0.00 0.04 0.00 0.00 54.97 52.97 1j5h s GLU 74 Cb 0.00 -3.72 0.00 0.00 0.02 0.00 0.00 34.13 30.43 1j5h s GLU 74 CO 0.00 -1.13 0.00 0.41 -1.84 0.00 0.00 175.26 172.70 1j5h n GLY 75 N 4.31 1.32 2.99 -3.83 0.00 -1.25 -4.74 105.19 103.99 1j5h n GLY 75 Ca 0.00 -2.01 -0.22 0.00 0.00 0.00 0.00 46.02 43.79 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 0.90 1.14 0.23 1.61 0.40 0.22 0.29 117.98 122.76 1j5h s PHE 76 Ca 0.00 -0.36 -0.08 0.00 -0.60 0.00 0.00 56.93 55.89 1j5h s PHE 76 Cb 0.00 -0.85 0.37 0.00 0.51 0.00 0.00 43.02 43.05 1j5h s PHE 76 CO 0.00 -0.19 1.68 -0.07 0.70 0.00 0.00 175.22 177.34 1j5h h LEU 77 N 6.77 -0.10 0.00 -0.37 4.07 -1.37 0.18 115.31 124.50 1j5h h LEU 77 Ca -0.34 0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.77 1j5h h LEU 77 Cb 1.17 0.22 0.00 0.00 1.08 0.00 0.00 40.66 43.13 1j5h h LEU 77 CO 0.48 -0.06 0.00 0.33 -1.08 0.00 0.00 178.44 178.11 1j5h n PHE 78 N -5.20 0.00 -1.83 1.13 -0.00 -1.26 -3.32 117.46 106.98 1j5h n PHE 78 Ca 0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.52 1j5h n PHE 78 Cb 0.40 -0.18 -0.05 0.00 -0.00 0.00 0.00 39.48 39.65 1j5h n PHE 78 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1j5h n ASP 79 N 0.72 -0.66 0.05 -2.13 4.64 -1.26 -5.01 116.55 112.90 1j5h n ASP 79 Ca 0.00 -1.32 0.00 0.00 -1.38 0.00 0.00 54.79 52.09 1j5h n ASP 79 Cb 0.00 0.20 0.00 0.00 -1.04 0.00 0.00 41.12 40.28 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 -0.00 -1.71 0.00 0.27 0.00 -1.26 -5.15 105.19 97.34 1j5h n GLY 80 Ca -0.18 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.74 0.00 -1.63 2.61 -1.04 -1.26 -5.05 114.28 105.17 1j5h n THR 81 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 1j5h n THR 81 Cb 0.00 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1j5h n THR 81 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1j5h n ARG 82 N -0.18 1.57 0.00 -2.82 1.85 -1.26 -1.53 116.66 114.30 1j5h n ARG 82 Ca 0.00 0.56 0.00 0.00 -1.00 0.00 0.00 57.85 57.41 1j5h n ARG 82 Cb 0.00 -2.06 0.00 0.00 -1.05 0.00 0.00 32.46 29.35 1j5h n ARG 82 CO 0.00 0.00 0.00 1.87 -0.01 0.00 0.00 177.63 179.49 1j5h n TRP 83 N -0.03 0.00 0.00 2.89 -0.00 0.14 -4.69 117.44 115.75 1j5h n TRP 83 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.58 1j5h n TRP 83 Cb 0.36 -0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.67 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 1.83 4.06 3.43 5.87 0.00 -1.22 -4.95 105.19 114.21 1j5h n GLY 84 Ca 0.00 -1.46 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 1j5h n GLY 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j5h n THR 85 N -1.88 0.60 -4.02 2.61 -1.04 -1.23 -3.76 114.28 105.56 1j5h n THR 85 Ca 0.00 -0.56 -0.24 0.00 -2.04 0.00 0.00 64.05 61.21 1j5h n THR 85 Cb 0.00 -2.09 -0.06 0.00 -1.82 0.00 0.00 70.33 66.36 1j5h n THR 85 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1j5h s VAL 86 N 8.99 2.27 0.22 12.58 0.11 0.10 -4.79 120.40 139.87 1j5h s VAL 86 Ca 0.69 -1.62 -0.30 0.00 -2.93 0.00 0.00 61.98 57.82 1j5h s VAL 86 Cb 0.09 -2.89 -0.09 0.00 -1.53 0.00 0.00 36.38 31.97 1j5h s VAL 86 CO 0.25 0.00 1.24 -1.81 -3.33 0.00 0.00 175.10 171.45 1j5h s ASP 87 N -3.98 6.99 -0.22 3.54 1.11 -1.26 -1.51 116.67 121.34 1j5h s ASP 87 Ca 0.40 2.36 0.06 0.00 0.18 0.00 0.00 52.55 55.56 1j5h s ASP 87 Cb 0.02 -2.62 -0.20 0.00 1.07 0.00 0.00 42.92 41.19 1j5h s ASP 87 CO 0.23 -0.42 -0.04 0.00 1.18 0.00 0.00 175.17 176.11 1j5h h THR 89 N 0.01 0.65 0.00 0.00 1.03 -1.51 1.19 112.91 114.27 1j5h h THR 89 Ca -0.54 -0.15 -0.03 0.00 -0.01 0.00 0.00 66.41 65.68 1j5h h THR 89 Cb 2.02 0.19 -0.00 0.00 -1.07 0.00 0.00 68.15 69.28 1j5h h THR 89 CO -0.03 0.08 -0.14 0.74 -0.01 0.00 0.00 175.52 176.16 1j5h h THR 90 N 0.43 0.35 -0.32 0.00 2.02 -1.87 -2.37 112.91 111.15 1j5h h THR 90 Ca 0.50 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 1j5h h THR 90 Cb 1.22 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 69.30 1j5h h THR 90 CO -0.21 0.14 0.01 0.00 0.37 0.00 0.00 175.52 175.83 1j5h n ALA 91 N -2.18 3.25 -3.75 6.16 0.00 0.38 -4.98 120.51 119.40 1j5h n ALA 91 Ca 0.00 -2.34 -0.24 0.00 0.00 0.00 0.00 53.44 50.86 1j5h n ALA 91 Cb 0.39 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.44 -2.73 -0.64 0.00 0.00 0.48 -2.49 120.51 114.69 1j5h n ALA 92 Ca 0.24 -0.26 -0.07 0.00 0.00 0.00 0.00 53.44 53.35 1j5h n ALA 92 Cb 0.96 -0.68 0.11 0.00 0.00 0.00 0.00 19.45 19.84 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 -3.10 0.98 -0.22 0.00 0.00 0.55 -1.80 119.66 116.08 1j5h s GLN 94 Ca 0.26 0.48 -0.01 0.00 -0.00 0.00 0.00 55.36 56.08 1j5h s GLN 94 Cb -0.05 0.47 0.06 0.00 0.00 0.00 0.00 33.01 33.49 1j5h s GLN 94 CO 0.21 -0.26 0.00 0.08 0.00 0.00 0.00 175.29 175.33 1j5h s VAL 95 N -0.71 0.94 0.00 3.63 1.01 -0.70 -0.55 120.40 124.02 1j5h s VAL 95 Ca -0.07 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1j5h s VAL 95 Cb -0.02 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 35.00 1j5h s VAL 95 CO 0.07 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.59 1j5h n GLY 96 N 4.89 5.95 3.94 4.51 0.00 -1.26 -4.32 105.19 118.90 1j5h n GLY 96 Ca -0.10 -2.10 -0.26 0.00 0.00 0.00 0.00 46.02 43.56 1j5h n GLY 96 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j5h s LEU 97 N 0.00 4.24 -0.28 0.99 0.20 -1.26 -1.03 118.68 121.54 1j5h s LEU 97 Ca 0.00 0.32 -0.05 0.00 0.69 0.00 0.00 54.13 55.09 1j5h s LEU 97 Cb 0.00 -3.09 0.15 0.00 -0.43 0.00 0.00 46.19 42.82 1j5h s LEU 97 CO 0.00 -0.05 0.55 -0.55 -0.29 0.00 0.00 176.35 176.01 1j5h s SER 98 N -3.37 -0.88 0.52 3.68 0.15 0.18 -4.42 113.70 109.56 1j5h s SER 98 Ca 0.37 0.99 0.01 0.00 0.70 0.00 0.00 55.95 58.02 1j5h s SER 98 Cb -0.11 1.92 0.02 0.00 -1.71 0.00 0.00 66.02 66.14 1j5h s SER 98 CO 0.30 -0.25 0.75 1.51 1.20 0.00 0.00 173.24 176.74 1j5h s ASP 99 N 2.78 5.45 -0.24 5.45 1.47 -1.22 -1.31 116.67 129.06 1j5h s ASP 99 Ca 0.08 0.10 0.01 0.00 1.18 0.00 0.00 52.55 53.92 1j5h s ASP 99 Cb -0.14 -1.10 0.28 0.00 -0.34 0.00 0.00 42.92 41.63 1j5h s ASP 99 CO -0.18 -1.01 1.60 0.00 0.68 0.00 0.00 175.17 176.26 1j5h n ALA 100 N -2.27 4.29 0.00 2.11 0.00 -1.26 -3.88 120.51 119.49 1j5h n ALA 100 Ca 0.06 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 52.07 1j5h n ALA 100 Cb 0.59 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.08 0.00 0.08 0.00 0.00 -1.26 -5.05 120.51 114.20 1j5h n ALA 101 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1j5h n ALA 101 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.36 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 0.00 -0.18 0.00 0.00 0.00 -1.25 -5.17 105.19 98.59 1j5h n GLY 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.04 0.00 0.00 1.61 2.85 -1.26 -4.95 115.26 110.47 1j5h n ASN 103 Ca 0.00 -0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.26 1j5h n ASN 103 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1j5h n ASN 103 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1j5h n GLY 104 N 0.00 -0.36 3.78 8.20 0.00 -1.26 -3.42 105.19 112.13 1j5h n GLY 104 Ca 0.00 0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 4.15 -0.01 1.61 0.04 -1.26 -4.16 135.00 135.36 1j5h s PRO 105 Ca 0.00 1.52 -0.02 0.00 0.04 0.00 0.00 61.00 62.54 1j5h s PRO 105 Cb 0.00 -2.53 -0.01 0.00 0.04 0.00 0.00 34.50 32.00 1j5h s PRO 105 CO 0.00 -0.16 -0.04 -1.91 0.04 0.00 0.00 177.00 174.93 1j5h n GLU 106 N -0.10 0.07 0.00 4.56 0.00 -1.26 -4.95 120.64 118.96 1j5h n GLU 106 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.24 1j5h n GLU 106 Cb 0.50 -0.61 0.00 0.00 0.00 0.00 0.00 31.44 31.32 1j5h n GLU 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1j5h n GLY 107 N 2.90 1.82 3.36 8.31 0.00 -1.26 -5.02 105.19 115.30 1j5h n GLY 107 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.58 2.35 -1.57 1.61 0.31 -1.26 -4.89 118.33 114.29 1j5h n VAL 108 Ca 0.00 -2.30 -0.44 0.00 -0.01 0.00 0.00 64.34 61.59 1j5h n VAL 108 Cb 0.00 -2.28 -0.04 0.00 -0.91 0.00 0.00 33.84 30.61 1j5h n VAL 108 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1j5h n ALA 109 N 10.60 1.64 -2.65 3.52 0.00 -1.26 -1.72 120.51 130.63 1j5h n ALA 109 Ca 0.48 -0.26 -0.32 0.00 0.00 0.00 0.00 53.44 53.33 1j5h n ALA 109 Cb 0.44 -2.88 -0.09 0.00 0.00 0.00 0.00 19.45 16.91 1j5h n ALA 109 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1j5h s ILE 110 N 8.41 3.94 -0.92 0.00 1.01 -0.74 -4.98 121.20 127.92 1j5h s ILE 110 Ca 1.02 -0.72 -0.19 0.00 0.00 0.00 0.00 60.65 60.76 1j5h s ILE 110 Cb -0.41 -2.76 0.12 0.00 0.01 0.00 0.00 42.46 39.43 1j5h s ILE 110 CO 0.37 0.35 1.13 -0.44 0.00 0.00 0.00 174.94 176.34 1j5h s SER 111 N -1.61 6.60 0.01 3.58 0.01 -0.75 -4.10 113.70 117.44 1j5h s SER 111 Ca 0.19 -1.97 -0.26 0.00 1.31 0.00 0.00 55.95 55.23 1j5h s SER 111 Cb -0.11 -2.40 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 1j5h s SER 111 CO 0.10 -1.10 0.81 -0.36 0.41 0.00 0.00 173.24 173.10 1j5h s PHE 112 N 2.83 3.68 -2.00 2.43 0.40 -1.26 -1.94 117.98 122.11 1j5h s PHE 112 Ca 0.32 1.48 0.07 0.00 -0.60 0.00 0.00 56.93 58.20 1j5h s PHE 112 Cb -0.05 -2.90 0.40 0.00 0.51 0.00 0.00 43.02 40.98 1j5h s PHE 112 CO -0.08 0.15 0.86 0.09 0.70 0.00 0.00 175.22 176.94