#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 0.00 -1.56 0.00 0.00 -1.26 -4.99 120.51 112.70 1j5h n ALA 2 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1j5h n ALA 2 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 -2.74 2.27 -0.27 0.00 0.04 -1.26 -5.07 135.00 127.96 1j5h s PRO 3 Ca 0.00 0.71 -0.38 0.00 0.04 0.00 0.00 61.00 61.36 1j5h s PRO 3 Cb 0.00 -1.93 0.16 0.00 0.04 0.00 0.00 34.50 32.76 1j5h s PRO 3 CO 0.00 -1.51 1.37 0.95 0.04 0.00 0.00 177.00 177.85 1j5h s THR 4 N -3.13 0.00 0.24 1.26 -4.23 0.33 -4.50 115.64 105.61 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 -0.14 -1.04 -0.03 0.00 1.34 0.00 0.00 72.50 72.63 1j5h s THR 4 CO 0.54 0.00 0.23 0.00 -0.54 0.00 0.00 174.62 174.85 1j5h s ALA 5 N -2.07 3.67 0.10 3.99 0.00 -1.24 0.78 121.76 126.98 1j5h s ALA 5 Ca 0.12 -1.35 -0.15 0.00 0.00 0.00 0.00 51.96 50.57 1j5h s ALA 5 Cb -0.01 -1.41 0.03 0.00 0.00 0.00 0.00 23.12 21.73 1j5h s ALA 5 CO -0.03 0.27 0.37 0.95 0.00 0.00 0.00 175.76 177.32 1j5h s THR 6 N -2.06 0.08 -0.08 0.00 -4.23 -0.41 -2.67 115.64 106.27 1j5h s THR 6 Ca 0.33 -0.64 0.03 0.00 -1.18 0.00 0.00 61.69 60.23 1j5h s THR 6 Cb -0.08 -1.13 -0.02 0.00 1.34 0.00 0.00 72.50 72.61 1j5h s THR 6 CO 0.26 -0.35 -0.18 0.54 -0.54 0.00 0.00 174.62 174.35 1j5h s VAL 7 N -3.48 2.71 0.12 2.29 0.11 -1.26 -1.03 120.40 119.86 1j5h s VAL 7 Ca 0.01 -0.82 -0.23 0.00 -2.93 0.00 0.00 61.98 58.01 1j5h s VAL 7 Cb 0.02 -2.06 -0.04 0.00 -1.53 0.00 0.00 36.38 32.76 1j5h s VAL 7 CO -0.10 0.56 1.15 0.41 -3.33 0.00 0.00 175.10 173.80 1j5h n THR 8 N 2.88 -0.50 -0.43 5.04 -1.04 -0.62 -4.43 114.28 115.18 1j5h n THR 8 Ca -0.18 1.80 0.00 0.00 -2.04 0.00 0.00 64.05 63.64 1j5h n THR 8 Cb 0.52 -2.23 0.00 0.00 -1.82 0.00 0.00 70.33 66.80 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 -4.94 0.13 0.00 -2.82 -0.04 -1.26 -5.01 135.00 121.06 1j5h n PRO 9 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1j5h n PRO 9 Cb 0.20 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.66 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 -1.73 0.00 -3.50 3.54 2.88 -1.26 -4.96 113.62 108.59 1j5h n SER 10 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1j5h n SER 10 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 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 0.00 -0.33 -1.61 -3.46 1.04 -1.19 -1.84 113.70 106.31 1j5h s SER 11 Ca 0.00 0.50 -0.01 0.00 0.48 0.00 0.00 55.95 56.92 1j5h s SER 11 Cb 0.00 1.25 0.00 0.00 0.10 0.00 0.00 66.02 67.38 1j5h s SER 11 CO 0.00 -0.07 0.16 0.61 0.98 0.00 0.00 173.24 174.92 1j5h n GLY 12 N 4.02 -0.44 0.00 7.32 0.00 0.52 -4.84 105.19 111.78 1j5h n GLY 12 Ca -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.08 0.00 -3.59 0.99 4.77 -0.72 -4.08 117.00 111.29 1j5h n LEU 13 Ca -0.20 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.71 1j5h n LEU 13 Cb 0.66 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.73 1j5h n LEU 13 CO 0.32 0.00 0.61 -0.55 -1.33 0.00 0.00 177.39 176.44 1j5h s SER 14 N -1.07 -0.34 -0.60 -1.43 0.15 -1.26 -0.88 113.70 108.27 1j5h s SER 14 Ca 0.00 -0.18 -0.26 0.00 0.70 0.00 0.00 55.95 56.21 1j5h s SER 14 Cb 0.00 0.50 -0.04 0.00 -1.71 0.00 0.00 66.02 64.77 1j5h s SER 14 CO 0.00 -0.85 2.04 1.51 1.20 0.00 0.00 173.24 177.14 1j5h s ASP 15 N -2.71 4.99 0.00 5.45 -4.77 -1.26 -0.99 116.67 117.37 1j5h s ASP 15 Ca 0.07 0.49 0.00 0.00 -3.30 0.00 0.00 52.55 49.81 1j5h s ASP 15 Cb -0.02 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.29 1j5h s ASP 15 CO -0.05 -2.58 0.00 0.61 0.70 0.00 0.00 175.17 173.85 1j5h n GLY 16 N 5.88 1.39 3.58 2.12 0.00 -0.98 -4.68 105.19 112.50 1j5h n GLY 16 Ca 0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 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 3.24 -0.23 2.61 2.01 -0.16 -4.44 115.64 116.67 1j5h s THR 17 Ca 0.00 -0.41 -0.29 0.00 0.31 0.00 0.00 61.69 61.30 1j5h s THR 17 Cb 0.00 -4.21 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 1j5h s THR 17 CO 0.00 -0.44 1.61 -0.69 -0.69 0.00 0.00 174.62 174.41 1j5h s VAL 18 N 14.53 3.70 0.08 3.82 1.01 -1.26 -1.65 120.40 140.63 1j5h s VAL 18 Ca 0.76 0.78 0.02 0.00 0.00 0.00 0.00 61.98 63.54 1j5h s VAL 18 Cb -0.03 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1j5h s VAL 18 CO 0.16 -0.32 0.07 1.33 0.00 0.00 0.00 175.10 176.34 1j5h n VAL 19 N 6.47 0.00 -2.65 2.92 0.24 -0.53 -4.93 118.33 119.85 1j5h n VAL 19 Ca 0.19 -0.58 -0.41 0.00 -2.04 0.00 0.00 64.34 61.50 1j5h n VAL 19 Cb 0.45 0.29 -0.04 0.00 -1.47 0.00 0.00 33.84 33.07 1j5h n VAL 19 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1j5h s LYS 20 N -2.33 4.66 -0.00 7.34 2.20 -1.26 -0.85 119.74 129.51 1j5h s LYS 20 Ca 0.09 1.55 0.04 0.00 -0.36 0.00 0.00 55.97 57.29 1j5h s LYS 20 Cb 0.00 -3.34 -0.01 0.00 -1.51 0.00 0.00 37.83 32.97 1j5h s LYS 20 CO 0.07 0.17 -0.13 0.54 -0.36 0.00 0.00 175.35 175.63 1j5h s VAL 21 N -0.08 1.01 0.03 4.02 0.11 0.12 -1.59 120.40 124.03 1j5h s VAL 21 Ca 0.48 -0.59 -0.01 0.00 -2.93 0.00 0.00 61.98 58.93 1j5h s VAL 21 Cb -0.25 -0.85 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 1j5h s VAL 21 CO 0.31 0.25 -0.01 0.00 -3.33 0.00 0.00 175.10 172.32 1j5h s ALA 22 N -0.36 0.26 0.00 1.54 0.00 -0.20 -0.21 121.76 122.79 1j5h s ALA 22 Ca 0.04 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1j5h s ALA 22 Cb -0.05 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.28 1j5h s ALA 22 CO -0.00 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1j5h n GLY 23 N 0.87 -0.24 0.00 0.00 0.00 -0.39 -1.29 105.19 104.14 1j5h n GLY 23 Ca -0.19 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 43.94 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 0.21 0.00 0.46 4.61 0.00 0.23 -1.52 120.51 124.50 1j5h n ALA 24 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1j5h n ALA 24 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.28 3.83 0.00 0.00 -1.26 0.12 105.19 107.60 1j5h n GLY 25 Ca 0.00 -0.05 -0.24 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 -1.04 -2.64 0.00 0.99 7.94 -0.85 -4.77 117.00 116.62 1j5h n LEU 26 Ca 0.05 -0.92 0.00 0.00 -1.11 0.00 0.00 56.01 54.03 1j5h n LEU 26 Cb 0.03 -2.43 0.00 0.00 0.53 0.00 0.00 43.42 41.55 1j5h n LEU 26 CO 0.04 0.42 0.00 1.67 -1.11 0.00 0.00 177.39 178.42 1j5h n GLN 27 N -4.34 0.00 0.00 1.96 -0.06 0.31 -4.48 117.38 110.78 1j5h n GLN 27 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.70 1j5h n GLN 27 Cb 0.68 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.86 1j5h n GLN 27 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j5h n ALA 28 N -3.00 0.00 -3.74 1.69 0.00 -1.26 -3.83 120.51 110.37 1j5h n ALA 28 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1j5h n ALA 28 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.70 3.16 0.00 0.00 -1.24 -4.76 105.19 101.64 1j5h n GLY 29 Ca 0.00 0.33 -0.10 0.00 0.00 0.00 0.00 46.02 46.25 1j5h n GLY 29 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j5h s THR 30 N -3.62 0.60 0.59 2.61 -1.32 -1.26 -4.79 115.64 108.45 1j5h s THR 30 Ca 0.29 -1.91 -0.18 0.00 -1.21 0.00 0.00 61.69 58.67 1j5h s THR 30 Cb -0.10 -1.68 -0.07 0.00 -1.51 0.00 0.00 72.50 69.14 1j5h s THR 30 CO 0.86 -0.87 0.74 0.00 -2.21 0.00 0.00 174.62 173.13 1j5h n ALA 31 N -0.03 -0.52 -3.12 11.08 0.00 -1.26 -1.28 120.51 125.39 1j5h n ALA 31 Ca -0.12 -0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.17 1j5h n ALA 31 Cb 0.61 -1.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.05 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 -1.62 -0.48 -0.27 0.00 2.02 0.44 -4.78 117.35 112.66 1j5h s TYR 32 Ca 0.72 -1.13 -0.38 0.00 -0.37 0.00 0.00 57.07 55.92 1j5h s TYR 32 Cb -0.43 -0.23 -0.14 0.00 -0.40 0.00 0.00 41.96 40.76 1j5h s TYR 32 CO 0.51 -1.06 1.88 -3.47 -1.57 0.00 0.00 175.55 171.83 1j5h n ASP 33 N 3.30 2.50 -4.75 2.29 2.03 0.59 -2.07 116.55 120.44 1j5h n ASP 33 Ca 0.20 0.91 -0.35 0.00 0.52 0.00 0.00 54.79 56.06 1j5h n ASP 33 Cb 0.51 -1.20 0.04 0.00 -0.72 0.00 0.00 41.12 39.75 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 4.52 2.71 -0.05 5.18 1.01 0.18 0.88 120.40 134.83 1j5h s VAL 34 Ca 1.00 0.42 -0.04 0.00 0.00 0.00 0.00 61.98 63.37 1j5h s VAL 34 Cb -0.97 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 32.31 1j5h s VAL 34 CO 0.60 -0.12 0.12 -0.83 0.00 0.00 0.00 175.10 174.87 1j5h s GLY 35 N -1.77 -0.08 -0.13 4.51 0.00 -0.17 -4.41 107.32 105.27 1j5h s GLY 35 Ca 0.75 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.86 1j5h s GLY 35 CO 0.35 0.39 -0.13 1.20 0.00 0.00 0.00 173.10 174.91 1j5h s GLN 36 N 0.23 2.10 0.27 2.90 -0.21 -1.26 -1.29 119.66 122.41 1j5h s GLN 36 Ca -0.01 -0.49 0.03 0.00 0.02 0.00 0.00 55.36 54.91 1j5h s GLN 36 Cb -0.02 -1.95 -0.04 0.00 1.00 0.00 0.00 33.01 32.00 1j5h s GLN 36 CO -0.01 -0.21 0.18 0.00 -2.12 0.00 0.00 175.29 173.13 1j5h s ALA 38 N -3.78 0.41 -0.20 0.00 0.00 1.00 0.12 121.76 119.31 1j5h s ALA 38 Ca 0.38 -0.44 -0.23 0.00 0.00 0.00 0.00 51.96 51.67 1j5h s ALA 38 Cb 0.05 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 1j5h s ALA 38 CO 0.18 -1.29 0.74 1.67 0.00 0.00 0.00 175.76 177.06 1j5h s TRP 39 N 2.15 3.37 -0.07 0.00 1.48 -1.26 0.33 118.94 124.94 1j5h s TRP 39 Ca 0.04 1.07 0.08 0.00 -1.06 0.00 0.00 56.10 56.23 1j5h s TRP 39 Cb -0.16 -2.92 -0.12 0.00 -1.16 0.00 0.00 33.47 29.11 1j5h s TRP 39 CO -0.16 -0.25 0.07 0.28 -4.06 0.00 0.00 176.95 172.83 1j5h n VAL 40 N 4.86 0.46 0.00 -0.66 0.31 0.05 -4.87 118.33 118.48 1j5h n VAL 40 Ca 0.02 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1j5h n VAL 40 Cb 0.49 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 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 -2.21 0.00 0.00 4.52 2.03 -1.23 -4.92 116.55 114.74 1j5h n ASP 41 Ca -0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.20 1j5h n ASP 41 Cb 0.66 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 1j5h n ASP 41 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1j5h n THR 42 N 0.00 0.00 0.23 5.18 -1.04 -1.26 -1.94 114.28 115.45 1j5h n THR 42 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.08 1j5h n THR 42 Cb 0.00 0.00 0.34 0.00 -1.82 0.00 0.00 70.33 68.85 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 -0.87 2.45 3.41 0.00 -1.26 -1.90 105.19 107.02 1j5h n GLY 43 Ca 0.00 0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.87 3.30 -3.54 1.61 0.31 -0.82 -4.18 118.33 113.14 1j5h n VAL 44 Ca 0.01 -3.74 -0.41 0.00 -0.01 0.00 0.00 64.34 60.19 1j5h n VAL 44 Cb 0.09 -1.19 -0.11 0.00 -0.91 0.00 0.00 33.84 31.73 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 -3.82 4.78 -0.58 7.52 0.20 -0.80 -0.77 118.68 125.21 1j5h s LEU 45 Ca 0.57 -0.85 -0.20 0.00 0.69 0.00 0.00 54.13 54.34 1j5h s LEU 45 Cb 0.46 -2.08 0.08 0.00 -0.43 0.00 0.00 46.19 44.22 1j5h s LEU 45 CO -0.13 -0.37 0.75 0.00 -0.29 0.00 0.00 176.35 176.30 1j5h s ALA 46 N 1.62 3.33 0.31 5.97 0.00 0.15 -3.53 121.76 129.62 1j5h s ALA 46 Ca 0.04 -1.97 -0.19 0.00 0.00 0.00 0.00 51.96 49.85 1j5h s ALA 46 Cb -0.19 -3.56 -0.09 0.00 0.00 0.00 0.00 23.12 19.28 1j5h s ALA 46 CO 0.08 -2.34 0.79 0.00 0.00 0.00 0.00 175.76 174.29 1j5h s ASN 48 N -2.02 5.30 0.00 0.00 2.47 0.40 0.07 114.94 121.16 1j5h s ASN 48 Ca 0.52 -3.14 0.00 0.00 0.42 0.00 0.00 52.86 50.66 1j5h s ASN 48 Cb -0.13 -1.84 0.00 0.00 -1.45 0.00 0.00 41.25 37.84 1j5h s ASN 48 CO 0.18 -0.30 0.91 -0.81 -3.72 0.00 0.00 177.10 173.37 1j5h n PRO 49 N 3.08 0.74 0.00 0.43 -0.04 -1.26 -2.04 135.00 135.92 1j5h n PRO 49 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1j5h n PRO 49 Cb 0.37 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 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 0.85 1.56 -0.12 0.55 0.00 -1.26 -4.78 120.51 117.31 1j5h n ALA 50 Ca 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 53.44 53.01 1j5h n ALA 50 Cb 0.37 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.56 0.00 0.00 3.04 -1.73 -3.43 116.42 113.73 1j5h h ASP 51 Ca 0.00 0.14 0.00 0.00 -3.24 0.00 0.00 57.03 53.93 1j5h h ASP 51 Cb 0.27 0.32 0.00 0.00 -1.04 0.00 0.00 39.33 38.88 1j5h h ASP 51 CO 0.00 -0.19 0.00 0.49 -2.04 0.00 0.00 179.24 177.50 1j5h n PHE 52 N -5.36 0.00 -0.47 4.15 3.72 -1.26 -4.89 117.46 113.34 1j5h n PHE 52 Ca 0.03 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.27 1j5h n PHE 52 Cb 0.27 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.80 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 1.29 -0.64 -3.82 4.37 7.64 -1.26 -4.51 113.62 116.70 1j5h n SER 53 Ca 0.00 0.35 -0.13 0.00 1.01 0.00 0.00 58.87 60.10 1j5h n SER 53 Cb 0.00 -0.32 -0.14 0.00 -1.01 0.00 0.00 64.21 62.74 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 -0.35 -0.06 0.14 6.43 1.04 -1.26 0.48 113.70 120.12 1j5h s SER 54 Ca 0.22 0.15 -0.02 0.00 0.48 0.00 0.00 55.95 56.78 1j5h s SER 54 Cb -0.29 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 1j5h s SER 54 CO 0.20 -0.06 0.09 -0.69 0.98 0.00 0.00 173.24 173.77 1j5h s VAL 55 N 0.39 0.09 0.21 5.02 1.01 -0.88 -4.85 120.40 121.40 1j5h s VAL 55 Ca -0.03 -1.83 0.11 0.00 0.00 0.00 0.00 61.98 60.23 1j5h s VAL 55 Cb -0.04 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 1j5h s VAL 55 CO -0.01 -0.42 -0.23 -0.89 0.00 0.00 0.00 175.10 173.55 1j5h s THR 56 N -4.04 2.36 0.93 3.92 2.01 -1.26 0.17 115.64 119.73 1j5h s THR 56 Ca 0.24 -2.11 -0.13 0.00 0.31 0.00 0.00 61.69 59.99 1j5h s THR 56 Cb 0.07 -2.16 0.20 0.00 0.01 0.00 0.00 72.50 70.62 1j5h s THR 56 CO 0.02 -0.18 1.27 0.00 -0.69 0.00 0.00 174.62 175.04 1j5h s ALA 57 N -1.86 2.52 -0.08 7.40 0.00 -0.40 -3.64 121.76 125.69 1j5h s ALA 57 Ca 0.23 -1.40 -0.00 0.00 0.00 0.00 0.00 51.96 50.79 1j5h s ALA 57 Cb -0.07 -2.58 0.02 0.00 0.00 0.00 0.00 23.12 20.49 1j5h s ALA 57 CO 0.11 -2.33 -0.05 0.16 0.00 0.00 0.00 175.76 173.66 1j5h s ASP 58 N -4.90 1.62 0.00 0.00 1.47 0.28 -3.84 116.67 111.29 1j5h s ASP 58 Ca 0.74 -0.18 0.00 0.00 1.18 0.00 0.00 52.55 54.29 1j5h s ASP 58 Cb -0.03 -0.60 0.00 0.00 -0.34 0.00 0.00 42.92 41.95 1j5h s ASP 58 CO 0.52 -0.11 0.00 0.00 0.68 0.00 0.00 175.17 176.25 1j5h n ALA 59 N 4.68 0.00 -0.29 2.11 0.00 -1.26 0.19 120.51 125.93 1j5h n ALA 59 Ca -0.15 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.40 1j5h n ALA 59 Cb 0.50 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.18 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 0.24 -0.14 0.00 0.00 3.02 -1.26 -3.66 115.26 113.46 1j5h n ASN 60 Ca 0.00 1.43 0.00 0.00 -0.03 0.00 0.00 54.58 55.98 1j5h n ASN 60 Cb 0.00 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 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 -1.44 0.34 3.82 7.41 0.00 0.50 -4.26 105.19 111.57 1j5h n GLY 61 Ca 0.19 0.00 -0.37 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 -0.20 6.97 1.08 1.61 0.01 -1.21 0.11 113.70 122.07 1j5h s SER 62 Ca 0.00 1.23 -0.16 0.00 1.31 0.00 0.00 55.95 58.33 1j5h s SER 62 Cb 0.00 -2.35 0.23 0.00 0.21 0.00 0.00 66.02 64.11 1j5h s SER 62 CO 0.00 0.16 1.11 0.00 0.41 0.00 0.00 173.24 174.92 1j5h s ALA 63 N -1.34 0.90 -0.30 1.44 0.00 -0.58 0.10 121.76 121.98 1j5h s ALA 63 Ca 0.35 -0.68 -0.18 0.00 0.00 0.00 0.00 51.96 51.46 1j5h s ALA 63 Cb -0.17 -2.99 0.17 0.00 0.00 0.00 0.00 23.12 20.13 1j5h s ALA 63 CO 0.20 -3.12 1.24 -1.54 0.00 0.00 0.00 175.76 172.53 1j5h s SER 64 N -3.76 -0.02 0.00 0.00 1.04 -1.23 -1.27 113.70 108.47 1j5h s SER 64 Ca 0.68 0.01 0.00 0.00 0.48 0.00 0.00 55.95 57.12 1j5h s SER 64 Cb -0.14 1.01 0.00 0.00 0.10 0.00 0.00 66.02 66.99 1j5h s SER 64 CO 0.56 -0.00 0.00 1.07 0.98 0.00 0.00 173.24 175.85 1j5h n THR 65 N 5.32 0.00 -4.55 2.02 5.66 0.71 -4.91 114.28 118.52 1j5h n THR 65 Ca -0.02 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.74 1j5h n THR 65 Cb 0.56 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.18 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 -4.00 1.68 0.12 1.09 0.01 -1.26 0.16 113.70 111.50 1j5h s SER 66 Ca 0.00 -0.28 0.08 0.00 1.31 0.00 0.00 55.95 57.06 1j5h s SER 66 Cb 0.00 -0.74 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 1j5h s SER 66 CO 0.00 0.04 -0.20 -0.76 0.41 0.00 0.00 173.24 172.73 1j5h s LEU 67 N 0.61 2.34 -0.61 2.44 1.43 -0.03 -4.88 118.68 119.98 1j5h s LEU 67 Ca -0.13 -0.73 -0.23 0.00 -1.03 0.00 0.00 54.13 52.01 1j5h s LEU 67 Cb -0.15 -0.86 0.06 0.00 0.03 0.00 0.00 46.19 45.27 1j5h s LEU 67 CO 0.03 0.03 0.92 0.28 0.23 0.00 0.00 176.35 177.85 1j5h s THR 68 N -1.41 4.40 -0.73 5.49 -1.32 -1.26 -1.46 115.64 119.34 1j5h s THR 68 Ca 0.09 -0.15 -0.12 0.00 -1.21 0.00 0.00 61.69 60.29 1j5h s THR 68 Cb -0.09 -4.60 -0.10 0.00 -1.51 0.00 0.00 72.50 66.20 1j5h s THR 68 CO 0.05 -1.28 1.91 0.52 -2.21 0.00 0.00 174.62 173.61 1j5h n VAL 69 N 5.99 1.87 -1.67 5.08 0.31 -0.66 -4.76 118.33 124.49 1j5h n VAL 69 Ca -0.02 -1.30 -0.41 0.00 -0.01 0.00 0.00 64.34 62.61 1j5h n VAL 69 Cb 0.46 -2.13 0.02 0.00 -0.91 0.00 0.00 33.84 31.28 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 5.47 1.64 0.00 5.55 1.74 -1.26 -2.31 116.66 127.48 1j5h n ARG 70 Ca 0.42 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 1j5h n ARG 70 Cb 0.23 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.39 1j5h n ARG 70 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1j5h n ARG 71 N -0.12 0.00 -1.98 5.56 0.63 -1.26 -4.65 116.66 114.84 1j5h n ARG 71 Ca 0.08 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.59 1j5h n ARG 71 Cb 0.41 -0.04 -0.03 0.00 0.45 0.00 0.00 32.46 33.25 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 -2.40 6.12 0.34 6.15 0.15 -1.26 -1.39 113.70 121.40 1j5h s SER 72 Ca 0.00 1.63 -0.15 0.00 0.70 0.00 0.00 55.95 58.13 1j5h s SER 72 Cb 0.00 -2.53 0.03 0.00 -1.71 0.00 0.00 66.02 61.82 1j5h s SER 72 CO 0.00 -1.47 0.70 0.72 1.20 0.00 0.00 173.24 174.39 1j5h s PHE 73 N 6.05 0.20 -0.39 3.44 -0.71 -0.63 -4.94 117.98 120.99 1j5h s PHE 73 Ca 0.79 -0.73 0.01 0.00 -1.04 0.00 0.00 56.93 55.96 1j5h s PHE 73 Cb -0.26 0.62 0.12 0.00 -1.21 0.00 0.00 43.02 42.29 1j5h s PHE 73 CO 0.32 -1.38 0.18 -1.83 -1.34 0.00 0.00 175.22 171.18 1j5h s GLU 74 N -2.97 1.11 0.69 1.99 -1.05 -1.26 -0.36 118.70 116.85 1j5h s GLU 74 Ca 0.17 -1.70 0.02 0.00 -0.15 0.00 0.00 54.97 53.31 1j5h s GLU 74 Cb -0.04 -2.27 0.12 0.00 -0.44 0.00 0.00 34.13 31.50 1j5h s GLU 74 CO 0.11 -1.09 0.95 0.20 0.95 0.00 0.00 175.26 176.38 1j5h s GLY 75 N 0.79 1.75 -0.13 -3.83 0.00 -1.25 -4.64 107.32 100.00 1j5h s GLY 75 Ca 0.15 -1.88 -0.02 0.00 0.00 0.00 0.00 44.72 42.96 1j5h s GLY 75 CO -0.08 -1.33 -0.07 -0.11 0.00 0.00 0.00 173.10 171.51 1j5h s PHE 76 N -3.02 2.95 0.16 1.90 -0.71 0.11 -0.50 117.98 118.86 1j5h s PHE 76 Ca 0.66 -0.34 -0.17 0.00 -1.04 0.00 0.00 56.93 56.04 1j5h s PHE 76 Cb -0.05 -1.88 0.07 0.00 -1.21 0.00 0.00 43.02 39.95 1j5h s PHE 76 CO 0.43 -0.02 1.72 -0.07 -1.34 0.00 0.00 175.22 175.94 1j5h h LEU 77 N 6.45 -0.04 0.00 -1.99 4.07 -1.36 -0.87 115.31 121.57 1j5h h LEU 77 Ca -0.32 0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.70 1j5h h LEU 77 Cb 1.19 0.10 0.00 0.00 1.08 0.00 0.00 40.66 43.03 1j5h h LEU 77 CO 0.59 0.01 0.00 0.33 -1.08 0.00 0.00 178.44 178.29 1j5h n PHE 78 N -5.12 0.00 -1.98 1.13 7.35 -1.26 -3.62 117.46 113.96 1j5h n PHE 78 Ca 0.01 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.66 1j5h n PHE 78 Cb 0.16 -0.24 -0.04 0.00 0.35 0.00 0.00 39.48 39.71 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 0.96 -0.64 0.05 -2.13 2.03 -1.26 -5.00 116.55 110.56 1j5h n ASP 79 Ca 0.00 -1.61 0.00 0.00 0.52 0.00 0.00 54.79 53.70 1j5h n ASP 79 Cb 0.00 0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 1j5h n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j5h n GLY 80 N 0.00 -1.62 0.00 0.27 0.00 -1.26 -5.00 105.19 97.58 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 -2.91 0.00 -2.27 2.61 -1.04 -1.26 -5.06 114.28 104.35 1j5h n THR 81 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1j5h n THR 81 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 1j5h n THR 81 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1j5h s ARG 82 N -2.00 4.26 0.00 -2.82 3.52 -1.26 -1.66 118.95 118.99 1j5h s ARG 82 Ca 0.00 1.89 0.00 0.00 -0.13 0.00 0.00 55.73 57.49 1j5h s ARG 82 Cb 0.00 -3.70 0.00 0.00 -1.56 0.00 0.00 34.95 29.69 1j5h s ARG 82 CO 0.00 -0.65 0.17 0.91 -0.81 0.00 0.00 175.30 174.93 1j5h n TRP 83 N 6.02 0.00 0.00 5.12 7.02 0.35 -4.87 117.44 131.08 1j5h n TRP 83 Ca 0.14 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.62 1j5h n TRP 83 Cb 0.44 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.33 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 -0.25 2.59 1.00 6.99 0.00 -1.23 -4.94 105.19 109.36 1j5h n GLY 84 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 0.98 0.00 -5.15 2.61 -1.04 -1.26 -4.78 114.28 105.64 1j5h n THR 85 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 1j5h n THR 85 Cb 0.00 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.34 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 -0.69 1.94 -0.39 12.58 0.11 0.52 -5.00 120.40 129.47 1j5h s VAL 86 Ca 0.00 -0.97 -0.28 0.00 -2.93 0.00 0.00 61.98 57.81 1j5h s VAL 86 Cb 0.00 -1.67 0.02 0.00 -1.53 0.00 0.00 36.38 33.20 1j5h s VAL 86 CO 0.00 0.54 1.03 -1.81 -3.33 0.00 0.00 175.10 171.53 1j5h s ASP 87 N 0.24 6.73 0.27 3.54 1.01 -1.26 -1.61 116.67 125.59 1j5h s ASP 87 Ca -0.14 0.67 -0.02 0.00 0.71 0.00 0.00 52.55 53.77 1j5h s ASP 87 Cb -0.16 -2.51 0.59 0.00 1.01 0.00 0.00 42.92 41.85 1j5h s ASP 87 CO 0.07 -0.98 1.63 0.00 0.21 0.00 0.00 175.17 176.09 1j5h h THR 89 N 0.13 0.66 0.00 0.00 1.03 -1.81 3.69 112.91 116.62 1j5h h THR 89 Ca 0.50 -0.10 -0.05 0.00 -0.01 0.00 0.00 66.41 66.75 1j5h h THR 89 Cb 0.96 0.35 -0.01 0.00 -1.07 0.00 0.00 68.15 68.38 1j5h h THR 89 CO -0.70 0.05 -0.23 0.74 -0.01 0.00 0.00 175.52 175.37 1j5h h THR 90 N 0.29 0.72 0.00 0.00 2.02 0.25 -2.94 112.91 113.26 1j5h h THR 90 Ca 0.43 -1.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 1j5h h THR 90 Cb 1.25 1.62 -0.07 0.00 -1.74 0.00 0.00 68.15 69.21 1j5h h THR 90 CO -0.12 0.23 -0.44 0.00 0.37 0.00 0.00 175.52 175.56 1j5h n ALA 91 N -2.29 2.57 -3.60 6.16 0.00 0.31 -5.00 120.51 118.66 1j5h n ALA 91 Ca -0.01 -2.36 -0.15 0.00 0.00 0.00 0.00 53.44 50.92 1j5h n ALA 91 Cb 0.37 -0.47 -0.01 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.66 -1.51 -0.45 0.00 0.00 1.15 -4.39 120.51 114.66 1j5h n ALA 92 Ca 0.11 -0.20 -0.18 0.00 0.00 0.00 0.00 53.44 53.18 1j5h n ALA 92 Cb 0.76 -0.69 0.17 0.00 0.00 0.00 0.00 19.45 19.69 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 -3.77 0.70 -0.19 0.00 0.00 0.33 -1.30 119.66 115.43 1j5h s GLN 94 Ca 0.39 -1.20 -0.02 0.00 -0.00 0.00 0.00 55.36 54.53 1j5h s GLN 94 Cb -0.07 -0.06 0.06 0.00 0.00 0.00 0.00 33.01 32.94 1j5h s GLN 94 CO 0.33 -0.04 0.02 0.54 0.00 0.00 0.00 175.29 176.13 1j5h s VAL 95 N -3.39 0.66 0.00 3.63 0.11 -0.68 -1.75 120.40 118.98 1j5h s VAL 95 Ca 0.07 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 1j5h s VAL 95 Cb 0.04 -1.10 0.00 0.00 -1.53 0.00 0.00 36.38 33.79 1j5h s VAL 95 CO -0.06 -0.14 0.00 0.61 -3.33 0.00 0.00 175.10 172.18 1j5h n GLY 96 N 5.00 6.04 3.60 6.54 0.00 -0.41 -3.60 105.19 122.36 1j5h n GLY 96 Ca -0.09 -1.66 -0.24 0.00 0.00 0.00 0.00 46.02 44.03 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 3.04 -0.11 0.99 1.02 -1.25 -1.00 118.68 121.37 1j5h s LEU 97 Ca 0.00 -0.70 -0.12 0.00 0.02 0.00 0.00 54.13 53.34 1j5h s LEU 97 Cb 0.00 -1.60 0.03 0.00 0.02 0.00 0.00 46.19 44.65 1j5h s LEU 97 CO 0.00 0.03 0.33 -0.44 0.02 0.00 0.00 176.35 176.29 1j5h s SER 98 N -3.45 -0.33 0.86 2.29 0.01 0.25 -4.71 113.70 108.64 1j5h s SER 98 Ca 0.30 0.60 -0.11 0.00 1.31 0.00 0.00 55.95 58.05 1j5h s SER 98 Cb -0.07 0.64 0.15 0.00 0.21 0.00 0.00 66.02 66.95 1j5h s SER 98 CO 0.18 -0.15 1.20 -1.81 0.41 0.00 0.00 173.24 173.07 1j5h s ASP 99 N 0.00 3.74 0.33 2.44 1.11 -1.26 -0.30 116.67 122.73 1j5h s ASP 99 Ca -0.02 0.23 0.21 0.00 0.18 0.00 0.00 52.55 53.16 1j5h s ASP 99 Cb -0.03 -0.47 1.16 0.00 1.07 0.00 0.00 42.92 44.65 1j5h s ASP 99 CO 0.01 -2.32 1.64 0.00 1.18 0.00 0.00 175.17 175.68 1j5h n ALA 100 N -3.43 1.00 0.69 5.23 0.00 -1.26 0.94 120.51 123.69 1j5h n ALA 100 Ca 0.13 0.20 0.07 0.00 0.00 0.00 0.00 53.44 53.85 1j5h n ALA 100 Cb 0.60 -1.27 -0.09 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.76 3.94 -2.53 0.00 0.00 -1.26 -4.98 120.51 113.91 1j5h n ALA 101 Ca -0.01 -0.44 -0.09 0.00 0.00 0.00 0.00 53.44 52.90 1j5h n ALA 101 Cb 0.06 -0.56 0.01 0.00 0.00 0.00 0.00 19.45 18.96 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 1.38 0.20 3.68 0.00 0.00 0.27 -5.00 105.19 105.72 1j5h n GLY 102 Ca 0.03 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 1j5h n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j5h s ASN 103 N -2.87 3.06 0.40 1.61 0.01 -1.26 -4.76 114.94 111.13 1j5h s ASN 103 Ca 0.11 2.17 0.00 0.00 -0.71 0.00 0.00 52.86 54.43 1j5h s ASN 103 Cb -0.05 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.05 1j5h s ASN 103 CO 0.14 -3.01 0.00 0.61 -1.51 0.00 0.00 177.10 173.33 1j5h n GLY 104 N 0.11 -2.13 0.00 0.66 0.00 -1.26 -4.40 105.19 98.17 1j5h n GLY 104 Ca 0.12 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1j5h n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j5h n PRO 105 N -3.82 0.83 0.00 1.61 -0.04 -1.26 -4.98 135.00 127.34 1j5h n PRO 105 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1j5h n PRO 105 Cb 0.60 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.06 1j5h n PRO 105 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1j5h n GLU 106 N -0.14 0.00 0.00 0.54 4.71 -1.26 -4.68 120.64 119.81 1j5h n GLU 106 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1j5h n GLU 106 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1j5h n GLU 106 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1j5h n GLY 107 N 2.43 0.26 3.35 0.62 0.00 -1.25 -3.66 105.19 106.94 1j5h n GLY 107 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1j5h n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j5h s VAL 108 N 0.00 0.04 -0.46 1.61 0.11 -1.09 -4.31 120.40 116.29 1j5h s VAL 108 Ca 0.00 -0.30 -0.29 0.00 -2.93 0.00 0.00 61.98 58.46 1j5h s VAL 108 Cb 0.00 -0.78 0.03 0.00 -1.53 0.00 0.00 36.38 34.10 1j5h s VAL 108 CO 0.00 -0.17 1.13 0.00 -3.33 0.00 0.00 175.10 172.73 1j5h s ALA 109 N -1.37 3.20 -0.09 1.54 0.00 -1.26 -1.69 121.76 122.09 1j5h s ALA 109 Ca -0.12 -0.42 -0.11 0.00 0.00 0.00 0.00 51.96 51.31 1j5h s ALA 109 Cb -0.03 -3.87 -0.05 0.00 0.00 0.00 0.00 23.12 19.18 1j5h s ALA 109 CO 0.06 -2.16 0.25 0.42 0.00 0.00 0.00 175.76 174.33 1j5h s ILE 110 N 4.35 5.31 -0.97 0.00 1.01 -0.42 -4.93 121.20 125.55 1j5h s ILE 110 Ca 0.48 0.47 -0.16 0.00 0.00 0.00 0.00 60.65 61.43 1j5h s ILE 110 Cb -0.08 -3.54 0.17 0.00 0.01 0.00 0.00 42.46 39.03 1j5h s ILE 110 CO 0.30 0.57 1.10 -0.44 0.00 0.00 0.00 174.94 176.46 1j5h s SER 111 N -0.81 6.81 -0.06 3.58 0.01 -0.77 -4.25 113.70 118.21 1j5h s SER 111 Ca 0.18 -2.52 -0.30 0.00 1.31 0.00 0.00 55.95 54.62 1j5h s SER 111 Cb -0.14 -2.34 -0.05 0.00 0.21 0.00 0.00 66.02 63.71 1j5h s SER 111 CO 0.07 -0.82 1.55 -0.36 0.41 0.00 0.00 173.24 174.10 1j5h s PHE 112 N 1.52 2.26 0.00 2.43 0.40 -1.26 0.20 117.98 123.52 1j5h s PHE 112 Ca 0.31 0.42 0.00 0.00 -0.60 0.00 0.00 56.93 57.06 1j5h s PHE 112 Cb -0.06 -3.81 0.00 0.00 0.51 0.00 0.00 43.02 39.65 1j5h s PHE 112 CO -0.07 -3.30 0.00 0.09 0.70 0.00 0.00 175.22 172.64