#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 0.67 -2.32 0.00 0.00 -1.26 -5.09 120.51 112.51 1j5h n ALA 2 Ca 0.00 -2.48 -0.41 0.00 0.00 0.00 0.00 53.44 50.55 1j5h n ALA 2 Cb 0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.78 3.14 -0.28 0.00 0.04 -1.26 -4.55 135.00 131.31 1j5h s PRO 3 Ca 0.33 0.43 -0.21 0.00 0.04 0.00 0.00 61.00 61.59 1j5h s PRO 3 Cb 0.27 -4.20 0.09 0.00 0.04 0.00 0.00 34.50 30.70 1j5h s PRO 3 CO -0.12 -2.14 0.78 0.95 0.04 0.00 0.00 177.00 176.51 1j5h s THR 4 N 6.72 0.00 0.35 1.26 -4.23 0.07 -4.86 115.64 114.96 1j5h s THR 4 Ca 0.54 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 61.12 1j5h s THR 4 Cb -0.11 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.72 1j5h s THR 4 CO 0.23 0.00 0.49 0.00 -0.54 0.00 0.00 174.62 174.80 1j5h s ALA 5 N 0.90 4.29 0.06 3.99 0.00 -0.40 0.17 121.76 130.76 1j5h s ALA 5 Ca -0.04 -1.49 -0.17 0.00 0.00 0.00 0.00 51.96 50.25 1j5h s ALA 5 Cb -0.05 -1.68 0.03 0.00 0.00 0.00 0.00 23.12 21.43 1j5h s ALA 5 CO -0.09 -0.09 0.40 0.95 0.00 0.00 0.00 175.76 176.94 1j5h s THR 6 N -2.21 0.06 -0.00 0.00 -4.23 0.12 -3.96 115.64 105.42 1j5h s THR 6 Ca 0.47 -0.50 0.05 0.00 -1.18 0.00 0.00 61.69 60.54 1j5h s THR 6 Cb -0.10 -0.99 -0.02 0.00 1.34 0.00 0.00 72.50 72.73 1j5h s THR 6 CO 0.32 -0.27 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.26 1j5h s VAL 7 N -2.73 1.36 0.11 2.29 1.01 -1.26 -1.06 120.40 120.12 1j5h s VAL 7 Ca -0.04 -0.81 -0.22 0.00 0.00 0.00 0.00 61.98 60.92 1j5h s VAL 7 Cb -0.00 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 1j5h s VAL 7 CO -0.04 0.32 1.13 0.41 0.00 0.00 0.00 175.10 176.92 1j5h n THR 8 N 2.49 -0.47 -0.29 3.92 -1.04 -0.00 -4.44 114.28 114.45 1j5h n THR 8 Ca -0.15 1.77 0.00 0.00 -2.04 0.00 0.00 64.05 63.63 1j5h n THR 8 Cb 0.54 -2.20 0.00 0.00 -1.82 0.00 0.00 70.33 66.85 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 -4.77 0.42 0.00 -2.82 -0.04 -1.26 -5.04 135.00 121.49 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 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.64 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 -1.16 0.00 -3.67 3.54 3.41 -1.26 -5.08 113.62 109.40 1j5h n SER 10 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 1j5h n SER 10 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 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 -0.63 -0.17 -0.44 4.04 1.04 -1.25 -2.01 113.70 114.28 1j5h s SER 11 Ca 0.00 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1j5h s SER 11 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1j5h s SER 11 CO 0.00 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1j5h n GLY 12 N -0.42 0.54 0.00 7.32 0.00 0.71 -4.84 105.19 108.51 1j5h n GLY 12 Ca -0.07 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.55 0.00 -3.48 0.99 4.77 -0.73 -3.61 117.00 114.38 1j5h n LEU 13 Ca -0.05 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.83 1j5h n LEU 13 Cb 0.28 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 1j5h n LEU 13 CO 0.07 0.00 0.46 -0.55 -1.33 0.00 0.00 177.39 176.04 1j5h s SER 14 N -1.42 -0.50 -0.80 -1.43 0.15 -1.26 -0.11 113.70 108.33 1j5h s SER 14 Ca 0.00 -0.06 -0.24 0.00 0.70 0.00 0.00 55.95 56.34 1j5h s SER 14 Cb 0.00 0.57 -0.16 0.00 -1.71 0.00 0.00 66.02 64.72 1j5h s SER 14 CO 0.00 -0.94 2.39 -0.67 1.20 0.00 0.00 173.24 175.22 1j5h n ASP 15 N -0.37 1.46 -0.07 5.45 2.03 -1.26 -0.25 116.55 123.54 1j5h n ASP 15 Ca -0.14 -1.32 0.00 0.00 0.52 0.00 0.00 54.79 53.85 1j5h n ASP 15 Cb 0.64 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 1j5h n ASP 15 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j5h n GLY 16 N 6.62 0.98 3.58 0.27 0.00 -1.14 -4.70 105.19 110.79 1j5h n GLY 16 Ca 0.49 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.12 3.60 -0.80 2.61 2.01 0.65 -4.52 115.64 117.08 1j5h s THR 17 Ca 0.00 -0.91 -0.25 0.00 0.31 0.00 0.00 61.69 60.83 1j5h s THR 17 Cb 0.00 -4.54 -0.02 0.00 0.01 0.00 0.00 72.50 67.94 1j5h s THR 17 CO 0.00 -1.12 1.82 -0.69 -0.69 0.00 0.00 174.62 173.94 1j5h s VAL 18 N 9.96 3.48 0.33 3.82 1.01 -1.25 -1.89 120.40 135.85 1j5h s VAL 18 Ca 0.66 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.54 1j5h s VAL 18 Cb -0.01 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 1j5h s VAL 18 CO 0.09 -1.10 0.05 0.68 0.00 0.00 0.00 175.10 174.83 1j5h s VAL 19 N 8.91 1.24 0.39 2.92 -7.23 -0.62 -4.83 120.40 121.18 1j5h s VAL 19 Ca 0.64 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.55 1j5h s VAL 19 Cb -0.08 -2.80 -0.11 0.00 0.56 0.00 0.00 36.38 33.95 1j5h s VAL 19 CO 0.07 -0.01 1.26 0.29 -0.31 0.00 0.00 175.10 176.40 1j5h n LYS 20 N -0.70 1.95 -3.82 4.82 5.02 -1.26 -0.52 118.16 123.66 1j5h n LYS 20 Ca -0.02 0.69 -0.12 0.00 -2.02 0.00 0.00 58.31 56.83 1j5h n LYS 20 Cb 0.67 -2.34 -0.12 0.00 -0.02 0.00 0.00 35.03 33.21 1j5h n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1j5h s VAL 21 N -1.17 0.00 0.04 -0.18 1.01 0.42 -0.82 120.40 119.70 1j5h s VAL 21 Ca 0.59 -0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.55 1j5h s VAL 21 Cb -0.53 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 1j5h s VAL 21 CO 0.59 -0.01 -0.03 0.00 0.00 0.00 0.00 175.10 175.65 1j5h s ALA 22 N 0.05 0.37 0.00 5.51 0.00 -0.22 0.47 121.76 127.94 1j5h s ALA 22 Ca -0.00 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1j5h s ALA 22 Cb -0.01 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.32 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 0.73 1.48 0.00 0.00 0.00 -0.19 0.14 105.19 107.35 1j5h n GLY 23 Ca -0.18 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.76 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 0.91 0.00 0.29 4.61 0.00 0.13 -1.11 120.51 125.34 1j5h n ALA 24 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1j5h n ALA 24 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.33 3.40 0.00 0.00 -1.26 -0.75 105.19 106.25 1j5h n GLY 25 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 1j5h n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j5h n LEU 26 N -1.16 -4.55 0.00 0.99 7.94 -0.98 -4.43 117.00 114.82 1j5h n LEU 26 Ca 0.03 -0.53 0.00 0.00 -1.11 0.00 0.00 56.01 54.40 1j5h n LEU 26 Cb 0.03 -2.61 0.00 0.00 0.53 0.00 0.00 43.42 41.37 1j5h n LEU 26 CO 0.04 -0.35 0.00 1.67 -1.11 0.00 0.00 177.39 177.63 1j5h n GLN 27 N -2.44 0.00 0.00 1.96 0.00 0.38 -4.65 117.38 112.63 1j5h n GLN 27 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.87 1j5h n GLN 27 Cb 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 30.24 30.76 1j5h n GLN 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1j5h n ALA 28 N -2.23 0.00 -3.97 1.69 0.00 -1.25 -4.03 120.51 110.73 1j5h n ALA 28 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1j5h n ALA 28 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.45 3.71 0.00 0.00 -1.21 -4.89 105.19 102.35 1j5h n GLY 29 Ca 0.00 0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 1j5h n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5h s THR 30 N -3.07 3.96 0.56 2.61 2.01 -1.26 -4.69 115.64 115.76 1j5h s THR 30 Ca 0.63 -1.35 -0.21 0.00 0.31 0.00 0.00 61.69 61.07 1j5h s THR 30 Cb -0.35 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 1j5h s THR 30 CO 0.77 -0.14 1.29 0.00 -0.69 0.00 0.00 174.62 175.85 1j5h s ALA 31 N -1.79 2.70 -0.44 7.40 0.00 -1.26 -1.17 121.76 127.20 1j5h s ALA 31 Ca 0.29 1.19 0.05 0.00 0.00 0.00 0.00 51.96 53.49 1j5h s ALA 31 Cb -0.09 -3.52 0.19 0.00 0.00 0.00 0.00 23.12 19.70 1j5h s ALA 31 CO 0.20 -1.27 0.50 0.66 0.00 0.00 0.00 175.76 175.85 1j5h n TYR 32 N -1.23 -1.78 -1.68 0.00 4.01 0.13 -4.61 117.16 112.01 1j5h n TYR 32 Ca 0.12 -2.73 -0.48 0.00 -0.16 0.00 0.00 57.90 54.65 1j5h n TYR 32 Cb 0.47 0.59 -0.05 0.00 -0.31 0.00 0.00 39.34 40.04 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 2.62 3.54 -4.55 7.72 2.03 0.46 -1.63 116.55 126.75 1j5h n ASP 33 Ca 0.25 0.96 -0.33 0.00 0.52 0.00 0.00 54.79 56.18 1j5h n ASP 33 Cb 0.52 -1.39 0.12 0.00 -0.72 0.00 0.00 41.12 39.65 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 5.23 0.98 0.00 5.18 0.31 0.26 0.67 118.33 130.96 1j5h n VAL 34 Ca 0.22 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1j5h n VAL 34 Cb 0.31 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.36 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 1.06 0.11 1.82 2.92 0.00 -0.15 -4.45 105.19 106.49 1j5h n GLY 35 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.10 -2.56 -4.59 1.61 -0.06 -1.24 -4.22 117.38 104.21 1j5h n GLN 36 Ca 0.00 2.13 -0.28 0.00 -2.00 0.00 0.00 57.00 56.84 1j5h n GLN 36 Cb 0.00 -2.81 -0.08 0.00 -4.06 0.00 0.00 30.24 23.29 1j5h n GLN 36 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j5h n ALA 38 N -1.03 3.38 -1.87 0.00 0.00 0.27 -0.87 120.51 120.38 1j5h n ALA 38 Ca -0.10 -4.25 -0.40 0.00 0.00 0.00 0.00 53.44 48.69 1j5h n ALA 38 Cb 0.65 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 1j5h n ALA 38 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1j5h s TRP 39 N -1.34 1.51 0.00 0.00 -0.00 -1.26 -1.00 118.94 116.84 1j5h s TRP 39 Ca 0.29 0.91 0.00 0.00 -0.00 0.00 0.00 56.10 57.30 1j5h s TRP 39 Cb 0.02 -3.96 0.00 0.00 -0.00 0.00 0.00 33.47 29.53 1j5h s TRP 39 CO -0.15 -2.73 0.00 0.28 -0.00 0.00 0.00 176.95 174.35 1j5h n VAL 40 N 7.52 0.00 -0.16 5.86 0.31 -0.21 -4.68 118.33 126.97 1j5h n VAL 40 Ca 0.26 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.48 1j5h n VAL 40 Cb 0.50 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.54 1j5h n VAL 40 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1j5h n ASP 41 N 0.00 -2.52 -4.56 4.52 8.00 -1.25 -4.67 116.55 116.07 1j5h n ASP 41 Ca 0.00 -0.31 -0.31 0.00 0.71 0.00 0.00 54.79 54.88 1j5h n ASP 41 Cb 0.00 -0.41 -0.04 0.00 -0.02 0.00 0.00 41.12 40.65 1j5h n ASP 41 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1j5h s THR 42 N -1.37 3.56 0.00 -3.53 2.01 -1.26 -1.91 115.64 113.14 1j5h s THR 42 Ca 0.24 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.83 1j5h s THR 42 Cb -0.04 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.19 1j5h s THR 42 CO 0.20 -1.21 0.00 0.61 -0.69 0.00 0.00 174.62 173.53 1j5h n GLY 43 N 6.75 0.59 2.45 4.40 0.00 -1.26 -4.98 105.19 113.14 1j5h n GLY 43 Ca 0.36 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.25 4.22 -3.27 1.61 0.31 -0.80 -4.87 118.33 114.28 1j5h n VAL 44 Ca 0.00 -3.51 -0.46 0.00 -0.01 0.00 0.00 64.34 60.37 1j5h n VAL 44 Cb 0.00 -1.87 -0.05 0.00 -0.91 0.00 0.00 33.84 31.01 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 -1.97 5.94 -0.91 7.52 0.20 -1.25 -1.04 118.68 127.17 1j5h s LEU 45 Ca 0.58 -1.65 -0.21 0.00 0.69 0.00 0.00 54.13 53.53 1j5h s LEU 45 Cb 0.28 -2.23 0.08 0.00 -0.43 0.00 0.00 46.19 43.89 1j5h s LEU 45 CO -0.15 -0.89 1.23 0.00 -0.29 0.00 0.00 176.35 176.25 1j5h s ALA 46 N 1.86 3.04 0.82 5.97 0.00 -0.17 -3.91 121.76 129.37 1j5h s ALA 46 Ca 0.05 -2.34 -0.11 0.00 0.00 0.00 0.00 51.96 49.57 1j5h s ALA 46 Cb -0.28 -4.21 0.08 0.00 0.00 0.00 0.00 23.12 18.71 1j5h s ALA 46 CO 0.04 -3.21 1.10 0.00 0.00 0.00 0.00 175.76 173.70 1j5h s ASN 48 N -3.24 5.41 0.00 0.00 2.47 0.12 0.22 114.94 119.92 1j5h s ASN 48 Ca 0.63 -3.53 0.00 0.00 0.42 0.00 0.00 52.86 50.38 1j5h s ASN 48 Cb -0.18 -1.81 0.00 0.00 -1.45 0.00 0.00 41.25 37.81 1j5h s ASN 48 CO 0.57 -0.20 0.79 -0.81 -3.72 0.00 0.00 177.10 173.73 1j5h n PRO 49 N 2.53 0.76 0.00 0.43 -0.04 -1.26 -1.83 135.00 135.58 1j5h n PRO 49 Ca 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1j5h n PRO 49 Cb 0.36 -1.12 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 0.67 1.09 0.20 0.55 0.00 -1.26 -4.85 120.51 116.90 1j5h n ALA 50 Ca 0.00 -0.52 -0.15 0.00 0.00 0.00 0.00 53.44 52.77 1j5h n ALA 50 Cb 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.95 0.00 0.00 2.03 -1.56 -3.44 116.42 112.50 1j5h h ASP 51 Ca 0.00 0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 1j5h h ASP 51 Cb 0.81 0.33 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 1j5h h ASP 51 CO 0.00 -0.47 0.00 0.49 -1.03 0.00 0.00 179.24 178.23 1j5h n PHE 52 N -5.45 0.00 -1.11 4.15 3.72 -1.26 -4.91 117.46 112.61 1j5h n PHE 52 Ca -0.09 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.95 1j5h n PHE 52 Cb 0.35 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.91 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 1.02 -3.95 -3.76 4.37 7.64 -1.26 -4.61 113.62 113.07 1j5h n SER 53 Ca 0.00 0.51 -0.13 0.00 1.01 0.00 0.00 58.87 60.26 1j5h n SER 53 Cb 0.00 -0.77 -0.11 0.00 -1.01 0.00 0.00 64.21 62.32 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 -0.93 -0.31 0.32 6.43 1.04 -1.26 0.89 113.70 119.88 1j5h s SER 54 Ca 0.49 0.57 0.03 0.00 0.48 0.00 0.00 55.95 57.52 1j5h s SER 54 Cb -0.39 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 1j5h s SER 54 CO 0.65 -0.15 0.11 0.54 0.98 0.00 0.00 173.24 175.37 1j5h s VAL 55 N -0.02 0.66 0.12 5.02 0.11 -0.64 -4.83 120.40 120.81 1j5h s VAL 55 Ca -0.02 -2.00 0.10 0.00 -2.93 0.00 0.00 61.98 57.13 1j5h s VAL 55 Cb -0.03 -2.58 -0.04 0.00 -1.53 0.00 0.00 36.38 32.20 1j5h s VAL 55 CO 0.01 0.00 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.65 1j5h s THR 56 N -3.49 2.01 0.67 5.04 2.01 -1.26 0.19 115.64 120.82 1j5h s THR 56 Ca 0.34 -1.67 -0.10 0.00 0.31 0.00 0.00 61.69 60.57 1j5h s THR 56 Cb 0.06 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.78 1j5h s THR 56 CO 0.15 0.02 1.03 0.00 -0.69 0.00 0.00 174.62 175.14 1j5h s ALA 57 N -1.12 3.03 -0.15 7.40 0.00 -0.32 -2.41 121.76 128.19 1j5h s ALA 57 Ca 0.11 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.64 1j5h s ALA 57 Cb -0.10 -2.90 0.02 0.00 0.00 0.00 0.00 23.12 20.14 1j5h s ALA 57 CO 0.05 -1.01 -0.16 0.16 0.00 0.00 0.00 175.76 174.81 1j5h s ASP 58 N -4.33 2.73 0.00 0.00 1.47 0.82 -3.32 116.67 114.04 1j5h s ASP 58 Ca 0.57 -0.51 0.00 0.00 1.18 0.00 0.00 52.55 53.79 1j5h s ASP 58 Cb -0.11 -1.22 0.00 0.00 -0.34 0.00 0.00 42.92 41.25 1j5h s ASP 58 CO 0.50 -0.03 0.00 0.00 0.68 0.00 0.00 175.17 176.32 1j5h n ALA 59 N 4.62 0.00 -0.28 2.11 0.00 -1.26 0.15 120.51 125.85 1j5h n ALA 59 Ca -0.18 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.42 1j5h n ALA 59 Cb 0.50 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.26 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 0.52 -0.00 0.00 0.00 3.02 -1.26 -3.95 115.26 113.58 1j5h n ASN 60 Ca 0.00 1.40 0.00 0.00 -0.03 0.00 0.00 54.58 55.95 1j5h n ASN 60 Cb 0.00 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.62 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 -1.37 1.05 3.74 7.41 0.00 0.41 -4.06 105.19 112.37 1j5h n GLY 61 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 1j5h n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j5h s SER 62 N -1.47 6.97 1.08 1.61 0.15 -1.20 -0.47 113.70 120.37 1j5h s SER 62 Ca 0.00 1.16 -0.13 0.00 0.70 0.00 0.00 55.95 57.67 1j5h s SER 62 Cb 0.00 -2.38 0.19 0.00 -1.71 0.00 0.00 66.02 62.12 1j5h s SER 62 CO 0.00 0.00 0.80 0.00 1.20 0.00 0.00 173.24 175.24 1j5h n ALA 63 N 3.22 -2.59 -3.13 5.45 0.00 -0.27 -0.13 120.51 123.07 1j5h n ALA 63 Ca -0.04 -0.98 0.05 0.00 0.00 0.00 0.00 53.44 52.46 1j5h n ALA 63 Cb 0.51 -1.94 -0.00 0.00 0.00 0.00 0.00 19.45 18.02 1j5h n ALA 63 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1j5h s SER 64 N -2.32 -0.89 0.00 0.00 1.04 -1.01 -1.02 113.70 109.50 1j5h s SER 64 Ca 0.65 0.06 0.00 0.00 0.48 0.00 0.00 55.95 57.14 1j5h s SER 64 Cb -0.22 1.53 0.00 0.00 0.10 0.00 0.00 66.02 67.43 1j5h s SER 64 CO 0.64 -0.16 0.00 1.07 0.98 0.00 0.00 173.24 175.77 1j5h n THR 65 N 5.13 0.00 -2.69 2.02 5.66 0.18 -4.69 114.28 119.89 1j5h n THR 65 Ca 0.08 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.65 1j5h n THR 65 Cb 0.57 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.32 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 6.70 0.07 1.09 1.04 -1.26 0.16 113.70 121.50 1j5h s SER 66 Ca 0.00 0.59 0.03 0.00 0.48 0.00 0.00 55.95 57.06 1j5h s SER 66 Cb 0.00 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 1j5h s SER 66 CO 0.00 -1.04 0.04 -0.76 0.98 0.00 0.00 173.24 172.46 1j5h s LEU 67 N 3.93 3.63 -0.53 2.42 1.43 0.32 -4.80 118.68 125.09 1j5h s LEU 67 Ca 0.43 -0.07 -0.25 0.00 -1.03 0.00 0.00 54.13 53.22 1j5h s LEU 67 Cb -0.10 -2.29 0.04 0.00 0.03 0.00 0.00 46.19 43.87 1j5h s LEU 67 CO 0.24 0.20 0.99 0.28 0.23 0.00 0.00 176.35 178.28 1j5h s THR 68 N -1.30 4.34 -1.52 5.49 -1.32 -1.26 -1.60 115.64 118.47 1j5h s THR 68 Ca 0.26 0.53 -0.11 0.00 -1.21 0.00 0.00 61.69 61.15 1j5h s THR 68 Cb -0.12 -4.55 -0.01 0.00 -1.51 0.00 0.00 72.50 66.31 1j5h s THR 68 CO 0.18 -1.09 2.57 0.52 -2.21 0.00 0.00 174.62 174.60 1j5h n VAL 69 N 6.35 4.05 -1.58 5.08 0.31 -0.79 -4.76 118.33 126.98 1j5h n VAL 69 Ca 0.04 -2.98 -0.41 0.00 -0.01 0.00 0.00 64.34 60.98 1j5h n VAL 69 Cb 0.48 -2.56 0.01 0.00 -0.91 0.00 0.00 33.84 30.86 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 4.46 1.17 0.00 5.55 1.74 -1.26 -2.81 116.66 125.51 1j5h n ARG 70 Ca 0.65 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 58.15 1j5h n ARG 70 Cb 0.30 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 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 0.11 0.00 -2.41 5.56 0.63 -1.26 -4.63 116.66 114.67 1j5h n ARG 71 Ca 0.10 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.64 1j5h n ARG 71 Cb 0.40 -0.01 -0.03 0.00 0.45 0.00 0.00 32.46 33.27 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 -0.91 5.97 0.26 6.15 0.15 -1.26 -1.43 113.70 122.63 1j5h s SER 72 Ca 0.00 -0.52 -0.03 0.00 0.70 0.00 0.00 55.95 56.10 1j5h s SER 72 Cb 0.00 -2.56 0.01 0.00 -1.71 0.00 0.00 66.02 61.77 1j5h s SER 72 CO 0.00 -1.95 0.40 2.22 1.20 0.00 0.00 173.24 175.11 1j5h n PHE 73 N 10.33 -1.34 -3.85 3.44 -1.74 -0.60 -4.90 117.46 118.80 1j5h n PHE 73 Ca 0.16 -1.65 -0.36 0.00 -0.56 0.00 0.00 57.45 55.04 1j5h n PHE 73 Cb 0.50 0.46 -0.13 0.00 1.52 0.00 0.00 39.48 41.82 1j5h n PHE 73 CO 0.00 0.00 0.00 -1.83 -0.56 0.00 0.00 176.76 174.37 1j5h s GLU 74 N -2.48 3.24 0.30 3.97 1.03 -1.26 -0.33 118.70 123.17 1j5h s GLU 74 Ca 0.19 -0.73 0.08 0.00 0.03 0.00 0.00 54.97 54.54 1j5h s GLU 74 Cb -0.01 -3.16 -0.03 0.00 -0.80 0.00 0.00 34.13 30.12 1j5h s GLU 74 CO 0.14 -0.30 0.20 0.20 -1.33 0.00 0.00 175.26 174.17 1j5h s GLY 75 N 1.48 1.67 -0.10 -3.83 0.00 -1.26 -4.81 107.32 100.47 1j5h s GLY 75 Ca 0.04 -1.60 0.02 0.00 0.00 0.00 0.00 44.72 43.18 1j5h s GLY 75 CO -0.01 -1.58 -0.16 -1.36 0.00 0.00 0.00 173.10 169.99 1j5h s PHE 76 N -2.27 2.71 0.14 1.90 0.40 0.13 -1.68 117.98 119.31 1j5h s PHE 76 Ca 0.37 -0.58 -0.30 0.00 -0.60 0.00 0.00 56.93 55.81 1j5h s PHE 76 Cb -0.06 -1.74 -0.08 0.00 0.51 0.00 0.00 43.02 41.64 1j5h s PHE 76 CO 0.25 -0.14 1.52 -0.07 0.70 0.00 0.00 175.22 177.48 1j5h h LEU 77 N 6.29 -1.96 0.00 -0.37 3.38 -1.37 0.48 115.31 121.76 1j5h h LEU 77 Ca -0.31 0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1j5h h LEU 77 Cb 1.20 0.84 0.00 0.00 0.09 0.00 0.00 40.66 42.79 1j5h h LEU 77 CO 0.52 -0.29 0.00 0.33 0.09 0.00 0.00 178.44 179.09 1j5h n PHE 78 N -5.20 0.00 0.00 1.13 7.35 -1.26 -4.31 117.46 115.17 1j5h n PHE 78 Ca -0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1j5h n PHE 78 Cb 0.28 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.11 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 0.00 -0.76 -2.13 8.00 -1.26 -4.98 116.55 115.42 1j5h n ASP 79 Ca 0.00 0.09 -0.04 0.00 0.71 0.00 0.00 54.79 55.55 1j5h n ASP 79 Cb 0.00 -0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 40.73 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 1.92 0.04 2.74 0.44 0.00 -1.26 -5.09 105.19 103.98 1j5h n GLY 80 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.93 0.38 2.61 2.01 -1.26 -5.04 115.64 115.27 1j5h s THR 81 Ca 0.00 -1.47 -0.02 0.00 0.31 0.00 0.00 61.69 60.50 1j5h s THR 81 Cb 0.00 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 1j5h s THR 81 CO 0.00 -0.69 0.62 0.00 -0.69 0.00 0.00 174.62 173.87 1j5h s ARG 82 N 1.54 3.53 -0.13 4.92 1.70 -1.26 -1.47 118.95 127.78 1j5h s ARG 82 Ca 0.10 -0.11 -0.08 0.00 -0.47 0.00 0.00 55.73 55.18 1j5h s ARG 82 Cb -0.18 -2.57 -0.03 0.00 -0.57 0.00 0.00 34.95 31.61 1j5h s ARG 82 CO -0.24 0.05 -0.15 -1.49 -1.08 0.00 0.00 175.30 172.40 1j5h h TRP 83 N 0.76 0.00 0.00 5.89 4.06 -1.71 -3.47 115.95 121.49 1j5h h TRP 83 Ca -0.49 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.46 1j5h h TRP 83 Cb 1.21 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.37 1j5h h TRP 83 CO 0.54 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.83 1j5h n GLY 84 N 1.64 1.22 1.10 1.49 0.00 -1.26 -4.92 105.19 104.46 1j5h n GLY 84 Ca -0.06 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 1.25 0.00 -4.83 2.61 -1.04 -1.25 -4.78 114.28 106.23 1j5h n THR 85 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 1j5h n THR 85 Cb 0.00 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.36 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 -0.57 1.80 -0.33 12.58 0.11 0.55 -4.95 120.40 129.60 1j5h s VAL 86 Ca 0.00 -1.17 -0.27 0.00 -2.93 0.00 0.00 61.98 57.61 1j5h s VAL 86 Cb 0.00 -1.54 0.01 0.00 -1.53 0.00 0.00 36.38 33.32 1j5h s VAL 86 CO 0.00 0.32 0.98 -1.81 -3.33 0.00 0.00 175.10 171.27 1j5h s ASP 87 N -1.01 6.82 0.14 3.54 1.11 -1.26 -1.56 116.67 124.46 1j5h s ASP 87 Ca 0.09 0.87 -0.14 0.00 0.18 0.00 0.00 52.55 53.55 1j5h s ASP 87 Cb -0.09 -2.50 0.02 0.00 1.07 0.00 0.00 42.92 41.42 1j5h s ASP 87 CO 0.01 -0.82 1.67 0.00 1.18 0.00 0.00 175.17 177.21 1j5h h THR 89 N 0.61 0.05 0.00 0.00 1.03 -1.82 2.94 112.91 115.72 1j5h h THR 89 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.55 1j5h h THR 89 Cb 0.25 0.59 0.00 0.00 -1.07 0.00 0.00 68.15 67.92 1j5h h THR 89 CO -0.01 0.00 -0.63 0.74 -0.01 0.00 0.00 175.52 175.62 1j5h h THR 90 N 0.00 0.00 0.00 0.00 2.02 -1.59 -3.31 112.91 110.03 1j5h h THR 90 Ca 0.03 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1j5h h THR 90 Cb 0.89 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1j5h h THR 90 CO -0.00 0.00 -0.13 0.00 0.37 0.00 0.00 175.52 175.76 1j5h n ALA 91 N -1.93 1.95 -3.70 6.16 0.00 0.68 -5.02 120.51 118.65 1j5h n ALA 91 Ca 0.03 -1.53 -0.26 0.00 0.00 0.00 0.00 53.44 51.67 1j5h n ALA 91 Cb 0.47 -0.27 0.01 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.65 -2.34 -0.49 0.00 0.00 0.83 -4.32 120.51 113.54 1j5h n ALA 92 Ca 0.06 -0.31 -0.25 0.00 0.00 0.00 0.00 53.44 52.94 1j5h n ALA 92 Cb 0.55 -1.08 0.19 0.00 0.00 0.00 0.00 19.45 19.11 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 -3.87 0.51 -0.33 0.00 0.00 -0.05 -1.47 119.66 114.45 1j5h s GLN 94 Ca 0.50 -0.85 0.03 0.00 -0.00 0.00 0.00 55.36 55.04 1j5h s GLN 94 Cb -0.10 0.19 0.10 0.00 0.00 0.00 0.00 33.01 33.19 1j5h s GLN 94 CO 0.48 -0.11 0.04 0.54 0.00 0.00 0.00 175.29 176.24 1j5h s VAL 95 N -2.65 2.15 0.34 3.63 0.11 -0.59 -1.03 120.40 122.36 1j5h s VAL 95 Ca -0.05 -2.19 0.08 0.00 -2.93 0.00 0.00 61.98 56.89 1j5h s VAL 95 Cb -0.01 -2.56 -0.04 0.00 -1.53 0.00 0.00 36.38 32.24 1j5h s VAL 95 CO -0.05 -0.54 0.19 -0.83 -3.33 0.00 0.00 175.10 170.54 1j5h s GLY 96 N 0.98 1.92 -0.05 6.54 0.00 -1.26 -3.91 107.32 111.55 1j5h s GLY 96 Ca 0.09 -1.79 -0.02 0.00 0.00 0.00 0.00 44.72 42.99 1j5h s GLY 96 CO -0.09 -1.72 0.06 1.08 0.00 0.00 0.00 173.10 172.43 1j5h s LEU 97 N -3.89 3.84 0.03 0.66 2.01 -1.26 -0.98 118.68 119.09 1j5h s LEU 97 Ca 0.39 0.19 0.09 0.00 0.01 0.00 0.00 54.13 54.80 1j5h s LEU 97 Cb -0.03 -2.07 -0.03 0.00 0.01 0.00 0.00 46.19 44.08 1j5h s LEU 97 CO 0.24 0.33 -0.26 -0.44 1.01 0.00 0.00 176.35 177.23 1j5h s SER 98 N -1.32 3.18 0.55 2.29 0.01 0.21 -4.66 113.70 113.97 1j5h s SER 98 Ca 0.18 -0.55 0.06 0.00 1.31 0.00 0.00 55.95 56.96 1j5h s SER 98 Cb -0.12 -0.33 0.06 0.00 0.21 0.00 0.00 66.02 65.85 1j5h s SER 98 CO 0.08 0.28 0.52 -0.90 0.41 0.00 0.00 173.24 173.62 1j5h n ASP 99 N 1.94 2.56 -0.23 2.44 5.68 -1.26 0.18 116.55 127.85 1j5h n ASP 99 Ca -0.17 -2.78 0.01 0.00 -0.50 0.00 0.00 54.79 51.35 1j5h n ASP 99 Cb 0.52 -0.15 0.03 0.00 -1.14 0.00 0.00 41.12 40.38 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 -2.00 2.52 0.20 2.12 0.00 -1.26 -2.49 120.51 119.60 1j5h n ALA 100 Ca -0.16 -0.14 0.02 0.00 0.00 0.00 0.00 53.44 53.16 1j5h n ALA 100 Cb 0.61 -1.00 -0.03 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 -0.21 2.59 -2.71 0.00 0.00 -1.26 -5.02 120.51 113.90 1j5h n ALA 101 Ca 0.03 -0.14 -0.08 0.00 0.00 0.00 0.00 53.44 53.25 1j5h n ALA 101 Cb 0.12 -0.18 0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 1.29 0.21 0.59 0.00 0.00 -1.04 -5.02 105.19 101.22 1j5h n GLY 102 Ca 0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 45.72 1j5h n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1j5h n ASN 103 N -1.27 -1.57 -4.75 1.61 4.13 -1.26 -4.86 115.26 107.29 1j5h n ASN 103 Ca -0.07 -0.10 -0.37 0.00 1.68 0.00 0.00 54.58 55.72 1j5h n ASN 103 Cb 0.55 -0.16 0.04 0.00 -1.54 0.00 0.00 39.78 38.67 1j5h n ASN 103 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1j5h s GLY 104 N -1.35 2.84 0.00 7.41 0.00 -1.26 -4.93 107.32 110.02 1j5h s GLY 104 Ca 0.08 1.18 0.00 0.00 0.00 0.00 0.00 44.72 45.98 1j5h s GLY 104 CO 0.06 1.65 0.00 -1.55 0.00 0.00 0.00 173.10 173.26 1j5h n PRO 105 N -1.23 0.89 -0.51 2.90 -0.04 -1.26 -4.92 135.00 130.82 1j5h n PRO 105 Ca 0.12 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.65 1j5h n PRO 105 Cb 0.47 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.91 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 -0.09 -1.02 0.00 0.54 1.02 -1.26 -4.98 120.64 114.85 1j5h n GLU 106 Ca 0.00 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 1j5h n GLU 106 Cb 0.00 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1j5h n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j5h n GLY 107 N -1.49 -0.66 3.17 0.62 0.00 -1.26 -4.01 105.19 101.55 1j5h n GLY 107 Ca 0.00 0.19 0.04 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.00 -0.40 1.61 0.11 -1.25 -1.28 120.40 119.19 1j5h s VAL 108 Ca 0.00 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.82 1j5h s VAL 108 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1j5h s VAL 108 CO 0.00 0.00 0.77 0.00 -3.33 0.00 0.00 175.10 172.54 1j5h s ALA 109 N 1.97 3.38 0.16 1.54 0.00 -1.26 -1.54 121.76 126.00 1j5h s ALA 109 Ca 0.01 -0.81 0.09 0.00 0.00 0.00 0.00 51.96 51.24 1j5h s ALA 109 Cb -0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1j5h s ALA 109 CO -0.16 -1.64 -0.10 0.42 0.00 0.00 0.00 175.76 174.28 1j5h s ILE 110 N 3.14 3.22 -0.25 0.00 1.01 -0.54 -4.96 121.20 122.81 1j5h s ILE 110 Ca 0.30 -1.58 -0.12 0.00 0.00 0.00 0.00 60.65 59.25 1j5h s ILE 110 Cb -0.13 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 1j5h s ILE 110 CO 0.19 -0.06 0.24 -0.44 0.00 0.00 0.00 174.94 174.86 1j5h s SER 111 N -2.70 6.17 -0.15 3.58 0.01 -0.85 -3.89 113.70 115.87 1j5h s SER 111 Ca 0.24 0.18 -0.19 0.00 1.31 0.00 0.00 55.95 57.48 1j5h s SER 111 Cb -0.09 -2.14 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 1j5h s SER 111 CO 0.15 -0.02 0.55 -0.36 0.41 0.00 0.00 173.24 173.97 1j5h s PHE 112 N 1.39 3.45 0.00 2.43 0.40 -1.26 0.26 117.98 124.64 1j5h s PHE 112 Ca 0.10 0.90 0.00 0.00 -0.60 0.00 0.00 56.93 57.34 1j5h s PHE 112 Cb -0.15 -2.67 0.00 0.00 0.51 0.00 0.00 43.02 40.72 1j5h s PHE 112 CO 0.07 0.00 0.00 0.09 0.70 0.00 0.00 175.22 176.09