#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 1.24 -2.33 0.00 0.00 -1.26 -5.06 120.51 113.11 1j5h n ALA 2 Ca 0.00 -1.57 -0.35 0.00 0.00 0.00 0.00 53.44 51.52 1j5h n ALA 2 Cb 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.23 3.23 -0.22 0.00 0.04 -1.25 -4.54 135.00 132.03 1j5h s PRO 3 Ca 0.23 -1.48 -0.27 0.00 0.04 0.00 0.00 61.00 59.52 1j5h s PRO 3 Cb 0.39 -5.37 0.10 0.00 0.04 0.00 0.00 34.50 29.66 1j5h s PRO 3 CO -0.07 -3.07 0.86 0.95 0.04 0.00 0.00 177.00 175.71 1j5h s THR 4 N 7.57 0.00 0.05 1.26 -4.23 0.24 -4.63 115.64 115.91 1j5h s THR 4 Ca 0.61 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.14 1j5h s THR 4 Cb 0.01 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.81 1j5h s THR 4 CO 0.09 0.00 0.07 0.00 -0.54 0.00 0.00 174.62 174.24 1j5h s ALA 5 N -0.14 3.55 0.08 3.99 0.00 -1.26 0.61 121.76 128.58 1j5h s ALA 5 Ca -0.01 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 50.99 1j5h s ALA 5 Cb -0.04 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 1j5h s ALA 5 CO 0.00 0.73 -0.07 0.95 0.00 0.00 0.00 175.76 177.37 1j5h s THR 6 N -1.32 0.62 0.05 0.00 -4.23 -0.64 -4.23 115.64 105.90 1j5h s THR 6 Ca 0.27 -1.63 0.07 0.00 -1.18 0.00 0.00 61.69 59.21 1j5h s THR 6 Cb -0.12 -1.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.38 1j5h s THR 6 CO 0.19 -0.71 -0.15 0.54 -0.54 0.00 0.00 174.62 173.95 1j5h s VAL 7 N -2.86 3.05 0.20 2.29 0.11 -1.26 -1.40 120.40 120.53 1j5h s VAL 7 Ca 0.04 -1.16 -0.21 0.00 -2.93 0.00 0.00 61.98 57.72 1j5h s VAL 7 Cb 0.00 -2.33 0.15 0.00 -1.53 0.00 0.00 36.38 32.67 1j5h s VAL 7 CO -0.03 0.28 1.56 0.74 -3.33 0.00 0.00 175.10 174.32 1j5h h THR 8 N 3.75 0.06 -0.72 5.04 2.02 -1.70 -3.41 112.91 117.96 1j5h h THR 8 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1j5h h THR 8 Cb 1.16 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1j5h h THR 8 CO 0.49 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.57 1j5h n PRO 9 N -5.44 1.07 0.00 6.66 -0.04 -1.26 -5.03 135.00 130.97 1j5h n PRO 9 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1j5h n PRO 9 Cb 0.37 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 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 0.00 -3.78 3.54 3.41 -1.26 -5.07 113.62 110.46 1j5h n SER 10 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 1j5h n SER 10 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 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 -0.13 -0.20 -1.61 4.04 1.04 -1.26 0.12 113.70 115.71 1j5h s SER 11 Ca 0.00 -0.45 -0.00 0.00 0.48 0.00 0.00 55.95 55.98 1j5h s SER 11 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1j5h s SER 11 CO 0.00 -1.01 0.03 0.61 0.98 0.00 0.00 173.24 173.84 1j5h n GLY 12 N -0.47 -0.41 0.00 7.32 0.00 0.53 -4.83 105.19 107.33 1j5h n GLY 12 Ca -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.77 0.00 -3.62 0.99 4.77 -0.84 -4.47 117.00 111.05 1j5h n LEU 13 Ca -0.22 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.65 1j5h n LEU 13 Cb 0.67 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.71 1j5h n LEU 13 CO 0.27 0.00 0.18 -0.55 -1.33 0.00 0.00 177.39 175.96 1j5h s SER 14 N -1.00 -0.29 -0.55 -1.43 0.15 -1.26 -0.25 113.70 109.06 1j5h s SER 14 Ca 0.00 -0.16 -0.27 0.00 0.70 0.00 0.00 55.95 56.22 1j5h s SER 14 Cb 0.00 0.47 -0.09 0.00 -1.71 0.00 0.00 66.02 64.69 1j5h s SER 14 CO 0.00 -0.79 2.45 -0.90 1.20 0.00 0.00 173.24 175.20 1j5h n ASP 15 N 0.03 2.05 -0.14 5.45 5.75 -1.26 -0.12 116.55 128.32 1j5h n ASP 15 Ca -0.17 -0.39 0.00 0.00 -0.01 0.00 0.00 54.79 54.22 1j5h n ASP 15 Cb 0.62 -1.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.22 1j5h n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j5h n GLY 16 N 6.08 1.10 3.57 6.12 0.00 -0.77 -4.66 105.19 116.64 1j5h n GLY 16 Ca 0.41 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1j5h n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5h s THR 17 N -2.27 3.50 -0.64 2.61 2.01 0.83 -4.52 115.64 117.15 1j5h s THR 17 Ca 0.00 -0.67 -0.26 0.00 0.31 0.00 0.00 61.69 61.07 1j5h s THR 17 Cb 0.00 -4.31 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 1j5h s THR 17 CO 0.00 -0.96 1.85 -0.69 -0.69 0.00 0.00 174.62 174.13 1j5h s VAL 18 N 10.67 3.37 0.48 3.82 1.01 -1.26 -1.82 120.40 136.67 1j5h s VAL 18 Ca 0.69 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.85 1j5h s VAL 18 Cb -0.03 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 1j5h s VAL 18 CO 0.07 -0.94 0.07 0.68 0.00 0.00 0.00 175.10 174.98 1j5h s VAL 19 N 9.08 0.83 0.52 2.92 -7.23 -0.51 -4.91 120.40 121.10 1j5h s VAL 19 Ca 0.67 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.64 1j5h s VAL 19 Cb -0.12 -2.18 -0.07 0.00 0.56 0.00 0.00 36.38 34.58 1j5h s VAL 19 CO 0.19 0.00 1.08 -0.54 -0.31 0.00 0.00 175.10 175.52 1j5h s LYS 20 N -3.79 3.56 0.02 4.82 1.02 -1.26 -0.28 119.74 123.84 1j5h s LYS 20 Ca 0.12 1.46 -0.00 0.00 0.02 0.00 0.00 55.97 57.57 1j5h s LYS 20 Cb 0.01 -2.05 -0.02 0.00 -0.52 0.00 0.00 37.83 35.25 1j5h s LYS 20 CO 0.08 -0.65 -0.03 0.54 -0.92 0.00 0.00 175.35 174.37 1j5h s VAL 21 N -1.92 0.12 -0.10 3.17 0.11 0.18 -1.74 120.40 120.22 1j5h s VAL 21 Ca 0.69 -1.03 -0.17 0.00 -2.93 0.00 0.00 61.98 58.55 1j5h s VAL 21 Cb -0.20 -0.43 0.04 0.00 -1.53 0.00 0.00 36.38 34.27 1j5h s VAL 21 CO 0.24 -0.57 0.42 0.00 -3.33 0.00 0.00 175.10 171.87 1j5h s ALA 22 N -1.78 -1.06 0.00 1.54 0.00 -0.49 -1.00 121.76 118.97 1j5h s ALA 22 Ca -0.13 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.78 1j5h s ALA 22 Cb -0.08 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1j5h s ALA 22 CO -0.02 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1j5h n GLY 23 N 2.13 0.64 0.00 0.00 0.00 0.83 -1.62 105.19 107.18 1j5h n GLY 23 Ca -0.17 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.73 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 0.90 0.00 0.44 4.61 0.00 0.20 -1.44 120.51 125.21 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 0.20 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.22 3.66 0.00 0.00 -1.26 0.81 105.19 108.18 1j5h n GLY 25 Ca 0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.98 -2.91 0.00 0.99 7.94 -0.98 -4.56 117.00 116.50 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 0.02 -2.30 0.00 0.00 0.53 0.00 0.00 43.42 41.67 1j5h n LEU 26 CO 0.04 0.30 0.00 1.67 -1.11 0.00 0.00 177.39 178.29 1j5h n GLN 27 N -3.71 0.00 0.00 1.96 -0.06 0.29 -4.51 117.38 111.35 1j5h n GLN 27 Ca -0.12 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.88 1j5h n GLN 27 Cb 0.59 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.77 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 -3.36 1.69 0.00 -1.26 -3.71 120.51 110.87 1j5h n ALA 28 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 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 -0.47 3.84 0.00 0.00 -1.24 -4.88 105.19 102.44 1j5h n GLY 29 Ca 0.00 0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.81 3.25 0.45 2.61 2.01 -1.26 -4.67 115.64 115.22 1j5h s THR 30 Ca 0.38 -1.40 -0.23 0.00 0.31 0.00 0.00 61.69 60.75 1j5h s THR 30 Cb -0.21 -3.12 -0.08 0.00 0.01 0.00 0.00 72.50 69.11 1j5h s THR 30 CO 0.47 -0.13 1.15 0.00 -0.69 0.00 0.00 174.62 175.42 1j5h s ALA 31 N -2.36 2.98 -0.42 7.40 0.00 -1.26 -0.72 121.76 127.38 1j5h s ALA 31 Ca 0.42 0.89 0.05 0.00 0.00 0.00 0.00 51.96 53.32 1j5h s ALA 31 Cb -0.05 -3.36 0.18 0.00 0.00 0.00 0.00 23.12 19.89 1j5h s ALA 31 CO 0.26 -0.59 0.40 0.66 0.00 0.00 0.00 175.76 176.50 1j5h n TYR 32 N -0.44 -1.19 -1.68 0.00 4.01 0.20 -4.73 117.16 113.32 1j5h n TYR 32 Ca 0.07 -3.13 -0.49 0.00 -0.16 0.00 0.00 57.90 54.20 1j5h n TYR 32 Cb 0.48 0.34 -0.05 0.00 -0.31 0.00 0.00 39.34 39.80 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 2.70 3.29 -4.67 7.72 2.03 -0.18 -1.82 116.55 125.62 1j5h n ASP 33 Ca 0.28 1.00 -0.31 0.00 0.52 0.00 0.00 54.79 56.27 1j5h n ASP 33 Cb 0.49 -1.36 0.16 0.00 -0.72 0.00 0.00 41.12 39.70 1j5h n ASP 33 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1j5h n VAL 34 N 4.85 0.32 -3.73 5.18 0.31 0.30 0.12 118.33 125.68 1j5h n VAL 34 Ca 0.22 -0.04 -0.13 0.00 -0.01 0.00 0.00 64.34 64.39 1j5h n VAL 34 Cb 0.28 -1.02 -0.10 0.00 -0.91 0.00 0.00 33.84 32.09 1j5h n VAL 34 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1j5h s GLY 35 N -2.54 -0.31 -0.14 2.92 0.00 0.12 -4.46 107.32 102.90 1j5h s GLY 35 Ca 0.68 1.23 -0.00 0.00 0.00 0.00 0.00 44.72 46.62 1j5h s GLY 35 CO 0.57 1.12 -0.07 1.20 0.00 0.00 0.00 173.10 175.92 1j5h s GLN 36 N 0.40 1.58 0.35 2.90 -0.21 -1.26 -0.39 119.66 123.04 1j5h s GLN 36 Ca -0.01 -0.42 0.04 0.00 0.02 0.00 0.00 55.36 54.98 1j5h s GLN 36 Cb -0.04 -1.85 -0.05 0.00 1.00 0.00 0.00 33.01 32.07 1j5h s GLN 36 CO -0.01 -0.34 0.08 0.00 -2.12 0.00 0.00 175.29 172.89 1j5h s ALA 38 N -3.27 -0.50 -0.06 0.00 0.00 0.16 0.61 121.76 118.70 1j5h s ALA 38 Ca 0.32 0.47 -0.17 0.00 0.00 0.00 0.00 51.96 52.58 1j5h s ALA 38 Cb 0.07 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 1j5h s ALA 38 CO 0.15 -0.12 0.47 -0.46 0.00 0.00 0.00 175.76 175.79 1j5h s TRP 39 N -0.17 3.61 0.00 0.00 -0.11 -1.26 -0.84 118.94 120.18 1j5h s TRP 39 Ca -0.03 0.96 0.00 0.00 1.22 0.00 0.00 56.10 58.26 1j5h s TRP 39 Cb -0.03 -2.47 0.00 0.00 -1.50 0.00 0.00 33.47 29.48 1j5h s TRP 39 CO 0.01 0.36 0.00 0.28 -4.62 0.00 0.00 176.95 172.97 1j5h n VAL 40 N 2.90 0.00 -3.74 5.86 0.31 0.13 -4.81 118.33 118.99 1j5h n VAL 40 Ca -0.09 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.11 1j5h n VAL 40 Cb 0.52 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.34 1j5h n VAL 40 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1j5h s ASP 41 N -1.00 -0.40 -0.21 4.52 3.68 -1.23 -4.91 116.67 117.12 1j5h s ASP 41 Ca 0.00 0.76 -0.05 0.00 2.13 0.00 0.00 52.55 55.39 1j5h s ASP 41 Cb 0.00 0.74 0.01 0.00 -1.45 0.00 0.00 42.92 42.22 1j5h s ASP 41 CO 0.00 -0.14 0.18 0.41 0.13 0.00 0.00 175.17 175.75 1j5h n THR 42 N 3.16 -7.45 -3.04 1.71 -1.04 -1.26 -3.64 114.28 102.73 1j5h n THR 42 Ca -0.15 0.77 -0.21 0.00 -2.04 0.00 0.00 64.05 62.42 1j5h n THR 42 Cb 0.57 -5.79 -0.04 0.00 -1.82 0.00 0.00 70.33 63.25 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 -0.01 -0.27 3.24 3.41 0.00 -1.26 -4.83 105.19 105.47 1j5h n GLY 43 Ca 0.04 0.03 -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 0.14 0.00 0.00 0.00 173.32 173.46 1j5h s VAL 44 N -2.15 2.81 -0.06 1.61 1.01 -1.24 -5.08 120.40 117.30 1j5h s VAL 44 Ca 0.41 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1j5h s VAL 44 Cb -0.24 -2.24 0.04 0.00 0.00 0.00 0.00 36.38 33.94 1j5h s VAL 44 CO 0.50 0.48 0.10 -0.22 0.00 0.00 0.00 175.10 175.96 1j5h s LEU 45 N 1.29 0.07 -0.18 3.92 0.20 -1.26 0.18 118.68 122.90 1j5h s LEU 45 Ca 0.04 0.19 -0.07 0.00 0.69 0.00 0.00 54.13 54.97 1j5h s LEU 45 Cb -0.14 0.04 -0.04 0.00 -0.43 0.00 0.00 46.19 45.62 1j5h s LEU 45 CO -0.06 -0.24 0.06 0.00 -0.29 0.00 0.00 176.35 175.81 1j5h s ALA 46 N 2.19 3.39 0.31 5.97 0.00 -0.02 -4.68 121.76 128.92 1j5h s ALA 46 Ca 0.04 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.27 1j5h s ALA 46 Cb -0.12 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.06 1j5h s ALA 46 CO -0.04 0.16 0.46 0.00 0.00 0.00 0.00 175.76 176.34 1j5h s ASN 48 N -4.05 5.01 0.00 0.00 3.84 0.53 -0.12 114.94 120.15 1j5h s ASN 48 Ca 0.39 -2.97 0.00 0.00 0.21 0.00 0.00 52.86 50.49 1j5h s ASN 48 Cb -0.09 -1.80 0.00 0.00 -0.55 0.00 0.00 41.25 38.81 1j5h s ASN 48 CO 0.32 -0.32 1.42 -0.81 -2.79 0.00 0.00 177.10 174.93 1j5h n PRO 49 N 3.29 0.75 0.00 0.43 -0.04 -1.26 -2.34 135.00 135.82 1j5h n PRO 49 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 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 1.52 1.31 -0.08 0.55 0.00 -1.26 -4.81 120.51 117.75 1j5h n ALA 50 Ca 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 53.44 53.00 1j5h n ALA 50 Cb 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.87 0.00 0.00 2.03 -1.77 -3.43 116.42 112.38 1j5h h ASP 51 Ca 0.00 0.16 0.00 0.00 -0.73 0.00 0.00 57.03 56.46 1j5h h ASP 51 Cb 0.37 0.41 0.00 0.00 -0.83 0.00 0.00 39.33 39.28 1j5h h ASP 51 CO 0.00 -0.29 0.00 0.49 -1.03 0.00 0.00 179.24 178.41 1j5h n PHE 52 N -5.39 0.00 -0.81 4.15 3.72 -1.26 -4.89 117.46 112.98 1j5h n PHE 52 Ca 0.00 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.15 1j5h n PHE 52 Cb 0.31 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 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 1.31 -2.11 -3.74 4.37 7.64 -1.26 -4.53 113.62 115.31 1j5h n SER 53 Ca 0.00 0.46 -0.13 0.00 1.01 0.00 0.00 58.87 60.21 1j5h n SER 53 Cb 0.00 -0.55 -0.10 0.00 -1.01 0.00 0.00 64.21 62.55 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 -0.64 -0.37 0.21 6.43 1.04 -1.26 0.11 113.70 119.22 1j5h s SER 54 Ca 0.37 0.64 0.01 0.00 0.48 0.00 0.00 55.95 57.44 1j5h s SER 54 Cb -0.36 0.69 -0.05 0.00 0.10 0.00 0.00 66.02 66.41 1j5h s SER 54 CO 0.41 -0.22 0.06 0.54 0.98 0.00 0.00 173.24 175.01 1j5h s VAL 55 N -0.18 0.48 0.20 5.02 0.11 -0.76 -4.85 120.40 120.43 1j5h s VAL 55 Ca -0.03 -1.98 0.08 0.00 -2.93 0.00 0.00 61.98 57.12 1j5h s VAL 55 Cb -0.03 -2.36 -0.04 0.00 -1.53 0.00 0.00 36.38 32.41 1j5h s VAL 55 CO 0.02 -0.23 -0.02 -0.89 -3.33 0.00 0.00 175.10 170.65 1j5h s THR 56 N -3.80 3.56 0.70 5.04 2.01 -1.26 0.59 115.64 122.48 1j5h s THR 56 Ca 0.31 -1.59 -0.06 0.00 0.31 0.00 0.00 61.69 60.67 1j5h s THR 56 Cb 0.07 -2.82 0.07 0.00 0.01 0.00 0.00 72.50 69.83 1j5h s THR 56 CO 0.09 -0.18 1.00 0.00 -0.69 0.00 0.00 174.62 174.83 1j5h s ALA 57 N -1.88 3.26 -0.10 7.40 0.00 0.10 -3.35 121.76 127.19 1j5h s ALA 57 Ca 0.28 -1.07 -0.00 0.00 0.00 0.00 0.00 51.96 51.17 1j5h s ALA 57 Cb -0.08 -2.48 0.02 0.00 0.00 0.00 0.00 23.12 20.58 1j5h s ALA 57 CO 0.18 -1.30 -0.08 0.16 0.00 0.00 0.00 175.76 174.72 1j5h s ASP 58 N -4.54 2.09 0.00 0.00 1.47 0.15 -3.72 116.67 112.11 1j5h s ASP 58 Ca 0.61 -0.29 0.00 0.00 1.18 0.00 0.00 52.55 54.05 1j5h s ASP 58 Cb -0.10 -0.82 0.00 0.00 -0.34 0.00 0.00 42.92 41.66 1j5h s ASP 58 CO 0.44 -0.10 0.00 0.00 0.68 0.00 0.00 175.17 176.19 1j5h n ALA 59 N 4.78 0.00 -0.26 2.11 0.00 -1.26 0.19 120.51 126.06 1j5h n ALA 59 Ca -0.14 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.39 1j5h n ALA 59 Cb 0.50 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.14 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 0.34 -0.14 0.00 0.00 4.13 -1.26 -4.00 115.26 114.33 1j5h n ASN 60 Ca 0.00 1.26 0.00 0.00 1.68 0.00 0.00 54.58 57.52 1j5h n ASN 60 Cb 0.00 -0.44 0.00 0.00 -1.54 0.00 0.00 39.78 37.80 1j5h n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1j5h n GLY 61 N -1.40 0.46 3.81 7.41 0.00 0.49 -4.21 105.19 111.75 1j5h n GLY 61 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.40 7.12 0.65 1.61 0.01 -1.21 0.11 113.70 121.59 1j5h s SER 62 Ca 0.00 1.43 -0.12 0.00 1.31 0.00 0.00 55.95 58.57 1j5h s SER 62 Cb 0.00 -2.42 -0.01 0.00 0.21 0.00 0.00 66.02 63.79 1j5h s SER 62 CO 0.00 0.11 1.05 0.00 0.41 0.00 0.00 173.24 174.81 1j5h s ALA 63 N -1.38 2.79 -0.30 1.44 0.00 -0.52 0.34 121.76 124.13 1j5h s ALA 63 Ca 0.39 0.12 -0.02 0.00 0.00 0.00 0.00 51.96 52.45 1j5h s ALA 63 Cb -0.18 -3.16 0.19 0.00 0.00 0.00 0.00 23.12 19.96 1j5h s ALA 63 CO 0.22 -0.99 0.64 -1.54 0.00 0.00 0.00 175.76 174.09 1j5h s SER 64 N -3.63 -1.31 0.00 0.00 1.04 -1.21 -0.12 113.70 108.47 1j5h s SER 64 Ca 0.59 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.85 1j5h s SER 64 Cb -0.14 2.10 0.00 0.00 0.10 0.00 0.00 66.02 68.09 1j5h s SER 64 CO 0.50 -0.25 0.00 1.07 0.98 0.00 0.00 173.24 175.54 1j5h n THR 65 N 5.43 0.00 -3.74 2.02 5.66 -0.17 -4.83 114.28 118.65 1j5h n THR 65 Ca -0.02 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.82 1j5h n THR 65 Cb 0.51 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.13 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 -4.00 0.36 0.14 1.09 1.04 -1.26 0.47 113.70 111.54 1j5h s SER 66 Ca 0.00 0.10 0.07 0.00 0.48 0.00 0.00 55.95 56.60 1j5h s SER 66 Cb 0.00 -0.03 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 1j5h s SER 66 CO 0.00 -0.17 -0.05 -0.76 0.98 0.00 0.00 173.24 173.24 1j5h s LEU 67 N 1.44 3.17 -0.75 2.42 1.43 0.62 -4.88 118.68 122.13 1j5h s LEU 67 Ca -0.05 -0.41 -0.19 0.00 -1.03 0.00 0.00 54.13 52.45 1j5h s LEU 67 Cb -0.13 -1.89 0.11 0.00 0.03 0.00 0.00 46.19 44.32 1j5h s LEU 67 CO -0.04 0.13 0.93 0.28 0.23 0.00 0.00 176.35 177.88 1j5h s THR 68 N -1.52 4.71 -0.48 5.49 -1.32 -1.26 -1.42 115.64 119.84 1j5h s THR 68 Ca 0.25 -1.14 -0.15 0.00 -1.21 0.00 0.00 61.69 59.44 1j5h s THR 68 Cb -0.10 -4.64 -0.14 0.00 -1.51 0.00 0.00 72.50 66.11 1j5h s THR 68 CO 0.16 -1.35 1.71 0.52 -2.21 0.00 0.00 174.62 173.45 1j5h n VAL 69 N 5.51 1.22 -1.79 5.08 0.31 -0.75 -4.72 118.33 123.19 1j5h n VAL 69 Ca 0.06 -0.88 -0.42 0.00 -0.01 0.00 0.00 64.34 63.09 1j5h n VAL 69 Cb 0.46 -2.02 -0.03 0.00 -0.91 0.00 0.00 33.84 31.34 1j5h n VAL 69 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1j5h s ARG 70 N 4.97 4.14 0.00 5.55 0.52 -1.26 -1.84 118.95 131.03 1j5h s ARG 70 Ca 0.42 2.55 0.00 0.00 -0.52 0.00 0.00 55.73 58.18 1j5h s ARG 70 Cb 0.10 -3.08 0.00 0.00 0.52 0.00 0.00 34.95 32.50 1j5h s ARG 70 CO 0.10 -0.68 0.00 -2.13 0.02 0.00 0.00 175.30 172.60 1j5h n ARG 71 N 3.45 0.00 -1.96 3.54 0.63 -1.26 -4.64 116.66 116.42 1j5h n ARG 71 Ca 0.13 0.08 -0.42 0.00 -0.92 0.00 0.00 57.85 56.72 1j5h n ARG 71 Cb 0.36 -0.41 -0.03 0.00 0.45 0.00 0.00 32.46 32.84 1j5h n ARG 71 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1j5h s SER 72 N -1.79 6.63 0.13 6.15 1.04 -1.26 0.40 113.70 125.01 1j5h s SER 72 Ca 0.00 2.43 -0.12 0.00 0.48 0.00 0.00 55.95 58.73 1j5h s SER 72 Cb 0.00 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.57 1j5h s SER 72 CO 0.00 -0.87 0.32 -0.36 0.98 0.00 0.00 173.24 173.31 1j5h s PHE 73 N 2.75 0.04 -1.06 5.02 0.08 -0.59 -4.79 117.98 119.43 1j5h s PHE 73 Ca 0.73 -0.41 -0.03 0.00 0.12 0.00 0.00 56.93 57.34 1j5h s PHE 73 Cb -0.38 0.11 0.31 0.00 -0.57 0.00 0.00 43.02 42.48 1j5h s PHE 73 CO 0.32 -0.68 1.70 -0.85 -0.10 0.00 0.00 175.22 175.60 1j5h n GLU 74 N -0.18 4.99 -0.97 0.44 0.28 -1.26 0.11 120.64 124.05 1j5h n GLU 74 Ca -0.13 -4.57 -0.35 0.00 -0.16 0.00 0.00 57.16 51.95 1j5h n GLU 74 Cb 0.63 -2.50 0.04 0.00 1.43 0.00 0.00 31.44 31.04 1j5h n GLU 74 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1j5h n GLY 75 N 0.62 -4.47 2.88 -1.84 0.00 -1.26 -4.16 105.19 96.96 1j5h n GLY 75 Ca 0.38 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 1j5h n GLY 75 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1j5h s PHE 76 N -1.93 -0.02 0.10 1.61 5.36 0.84 0.63 117.98 124.56 1j5h s PHE 76 Ca 0.39 0.07 -0.20 0.00 -0.96 0.00 0.00 56.93 56.23 1j5h s PHE 76 Cb -0.18 -0.01 -0.04 0.00 -0.34 0.00 0.00 43.02 42.44 1j5h s PHE 76 CO 0.80 -0.02 1.25 1.28 -1.46 0.00 0.00 175.22 177.07 1j5h n LEU 77 N 3.16 -0.68 0.00 6.12 7.99 0.11 -0.37 117.00 133.33 1j5h n LEU 77 Ca -0.13 1.41 0.00 0.00 -0.01 0.00 0.00 56.01 57.27 1j5h n LEU 77 Cb 0.59 -0.28 0.00 0.00 -0.11 0.00 0.00 43.42 43.62 1j5h n LEU 77 CO 0.25 -1.06 0.00 0.49 -1.51 0.00 0.00 177.39 175.56 1j5h n PHE 78 N -4.48 0.00 0.00 -1.77 3.01 -1.26 -4.24 117.46 108.72 1j5h n PHE 78 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1j5h n PHE 78 Cb 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 1j5h n PHE 78 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1j5h n ASP 79 N 0.00 0.00 0.01 4.37 4.64 -1.26 -5.03 116.55 119.27 1j5h n ASP 79 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 1j5h n ASP 79 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 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 -0.62 3.78 0.27 0.00 -1.26 -5.16 105.19 102.20 1j5h n GLY 80 Ca 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.00 0.00 0.39 2.61 2.01 -1.26 -5.06 115.64 112.33 1j5h s THR 81 Ca 0.00 -0.76 -0.16 0.00 0.31 0.00 0.00 61.69 61.08 1j5h s THR 81 Cb 0.00 -1.98 -0.09 0.00 0.01 0.00 0.00 72.50 70.44 1j5h s THR 81 CO 0.00 0.00 0.83 -0.13 -0.69 0.00 0.00 174.62 174.63 1j5h s ARG 82 N -3.48 4.02 -0.12 4.92 3.00 -1.26 0.09 118.95 126.12 1j5h s ARG 82 Ca 0.12 0.80 0.03 0.00 0.00 0.00 0.00 55.73 56.67 1j5h s ARG 82 Cb -0.03 -2.32 -0.09 0.00 0.00 0.00 0.00 34.95 32.51 1j5h s ARG 82 CO 0.04 0.02 -0.07 1.87 0.00 0.00 0.00 175.30 177.15 1j5h n TRP 83 N -0.73 0.00 -3.00 -0.53 -0.00 0.72 -4.62 117.44 109.28 1j5h n TRP 83 Ca 0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.45 1j5h n TRP 83 Cb 0.54 -0.48 0.01 0.00 -0.00 0.00 0.00 31.31 31.38 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 2.79 -1.75 1.19 5.87 0.00 0.20 -4.82 105.19 108.67 1j5h n GLY 84 Ca -0.20 0.75 0.08 0.00 0.00 0.00 0.00 46.02 46.65 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 0.35 1.15 0.00 2.61 5.66 -1.09 -4.73 114.28 118.23 1j5h n THR 85 Ca 0.02 -0.84 0.00 0.00 -3.05 0.00 0.00 64.05 60.18 1j5h n THR 85 Cb 0.36 0.17 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 1j5h n THR 85 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1j5h n VAL 86 N 0.95 0.00 -1.33 1.08 3.14 0.31 -3.53 118.33 118.95 1j5h n VAL 86 Ca 0.19 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.33 1j5h n VAL 86 Cb 0.62 0.00 -0.18 0.00 -1.06 0.00 0.00 33.84 33.22 1j5h n VAL 86 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1j5h n ASP 87 N -0.63 -0.81 -0.49 6.55 8.00 -1.26 -1.54 116.55 126.37 1j5h n ASP 87 Ca 0.00 -0.28 0.41 0.00 0.71 0.00 0.00 54.79 55.63 1j5h n ASP 87 Cb 0.00 -0.58 0.71 0.00 -0.02 0.00 0.00 41.12 41.23 1j5h n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j5h h THR 89 N 0.07 0.21 0.00 0.00 1.03 -1.81 2.92 112.91 115.32 1j5h h THR 89 Ca 0.79 0.00 -0.09 0.00 -0.01 0.00 0.00 66.41 67.11 1j5h h THR 89 Cb 2.80 0.49 -0.01 0.00 -1.07 0.00 0.00 68.15 70.36 1j5h h THR 89 CO -0.21 0.00 -0.42 0.74 -0.01 0.00 0.00 175.52 175.62 1j5h h THR 90 N 0.00 0.89 0.00 0.00 2.02 0.32 -3.21 112.91 112.94 1j5h h THR 90 Ca 0.20 -1.72 0.00 0.00 0.77 0.00 0.00 66.41 65.66 1j5h h THR 90 Cb 1.41 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 69.88 1j5h h THR 90 CO -0.00 0.41 -0.21 0.00 0.37 0.00 0.00 175.52 176.09 1j5h n ALA 91 N -2.28 2.08 -3.83 6.16 0.00 0.57 -5.00 120.51 118.21 1j5h n ALA 91 Ca 0.00 -1.77 -0.24 0.00 0.00 0.00 0.00 53.44 51.43 1j5h n ALA 91 Cb 0.57 -0.39 -0.05 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.73 -1.80 -0.67 0.00 0.00 0.84 -4.07 120.51 114.08 1j5h n ALA 92 Ca 0.08 -0.33 -0.06 0.00 0.00 0.00 0.00 53.44 53.13 1j5h n ALA 92 Cb 0.64 -0.81 0.11 0.00 0.00 0.00 0.00 19.45 19.39 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 -3.02 0.72 -0.32 0.00 0.00 0.20 -1.59 119.66 115.64 1j5h s GLN 94 Ca 0.24 -1.25 -0.01 0.00 -0.00 0.00 0.00 55.36 54.34 1j5h s GLN 94 Cb -0.04 -0.03 0.11 0.00 0.00 0.00 0.00 33.01 33.05 1j5h s GLN 94 CO 0.20 -0.05 0.12 0.54 0.00 0.00 0.00 175.29 176.10 1j5h s VAL 95 N -3.61 0.74 0.00 3.63 0.11 -0.66 -1.60 120.40 119.01 1j5h s VAL 95 Ca 0.08 -1.42 0.00 0.00 -2.93 0.00 0.00 61.98 57.71 1j5h s VAL 95 Cb 0.05 -1.56 0.00 0.00 -1.53 0.00 0.00 36.38 33.34 1j5h s VAL 95 CO -0.07 -0.72 0.00 0.61 -3.33 0.00 0.00 175.10 171.59 1j5h n GLY 96 N 4.75 5.03 3.88 6.54 0.00 0.48 -3.95 105.19 121.91 1j5h n GLY 96 Ca -0.01 -2.15 -0.21 0.00 0.00 0.00 0.00 46.02 43.65 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 3.90 -0.26 0.99 1.02 -1.26 0.15 118.68 123.22 1j5h s LEU 97 Ca 0.00 -0.22 -0.09 0.00 0.02 0.00 0.00 54.13 53.84 1j5h s LEU 97 Cb 0.00 -2.48 0.11 0.00 0.02 0.00 0.00 46.19 43.84 1j5h s LEU 97 CO 0.00 -0.16 0.56 -0.55 0.02 0.00 0.00 176.35 176.23 1j5h s SER 98 N -3.94 -0.81 0.57 2.29 0.15 0.33 -4.63 113.70 107.66 1j5h s SER 98 Ca 0.36 1.35 0.09 0.00 0.70 0.00 0.00 55.95 58.46 1j5h s SER 98 Cb -0.08 1.91 0.08 0.00 -1.71 0.00 0.00 66.02 66.22 1j5h s SER 98 CO 0.27 -0.22 0.77 1.51 1.20 0.00 0.00 173.24 176.76 1j5h s ASP 99 N 2.73 5.11 -0.82 5.45 1.47 -1.15 -1.01 116.67 128.45 1j5h s ASP 99 Ca -0.05 -0.84 -0.02 0.00 1.18 0.00 0.00 52.55 52.82 1j5h s ASP 99 Cb -0.12 0.25 0.35 0.00 -0.34 0.00 0.00 42.92 43.07 1j5h s ASP 99 CO -0.17 -1.30 2.05 0.00 0.68 0.00 0.00 175.17 176.43 1j5h n ALA 100 N -2.20 6.50 0.00 2.11 0.00 -1.26 -4.14 120.51 121.52 1j5h n ALA 100 Ca 0.15 -4.01 0.00 0.00 0.00 0.00 0.00 53.44 49.58 1j5h n ALA 100 Cb 0.62 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 -0.55 0.00 0.03 0.00 0.00 -1.26 -5.03 120.51 113.71 1j5h n ALA 101 Ca 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.97 1j5h n ALA 101 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.73 1j5h n ALA 101 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1j5h h GLY 102 N 0.00 -0.15 0.00 0.00 0.00 -1.97 -3.50 103.07 97.45 1j5h h GLY 102 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1j5h h GLY 102 CO 0.00 -0.05 0.00 -2.01 0.00 0.00 0.00 176.54 174.48 1j5h n ASN 103 N -3.73 0.00 0.00 0.19 5.15 -1.26 -4.95 115.26 110.66 1j5h n ASN 103 Ca -0.02 -0.26 0.00 0.00 -0.60 0.00 0.00 54.58 53.70 1j5h n ASN 103 Cb 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.31 1j5h n ASN 103 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1j5h n GLY 104 N 0.00 0.31 0.00 8.20 0.00 -1.26 -2.95 105.19 109.49 1j5h n GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.20 0.64 -1.02 1.61 -0.04 -1.26 -4.32 135.00 130.41 1j5h n PRO 105 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1j5h n PRO 105 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1j5h n PRO 105 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1j5h n GLU 106 N -0.30 0.00 -0.85 0.54 4.07 -1.26 -4.92 120.64 117.91 1j5h n GLU 106 Ca 0.00 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.94 1j5h n GLU 106 Cb 0.00 -1.43 0.13 0.00 -0.06 0.00 0.00 31.44 30.07 1j5h n GLU 106 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1j5h n GLY 107 N -0.68 -1.90 3.63 8.31 0.00 -1.26 -4.61 105.19 108.68 1j5h n GLY 107 Ca 0.00 -1.60 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.40 5.04 -0.36 1.61 0.11 -1.25 -4.79 120.40 118.36 1j5h s VAL 108 Ca 0.41 0.06 -0.28 0.00 -2.93 0.00 0.00 61.98 59.24 1j5h s VAL 108 Cb -0.02 -3.32 -0.01 0.00 -1.53 0.00 0.00 36.38 31.49 1j5h s VAL 108 CO 0.30 0.39 1.71 0.00 -3.33 0.00 0.00 175.10 174.17 1j5h s ALA 109 N 0.87 2.89 -0.09 1.54 0.00 -1.26 -1.65 121.76 124.06 1j5h s ALA 109 Ca 0.06 0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.14 1j5h s ALA 109 Cb -0.13 -4.01 -0.03 0.00 0.00 0.00 0.00 23.12 18.95 1j5h s ALA 109 CO 0.03 -2.61 -0.01 0.42 0.00 0.00 0.00 175.76 173.58 1j5h s ILE 110 N 6.62 4.19 -0.62 0.00 1.01 -0.62 -4.86 121.20 126.92 1j5h s ILE 110 Ca 0.75 -0.29 -0.16 0.00 0.00 0.00 0.00 60.65 60.95 1j5h s ILE 110 Cb -0.20 -2.75 0.15 0.00 0.01 0.00 0.00 42.46 39.66 1j5h s ILE 110 CO 0.33 0.60 0.58 -0.55 0.00 0.00 0.00 174.94 175.90 1j5h s SER 111 N -0.80 6.33 -0.01 3.58 0.15 0.12 -4.30 113.70 118.77 1j5h s SER 111 Ca 0.12 -1.99 -0.30 0.00 0.70 0.00 0.00 55.95 54.48 1j5h s SER 111 Cb -0.11 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 61.94 1j5h s SER 111 CO 0.02 -0.80 1.19 -0.36 1.20 0.00 0.00 173.24 174.49 1j5h s PHE 112 N 1.31 3.30 -2.00 3.44 0.40 -1.26 0.20 117.98 123.36 1j5h s PHE 112 Ca 0.07 1.26 0.10 0.00 -0.60 0.00 0.00 56.93 57.76 1j5h s PHE 112 Cb -0.25 -3.41 0.58 0.00 0.51 0.00 0.00 43.02 40.46 1j5h s PHE 112 CO 0.00 -1.25 1.03 -1.71 0.70 0.00 0.00 175.22 173.99