#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 -1.72 -1.59 0.00 0.00 -1.26 -5.03 120.51 110.92 1j5h n ALA 2 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1j5h n ALA 2 Cb 0.00 -0.32 0.04 0.00 0.00 0.00 0.00 19.45 19.17 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 -4.62 3.00 0.00 0.00 0.04 -1.26 -5.06 135.00 127.09 1j5h s PRO 3 Ca 0.00 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1j5h s PRO 3 Cb 0.00 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1j5h s PRO 3 CO 0.00 -1.05 0.00 0.25 0.04 0.00 0.00 177.00 176.24 1j5h n THR 4 N -2.99 0.00 -3.80 1.26 -2.24 0.26 -4.74 114.28 102.02 1j5h n THR 4 Ca 0.08 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.62 1j5h n THR 4 Cb 0.53 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.74 1j5h n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j5h s ALA 5 N -2.00 3.87 0.03 6.98 0.00 -1.26 0.98 121.76 130.37 1j5h s ALA 5 Ca 0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.89 1j5h s ALA 5 Cb 0.00 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 1j5h s ALA 5 CO 0.00 0.28 -0.02 0.95 0.00 0.00 0.00 175.76 176.96 1j5h s THR 6 N -1.98 0.16 -0.07 0.00 -4.23 0.17 -3.50 115.64 106.18 1j5h s THR 6 Ca 0.36 -1.30 0.04 0.00 -1.18 0.00 0.00 61.69 59.61 1j5h s THR 6 Cb -0.10 -0.83 -0.02 0.00 1.34 0.00 0.00 72.50 72.89 1j5h s THR 6 CO 0.30 -0.72 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.79 1j5h s VAL 7 N -2.57 2.66 0.13 2.29 1.01 -1.26 -0.78 120.40 121.88 1j5h s VAL 7 Ca -0.06 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 60.85 1j5h s VAL 7 Cb -0.02 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1j5h s VAL 7 CO -0.05 0.57 1.21 0.41 0.00 0.00 0.00 175.10 177.24 1j5h n THR 8 N 2.81 -0.52 -1.36 3.92 -1.04 -0.60 -4.44 114.28 113.06 1j5h n THR 8 Ca -0.17 1.89 -0.24 0.00 -2.04 0.00 0.00 64.05 63.49 1j5h n THR 8 Cb 0.52 -2.36 0.18 0.00 -1.82 0.00 0.00 70.33 66.86 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 -5.00 -1.86 0.00 -2.82 -0.04 -1.26 -5.02 135.00 118.99 1j5h n PRO 9 Ca 0.02 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 61.94 1j5h n PRO 9 Cb 0.22 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 -4.09 0.00 -3.70 3.54 3.41 -1.26 -5.01 113.62 106.51 1j5h n SER 10 Ca 0.13 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.76 1j5h n SER 10 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 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 -0.19 -0.03 -0.93 4.04 1.04 -1.25 -1.67 113.70 114.71 1j5h s SER 11 Ca 0.00 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1j5h s SER 11 Cb 0.00 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1j5h s SER 11 CO 0.00 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.55 1j5h n GLY 12 N -0.67 0.52 0.00 7.32 0.00 0.83 -4.84 105.19 108.36 1j5h n GLY 12 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1j5h n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j5h n LEU 13 N -1.26 0.00 -3.72 0.99 4.77 -1.04 -4.56 117.00 112.19 1j5h n LEU 13 Ca -0.11 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.74 1j5h n LEU 13 Cb 0.46 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 1j5h n LEU 13 CO 0.14 0.00 0.13 -0.55 -1.33 0.00 0.00 177.39 175.79 1j5h s SER 14 N -1.00 -0.46 -0.44 -1.43 0.15 -1.26 -2.79 113.70 106.47 1j5h s SER 14 Ca 0.00 0.86 -0.44 0.00 0.70 0.00 0.00 55.95 57.07 1j5h s SER 14 Cb 0.00 0.88 -0.18 0.00 -1.71 0.00 0.00 66.02 65.01 1j5h s SER 14 CO 0.00 -0.19 1.77 -0.67 1.20 0.00 0.00 173.24 175.36 1j5h n ASP 15 N 2.69 1.45 -0.06 5.45 -0.08 -1.26 0.55 116.55 125.29 1j5h n ASP 15 Ca -0.14 1.02 0.00 0.00 -1.51 0.00 0.00 54.79 54.16 1j5h n ASP 15 Cb 0.57 -0.97 0.00 0.00 2.34 0.00 0.00 41.12 43.06 1j5h n ASP 15 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1j5h n GLY 16 N 4.87 0.85 3.55 0.27 0.00 -1.26 -4.89 105.19 108.58 1j5h n GLY 16 Ca 0.35 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 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 3.68 -1.05 2.61 2.01 0.19 -4.81 115.64 116.16 1j5h s THR 17 Ca 0.00 -0.04 -0.18 0.00 0.31 0.00 0.00 61.69 61.78 1j5h s THR 17 Cb 0.00 -4.69 0.12 0.00 0.01 0.00 0.00 72.50 67.94 1j5h s THR 17 CO 0.00 -1.62 1.31 -0.69 -0.69 0.00 0.00 174.62 172.93 1j5h s VAL 18 N 6.56 4.63 0.30 3.82 1.01 -1.25 -2.08 120.40 133.39 1j5h s VAL 18 Ca 0.47 -1.76 0.08 0.00 0.00 0.00 0.00 61.98 60.77 1j5h s VAL 18 Cb -0.06 -4.90 -0.04 0.00 0.00 0.00 0.00 36.38 31.38 1j5h s VAL 18 CO 0.07 -1.65 0.11 0.68 0.00 0.00 0.00 175.10 174.31 1j5h s VAL 19 N 2.89 3.46 0.30 2.92 -7.23 -0.56 -4.70 120.40 117.48 1j5h s VAL 19 Ca 0.39 -1.70 -0.29 0.00 -1.81 0.00 0.00 61.98 58.58 1j5h s VAL 19 Cb -0.03 -3.02 -0.13 0.00 0.56 0.00 0.00 36.38 33.76 1j5h s VAL 19 CO -0.05 -0.28 1.24 0.29 -0.31 0.00 0.00 175.10 175.99 1j5h n LYS 20 N -1.08 1.87 -3.68 4.82 5.02 -1.26 -0.64 118.16 123.21 1j5h n LYS 20 Ca -0.05 0.66 -0.18 0.00 -2.02 0.00 0.00 58.31 56.72 1j5h n LYS 20 Cb 0.60 -2.20 -0.17 0.00 -0.02 0.00 0.00 35.03 33.24 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 -0.82 -0.17 0.12 -0.18 1.01 0.50 -1.56 120.40 119.31 1j5h s VAL 21 Ca 0.60 0.37 0.10 0.00 0.00 0.00 0.00 61.98 63.04 1j5h s VAL 21 Cb -0.63 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1j5h s VAL 21 CO 0.58 0.15 -0.24 0.00 0.00 0.00 0.00 175.10 175.59 1j5h s ALA 22 N 2.08 2.17 0.00 5.51 0.00 0.04 -0.31 121.76 131.24 1j5h s ALA 22 Ca 0.02 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1j5h s ALA 22 Cb -0.12 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.68 1j5h s ALA 22 CO -0.04 0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.59 1j5h n GLY 23 N 0.93 1.45 0.00 0.00 0.00 0.30 0.45 105.19 108.31 1j5h n GLY 23 Ca -0.18 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.72 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 0.41 0.00 0.47 4.61 0.00 0.27 -1.28 120.51 124.99 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 0.23 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.34 3.41 0.00 0.00 -1.26 0.90 105.19 107.90 1j5h n GLY 25 Ca 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.08 -4.51 0.00 0.99 7.94 -0.95 -4.82 117.00 114.57 1j5h n LEU 26 Ca 0.05 -0.57 0.00 0.00 -1.11 0.00 0.00 56.01 54.38 1j5h n LEU 26 Cb 0.04 -2.65 0.00 0.00 0.53 0.00 0.00 43.42 41.34 1j5h n LEU 26 CO 0.05 -0.27 0.00 0.00 -1.11 0.00 0.00 177.39 176.06 1j5h n GLN 27 N -2.65 0.00 0.00 1.96 1.13 0.20 -4.64 117.38 113.38 1j5h n GLN 27 Ca -0.11 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.95 1j5h n GLN 27 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.93 1j5h n GLN 27 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j5h n ALA 28 N -3.00 0.00 -4.20 -1.58 0.00 -1.26 -3.66 120.51 106.82 1j5h n ALA 28 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1j5h n ALA 28 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.36 3.72 0.00 0.00 -1.25 -4.88 105.19 102.43 1j5h n GLY 29 Ca 0.00 0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.99 3.94 0.51 2.61 -1.32 -1.26 -4.62 115.64 112.51 1j5h s THR 30 Ca 0.74 -1.51 -0.21 0.00 -1.21 0.00 0.00 61.69 59.50 1j5h s THR 30 Cb -0.43 -3.06 -0.08 0.00 -1.51 0.00 0.00 72.50 67.41 1j5h s THR 30 CO 0.91 -0.25 0.86 0.00 -2.21 0.00 0.00 174.62 173.93 1j5h n ALA 31 N -0.65 -0.20 -3.09 11.08 0.00 -1.26 -0.79 120.51 125.59 1j5h n ALA 31 Ca -0.08 0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 1j5h n ALA 31 Cb 0.57 -2.02 -0.04 0.00 0.00 0.00 0.00 19.45 17.96 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 -1.46 -0.50 0.16 0.00 2.02 0.14 -4.73 117.35 112.98 1j5h s TYR 32 Ca 0.68 -1.17 -0.32 0.00 -0.37 0.00 0.00 57.07 55.89 1j5h s TYR 32 Cb -0.49 -0.21 -0.12 0.00 -0.40 0.00 0.00 41.96 40.74 1j5h s TYR 32 CO 0.53 -1.07 1.76 -3.47 -1.57 0.00 0.00 175.55 171.73 1j5h n ASP 33 N 3.18 3.90 -4.64 2.29 -0.08 0.35 -1.67 116.55 119.89 1j5h n ASP 33 Ca 0.21 1.03 -0.32 0.00 -1.51 0.00 0.00 54.79 54.20 1j5h n ASP 33 Cb 0.52 -1.54 0.15 0.00 2.34 0.00 0.00 41.12 42.59 1j5h n ASP 33 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1j5h n VAL 34 N 4.23 0.43 -3.76 5.18 0.31 0.15 0.16 118.33 125.04 1j5h n VAL 34 Ca 0.17 -0.07 -0.13 0.00 -0.01 0.00 0.00 64.34 64.30 1j5h n VAL 34 Cb 0.35 -0.98 -0.09 0.00 -0.91 0.00 0.00 33.84 32.20 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 -2.44 -0.18 -0.06 2.92 0.00 0.27 -4.50 107.32 103.34 1j5h s GLY 35 Ca 0.67 0.52 -0.02 0.00 0.00 0.00 0.00 44.72 45.89 1j5h s GLY 35 CO 0.58 0.33 0.05 1.20 0.00 0.00 0.00 173.10 175.26 1j5h s GLN 36 N -0.88 0.09 0.36 2.90 -0.21 -1.26 -0.34 119.66 120.32 1j5h s GLN 36 Ca -0.10 0.28 0.03 0.00 0.02 0.00 0.00 55.36 55.60 1j5h s GLN 36 Cb -0.04 -0.71 -0.01 0.00 1.00 0.00 0.00 33.01 33.24 1j5h s GLN 36 CO 0.03 -0.35 0.11 0.00 -2.12 0.00 0.00 175.29 172.97 1j5h s ALA 38 N -2.93 -0.67 -0.15 0.00 0.00 0.25 0.53 121.76 118.78 1j5h s ALA 38 Ca 0.16 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 53.08 1j5h s ALA 38 Cb 0.01 -0.93 -0.05 0.00 0.00 0.00 0.00 23.12 22.15 1j5h s ALA 38 CO 0.11 -0.48 0.20 -0.46 0.00 0.00 0.00 175.76 175.13 1j5h s TRP 39 N 1.99 3.50 0.00 0.00 -0.11 -1.26 0.08 118.94 123.14 1j5h s TRP 39 Ca -0.03 0.51 0.00 0.00 1.22 0.00 0.00 56.10 57.80 1j5h s TRP 39 Cb -0.11 -2.17 0.00 0.00 -1.50 0.00 0.00 33.47 29.69 1j5h s TRP 39 CO -0.09 0.41 0.00 0.28 -4.62 0.00 0.00 176.95 172.93 1j5h n VAL 40 N 3.03 0.00 -0.43 5.86 0.31 0.38 -4.75 118.33 122.74 1j5h n VAL 40 Ca -0.16 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 63.87 1j5h n VAL 40 Cb 0.53 0.00 0.29 0.00 -0.91 0.00 0.00 33.84 33.75 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 -1.13 -0.86 4.52 2.15 -1.21 -4.76 116.67 116.38 1j5h s ASP 41 Ca 0.00 0.75 -0.25 0.00 0.43 0.00 0.00 52.55 53.48 1j5h s ASP 41 Cb 0.00 -1.02 -0.05 0.00 -0.30 0.00 0.00 42.92 41.54 1j5h s ASP 41 CO 0.00 -5.39 1.99 -0.89 -0.17 0.00 0.00 175.17 170.71 1j5h s THR 42 N -2.34 3.39 0.00 1.71 2.01 -1.26 -1.45 115.64 117.71 1j5h s THR 42 Ca 0.69 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.41 1j5h s THR 42 Cb -0.11 -3.89 0.00 0.00 0.01 0.00 0.00 72.50 68.50 1j5h s THR 42 CO 0.57 -0.84 0.00 0.61 -0.69 0.00 0.00 174.62 174.26 1j5h n GLY 43 N 6.74 0.36 2.92 4.40 0.00 -1.26 -5.00 105.19 113.35 1j5h n GLY 43 Ca 0.39 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.73 4.56 -4.00 1.61 0.31 -0.53 -4.58 118.33 113.98 1j5h n VAL 44 Ca 0.00 -4.74 -0.34 0.00 -0.01 0.00 0.00 64.34 59.25 1j5h n VAL 44 Cb 0.00 -2.30 -0.15 0.00 -0.91 0.00 0.00 33.84 30.48 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 -0.65 3.34 -0.08 7.52 0.20 -1.26 -0.47 118.68 127.28 1j5h s LEU 45 Ca 0.38 -1.11 -0.17 0.00 0.69 0.00 0.00 54.13 53.91 1j5h s LEU 45 Cb 0.08 -1.62 -0.05 0.00 -0.43 0.00 0.00 46.19 44.17 1j5h s LEU 45 CO 0.03 -0.17 0.47 0.00 -0.29 0.00 0.00 176.35 176.38 1j5h s ALA 46 N 1.23 3.54 0.20 5.97 0.00 0.11 -4.65 121.76 128.17 1j5h s ALA 46 Ca -0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 51.96 51.74 1j5h s ALA 46 Cb -0.18 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 1j5h s ALA 46 CO -0.05 0.14 0.39 0.00 0.00 0.00 0.00 175.76 176.25 1j5h s ASN 48 N -3.19 4.96 0.00 0.00 3.84 0.28 -0.91 114.94 119.92 1j5h s ASN 48 Ca 0.38 -2.96 -0.01 0.00 0.21 0.00 0.00 52.86 50.48 1j5h s ASN 48 Cb -0.11 -1.79 -0.04 0.00 -0.55 0.00 0.00 41.25 38.76 1j5h s ASN 48 CO 0.29 -0.31 1.79 -0.81 -2.79 0.00 0.00 177.10 175.27 1j5h n PRO 49 N 3.29 0.91 0.00 0.43 -0.04 -1.26 -2.44 135.00 135.89 1j5h n PRO 49 Ca 0.08 -0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1j5h n PRO 49 Cb 0.36 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 1.83 1.07 -0.35 0.55 0.00 -1.26 -4.83 120.51 117.51 1j5h n ALA 50 Ca 0.07 -0.32 0.04 0.00 0.00 0.00 0.00 53.44 53.23 1j5h n ALA 50 Cb 0.44 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.00 1j5h n ALA 50 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1j5h h ASP 51 N 0.00 -1.02 0.00 0.00 2.03 -1.77 -3.43 116.42 112.23 1j5h h ASP 51 Ca 0.00 0.29 0.00 0.00 -0.73 0.00 0.00 57.03 56.59 1j5h h ASP 51 Cb 0.44 0.63 0.00 0.00 -0.83 0.00 0.00 39.33 39.57 1j5h h ASP 51 CO 0.00 -0.31 0.00 0.33 -1.03 0.00 0.00 179.24 178.23 1j5h n PHE 52 N -5.58 0.00 -0.98 4.15 7.35 -1.26 -4.92 117.46 116.22 1j5h n PHE 52 Ca 0.14 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.52 1j5h n PHE 52 Cb 0.46 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.31 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 2.83 -3.39 -3.59 -2.13 7.64 -1.26 -4.63 113.62 109.09 1j5h n SER 53 Ca 0.00 0.46 -0.16 0.00 1.01 0.00 0.00 58.87 60.18 1j5h n SER 53 Cb 0.00 -0.68 -0.07 0.00 -1.01 0.00 0.00 64.21 62.45 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 -0.82 -0.69 0.00 6.43 1.04 -1.26 0.34 113.70 118.74 1j5h s SER 54 Ca 0.44 1.11 0.00 0.00 0.48 0.00 0.00 55.95 57.98 1j5h s SER 54 Cb -0.35 1.06 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1j5h s SER 54 CO 0.57 -0.39 0.00 0.55 0.98 0.00 0.00 173.24 174.95 1j5h n VAL 55 N 1.97 0.00 -4.21 5.02 3.14 -0.67 -4.82 118.33 118.76 1j5h n VAL 55 Ca -0.16 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.10 1j5h n VAL 55 Cb 0.56 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.24 1j5h n VAL 55 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1j5h s THR 56 N -1.08 0.02 0.72 1.55 2.01 -1.26 0.27 115.64 117.88 1j5h s THR 56 Ca 0.00 -2.00 -0.01 0.00 0.31 0.00 0.00 61.69 59.99 1j5h s THR 56 Cb 0.00 -2.51 0.13 0.00 0.01 0.00 0.00 72.50 70.13 1j5h s THR 56 CO 0.00 0.00 1.00 0.00 -0.69 0.00 0.00 174.62 174.93 1j5h s ALA 57 N -4.13 3.69 -0.11 7.40 0.00 0.03 -3.33 121.76 125.31 1j5h s ALA 57 Ca 0.39 -1.73 -0.01 0.00 0.00 0.00 0.00 51.96 50.62 1j5h s ALA 57 Cb 0.07 -2.01 0.03 0.00 0.00 0.00 0.00 23.12 21.20 1j5h s ALA 57 CO 0.12 -1.47 -0.05 0.16 0.00 0.00 0.00 175.76 174.52 1j5h s ASP 58 N -4.74 2.08 0.00 0.00 1.47 0.19 -3.76 116.67 111.92 1j5h s ASP 58 Ca 0.66 -0.28 0.00 0.00 1.18 0.00 0.00 52.55 54.12 1j5h s ASP 58 Cb -0.05 -0.74 0.00 0.00 -0.34 0.00 0.00 42.92 41.78 1j5h s ASP 58 CO 0.44 -0.14 0.00 0.00 0.68 0.00 0.00 175.17 176.15 1j5h n ALA 59 N 4.99 0.00 -0.26 2.11 0.00 -1.26 0.12 120.51 126.22 1j5h n ALA 59 Ca -0.11 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.43 1j5h n ALA 59 Cb 0.50 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.16 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 0.44 -0.11 0.00 0.00 3.02 -1.26 -3.88 115.26 113.46 1j5h n ASN 60 Ca 0.00 1.27 0.00 0.00 -0.03 0.00 0.00 54.58 55.82 1j5h n ASN 60 Cb 0.00 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 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 -1.39 0.65 3.80 7.41 0.00 0.33 -4.21 105.19 111.79 1j5h n GLY 61 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.84 7.11 0.94 1.61 0.01 -1.21 0.59 113.70 121.90 1j5h s SER 62 Ca 0.00 1.31 -0.12 0.00 1.31 0.00 0.00 55.95 58.46 1j5h s SER 62 Cb 0.00 -2.38 0.15 0.00 0.21 0.00 0.00 66.02 64.00 1j5h s SER 62 CO 0.00 0.26 1.09 0.00 0.41 0.00 0.00 173.24 175.00 1j5h s ALA 63 N -1.09 1.29 -0.30 1.44 0.00 -0.41 0.57 121.76 123.27 1j5h s ALA 63 Ca 0.30 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1j5h s ALA 63 Cb -0.20 -3.18 0.19 0.00 0.00 0.00 0.00 23.12 19.94 1j5h s ALA 63 CO 0.20 -2.56 0.75 -1.54 0.00 0.00 0.00 175.76 172.61 1j5h s SER 64 N -3.38 -1.20 -0.14 0.00 1.04 -1.21 -0.54 113.70 108.26 1j5h s SER 64 Ca 0.64 0.09 -0.34 0.00 0.48 0.00 0.00 55.95 56.82 1j5h s SER 64 Cb -0.18 1.74 0.14 0.00 0.10 0.00 0.00 66.02 67.82 1j5h s SER 64 CO 0.57 -0.21 1.33 0.28 0.98 0.00 0.00 173.24 176.19 1j5h s THR 65 N 2.80 0.00 -0.49 2.02 -1.32 0.57 -4.85 115.64 114.37 1j5h s THR 65 Ca 0.16 -0.07 -0.26 0.00 -1.21 0.00 0.00 61.69 60.31 1j5h s THR 65 Cb -0.07 -1.53 0.03 0.00 -1.51 0.00 0.00 72.50 69.43 1j5h s THR 65 CO -0.24 0.00 0.98 -0.44 -2.21 0.00 0.00 174.62 172.71 1j5h s SER 66 N -2.57 6.49 0.11 8.08 0.01 -1.26 0.19 113.70 124.75 1j5h s SER 66 Ca 0.13 0.09 0.04 0.00 1.31 0.00 0.00 55.95 57.51 1j5h s SER 66 Cb 0.03 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 1j5h s SER 66 CO -0.04 -1.14 0.12 -0.76 0.41 0.00 0.00 173.24 171.82 1j5h s LEU 67 N 3.97 3.86 -0.35 2.44 1.43 0.19 -4.69 118.68 125.53 1j5h s LEU 67 Ca 0.38 -0.03 -0.16 0.00 -1.03 0.00 0.00 54.13 53.29 1j5h s LEU 67 Cb -0.10 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.61 1j5h s LEU 67 CO 0.26 0.13 0.39 0.28 0.23 0.00 0.00 176.35 177.64 1j5h s THR 68 N -1.55 5.14 -1.10 5.49 -1.32 -1.26 -1.50 115.64 119.55 1j5h s THR 68 Ca 0.30 0.03 -0.06 0.00 -1.21 0.00 0.00 61.69 60.75 1j5h s THR 68 Cb -0.11 -3.87 0.02 0.00 -1.51 0.00 0.00 72.50 67.02 1j5h s THR 68 CO 0.23 -0.16 2.73 0.52 -2.21 0.00 0.00 174.62 175.73 1j5h n VAL 69 N 5.29 4.45 -1.55 5.08 0.31 -0.88 -4.83 118.33 126.20 1j5h n VAL 69 Ca -0.08 -3.37 -0.57 0.00 -0.01 0.00 0.00 64.34 60.31 1j5h n VAL 69 Cb 0.49 -2.11 -0.07 0.00 -0.91 0.00 0.00 33.84 31.24 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 2.10 0.47 0.00 5.55 1.74 -1.26 -4.41 116.66 120.84 1j5h n ARG 70 Ca 0.62 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.87 1j5h n ARG 70 Cb 0.37 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1j5h n ARG 70 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1j5h n ARG 71 N 2.11 0.00 -1.55 5.56 1.85 -1.26 -4.67 116.66 118.69 1j5h n ARG 71 Ca 0.20 0.21 -0.37 0.00 -1.00 0.00 0.00 57.85 56.90 1j5h n ARG 71 Cb 0.12 -0.73 -0.04 0.00 -1.05 0.00 0.00 32.46 30.76 1j5h n ARG 71 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1j5h n SER 72 N -1.14 2.23 -4.05 2.89 2.88 -1.26 -1.57 113.62 113.60 1j5h n SER 72 Ca 0.00 -0.43 -0.11 0.00 -1.33 0.00 0.00 58.87 57.00 1j5h n SER 72 Cb 0.00 -1.54 -0.11 0.00 -0.75 0.00 0.00 64.21 61.81 1j5h n SER 72 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1j5h s PHE 73 N 11.84 0.53 -0.72 0.66 0.40 0.35 -4.89 117.98 126.16 1j5h s PHE 73 Ca 1.01 -0.62 -0.22 0.00 -0.60 0.00 0.00 56.93 56.49 1j5h s PHE 73 Cb -0.26 -0.34 0.07 0.00 0.51 0.00 0.00 43.02 43.01 1j5h s PHE 73 CO 0.28 -0.16 1.03 -1.83 0.70 0.00 0.00 175.22 175.24 1j5h s GLU 74 N -2.06 3.20 -0.05 0.44 1.03 -1.26 -1.54 118.70 118.45 1j5h s GLU 74 Ca -0.08 -0.92 -0.30 0.00 0.03 0.00 0.00 54.97 53.71 1j5h s GLU 74 Cb -0.06 -4.36 -0.05 0.00 -0.80 0.00 0.00 34.13 28.86 1j5h s GLU 74 CO -0.02 -1.85 1.51 0.20 -1.33 0.00 0.00 175.26 173.76 1j5h s GLY 75 N 3.73 1.64 -0.24 -3.83 0.00 -1.26 -4.65 107.32 102.72 1j5h s GLY 75 Ca 0.25 0.84 -0.09 0.00 0.00 0.00 0.00 44.72 45.73 1j5h s GLY 75 CO 0.07 2.78 0.12 -1.36 0.00 0.00 0.00 173.10 174.71 1j5h s PHE 76 N 3.41 3.21 0.00 1.90 0.40 -0.08 -1.80 117.98 125.01 1j5h s PHE 76 Ca 0.67 -0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.97 1j5h s PHE 76 Cb -0.31 -2.24 0.00 0.00 0.51 0.00 0.00 43.02 40.98 1j5h s PHE 76 CO 0.26 -0.09 0.20 1.28 0.70 0.00 0.00 175.22 177.56 1j5h n LEU 77 N 4.48 0.00 0.00 -0.37 4.77 0.56 -0.78 117.00 125.66 1j5h n LEU 77 Ca -0.15 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1j5h n LEU 77 Cb 0.52 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1j5h n LEU 77 CO 0.33 -0.06 0.00 0.33 -1.33 0.00 0.00 177.39 176.66 1j5h n PHE 78 N -1.38 0.00 0.00 -1.77 7.35 -1.26 -3.53 117.46 116.87 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 0.00 -1.06 0.00 0.00 0.35 0.00 0.00 39.48 38.77 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 -0.26 0.00 0.00 -2.13 -0.08 -1.26 -4.98 116.55 107.83 1j5h n ASP 79 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1j5h n ASP 79 Cb 0.13 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.59 1j5h n ASP 79 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1j5h n GLY 80 N 0.00 -1.24 2.80 0.27 0.00 -1.23 -5.08 105.19 100.71 1j5h n GLY 80 Ca 0.00 0.38 -0.15 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.45 -0.70 2.61 2.01 -1.24 -4.33 115.64 113.54 1j5h s THR 81 Ca 0.00 -0.49 -0.20 0.00 0.31 0.00 0.00 61.69 61.30 1j5h s THR 81 Cb 0.00 -0.95 0.10 0.00 0.01 0.00 0.00 72.50 71.66 1j5h s THR 81 CO 0.00 -0.44 0.91 -0.60 -0.69 0.00 0.00 174.62 173.80 1j5h s ARG 82 N 2.31 3.21 0.00 4.92 3.52 -1.26 0.21 118.95 131.85 1j5h s ARG 82 Ca 0.10 -1.25 0.00 0.00 -0.13 0.00 0.00 55.73 54.45 1j5h s ARG 82 Cb -0.14 -4.40 0.00 0.00 -1.56 0.00 0.00 34.95 28.86 1j5h s ARG 82 CO -0.29 -1.70 0.00 0.91 -0.81 0.00 0.00 175.30 173.41 1j5h n TRP 83 N 6.87 0.00 -0.85 5.12 5.03 -0.74 -4.99 117.44 127.87 1j5h n TRP 83 Ca 0.01 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.54 1j5h n TRP 83 Cb 0.45 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.73 1j5h n TRP 83 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1j5h n GLY 84 N 2.97 -2.60 2.20 6.99 0.00 -0.76 -4.83 105.19 109.16 1j5h n GLY 84 Ca 0.00 -0.64 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 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 0.25 -1.54 -4.20 2.61 -1.04 -1.26 -4.77 114.28 104.33 1j5h n THR 85 Ca 0.00 0.20 -0.12 0.00 -2.04 0.00 0.00 64.05 62.09 1j5h n THR 85 Cb 0.00 -1.84 -0.10 0.00 -1.82 0.00 0.00 70.33 66.57 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 -0.67 0.07 -0.26 12.58 0.11 -0.59 -4.93 120.40 126.70 1j5h s VAL 86 Ca 0.08 -1.99 -0.20 0.00 -2.93 0.00 0.00 61.98 56.94 1j5h s VAL 86 Cb -0.01 -2.44 -0.02 0.00 -1.53 0.00 0.00 36.38 32.38 1j5h s VAL 86 CO 0.18 -0.07 0.62 -1.81 -3.33 0.00 0.00 175.10 170.69 1j5h s ASP 87 N -3.16 6.55 0.15 3.54 1.01 -1.26 -0.49 116.67 123.01 1j5h s ASP 87 Ca 0.37 0.64 -0.17 0.00 0.71 0.00 0.00 52.55 54.10 1j5h s ASP 87 Cb 0.07 -2.33 0.01 0.00 1.01 0.00 0.00 42.92 41.68 1j5h s ASP 87 CO 0.11 -0.38 1.81 0.00 0.21 0.00 0.00 175.17 176.91 1j5h h THR 89 N 0.49 0.15 0.00 0.00 1.03 -1.82 3.21 112.91 115.97 1j5h h THR 89 Ca 0.14 0.00 -0.06 0.00 -0.01 0.00 0.00 66.41 66.48 1j5h h THR 89 Cb -0.04 0.50 -0.01 0.00 -1.07 0.00 0.00 68.15 67.52 1j5h h THR 89 CO -0.04 0.00 -0.98 0.74 -0.01 0.00 0.00 175.52 175.23 1j5h h THR 90 N 0.00 0.23 -0.03 0.00 2.02 -1.32 -3.32 112.91 110.50 1j5h h THR 90 Ca 0.14 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 65.90 1j5h h THR 90 Cb 1.29 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.50 1j5h h THR 90 CO -0.00 0.13 0.00 0.00 0.37 0.00 0.00 175.52 176.02 1j5h n ALA 91 N -2.24 2.25 -4.04 6.16 0.00 0.66 -4.98 120.51 118.32 1j5h n ALA 91 Ca -0.02 -2.15 -0.27 0.00 0.00 0.00 0.00 53.44 51.00 1j5h n ALA 91 Cb 0.66 -0.31 -0.08 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.07 -1.88 -0.55 0.00 0.00 0.92 -4.06 120.51 113.87 1j5h n ALA 92 Ca 0.12 -0.36 -0.08 0.00 0.00 0.00 0.00 53.44 53.12 1j5h n ALA 92 Cb 0.55 -0.73 0.14 0.00 0.00 0.00 0.00 19.45 19.41 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 -3.36 0.90 -0.29 0.00 0.00 0.19 -1.40 119.66 115.69 1j5h s GLN 94 Ca 0.31 -0.98 -0.02 0.00 -0.00 0.00 0.00 55.36 54.68 1j5h s GLN 94 Cb -0.05 0.35 0.10 0.00 0.00 0.00 0.00 33.01 33.40 1j5h s GLN 94 CO 0.26 -0.30 0.10 0.54 0.00 0.00 0.00 175.29 175.89 1j5h s VAL 95 N -3.87 0.65 0.00 3.63 0.11 -0.72 -1.10 120.40 119.10 1j5h s VAL 95 Ca 0.07 -1.18 0.00 0.00 -2.93 0.00 0.00 61.98 57.94 1j5h s VAL 95 Cb 0.04 -1.46 0.00 0.00 -1.53 0.00 0.00 36.38 33.44 1j5h s VAL 95 CO -0.09 -0.63 0.00 0.61 -3.33 0.00 0.00 175.10 171.65 1j5h n GLY 96 N 4.95 4.30 3.79 6.54 0.00 0.54 -4.08 105.19 121.23 1j5h n GLY 96 Ca -0.04 -2.10 -0.27 0.00 0.00 0.00 0.00 46.02 43.61 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 3.80 0.04 0.99 2.01 -1.25 -0.56 118.68 123.71 1j5h s LEU 97 Ca 0.00 -0.11 0.00 0.00 0.01 0.00 0.00 54.13 54.03 1j5h s LEU 97 Cb 0.00 -2.43 -0.03 0.00 0.01 0.00 0.00 46.19 43.75 1j5h s LEU 97 CO 0.00 0.09 -0.04 -0.55 1.01 0.00 0.00 176.35 176.86 1j5h s SER 98 N -2.96 0.44 0.61 2.29 0.15 0.43 -4.46 113.70 110.21 1j5h s SER 98 Ca 0.31 -0.69 -0.01 0.00 0.70 0.00 0.00 55.95 56.25 1j5h s SER 98 Cb -0.10 0.12 0.05 0.00 -1.71 0.00 0.00 66.02 64.38 1j5h s SER 98 CO 0.23 -0.39 0.86 -1.81 1.20 0.00 0.00 173.24 173.33 1j5h s ASP 99 N -2.03 5.04 0.44 5.45 1.11 -1.15 0.13 116.67 125.66 1j5h s ASP 99 Ca -0.06 0.04 0.26 0.00 0.18 0.00 0.00 52.55 52.96 1j5h s ASP 99 Cb -0.03 -0.80 1.40 0.00 1.07 0.00 0.00 42.92 44.56 1j5h s ASP 99 CO -0.04 -1.35 1.77 0.00 1.18 0.00 0.00 175.17 176.73 1j5h h ALA 100 N -0.16 1.08 -0.01 5.23 0.00 -1.93 1.59 119.26 125.05 1j5h h ALA 100 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1j5h h ALA 100 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1j5h h ALA 100 CO 0.52 -0.08 -0.30 0.00 0.00 0.00 0.00 179.25 179.39 1j5h n ALA 101 N -1.81 3.17 -1.23 0.00 0.00 -1.26 -4.92 120.51 114.46 1j5h n ALA 101 Ca -0.02 -0.40 -0.08 0.00 0.00 0.00 0.00 53.44 52.94 1j5h n ALA 101 Cb 0.14 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 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 1.37 1.00 0.36 0.00 0.00 0.54 -5.01 105.19 103.45 1j5h n GLY 102 Ca 0.11 -0.61 -0.02 0.00 0.00 0.00 0.00 46.02 45.50 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 0.55 0.14 -3.35 1.61 4.13 -1.26 -4.75 115.26 112.33 1j5h n ASN 103 Ca -0.08 -1.11 -0.14 0.00 1.68 0.00 0.00 54.58 54.92 1j5h n ASN 103 Cb 0.28 -0.06 0.03 0.00 -1.54 0.00 0.00 39.78 38.49 1j5h n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1j5h n GLY 104 N 4.29 -1.18 0.00 7.41 0.00 -1.26 -2.91 105.19 111.54 1j5h n GLY 104 Ca 0.02 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -2.80 -0.09 -0.79 1.61 -0.04 -1.26 -4.29 135.00 127.35 1j5h n PRO 105 Ca -0.08 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.48 1j5h n PRO 105 Cb 0.58 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.99 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 -0.91 -1.78 0.00 0.54 2.13 -1.26 -4.85 120.64 114.52 1j5h n GLU 106 Ca 0.00 1.39 0.00 0.00 0.66 0.00 0.00 57.16 59.21 1j5h n GLU 106 Cb 0.00 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 29.61 1j5h n GLU 106 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1j5h n GLY 107 N -3.40 -2.33 3.61 8.31 0.00 -1.26 -3.76 105.19 106.36 1j5h n GLY 107 Ca -0.04 0.77 -0.01 0.00 0.00 0.00 0.00 46.02 46.74 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 -0.46 -0.05 -0.23 1.61 0.11 -1.23 -4.11 120.40 116.03 1j5h s VAL 108 Ca 0.00 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.79 1j5h s VAL 108 Cb 0.00 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1j5h s VAL 108 CO 0.00 0.00 0.91 0.00 -3.33 0.00 0.00 175.10 172.68 1j5h s ALA 109 N 1.43 3.65 0.08 1.54 0.00 -1.26 -1.76 121.76 125.44 1j5h s ALA 109 Ca -0.08 0.01 0.08 0.00 0.00 0.00 0.00 51.96 51.96 1j5h s ALA 109 Cb -0.04 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 1j5h s ALA 109 CO -0.14 -0.94 -0.17 0.42 0.00 0.00 0.00 175.76 174.93 1j5h s ILE 110 N 2.88 2.91 -0.19 0.00 1.01 -0.49 -4.86 121.20 122.47 1j5h s ILE 110 Ca 0.39 -1.33 -0.03 0.00 0.00 0.00 0.00 60.65 59.67 1j5h s ILE 110 Cb -0.15 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 1j5h s ILE 110 CO 0.08 0.20 -0.06 -0.44 0.00 0.00 0.00 174.94 174.72 1j5h s SER 111 N -1.86 4.37 -0.18 3.58 0.01 -0.67 -4.10 113.70 114.85 1j5h s SER 111 Ca 0.17 -0.31 -0.08 0.00 1.31 0.00 0.00 55.95 57.04 1j5h s SER 111 Cb -0.11 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.35 1j5h s SER 111 CO 0.09 0.06 0.09 -0.36 0.41 0.00 0.00 173.24 173.53 1j5h s PHE 112 N 0.98 3.34 -2.00 2.43 0.40 -1.26 0.29 117.98 122.15 1j5h s PHE 112 Ca -0.00 0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.55 1j5h s PHE 112 Cb -0.15 -2.09 0.05 0.00 0.51 0.00 0.00 43.02 41.34 1j5h s PHE 112 CO 0.00 0.26 0.54 -1.71 0.70 0.00 0.00 175.22 175.02