#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5i s ALA 2 N 0.00 3.75 0.11 0.00 0.00 -1.26 -5.06 121.76 119.31 1j5i s ALA 2 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 1j5i s ALA 2 Cb 0.00 -2.10 -0.06 0.00 0.00 0.00 0.00 23.12 20.95 1j5i s ALA 2 CO 0.00 0.34 1.14 -1.25 0.00 0.00 0.00 175.76 176.00 1j5i s PRO 3 N -3.46 4.51 0.24 0.00 0.04 -1.26 -4.33 135.00 130.73 1j5i s PRO 3 Ca 0.40 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1j5i s PRO 3 Cb -0.11 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1j5i s PRO 3 CO 0.30 -0.10 0.00 0.25 0.04 0.00 0.00 177.00 177.49 1j5i n THR 4 N 3.19 0.00 -1.54 1.26 -2.24 -1.13 -4.60 114.28 109.22 1j5i n THR 4 Ca 0.06 0.08 -0.52 0.00 -2.27 0.00 0.00 64.05 61.39 1j5i n THR 4 Cb 0.46 -0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 68.25 1j5i n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j5i n ALA 5 N -1.93 -1.94 -3.27 6.98 0.00 -1.24 -4.04 120.51 115.07 1j5i n ALA 5 Ca -0.00 0.51 -0.13 0.00 0.00 0.00 0.00 53.44 53.82 1j5i n ALA 5 Cb 0.61 -1.91 -0.09 0.00 0.00 0.00 0.00 19.45 18.06 1j5i n ALA 5 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1j5i s THR 6 N -0.08 0.03 -0.08 0.00 -4.23 0.12 -4.31 115.64 107.09 1j5i s THR 6 Ca 0.80 -0.21 -0.27 0.00 -1.18 0.00 0.00 61.69 60.83 1j5i s THR 6 Cb -1.01 -0.60 -0.02 0.00 1.34 0.00 0.00 72.50 72.21 1j5i s THR 6 CO 0.53 -0.12 0.87 -0.69 -0.54 0.00 0.00 174.62 174.68 1j5i s VAL 7 N -0.55 4.91 0.17 2.29 1.01 -1.26 -1.97 120.40 125.00 1j5i s VAL 7 Ca -0.07 1.79 -0.24 0.00 0.00 0.00 0.00 61.98 63.46 1j5i s VAL 7 Cb -0.04 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.19 1j5i s VAL 7 CO 0.03 0.13 1.43 0.41 0.00 0.00 0.00 175.10 177.09 1j5i n THR 8 N 4.18 -0.58 -0.12 3.92 -1.04 -0.61 -4.47 114.28 115.56 1j5i n THR 8 Ca 0.04 2.21 0.00 0.00 -2.04 0.00 0.00 64.05 64.26 1j5i n THR 8 Cb 0.50 -2.80 0.00 0.00 -1.82 0.00 0.00 70.33 66.22 1j5i n THR 8 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1j5i n PRO 9 N -5.23 0.76 0.00 -2.82 -0.04 -1.26 -5.06 135.00 121.35 1j5i n PRO 9 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1j5i n PRO 9 Cb 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 1j5i n PRO 9 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1j5i n SER 10 N -0.48 0.00 -3.35 3.54 7.64 -1.26 -4.93 113.62 114.78 1j5i n SER 10 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1j5i n SER 10 Cb 0.00 0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.19 1j5i n SER 10 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1j5i n SER 11 N -2.21 3.15 0.31 6.43 7.64 -1.26 -1.58 113.62 126.09 1j5i n SER 11 Ca 0.00 -2.44 0.10 0.00 1.01 0.00 0.00 58.87 57.55 1j5i n SER 11 Cb 0.00 -0.99 0.50 0.00 -1.01 0.00 0.00 64.21 62.71 1j5i n SER 11 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1j5i h GLY 12 N 11.34 0.00 -6.35 0.23 0.00 -1.70 -3.26 103.07 103.32 1j5i h GLY 12 Ca 0.39 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 47.25 1j5i h GLY 12 CO 1.64 0.00 1.88 1.47 0.00 0.00 0.00 176.54 181.53 1j5i n LEU 13 N -2.79 2.69 -3.70 3.11 -0.00 -0.29 -4.68 117.00 111.34 1j5i n LEU 13 Ca -0.00 -2.18 -0.18 0.00 -0.00 0.00 0.00 56.01 53.65 1j5i n LEU 13 Cb 0.65 -0.83 -0.17 0.00 -0.00 0.00 0.00 43.42 43.07 1j5i n LEU 13 CO 0.09 -0.79 -0.32 -0.55 -0.00 0.00 0.00 177.39 175.82 1j5i s SER 14 N 5.28 0.72 -0.78 1.45 0.15 -1.23 -5.05 113.70 114.24 1j5i s SER 14 Ca 0.48 0.12 -0.14 0.00 0.70 0.00 0.00 55.95 57.12 1j5i s SER 14 Cb 0.11 -0.04 -0.23 0.00 -1.71 0.00 0.00 66.02 64.16 1j5i s SER 14 CO 0.14 -0.21 1.84 -0.90 1.20 0.00 0.00 173.24 175.30 1j5i n ASP 15 N 4.95 -0.63 -3.75 5.45 5.75 -1.26 -0.55 116.55 126.51 1j5i n ASP 15 Ca -0.11 -0.21 -0.25 0.00 -0.01 0.00 0.00 54.79 54.21 1j5i n ASP 15 Cb 0.50 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j5i n GLY 16 N 4.58 -1.26 3.68 6.12 0.00 -0.98 -4.83 105.19 112.49 1j5i n GLY 16 Ca 0.52 0.57 -0.43 0.00 0.00 0.00 0.00 46.02 46.68 1j5i n GLY 16 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j5i s THR 17 N -3.05 4.17 -0.23 2.61 -1.32 0.29 -4.46 115.64 113.65 1j5i s THR 17 Ca 0.06 1.48 -0.13 0.00 -1.21 0.00 0.00 61.69 61.88 1j5i s THR 17 Cb -0.03 -3.95 -0.04 0.00 -1.51 0.00 0.00 72.50 66.97 1j5i s THR 17 CO 0.89 -0.05 0.29 -0.69 -2.21 0.00 0.00 174.62 172.84 1j5i s VAL 18 N 2.79 5.27 0.00 5.08 1.01 -1.26 0.22 120.40 133.51 1j5i s VAL 18 Ca 0.57 0.45 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1j5i s VAL 18 Cb -0.25 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1j5i s VAL 18 CO 0.20 0.28 0.00 1.33 0.00 0.00 0.00 175.10 176.91 1j5i n VAL 19 N 4.46 0.00 -4.15 2.92 0.24 -0.56 -5.00 118.33 116.24 1j5i n VAL 19 Ca -0.11 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.84 1j5i n VAL 19 Cb 0.51 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.81 1j5i n VAL 19 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1j5i s LYS 20 N -1.93 3.13 -0.53 7.34 1.02 -1.26 -1.57 119.74 125.93 1j5i s LYS 20 Ca 0.00 -0.36 0.02 0.00 0.02 0.00 0.00 55.97 55.65 1j5i s LYS 20 Cb 0.00 -2.92 0.13 0.00 -0.52 0.00 0.00 37.83 34.53 1j5i s LYS 20 CO 0.00 0.70 0.28 0.08 -0.92 0.00 0.00 175.35 175.50 1j5i s VAL 21 N -1.03 2.85 -0.10 3.17 1.01 0.24 -1.58 120.40 124.96 1j5i s VAL 21 Ca 0.17 -3.12 -0.18 0.00 0.00 0.00 0.00 61.98 58.85 1j5i s VAL 21 Cb -0.12 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1j5i s VAL 21 CO 0.07 -0.80 0.47 0.00 0.00 0.00 0.00 175.10 174.83 1j5i s ALA 22 N -0.10 3.51 -0.29 5.51 0.00 -0.83 -1.53 121.76 128.03 1j5i s ALA 22 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1j5i s ALA 22 Cb -0.24 -2.61 0.09 0.00 0.00 0.00 0.00 23.12 20.36 1j5i s ALA 22 CO -0.02 0.07 0.06 0.20 0.00 0.00 0.00 175.76 176.07 1j5i s GLY 23 N 0.35 1.26 -0.35 0.00 0.00 0.94 0.12 107.32 109.65 1j5i s GLY 23 Ca 0.25 -1.71 -0.23 0.00 0.00 0.00 0.00 44.72 43.03 1j5i s GLY 23 CO 0.11 1.33 0.78 0.00 0.00 0.00 0.00 173.10 175.32 1j5i s ALA 24 N 1.45 3.46 -0.03 3.20 0.00 -1.25 -0.77 121.76 127.82 1j5i s ALA 24 Ca 0.06 -0.61 -0.00 0.00 0.00 0.00 0.00 51.96 51.42 1j5i s ALA 24 Cb -0.18 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1j5i s ALA 24 CO -0.17 -1.40 0.01 0.41 0.00 0.00 0.00 175.76 174.61 1j5i n GLY 25 N 4.45 0.64 0.00 0.00 0.00 0.31 -2.84 105.19 107.75 1j5i n GLY 25 Ca 0.03 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1j5i n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j5i n LEU 26 N -0.31 0.00 -0.31 0.99 -0.00 -0.59 -4.47 117.00 112.30 1j5i n LEU 26 Ca -0.00 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 56.03 1j5i n LEU 26 Cb 0.50 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.99 1j5i n LEU 26 CO 0.01 0.00 0.54 1.67 -0.00 0.00 0.00 177.39 179.60 1j5i n GLN 27 N 0.00 1.37 -0.59 1.96 0.00 -1.26 -4.82 117.38 114.04 1j5i n GLN 27 Ca 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 57.00 56.48 1j5i n GLN 27 Cb 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 30.24 29.08 1j5i n GLN 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1j5i n ALA 28 N -0.07 0.00 0.00 1.69 0.00 -1.26 -1.90 120.51 118.97 1j5i n ALA 28 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1j5i n ALA 28 Cb 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1j5i n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5i n GLY 29 N -2.00 0.69 0.00 0.00 0.00 -1.24 -2.64 105.19 100.00 1j5i n GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1j5i n GLY 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j5i n THR 30 N 0.00 0.00 -3.64 2.61 -1.04 -0.80 -3.58 114.28 107.83 1j5i n THR 30 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.75 1j5i n THR 30 Cb 0.00 -0.05 -0.17 0.00 -1.82 0.00 0.00 70.33 68.29 1j5i n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j5i s ALA 31 N -2.10 0.56 0.15 2.41 0.00 -1.26 -1.61 121.76 119.91 1j5i s ALA 31 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1j5i s ALA 31 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 22.07 1j5i s ALA 31 CO 0.00 -1.15 0.00 0.66 0.00 0.00 0.00 175.76 175.27 1j5i n TYR 32 N 5.22 0.32 -3.84 0.00 4.02 0.49 -4.69 117.16 118.69 1j5i n TYR 32 Ca -0.07 -0.73 -0.36 0.00 -0.01 0.00 0.00 57.90 56.72 1j5i n TYR 32 Cb 0.49 -0.10 -0.13 0.00 -0.02 0.00 0.00 39.34 39.57 1j5i n TYR 32 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1j5i s ASP 33 N -1.82 4.83 0.21 7.72 1.01 0.62 -0.28 116.67 128.97 1j5i s ASP 33 Ca 0.00 -0.81 -0.30 0.00 0.71 0.00 0.00 52.55 52.16 1j5i s ASP 33 Cb -0.00 -1.79 -0.08 0.00 1.01 0.00 0.00 42.92 42.05 1j5i s ASP 33 CO 0.00 -0.18 1.05 -0.69 0.21 0.00 0.00 175.17 175.56 1j5i s VAL 34 N 1.42 3.88 0.00 -1.27 1.01 0.32 -0.04 120.40 125.73 1j5i s VAL 34 Ca 0.01 1.74 0.00 0.00 0.00 0.00 0.00 61.98 63.73 1j5i s VAL 34 Cb -0.17 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1j5i s VAL 34 CO -0.00 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1j5i n GLY 35 N 1.72 1.11 3.40 4.51 0.00 0.60 0.04 105.19 116.58 1j5i n GLY 35 Ca 0.01 -0.43 -0.45 0.00 0.00 0.00 0.00 46.02 45.15 1j5i n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j5i s GLN 36 N -2.00 3.29 0.20 1.61 -0.21 -1.26 -1.34 119.66 119.96 1j5i s GLN 36 Ca 0.00 -1.55 0.06 0.00 0.02 0.00 0.00 55.36 53.89 1j5i s GLN 36 Cb 0.00 -4.47 -0.04 0.00 1.00 0.00 0.00 33.01 29.50 1j5i s GLN 36 CO 0.00 -1.61 0.18 0.00 -2.12 0.00 0.00 175.29 171.74 1j5i n ALA 38 N -0.70 0.00 -2.20 0.00 0.00 -0.51 -1.15 120.51 115.96 1j5i n ALA 38 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 1j5i n ALA 38 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 1j5i n ALA 38 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1j5i s TRP 39 N -2.00 2.33 -0.24 0.00 1.48 -1.26 -0.76 118.94 118.48 1j5i s TRP 39 Ca 0.00 0.61 -0.10 0.00 -1.06 0.00 0.00 56.10 55.55 1j5i s TRP 39 Cb 0.00 -3.84 -0.11 0.00 -1.16 0.00 0.00 33.47 28.36 1j5i s TRP 39 CO 0.00 -2.70 -0.30 1.55 -4.06 0.00 0.00 176.95 171.44 1j5i n VAL 40 N 5.90 1.33 -0.55 -0.66 3.14 -0.68 -4.69 118.33 122.13 1j5i n VAL 40 Ca 0.17 -0.36 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 1j5i n VAL 40 Cb 0.45 -1.76 0.00 0.00 -1.06 0.00 0.00 33.84 31.46 1j5i n VAL 40 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1j5i n ASP 41 N -3.97 0.00 -4.58 6.55 4.64 -1.20 -4.85 116.55 113.13 1j5i n ASP 41 Ca -0.47 -0.02 -0.23 0.00 -1.38 0.00 0.00 54.79 52.69 1j5i n ASP 41 Cb 0.85 0.00 -0.08 0.00 -1.04 0.00 0.00 41.12 40.85 1j5i n ASP 41 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 1j5i s THR 42 N 0.51 3.36 -0.05 5.18 2.01 -1.26 -3.19 115.64 122.19 1j5i s THR 42 Ca 0.00 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.41 1j5i s THR 42 Cb 0.00 -4.33 0.00 0.00 0.01 0.00 0.00 72.50 68.18 1j5i s THR 42 CO 0.00 -0.66 0.00 0.61 -0.69 0.00 0.00 174.62 173.88 1j5i n GLY 43 N 5.98 0.22 3.58 4.40 0.00 -1.26 -4.93 105.19 113.17 1j5i n GLY 43 Ca 0.44 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 46.01 1j5i n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j5i s VAL 44 N -1.39 4.52 -0.38 1.61 1.01 -1.19 -4.94 120.40 119.64 1j5i s VAL 44 Ca 0.00 0.95 -0.28 0.00 0.00 0.00 0.00 61.98 62.65 1j5i s VAL 44 Cb 0.00 -4.39 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 1j5i s VAL 44 CO 0.00 -0.70 1.86 -0.76 0.00 0.00 0.00 175.10 175.50 1j5i s LEU 45 N 3.64 3.46 0.03 3.92 1.43 -1.26 -1.68 118.68 128.22 1j5i s LEU 45 Ca 0.38 1.17 0.08 0.00 -1.03 0.00 0.00 54.13 54.72 1j5i s LEU 45 Cb -0.11 -3.30 -0.02 0.00 0.03 0.00 0.00 46.19 42.79 1j5i s LEU 45 CO 0.23 -1.89 -0.24 0.00 0.23 0.00 0.00 176.35 174.68 1j5i s ALA 46 N 7.60 2.03 0.13 4.21 0.00 0.06 -0.02 121.76 135.76 1j5i s ALA 46 Ca 0.80 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 51.67 1j5i s ALA 46 Cb -0.21 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1j5i s ALA 46 CO 0.31 0.48 0.01 0.00 0.00 0.00 0.00 175.76 176.56 1j5i s ASN 48 N -2.60 3.74 0.11 0.00 0.02 -1.20 0.43 114.94 115.45 1j5i s ASN 48 Ca 0.27 0.73 0.23 0.00 -1.02 0.00 0.00 52.86 53.07 1j5i s ASN 48 Cb -0.11 -1.15 0.92 0.00 0.02 0.00 0.00 41.25 40.93 1j5i s ASN 48 CO 0.19 -2.38 1.72 -0.81 0.02 0.00 0.00 177.10 175.84 1j5i n PRO 49 N -3.62 0.11 -0.54 -0.60 -0.04 -1.26 -2.22 135.00 126.83 1j5i n PRO 49 Ca 0.09 0.22 0.08 0.00 -0.04 0.00 0.00 63.50 63.85 1j5i n PRO 49 Cb 0.60 -1.67 0.29 0.00 -0.04 0.00 0.00 33.50 32.69 1j5i n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j5i n ALA 50 N -1.64 3.13 1.29 0.55 0.00 -1.26 -4.32 120.51 118.26 1j5i n ALA 50 Ca 0.05 -2.02 0.10 0.00 0.00 0.00 0.00 53.44 51.57 1j5i n ALA 50 Cb 0.29 -0.81 0.36 0.00 0.00 0.00 0.00 19.45 19.29 1j5i n ALA 50 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1j5i n ASP 51 N 0.05 1.46 -4.19 0.00 -0.08 -0.94 -4.44 116.55 108.42 1j5i n ASP 51 Ca 0.22 -1.71 -0.40 0.00 -1.51 0.00 0.00 54.79 51.39 1j5i n ASP 51 Cb 0.92 -0.11 -0.08 0.00 2.34 0.00 0.00 41.12 44.19 1j5i n ASP 51 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1j5i s PHE 52 N -1.79 3.50 -0.44 -0.67 0.08 -1.22 -3.10 117.98 114.33 1j5i s PHE 52 Ca 0.30 -2.21 0.05 0.00 0.12 0.00 0.00 56.93 55.19 1j5i s PHE 52 Cb 0.16 -3.44 0.18 0.00 -0.57 0.00 0.00 43.02 39.34 1j5i s PHE 52 CO 0.24 -0.94 0.46 0.45 -0.10 0.00 0.00 175.22 175.33 1j5i s SER 53 N 1.87 0.50 0.15 1.36 0.15 0.11 -4.95 113.70 112.88 1j5i s SER 53 Ca 0.12 -2.58 -0.34 0.00 0.70 0.00 0.00 55.95 53.85 1j5i s SER 53 Cb -0.21 0.34 -0.16 0.00 -1.71 0.00 0.00 66.02 64.28 1j5i s SER 53 CO -0.03 -0.14 1.10 -1.54 1.20 0.00 0.00 173.24 173.83 1j5i n SER 54 N 2.94 0.92 -3.65 5.45 3.41 -1.26 -0.52 113.62 120.91 1j5i n SER 54 Ca 0.25 1.14 -0.10 0.00 -0.26 0.00 0.00 58.87 59.91 1j5i n SER 54 Cb 0.50 -1.15 -0.02 0.00 -0.26 0.00 0.00 64.21 63.28 1j5i n SER 54 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1j5i s VAL 55 N -0.21 0.00 0.12 -3.33 0.11 0.62 -4.78 120.40 112.94 1j5i s VAL 55 Ca 0.75 -0.53 0.04 0.00 -2.93 0.00 0.00 61.98 59.32 1j5i s VAL 55 Cb -0.92 -1.51 -0.04 0.00 -1.53 0.00 0.00 36.38 32.38 1j5i s VAL 55 CO 0.53 -0.01 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.30 1j5i s THR 56 N -3.84 1.02 0.10 5.04 2.01 -1.26 -0.38 115.64 118.33 1j5i s THR 56 Ca 0.06 -1.89 0.02 0.00 0.31 0.00 0.00 61.69 60.20 1j5i s THR 56 Cb -0.03 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 1j5i s THR 56 CO -0.03 -0.69 0.19 0.00 -0.69 0.00 0.00 174.62 173.40 1j5i s ALA 57 N -3.03 3.84 0.86 7.40 0.00 -0.63 -4.52 121.76 125.68 1j5i s ALA 57 Ca 0.12 -0.98 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 1j5i s ALA 57 Cb 0.01 -1.66 0.11 0.00 0.00 0.00 0.00 23.12 21.57 1j5i s ALA 57 CO -0.00 0.70 1.09 -0.51 0.00 0.00 0.00 175.76 177.04 1j5i s ASP 58 N -2.73 3.73 0.33 0.00 1.01 0.16 -4.11 116.67 115.05 1j5i s ASP 58 Ca 0.33 1.68 0.17 0.00 0.71 0.00 0.00 52.55 55.44 1j5i s ASP 58 Cb -0.12 -2.34 1.16 0.00 1.01 0.00 0.00 42.92 42.62 1j5i s ASP 58 CO 0.26 -2.51 1.43 0.00 0.21 0.00 0.00 175.17 174.56 1j5i n ALA 59 N -3.82 0.87 -0.61 5.23 0.00 -1.26 0.40 120.51 121.33 1j5i n ALA 59 Ca 0.08 0.93 -0.12 0.00 0.00 0.00 0.00 53.44 54.33 1j5i n ALA 59 Cb 0.54 -0.90 0.04 0.00 0.00 0.00 0.00 19.45 19.13 1j5i n ALA 59 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1j5i n ASN 60 N -5.08 5.64 -4.39 0.00 5.15 -1.26 -4.53 115.26 110.79 1j5i n ASN 60 Ca 0.33 -2.85 -0.37 0.00 -0.60 0.00 0.00 54.58 51.09 1j5i n ASN 60 Cb 1.11 -0.99 -0.07 0.00 -0.53 0.00 0.00 39.78 39.30 1j5i n ASN 60 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1j5i n GLY 61 N 0.49 -0.31 3.24 8.20 0.00 1.31 -3.58 105.19 114.54 1j5i n GLY 61 Ca 0.23 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 1j5i n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j5i s SER 62 N -3.67 5.81 -0.61 1.61 0.01 -0.99 0.11 113.70 115.96 1j5i s SER 62 Ca 0.52 -1.83 -0.16 0.00 1.31 0.00 0.00 55.95 55.79 1j5i s SER 62 Cb -0.30 -2.05 0.15 0.00 0.21 0.00 0.00 66.02 64.03 1j5i s SER 62 CO 1.00 -0.71 0.58 0.00 0.41 0.00 0.00 173.24 174.51 1j5i s ALA 63 N 1.42 3.74 -0.99 1.44 0.00 0.05 0.37 121.76 127.80 1j5i s ALA 63 Ca 0.05 -2.71 -0.04 0.00 0.00 0.00 0.00 51.96 49.26 1j5i s ALA 63 Cb -0.27 -3.35 0.26 0.00 0.00 0.00 0.00 23.12 19.77 1j5i s ALA 63 CO 0.00 -2.10 1.05 -1.13 0.00 0.00 0.00 175.76 173.58 1j5i n SER 64 N 5.02 5.09 -4.60 0.00 3.41 -1.25 -0.04 113.62 121.25 1j5i n SER 64 Ca -0.07 -3.20 -0.34 0.00 -0.26 0.00 0.00 58.87 55.00 1j5i n SER 64 Cb 0.42 -1.17 -0.11 0.00 -0.26 0.00 0.00 64.21 63.09 1j5i n SER 64 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1j5i s THR 65 N -1.79 3.87 -0.03 6.66 -1.32 -0.58 -4.82 115.64 117.63 1j5i s THR 65 Ca 0.31 -0.41 -0.20 0.00 -1.21 0.00 0.00 61.69 60.18 1j5i s THR 65 Cb -0.03 -2.60 -0.05 0.00 -1.51 0.00 0.00 72.50 68.31 1j5i s THR 65 CO -0.05 0.60 0.56 -0.94 -2.21 0.00 0.00 174.62 172.58 1j5i s SER 66 N -0.78 6.90 0.16 8.08 1.04 -1.26 0.79 113.70 128.63 1j5i s SER 66 Ca 0.12 1.07 -0.05 0.00 0.48 0.00 0.00 55.95 57.57 1j5i s SER 66 Cb -0.11 -2.34 -0.02 0.00 0.10 0.00 0.00 66.02 63.64 1j5i s SER 66 CO 0.02 0.09 0.19 -0.22 0.98 0.00 0.00 173.24 174.29 1j5i s LEU 67 N -0.03 1.27 -0.02 2.42 1.98 -0.61 -4.93 118.68 118.76 1j5i s LEU 67 Ca 0.30 -1.06 -0.00 0.00 -2.89 0.00 0.00 54.13 50.48 1j5i s LEU 67 Cb -0.17 0.79 -0.04 0.00 0.66 0.00 0.00 46.19 47.43 1j5i s LEU 67 CO 0.15 -0.84 0.04 0.28 -1.89 0.00 0.00 176.35 174.10 1j5i s THR 68 N -4.02 4.49 -1.06 3.68 -1.32 -1.26 -1.49 115.64 114.66 1j5i s THR 68 Ca 0.22 -0.44 -0.16 0.00 -1.21 0.00 0.00 61.69 60.10 1j5i s THR 68 Cb 0.05 -3.01 0.15 0.00 -1.51 0.00 0.00 72.50 68.18 1j5i s THR 68 CO 0.02 0.40 1.27 -0.69 -2.21 0.00 0.00 174.62 173.41 1j5i s VAL 69 N -1.11 4.90 -1.26 5.08 1.01 0.61 -4.81 120.40 124.81 1j5i s VAL 69 Ca 0.20 -2.11 -0.12 0.00 0.00 0.00 0.00 61.98 59.95 1j5i s VAL 69 Cb -0.12 -4.84 0.15 0.00 0.00 0.00 0.00 36.38 31.58 1j5i s VAL 69 CO 0.11 -1.55 1.69 0.54 0.00 0.00 0.00 175.10 175.89 1j5i n ARG 70 N 6.05 3.42 -0.09 2.72 5.12 -1.26 -2.33 116.66 130.29 1j5i n ARG 70 Ca 0.30 -3.59 0.22 0.00 -1.93 0.00 0.00 57.85 52.85 1j5i n ARG 70 Cb 0.46 -3.06 0.66 0.00 -1.16 0.00 0.00 32.46 29.36 1j5i n ARG 70 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1j5i h ARG 71 N 6.56 0.09 -5.28 5.56 2.43 -1.84 -3.38 114.38 118.51 1j5i h ARG 71 Ca 0.38 -0.01 -0.63 0.00 -0.81 0.00 0.00 59.98 58.92 1j5i h ARG 71 Cb 0.76 -0.02 -0.19 0.00 -0.42 0.00 0.00 29.97 30.10 1j5i h ARG 71 CO 1.46 0.06 -0.62 -1.54 -1.51 0.00 0.00 179.97 177.82 1j5i s SER 72 N -5.96 5.17 0.00 -3.80 1.04 -1.26 -1.51 113.70 107.38 1j5i s SER 72 Ca -0.06 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1j5i s SER 72 Cb 0.21 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 64.46 1j5i s SER 72 CO 0.75 0.17 0.00 0.49 0.98 0.00 0.00 173.24 175.63 1j5i n PHE 73 N 3.57 0.00 -2.38 5.02 3.01 -0.62 -4.93 117.46 121.12 1j5i n PHE 73 Ca -0.17 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.86 1j5i n PHE 73 Cb 0.52 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.97 1j5i n PHE 73 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1j5i s GLU 74 N -0.20 3.78 0.00 -1.08 2.12 -1.26 0.89 118.70 122.95 1j5i s GLU 74 Ca 0.00 1.13 0.00 0.00 0.36 0.00 0.00 54.97 56.46 1j5i s GLU 74 Cb 0.00 -3.94 0.00 0.00 0.26 0.00 0.00 34.13 30.45 1j5i s GLU 74 CO 0.00 -1.30 0.00 0.41 -0.54 0.00 0.00 175.26 173.83 1j5i n GLY 75 N 4.63 2.53 3.26 -1.50 0.00 1.58 -4.18 105.19 111.51 1j5i n GLY 75 Ca 0.16 -1.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.10 1j5i n GLY 75 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j5i s PHE 76 N 3.15 1.61 0.63 1.61 0.40 0.17 0.20 117.98 125.76 1j5i s PHE 76 Ca 0.00 -0.45 -0.02 0.00 -0.60 0.00 0.00 56.93 55.86 1j5i s PHE 76 Cb 0.00 -0.87 0.06 0.00 0.51 0.00 0.00 43.02 42.72 1j5i s PHE 76 CO 0.00 0.18 0.90 -0.51 0.70 0.00 0.00 175.22 176.48 1j5i s LEU 77 N -2.01 3.07 0.54 -0.37 1.43 -0.19 0.40 118.68 121.55 1j5i s LEU 77 Ca 0.06 0.09 0.22 0.00 -1.03 0.00 0.00 54.13 53.46 1j5i s LEU 77 Cb -0.09 -2.80 1.40 0.00 0.03 0.00 0.00 46.19 44.73 1j5i s LEU 77 CO 0.04 -1.43 2.09 2.19 0.23 0.00 0.00 176.35 179.47 1j5i h PHE 78 N -0.27 0.00 0.25 0.29 -0.00 -0.74 -2.77 116.94 113.70 1j5i h PHE 78 Ca -0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.54 1j5i h PHE 78 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.25 1j5i h PHE 78 CO 0.24 0.00 -0.12 0.22 -0.00 0.00 0.00 178.31 178.65 1j5i h ASP 79 N 0.00 -0.29 0.00 -0.68 3.58 -1.93 -3.49 116.42 113.62 1j5i h ASP 79 Ca 0.11 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1j5i h ASP 79 Cb 0.46 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1j5i h ASP 79 CO -0.00 0.04 0.00 0.61 -2.88 0.00 0.00 179.24 177.01 1j5i n GLY 80 N 0.72 0.29 3.06 -0.78 0.00 -1.05 -5.15 105.19 102.29 1j5i n GLY 80 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1j5i n GLY 80 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j5i n THR 81 N 0.00 0.00 -2.82 2.61 -1.04 -1.26 -4.40 114.28 107.37 1j5i n THR 81 Ca 0.00 -0.49 -0.43 0.00 -2.04 0.00 0.00 64.05 61.09 1j5i n THR 81 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 1j5i n THR 81 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1j5i n ARG 82 N 1.94 3.98 0.00 -2.82 1.85 -1.26 -1.02 116.66 119.33 1j5i n ARG 82 Ca 0.03 -4.14 0.00 0.00 -1.00 0.00 0.00 57.85 52.74 1j5i n ARG 82 Cb 0.50 -2.70 0.00 0.00 -1.05 0.00 0.00 32.46 29.21 1j5i n ARG 82 CO 0.00 0.00 0.00 1.87 -0.01 0.00 0.00 177.63 179.49 1j5i n TRP 83 N 2.73 0.00 -1.50 2.89 -0.00 0.54 -4.64 117.44 117.46 1j5i n TRP 83 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.81 1j5i n TRP 83 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.67 1j5i n TRP 83 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1j5i n GLY 84 N 3.74 -3.15 0.00 5.87 0.00 -1.02 0.45 105.19 111.08 1j5i n GLY 84 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1j5i n GLY 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j5i n THR 85 N -0.86 0.00 0.00 2.61 -1.04 -1.26 -2.11 114.28 111.62 1j5i n THR 85 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1j5i n THR 85 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1j5i n THR 85 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1j5i n VAL 86 N 0.00 0.00 -3.24 12.58 3.14 0.26 -4.44 118.33 126.63 1j5i n VAL 86 Ca 0.00 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.26 1j5i n VAL 86 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.73 1j5i n VAL 86 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1j5i s ASP 87 N 0.00 0.21 -0.75 6.55 3.68 -1.26 -1.59 116.67 123.51 1j5i s ASP 87 Ca 0.00 -1.64 -0.05 0.00 2.13 0.00 0.00 52.55 52.99 1j5i s ASP 87 Cb 0.00 0.94 -0.07 0.00 -1.45 0.00 0.00 42.92 42.34 1j5i s ASP 87 CO 0.00 -0.19 2.18 0.00 0.13 0.00 0.00 175.17 177.29 1j5i n THR 89 N 3.87 0.00 0.00 0.00 -1.04 -1.26 -4.63 114.28 111.22 1j5i n THR 89 Ca 0.42 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1j5i n THR 89 Cb 0.22 0.70 0.00 0.00 -1.82 0.00 0.00 70.33 69.43 1j5i n THR 89 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1j5i n THR 90 N -0.37 0.00 -2.56 12.58 -1.04 -1.26 -5.09 114.28 116.53 1j5i n THR 90 Ca 0.12 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.71 1j5i n THR 90 Cb 0.39 -0.12 -0.04 0.00 -1.82 0.00 0.00 70.33 68.75 1j5i n THR 90 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j5i s ALA 91 N -1.45 3.32 -0.09 2.41 0.00 -1.26 -5.00 121.76 119.69 1j5i s ALA 91 Ca 0.00 0.74 -0.27 0.00 0.00 0.00 0.00 51.96 52.42 1j5i s ALA 91 Cb 0.00 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 1j5i s ALA 91 CO 0.00 -0.23 0.90 0.00 0.00 0.00 0.00 175.76 176.43 1j5i s ALA 92 N 0.30 3.37 -0.18 0.00 0.00 -1.26 -4.64 121.76 119.35 1j5i s ALA 92 Ca 0.51 0.28 -0.19 0.00 0.00 0.00 0.00 51.96 52.57 1j5i s ALA 92 Cb -0.27 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1j5i s ALA 92 CO 0.32 -0.45 0.52 0.00 0.00 0.00 0.00 175.76 176.15 1j5i s GLN 94 N 1.40 3.65 -0.35 0.00 -0.21 -0.30 -1.18 119.66 122.67 1j5i s GLN 94 Ca 0.25 -0.41 -0.22 0.00 0.02 0.00 0.00 55.36 55.01 1j5i s GLN 94 Cb -0.15 -3.77 0.00 0.00 1.00 0.00 0.00 33.01 30.09 1j5i s GLN 94 CO 0.10 -0.43 0.71 0.08 -2.12 0.00 0.00 175.29 173.63 1j5i s VAL 95 N 1.92 4.81 0.22 1.09 1.01 -0.39 -0.02 120.40 129.04 1j5i s VAL 95 Ca 0.10 0.78 -0.23 0.00 0.00 0.00 0.00 61.98 62.63 1j5i s VAL 95 Cb -0.17 -4.14 0.05 0.00 0.00 0.00 0.00 36.38 32.12 1j5i s VAL 95 CO 0.11 -0.35 0.87 -0.83 0.00 0.00 0.00 175.10 174.89 1j5i s GLY 96 N 1.79 -0.12 -0.24 4.51 0.00 -0.45 -1.51 107.32 111.30 1j5i s GLY 96 Ca 0.28 -0.12 -0.07 0.00 0.00 0.00 0.00 44.72 44.81 1j5i s GLY 96 CO 0.15 0.07 0.07 0.48 0.00 0.00 0.00 173.10 173.88 1j5i s LEU 97 N -2.97 3.53 0.43 0.66 2.34 -1.26 -0.29 118.68 121.13 1j5i s LEU 97 Ca 0.13 -0.15 0.00 0.00 0.06 0.00 0.00 54.13 54.17 1j5i s LEU 97 Cb -0.03 -1.94 -0.01 0.00 -0.56 0.00 0.00 46.19 43.65 1j5i s LEU 97 CO 0.05 0.01 0.65 -0.94 -1.06 0.00 0.00 176.35 175.06 1j5i s SER 98 N 1.38 5.93 0.67 1.48 1.04 0.94 -4.56 113.70 120.58 1j5i s SER 98 Ca 0.05 0.33 -0.11 0.00 0.48 0.00 0.00 55.95 56.70 1j5i s SER 98 Cb -0.15 -1.64 -0.00 0.00 0.10 0.00 0.00 66.02 64.33 1j5i s SER 98 CO 0.04 -0.63 1.05 -1.81 0.98 0.00 0.00 173.24 172.88 1j5i s ASP 99 N -4.18 5.53 0.00 7.02 1.11 -1.15 -0.27 116.67 124.73 1j5i s ASP 99 Ca 0.47 1.61 0.07 0.00 0.18 0.00 0.00 52.55 54.88 1j5i s ASP 99 Cb -0.10 -2.50 0.20 0.00 1.07 0.00 0.00 42.92 41.60 1j5i s ASP 99 CO 0.38 -1.34 1.16 0.00 1.18 0.00 0.00 175.17 176.55 1j5i n ALA 100 N -2.96 2.47 -0.93 5.23 0.00 -1.26 -4.24 120.51 118.83 1j5i n ALA 100 Ca 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1j5i n ALA 100 Cb 0.54 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1j5i n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j5i n ALA 101 N 0.05 0.00 0.00 0.00 0.00 -1.26 -5.04 120.51 114.26 1j5i n ALA 101 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1j5i n ALA 101 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1j5i n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5i n GLY 102 N 2.44 0.00 3.16 0.00 0.00 -1.26 -5.17 105.19 104.36 1j5i n GLY 102 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1j5i n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j5i s ASN 103 N 0.00 1.24 -0.22 1.61 0.01 -1.26 -5.07 114.94 111.25 1j5i s ASN 103 Ca 0.00 -0.86 0.01 0.00 -0.71 0.00 0.00 52.86 51.29 1j5i s ASN 103 Cb 0.00 0.05 0.06 0.00 0.41 0.00 0.00 41.25 41.76 1j5i s ASN 103 CO 0.00 -0.34 -0.06 -0.83 -1.51 0.00 0.00 177.10 174.36 1j5i s GLY 104 N -2.60 1.24 0.00 0.66 0.00 -1.26 -2.91 107.32 102.44 1j5i s GLY 104 Ca 0.06 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1j5i s GLY 104 CO -0.02 0.91 0.00 -1.55 0.00 0.00 0.00 173.10 172.44 1j5i n PRO 105 N 4.70 0.19 -2.59 2.90 -0.04 -1.26 -4.99 135.00 133.91 1j5i n PRO 105 Ca -0.12 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.93 1j5i n PRO 105 Cb 0.45 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.86 1j5i n PRO 105 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1j5i s GLU 106 N -1.60 4.69 0.41 0.54 8.01 -1.26 -5.02 118.70 124.47 1j5i s GLU 106 Ca 0.00 1.66 0.07 0.00 0.01 0.00 0.00 54.97 56.71 1j5i s GLU 106 Cb 0.00 -3.26 -0.08 0.00 -4.31 0.00 0.00 34.13 26.48 1j5i s GLU 106 CO 0.00 0.25 0.01 0.20 0.01 0.00 0.00 175.26 175.73 1j5i s GLY 107 N -0.61 2.48 -0.33 -1.39 0.00 -1.26 -4.74 107.32 101.48 1j5i s GLY 107 Ca 0.45 -2.29 -0.10 0.00 0.00 0.00 0.00 44.72 42.79 1j5i s GLY 107 CO 0.35 -2.09 0.17 0.54 0.00 0.00 0.00 173.10 172.08 1j5i s VAL 108 N -2.70 4.66 -0.78 1.40 0.11 -0.57 -4.80 120.40 117.72 1j5i s VAL 108 Ca 0.35 -0.48 -0.26 0.00 -2.93 0.00 0.00 61.98 58.66 1j5i s VAL 108 Cb 0.09 -3.42 -0.12 0.00 -1.53 0.00 0.00 36.38 31.41 1j5i s VAL 108 CO 0.18 0.00 2.34 0.00 -3.33 0.00 0.00 175.10 174.29 1j5i s ALA 109 N 1.61 0.92 -0.19 1.54 0.00 -1.26 -1.27 121.76 123.11 1j5i s ALA 109 Ca 0.04 -0.83 -0.14 0.00 0.00 0.00 0.00 51.96 51.04 1j5i s ALA 109 Cb -0.17 -4.55 -0.04 0.00 0.00 0.00 0.00 23.12 18.35 1j5i s ALA 109 CO 0.07 -5.63 0.29 -1.50 0.00 0.00 0.00 175.76 168.99 1j5i s ILE 110 N 13.88 5.29 0.00 0.00 -1.16 -0.32 -4.54 121.20 134.35 1j5i s ILE 110 Ca 0.90 0.50 0.00 0.00 -0.51 0.00 0.00 60.65 61.53 1j5i s ILE 110 Cb -0.12 -3.63 0.00 0.00 0.61 0.00 0.00 42.46 39.32 1j5i s ILE 110 CO 0.08 0.34 0.00 -0.24 -2.81 0.00 0.00 174.94 172.31 1j5i n SER 111 N 4.03 0.00 -3.71 4.50 2.88 -0.62 -3.89 113.62 116.81 1j5i n SER 111 Ca -0.12 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.31 1j5i n SER 111 Cb 0.52 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.87 1j5i n SER 111 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1j5i s PHE 112 N 0.00 -0.53 -1.57 0.66 -0.12 -1.08 -1.13 117.98 114.21 1j5i s PHE 112 Ca 0.00 1.20 0.00 0.00 -0.05 0.00 0.00 56.93 58.08 1j5i s PHE 112 Cb 0.00 0.21 0.00 0.00 -0.63 0.00 0.00 43.02 42.60 1j5i s PHE 112 CO 0.00 -0.29 0.39 0.09 -0.05 0.00 0.00 175.22 175.37