#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5i n ALA 2 N 0.00 -2.08 -1.00 0.00 0.00 -1.26 -5.16 120.51 111.02 1j5i n ALA 2 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.62 1j5i n ALA 2 Cb 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.24 1j5i n ALA 2 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1j5i n PRO 3 N 0.34 1.86 0.00 0.00 -0.04 -1.26 -4.91 135.00 130.99 1j5i n PRO 3 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1j5i n PRO 3 Cb 0.74 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.20 1j5i n PRO 3 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1j5i n THR 4 N -0.13 0.00 -2.62 0.52 -2.24 -0.65 -4.66 114.28 104.51 1j5i n THR 4 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1j5i n THR 4 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1j5i n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j5i s ALA 5 N -1.63 3.41 0.02 6.98 0.00 -1.23 -2.82 121.76 126.49 1j5i s ALA 5 Ca 0.00 0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.46 1j5i s ALA 5 Cb 0.00 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 1j5i s ALA 5 CO 0.00 -0.61 -0.08 0.95 0.00 0.00 0.00 175.76 176.02 1j5i s THR 6 N 1.95 0.61 -0.14 0.00 -4.23 -0.24 -4.57 115.64 109.03 1j5i s THR 6 Ca 0.51 -0.63 -0.26 0.00 -1.18 0.00 0.00 61.69 60.14 1j5i s THR 6 Cb -0.21 -0.57 -0.02 0.00 1.34 0.00 0.00 72.50 73.04 1j5i s THR 6 CO 0.20 -0.03 0.84 -0.69 -0.54 0.00 0.00 174.62 174.40 1j5i s VAL 7 N -0.62 4.89 0.00 2.29 1.01 -1.26 -1.81 120.40 124.90 1j5i s VAL 7 Ca -0.01 1.68 -0.01 0.00 0.00 0.00 0.00 61.98 63.64 1j5i s VAL 7 Cb -0.06 -4.15 -0.00 0.00 0.00 0.00 0.00 36.38 32.17 1j5i s VAL 7 CO 0.00 0.07 0.46 0.41 0.00 0.00 0.00 175.10 176.04 1j5i n THR 8 N 4.52 -0.01 -0.06 3.92 -1.04 -0.57 -4.40 114.28 116.64 1j5i n THR 8 Ca 0.04 0.69 0.00 0.00 -2.04 0.00 0.00 64.05 62.74 1j5i n THR 8 Cb 0.49 -0.92 0.00 0.00 -1.82 0.00 0.00 70.33 68.09 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 -2.53 0.88 0.00 -2.82 -0.04 -1.26 -5.05 135.00 124.17 1j5i n PRO 9 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1j5i n PRO 9 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1j5i n PRO 9 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j5i n SER 10 N -0.25 0.00 -4.62 3.54 2.88 -1.26 -5.01 113.62 108.90 1j5i n SER 10 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1j5i n SER 10 Cb 0.00 0.19 -0.09 0.00 -0.75 0.00 0.00 64.21 63.56 1j5i n SER 10 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1j5i s SER 11 N -2.13 4.64 0.00 -3.46 0.15 -1.26 -1.63 113.70 110.00 1j5i s SER 11 Ca 0.00 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.32 1j5i s SER 11 Cb 0.00 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 63.34 1j5i s SER 11 CO 0.00 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.21 1j5i n GLY 12 N 0.50 1.04 3.89 9.45 0.00 0.41 -4.96 105.19 115.52 1j5i n GLY 12 Ca -0.12 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 1j5i n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j5i s LEU 13 N -0.35 4.03 0.20 0.99 1.43 -0.84 -5.01 118.68 119.13 1j5i s LEU 13 Ca 0.00 0.89 0.11 0.00 -1.03 0.00 0.00 54.13 54.10 1j5i s LEU 13 Cb 0.00 -3.71 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 1j5i s LEU 13 CO 0.00 -0.22 -0.23 -0.55 0.23 0.00 0.00 176.35 175.58 1j5i s SER 14 N -2.93 3.32 -0.99 2.29 0.15 -1.26 -4.71 113.70 109.58 1j5i s SER 14 Ca 0.47 -0.88 -0.25 0.00 0.70 0.00 0.00 55.95 56.00 1j5i s SER 14 Cb -0.11 -0.24 -0.22 0.00 -1.71 0.00 0.00 66.02 63.74 1j5i s SER 14 CO 0.28 0.09 2.01 -0.67 1.20 0.00 0.00 173.24 176.15 1j5i n ASP 15 N 0.20 1.01 0.00 5.45 2.03 -1.26 -0.51 116.55 123.48 1j5i n ASP 15 Ca -0.12 -2.39 0.00 0.00 0.52 0.00 0.00 54.79 52.80 1j5i n ASP 15 Cb 0.56 -1.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.33 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j5i n GLY 16 N 5.98 0.91 3.53 0.27 0.00 0.79 -4.73 105.19 111.94 1j5i n GLY 16 Ca 0.37 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 1j5i n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5i s THR 17 N -1.56 4.66 -0.09 2.61 2.01 0.34 -4.71 115.64 118.90 1j5i s THR 17 Ca 0.00 0.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.98 1j5i s THR 17 Cb 0.00 -4.33 -0.03 0.00 0.01 0.00 0.00 72.50 68.15 1j5i s THR 17 CO 0.00 -0.76 1.31 -0.69 -0.69 0.00 0.00 174.62 173.78 1j5i s VAL 18 N 3.25 4.10 0.06 3.82 1.01 -1.26 0.14 120.40 131.51 1j5i s VAL 18 Ca 0.27 1.39 -0.01 0.00 0.00 0.00 0.00 61.98 63.63 1j5i s VAL 18 Cb -0.13 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1j5i s VAL 18 CO 0.21 -0.06 -0.02 0.68 0.00 0.00 0.00 175.10 175.91 1j5i s VAL 19 N 2.92 0.21 -0.22 2.92 -7.23 -0.13 -4.94 120.40 113.94 1j5i s VAL 19 Ca 0.59 -1.79 -0.14 0.00 -1.81 0.00 0.00 61.98 58.82 1j5i s VAL 19 Cb -0.26 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 1j5i s VAL 19 CO 0.21 -0.96 0.34 -0.54 -0.31 0.00 0.00 175.10 173.83 1j5i s LYS 20 N -3.92 4.13 -0.55 4.82 1.02 -1.26 -1.50 119.74 122.48 1j5i s LYS 20 Ca 0.08 0.07 -0.17 0.00 0.02 0.00 0.00 55.97 55.97 1j5i s LYS 20 Cb 0.08 -3.55 0.12 0.00 -0.52 0.00 0.00 37.83 33.96 1j5i s LYS 20 CO -0.09 -0.04 0.53 0.08 -0.92 0.00 0.00 175.35 174.91 1j5i s VAL 21 N 1.33 5.14 -0.30 3.17 1.01 0.52 -1.51 120.40 129.76 1j5i s VAL 21 Ca 0.16 -1.38 -0.21 0.00 0.00 0.00 0.00 61.98 60.55 1j5i s VAL 21 Cb -0.15 -4.36 -0.01 0.00 0.00 0.00 0.00 36.38 31.87 1j5i s VAL 21 CO 0.07 -0.90 0.67 0.00 0.00 0.00 0.00 175.10 174.94 1j5i s ALA 22 N 1.81 3.55 -0.10 5.51 0.00 -0.75 -0.33 121.76 131.45 1j5i s ALA 22 Ca 0.05 -0.55 -0.00 0.00 0.00 0.00 0.00 51.96 51.46 1j5i s ALA 22 Cb -0.29 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1j5i s ALA 22 CO 0.04 -1.06 -0.08 0.20 0.00 0.00 0.00 175.76 174.86 1j5i s GLY 23 N 1.60 1.66 -0.04 0.00 0.00 0.16 -1.08 107.32 109.62 1j5i s GLY 23 Ca 0.27 -0.88 -0.01 0.00 0.00 0.00 0.00 44.72 44.10 1j5i s GLY 23 CO 0.11 -0.46 0.04 0.00 0.00 0.00 0.00 173.10 172.80 1j5i s ALA 24 N -0.33 0.32 -1.72 3.20 0.00 -1.13 0.08 121.76 122.18 1j5i s ALA 24 Ca 0.04 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.14 1j5i s ALA 24 Cb -0.13 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.43 1j5i s ALA 24 CO 0.02 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1j5i n GLY 25 N 4.99 1.30 0.00 0.00 0.00 0.51 -1.63 105.19 110.36 1j5i n GLY 25 Ca -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.01 0.00 0.27 0.99 7.94 -0.55 -4.41 117.00 119.23 1j5i n LEU 26 Ca -0.17 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 54.84 1j5i n LEU 26 Cb 0.57 0.00 0.49 0.00 0.53 0.00 0.00 43.42 45.02 1j5i n LEU 26 CO 0.25 0.00 1.10 1.56 -1.11 0.00 0.00 177.39 179.19 1j5i h GLN 27 N 0.00 0.00 0.00 1.96 7.50 -1.92 -3.43 115.11 119.22 1j5i h GLN 27 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1j5i h GLN 27 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 1j5i h GLN 27 CO 0.00 0.00 0.00 0.00 -1.50 0.00 0.00 178.83 177.33 1j5i n ALA 28 N -1.81 0.00 0.00 3.87 0.00 -1.26 -1.63 120.51 119.67 1j5i n ALA 28 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1j5i n ALA 28 Cb 0.70 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 -1.72 1.03 0.00 0.00 0.00 -1.12 -3.49 105.19 99.89 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 -0.59 0.00 -3.86 2.61 -1.04 -0.65 -4.54 114.28 106.21 1j5i n THR 30 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 1j5i n THR 30 Cb 0.00 -1.69 -0.17 0.00 -1.82 0.00 0.00 70.33 66.65 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 -3.39 1.36 0.29 2.41 0.00 -1.26 -1.75 121.76 119.42 1j5i s ALA 31 Ca 0.00 -0.74 0.08 0.00 0.00 0.00 0.00 51.96 51.30 1j5i s ALA 31 Cb 0.00 -1.09 -0.06 0.00 0.00 0.00 0.00 23.12 21.98 1j5i s ALA 31 CO 0.00 -0.78 -0.09 0.71 0.00 0.00 0.00 175.76 175.60 1j5i s TYR 32 N 1.69 2.11 -0.28 0.00 1.51 0.16 -4.40 117.35 118.13 1j5i s TYR 32 Ca 0.01 -0.59 -0.20 0.00 -1.01 0.00 0.00 57.07 55.28 1j5i s TYR 32 Cb -0.15 -1.15 -0.01 0.00 -0.11 0.00 0.00 41.96 40.53 1j5i s TYR 32 CO -0.07 0.43 0.61 0.34 -1.11 0.00 0.00 175.55 175.75 1j5i s ASP 33 N -3.49 6.51 0.08 2.29 2.15 0.24 -0.53 116.67 123.94 1j5i s ASP 33 Ca 0.30 0.53 -0.29 0.00 0.43 0.00 0.00 52.55 53.52 1j5i s ASP 33 Cb 0.02 -2.33 -0.05 0.00 -0.30 0.00 0.00 42.92 40.26 1j5i s ASP 33 CO 0.13 -0.42 0.94 -0.69 -0.17 0.00 0.00 175.17 174.97 1j5i s VAL 34 N 2.53 4.59 0.00 1.11 1.01 0.82 -0.12 120.40 130.33 1j5i s VAL 34 Ca 0.25 2.01 0.00 0.00 0.00 0.00 0.00 61.98 64.24 1j5i s VAL 34 Cb -0.15 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.93 1j5i s VAL 34 CO 0.10 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1j5i n GLY 35 N 2.37 1.31 3.40 4.51 0.00 0.18 -0.05 105.19 116.92 1j5i n GLY 35 Ca 0.02 -0.48 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 1j5i n GLY 35 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1j5i s GLN 36 N -2.00 3.07 0.14 1.61 -2.07 -1.26 -1.69 119.66 117.46 1j5i s GLN 36 Ca 0.00 -1.15 0.05 0.00 -1.82 0.00 0.00 55.36 52.43 1j5i s GLN 36 Cb 0.00 -4.25 -0.04 0.00 -1.09 0.00 0.00 33.01 27.63 1j5i s GLN 36 CO 0.00 -1.64 0.12 0.00 -1.32 0.00 0.00 175.29 172.45 1j5i n ALA 38 N -0.13 0.00 -2.50 0.00 0.00 -0.16 -1.37 120.51 116.35 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 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 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 2.82 -0.25 0.00 1.48 -1.26 0.31 118.94 120.05 1j5i s TRP 39 Ca 0.00 0.94 -0.17 0.00 -1.06 0.00 0.00 56.10 55.80 1j5i s TRP 39 Cb 0.00 -3.92 -0.15 0.00 -1.16 0.00 0.00 33.47 28.24 1j5i s TRP 39 CO 0.00 -1.40 -0.10 1.55 -4.06 0.00 0.00 176.95 172.95 1j5i n VAL 40 N 6.22 1.53 -0.15 -0.66 3.14 -0.52 -4.79 118.33 123.09 1j5i n VAL 40 Ca 0.14 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 1j5i n VAL 40 Cb 0.47 -1.96 0.00 0.00 -1.06 0.00 0.00 33.84 31.29 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 -4.34 0.00 -4.53 6.55 -0.08 -1.21 -4.91 116.55 108.04 1j5i n ASP 41 Ca -0.44 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.41 1j5i n ASP 41 Cb 0.79 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.24 1j5i n ASP 41 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1j5i s THR 42 N 0.18 4.36 -0.18 5.18 2.01 -1.26 -3.79 115.64 122.13 1j5i s THR 42 Ca 0.00 -1.69 0.00 0.00 0.31 0.00 0.00 61.69 60.31 1j5i s THR 42 Cb 0.00 -5.03 0.00 0.00 0.01 0.00 0.00 72.50 67.48 1j5i s THR 42 CO 0.00 -1.83 0.00 0.61 -0.69 0.00 0.00 174.62 172.71 1j5i n GLY 43 N 5.56 0.52 3.41 4.40 0.00 -1.26 -5.01 105.19 112.81 1j5i n GLY 43 Ca 0.37 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.05 4.53 -0.46 1.61 1.01 -1.25 -5.04 120.40 118.76 1j5i s VAL 44 Ca 0.00 -0.61 -0.28 0.00 0.00 0.00 0.00 61.98 61.09 1j5i s VAL 44 Cb 0.00 -3.40 -0.00 0.00 0.00 0.00 0.00 36.38 32.98 1j5i s VAL 44 CO 0.00 -0.05 1.61 -0.22 0.00 0.00 0.00 175.10 176.44 1j5i s LEU 45 N 1.58 3.47 0.05 3.92 2.96 -1.26 -1.44 118.68 127.96 1j5i s LEU 45 Ca 0.03 0.76 0.08 0.00 -0.22 0.00 0.00 54.13 54.79 1j5i s LEU 45 Cb -0.18 -3.25 -0.03 0.00 0.50 0.00 0.00 46.19 43.23 1j5i s LEU 45 CO 0.06 -1.74 -0.22 0.00 -1.32 0.00 0.00 176.35 173.13 1j5i s ALA 46 N 6.65 2.45 0.18 5.97 0.00 0.15 -0.84 121.76 136.31 1j5i s ALA 46 Ca 0.66 -1.24 0.06 0.00 0.00 0.00 0.00 51.96 51.44 1j5i s ALA 46 Cb -0.15 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 1j5i s ALA 46 CO 0.29 0.56 0.09 0.00 0.00 0.00 0.00 175.76 176.69 1j5i s ASN 48 N -3.17 5.44 0.34 0.00 0.02 -1.08 -0.11 114.94 116.39 1j5i s ASN 48 Ca 0.30 1.23 0.26 0.00 -1.02 0.00 0.00 52.86 53.63 1j5i s ASN 48 Cb -0.09 -2.07 0.88 0.00 0.02 0.00 0.00 41.25 39.99 1j5i s ASN 48 CO 0.22 -1.36 1.77 1.55 0.02 0.00 0.00 177.10 179.30 1j5i h PRO 49 N -0.67 0.00 -0.45 -0.60 0.13 -1.81 -2.60 132.00 126.00 1j5i h PRO 49 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1j5i h PRO 49 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1j5i h PRO 49 CO 0.62 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.39 1j5i n ALA 50 N -1.91 3.08 0.96 -0.56 0.00 -1.26 -4.32 120.51 116.50 1j5i n ALA 50 Ca 0.03 -1.84 0.04 0.00 0.00 0.00 0.00 53.44 51.67 1j5i n ALA 50 Cb 0.37 -0.84 0.13 0.00 0.00 0.00 0.00 19.45 19.11 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 0.37 1.73 -4.25 0.00 2.03 -0.98 -4.63 116.55 110.82 1j5i n ASP 51 Ca 0.23 -2.05 -0.43 0.00 0.52 0.00 0.00 54.79 53.05 1j5i n ASP 51 Cb 0.88 -0.25 -0.05 0.00 -0.72 0.00 0.00 41.12 40.99 1j5i n ASP 51 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1j5i s PHE 52 N -1.62 3.62 -0.43 -0.67 0.08 -1.19 -2.91 117.98 114.86 1j5i s PHE 52 Ca 0.20 -2.17 0.05 0.00 0.12 0.00 0.00 56.93 55.12 1j5i s PHE 52 Cb 0.11 -3.62 0.17 0.00 -0.57 0.00 0.00 43.02 39.11 1j5i s PHE 52 CO 0.12 -0.95 0.42 0.45 -0.10 0.00 0.00 175.22 175.16 1j5i s SER 53 N 1.81 0.84 -0.20 1.36 0.15 0.92 -4.94 113.70 113.64 1j5i s SER 53 Ca 0.16 -2.77 -0.34 0.00 0.70 0.00 0.00 55.95 53.71 1j5i s SER 53 Cb -0.15 0.06 -0.11 0.00 -1.71 0.00 0.00 66.02 64.11 1j5i s SER 53 CO -0.06 -0.15 2.01 -0.24 1.20 0.00 0.00 173.24 175.99 1j5i n SER 54 N 2.90 2.97 -4.19 5.45 2.88 -1.26 -0.13 113.62 122.25 1j5i n SER 54 Ca 0.27 0.72 -0.11 0.00 -1.33 0.00 0.00 58.87 58.42 1j5i n SER 54 Cb 0.49 -1.35 -0.10 0.00 -0.75 0.00 0.00 64.21 62.51 1j5i n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1j5i s VAL 55 N 5.55 0.58 0.08 2.46 0.11 0.31 -4.87 120.40 124.62 1j5i s VAL 55 Ca 0.99 -1.94 0.04 0.00 -2.93 0.00 0.00 61.98 58.14 1j5i s VAL 55 Cb -0.72 -1.87 -0.03 0.00 -1.53 0.00 0.00 36.38 32.23 1j5i s VAL 55 CO 0.50 -0.70 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.57 1j5i s THR 56 N -3.71 0.95 0.19 5.04 2.01 -1.26 -0.67 115.64 118.20 1j5i s THR 56 Ca 0.17 -1.39 0.06 0.00 0.31 0.00 0.00 61.69 60.85 1j5i s THR 56 Cb 0.06 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 1j5i s THR 56 CO -0.01 -0.37 0.10 0.00 -0.69 0.00 0.00 174.62 173.64 1j5i s ALA 57 N -1.71 3.43 0.74 7.40 0.00 -0.72 -4.66 121.76 126.25 1j5i s ALA 57 Ca -0.01 -1.33 -0.12 0.00 0.00 0.00 0.00 51.96 50.50 1j5i s ALA 57 Cb -0.08 -1.20 0.04 0.00 0.00 0.00 0.00 23.12 21.89 1j5i s ALA 57 CO 0.01 0.43 1.11 -0.51 0.00 0.00 0.00 175.76 176.81 1j5i s ASP 58 N -3.24 4.54 0.56 0.00 1.01 0.14 -3.94 116.67 115.74 1j5i s ASP 58 Ca 0.30 1.96 0.48 0.00 0.71 0.00 0.00 52.55 56.01 1j5i s ASP 58 Cb -0.09 -2.54 1.67 0.00 1.01 0.00 0.00 42.92 42.97 1j5i s ASP 58 CO 0.22 -2.01 1.56 0.00 0.21 0.00 0.00 175.17 175.14 1j5i h ALA 59 N -0.72 3.79 -0.44 5.23 0.00 -1.83 2.79 119.26 128.09 1j5i h ALA 59 Ca -0.45 -0.07 -0.27 0.00 0.00 0.00 0.00 54.91 54.12 1j5i h ALA 59 Cb 1.25 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 19.05 1j5i h ALA 59 CO 0.51 -2.37 0.35 -1.71 0.00 0.00 0.00 179.25 176.03 1j5i n ASN 60 N -3.88 5.36 -4.08 0.00 5.15 -1.26 -4.25 115.26 112.30 1j5i n ASN 60 Ca 0.42 -2.91 -0.33 0.00 -0.60 0.00 0.00 54.58 51.16 1j5i n ASN 60 Cb 1.97 -0.92 -0.06 0.00 -0.53 0.00 0.00 39.78 40.24 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 0.22 -0.43 3.31 8.20 0.00 0.93 -3.47 105.19 113.95 1j5i n GLY 61 Ca 0.27 0.06 -0.46 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.98 6.20 -0.99 1.61 0.01 -0.96 0.19 113.70 116.78 1j5i s SER 62 Ca 0.65 -1.80 -0.04 0.00 1.31 0.00 0.00 55.95 56.07 1j5i s SER 62 Cb -0.38 -2.21 0.26 0.00 0.21 0.00 0.00 66.02 63.90 1j5i s SER 62 CO 0.80 -0.86 1.03 0.00 0.41 0.00 0.00 173.24 174.62 1j5i n ALA 63 N 5.26 4.24 -2.48 1.44 0.00 0.11 0.24 120.51 129.32 1j5i n ALA 63 Ca -0.13 -4.68 -0.43 0.00 0.00 0.00 0.00 53.44 48.20 1j5i n ALA 63 Cb 0.40 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1j5i n ALA 63 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1j5i n SER 64 N 2.13 5.14 -4.70 0.00 7.64 -1.26 0.41 113.62 122.98 1j5i n SER 64 Ca 0.24 -3.09 -0.24 0.00 1.01 0.00 0.00 58.87 56.78 1j5i n SER 64 Cb 0.37 -1.49 -0.07 0.00 -1.01 0.00 0.00 64.21 62.01 1j5i n SER 64 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1j5i s THR 65 N 0.55 3.86 0.05 0.44 -1.32 0.55 -4.91 115.64 114.87 1j5i s THR 65 Ca 0.40 -1.53 0.08 0.00 -1.21 0.00 0.00 61.69 59.43 1j5i s THR 65 Cb 0.07 -3.01 -0.03 0.00 -1.51 0.00 0.00 72.50 68.01 1j5i s THR 65 CO 0.01 -0.24 -0.21 -0.94 -2.21 0.00 0.00 174.62 171.02 1j5i s SER 66 N -3.36 3.57 0.30 8.08 1.04 -1.26 0.19 113.70 122.27 1j5i s SER 66 Ca 0.30 -0.50 -0.05 0.00 0.48 0.00 0.00 55.95 56.18 1j5i s SER 66 Cb -0.08 -0.48 -0.00 0.00 0.10 0.00 0.00 66.02 65.55 1j5i s SER 66 CO 0.21 0.25 0.45 -0.22 0.98 0.00 0.00 173.24 174.91 1j5i s LEU 67 N -1.42 0.81 -0.17 2.42 1.98 -0.56 -4.89 118.68 116.85 1j5i s LEU 67 Ca 0.14 -1.32 -0.06 0.00 -2.89 0.00 0.00 54.13 50.00 1j5i s LEU 67 Cb -0.10 1.48 -0.04 0.00 0.66 0.00 0.00 46.19 48.19 1j5i s LEU 67 CO 0.04 -1.22 0.03 -0.89 -1.89 0.00 0.00 176.35 172.42 1j5i s THR 68 N -3.40 4.54 -0.87 3.68 2.01 -1.26 -0.96 115.64 119.38 1j5i s THR 68 Ca 0.29 -0.12 -0.20 0.00 0.31 0.00 0.00 61.69 61.96 1j5i s THR 68 Cb 0.00 -3.03 0.10 0.00 0.01 0.00 0.00 72.50 69.58 1j5i s THR 68 CO 0.16 0.47 1.13 -0.69 -0.69 0.00 0.00 174.62 175.00 1j5i s VAL 69 N 0.36 4.49 -1.29 3.82 1.01 0.38 -4.78 120.40 124.38 1j5i s VAL 69 Ca 0.01 -1.11 -0.12 0.00 0.00 0.00 0.00 61.98 60.76 1j5i s VAL 69 Cb -0.13 -4.80 0.14 0.00 0.00 0.00 0.00 36.38 31.59 1j5i s VAL 69 CO 0.01 -1.56 1.79 0.54 0.00 0.00 0.00 175.10 175.88 1j5i n ARG 70 N 7.22 3.38 -0.35 2.72 5.12 -1.26 -0.15 116.66 133.34 1j5i n ARG 70 Ca 0.17 -3.45 0.34 0.00 -1.93 0.00 0.00 57.85 52.98 1j5i n ARG 70 Cb 0.48 -3.08 0.61 0.00 -1.16 0.00 0.00 32.46 29.31 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 6.40 0.00 -5.47 5.56 2.43 -1.85 -3.35 114.38 118.11 1j5i h ARG 71 Ca 0.41 -0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.94 1j5i h ARG 71 Cb 0.73 -0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.13 1j5i h ARG 71 CO 1.54 0.00 -0.57 0.45 -1.51 0.00 0.00 179.97 179.88 1j5i s SER 72 N -4.47 5.61 0.00 -3.80 0.15 -1.26 -0.25 113.70 109.68 1j5i s SER 72 Ca -0.09 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.70 1j5i s SER 72 Cb 0.33 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.78 1j5i s SER 72 CO 0.79 0.25 0.00 0.49 1.20 0.00 0.00 173.24 175.97 1j5i n PHE 73 N 3.03 0.00 -2.67 3.44 3.01 -0.67 -4.86 117.46 118.75 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 0.53 0.00 -0.03 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 0.00 3.50 0.00 -1.08 2.12 -1.26 0.78 118.70 122.77 1j5i s GLU 74 Ca 0.00 0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.49 1j5i s GLU 74 Cb 0.00 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 30.39 1j5i s GLU 74 CO 0.00 -1.56 0.00 0.41 -0.54 0.00 0.00 175.26 173.57 1j5i n GLY 75 N 5.04 1.58 3.21 -1.50 0.00 1.50 -4.35 105.19 110.66 1j5i n GLY 75 Ca 0.07 -1.65 -0.19 0.00 0.00 0.00 0.00 46.02 44.26 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 3.09 1.34 0.74 1.61 0.40 0.85 0.20 117.98 126.21 1j5i s PHE 76 Ca 0.00 -0.49 -0.02 0.00 -0.60 0.00 0.00 56.93 55.81 1j5i s PHE 76 Cb 0.00 -0.73 0.13 0.00 0.51 0.00 0.00 43.02 42.93 1j5i s PHE 76 CO 0.00 0.10 1.03 -0.51 0.70 0.00 0.00 175.22 176.54 1j5i s LEU 77 N -2.03 2.95 0.48 -0.37 1.43 -0.16 0.43 118.68 121.41 1j5i s LEU 77 Ca 0.03 -0.27 0.20 0.00 -1.03 0.00 0.00 54.13 53.05 1j5i s LEU 77 Cb -0.08 -2.05 1.19 0.00 0.03 0.00 0.00 46.19 45.27 1j5i s LEU 77 CO 0.03 -1.94 2.02 0.15 0.23 0.00 0.00 176.35 176.84 1j5i h PHE 78 N -0.64 0.00 0.30 0.29 3.04 -1.30 -3.10 116.94 115.54 1j5i h PHE 78 Ca -0.37 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.56 1j5i h PHE 78 Cb 1.27 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.78 1j5i h PHE 78 CO -0.28 0.16 -0.14 0.22 -2.02 0.00 0.00 178.31 176.25 1j5i h ASP 79 N 0.00 -0.34 0.00 0.41 1.82 -1.93 -3.49 116.42 112.89 1j5i h ASP 79 Ca -0.00 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1j5i h ASP 79 Cb 0.33 0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.43 1j5i h ASP 79 CO 0.02 0.07 0.00 0.61 -1.61 0.00 0.00 179.24 178.33 1j5i n GLY 80 N 0.71 0.28 3.15 -0.78 0.00 -1.17 -5.15 105.19 102.23 1j5i n GLY 80 Ca -0.05 0.00 -0.36 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 0.18 -3.20 2.61 -1.04 -1.26 -4.46 114.28 107.10 1j5i n THR 81 Ca 0.00 -0.45 -0.44 0.00 -2.04 0.00 0.00 64.05 61.12 1j5i n THR 81 Cb 0.00 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 1j5i n THR 81 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1j5i n ARG 82 N 1.44 3.74 0.00 -2.82 1.74 -1.26 -0.99 116.66 118.51 1j5i n ARG 82 Ca 0.02 -4.40 0.00 0.00 -0.77 0.00 0.00 57.85 52.70 1j5i n ARG 82 Cb 0.53 -2.60 0.00 0.00 -1.02 0.00 0.00 32.46 29.38 1j5i n ARG 82 CO 0.00 0.00 0.00 1.87 -1.52 0.00 0.00 177.63 177.98 1j5i n TRP 83 N 2.67 0.00 -1.82 -1.55 -0.00 0.53 -4.66 117.44 112.61 1j5i n TRP 83 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.76 1j5i n TRP 83 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.69 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 3.76 -3.87 0.00 5.87 0.00 -1.11 0.44 105.19 110.28 1j5i n GLY 84 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.45 0.00 0.00 2.61 -1.04 -1.26 -2.03 114.28 113.01 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 -3.18 12.58 3.14 0.23 -4.70 118.33 126.41 1j5i n VAL 86 Ca 0.00 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1j5i n VAL 86 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.77 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 -1.40 -0.73 6.55 2.15 -1.25 -1.67 116.67 120.32 1j5i s ASP 87 Ca 0.00 -0.91 -0.08 0.00 0.43 0.00 0.00 52.55 51.99 1j5i s ASP 87 Cb 0.00 1.89 -0.07 0.00 -0.30 0.00 0.00 42.92 44.44 1j5i s ASP 87 CO 0.00 -0.16 1.90 0.00 -0.17 0.00 0.00 175.17 176.73 1j5i n THR 89 N 4.72 0.00 0.00 0.00 5.66 -1.26 -4.50 114.28 118.89 1j5i n THR 89 Ca 0.39 -0.16 0.00 0.00 -3.05 0.00 0.00 64.05 61.23 1j5i n THR 89 Cb 0.17 0.83 0.00 0.00 -1.55 0.00 0.00 70.33 69.78 1j5i n THR 89 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1j5i n THR 90 N -1.53 0.00 -2.47 1.09 -1.04 -1.26 -4.86 114.28 104.21 1j5i n THR 90 Ca 0.02 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.62 1j5i n THR 90 Cb 0.30 -0.21 -0.04 0.00 -1.82 0.00 0.00 70.33 68.56 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 -1.49 3.40 -0.47 2.41 0.00 -1.26 -4.99 121.76 119.37 1j5i s ALA 91 Ca 0.00 0.89 -0.22 0.00 0.00 0.00 0.00 51.96 52.62 1j5i s ALA 91 Cb 0.00 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.81 1j5i s ALA 91 CO 0.00 -0.19 0.75 0.00 0.00 0.00 0.00 175.76 176.31 1j5i s ALA 92 N -0.84 3.30 -0.16 0.00 0.00 -1.26 -4.70 121.76 118.10 1j5i s ALA 92 Ca 0.46 -1.18 -0.26 0.00 0.00 0.00 0.00 51.96 50.98 1j5i s ALA 92 Cb -0.31 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.35 1j5i s ALA 92 CO 0.39 -1.96 0.88 0.00 0.00 0.00 0.00 175.76 175.07 1j5i s GLN 94 N 2.19 3.42 -0.42 0.00 -0.21 -0.47 -0.83 119.66 123.33 1j5i s GLN 94 Ca 0.40 -0.19 -0.24 0.00 0.02 0.00 0.00 55.36 55.35 1j5i s GLN 94 Cb -0.17 -3.91 0.02 0.00 1.00 0.00 0.00 33.01 29.96 1j5i s GLN 94 CO 0.13 -0.96 0.82 0.08 -2.12 0.00 0.00 175.29 173.25 1j5i s VAL 95 N 2.89 4.63 0.27 1.09 1.01 0.68 -0.16 120.40 130.80 1j5i s VAL 95 Ca 0.25 0.68 -0.21 0.00 0.00 0.00 0.00 61.98 62.69 1j5i s VAL 95 Cb -0.14 -4.31 0.03 0.00 0.00 0.00 0.00 36.38 31.96 1j5i s VAL 95 CO 0.19 -0.65 0.77 -0.83 0.00 0.00 0.00 175.10 174.58 1j5i s GLY 96 N 2.06 -0.08 -0.28 4.51 0.00 -0.68 -1.39 107.32 111.46 1j5i s GLY 96 Ca 0.32 -0.27 -0.08 0.00 0.00 0.00 0.00 44.72 44.69 1j5i s GLY 96 CO 0.22 -0.06 0.10 0.48 0.00 0.00 0.00 173.10 173.84 1j5i s LEU 97 N -2.94 3.75 0.04 0.66 2.34 -1.26 -0.64 118.68 120.63 1j5i s LEU 97 Ca 0.12 -0.41 0.01 0.00 0.06 0.00 0.00 54.13 53.91 1j5i s LEU 97 Cb -0.05 -1.94 -0.04 0.00 -0.56 0.00 0.00 46.19 43.60 1j5i s LEU 97 CO 0.07 -0.12 0.09 -0.94 -1.06 0.00 0.00 176.35 174.38 1j5i s SER 98 N 1.59 5.65 1.01 1.48 1.04 0.83 -4.71 113.70 120.59 1j5i s SER 98 Ca 0.05 0.08 -0.19 0.00 0.48 0.00 0.00 55.95 56.37 1j5i s SER 98 Cb -0.16 -1.58 -0.08 0.00 0.10 0.00 0.00 66.02 64.29 1j5i s SER 98 CO 0.04 0.22 -0.60 0.47 0.98 0.00 0.00 173.24 174.35 1j5i n ASP 99 N 0.78 -3.90 -0.05 7.02 9.92 -1.09 0.83 116.55 130.06 1j5i n ASP 99 Ca -0.10 0.13 0.11 0.00 -0.53 0.00 0.00 54.79 54.39 1j5i n ASP 99 Cb 0.52 -0.83 0.61 0.00 -0.64 0.00 0.00 41.12 40.78 1j5i n ASP 99 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1j5i n ALA 100 N -3.27 2.62 0.13 2.24 0.00 -1.26 -2.61 120.51 118.36 1j5i n ALA 100 Ca 0.00 -0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.39 1j5i n ALA 100 Cb 0.61 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.73 2.75 -0.86 0.00 0.00 -1.26 -4.99 120.51 115.42 1j5i n ALA 101 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1j5i n ALA 101 Cb 0.10 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 1.24 0.57 3.38 0.00 0.00 -1.07 -5.11 105.19 104.19 1j5i n GLY 102 Ca -0.01 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 1j5i n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j5i s ASN 103 N -2.03 -0.04 0.00 1.61 2.20 -1.26 -5.02 114.94 110.39 1j5i s ASN 103 Ca 0.00 -0.73 0.00 0.00 -0.94 0.00 0.00 52.86 51.19 1j5i s ASN 103 Cb 0.00 0.47 0.00 0.00 -2.00 0.00 0.00 41.25 39.72 1j5i s ASN 103 CO 0.00 -0.92 0.00 0.61 -2.94 0.00 0.00 177.10 173.85 1j5i n GLY 104 N -0.24 -0.29 2.14 0.45 0.00 -1.26 -2.68 105.19 103.32 1j5i n GLY 104 Ca -0.09 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 1j5i n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j5i n PRO 105 N 1.45 1.60 -3.21 1.61 -0.04 -1.26 -4.72 135.00 130.43 1j5i n PRO 105 Ca 0.00 -0.83 -0.39 0.00 -0.04 0.00 0.00 63.50 62.24 1j5i n PRO 105 Cb 0.00 -1.93 -0.06 0.00 -0.04 0.00 0.00 33.50 31.47 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 1.58 4.26 0.00 0.54 2.02 -1.26 -4.99 118.70 120.84 1j5i s GLU 106 Ca 0.51 0.52 0.00 0.00 0.02 0.00 0.00 54.97 56.02 1j5i s GLU 106 Cb 0.24 -3.52 0.00 0.00 0.10 0.00 0.00 34.13 30.94 1j5i s GLU 106 CO -0.00 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.61 1j5i n GLY 107 N 3.63 3.81 3.58 -1.39 0.00 -1.26 -3.78 105.19 109.78 1j5i n GLY 107 Ca -0.04 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 1j5i n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j5i s VAL 108 N -1.58 4.47 -1.09 1.61 0.11 -0.49 -4.55 120.40 118.88 1j5i s VAL 108 Ca 0.00 -0.15 -0.25 0.00 -2.93 0.00 0.00 61.98 58.65 1j5i s VAL 108 Cb 0.00 -3.00 -0.16 0.00 -1.53 0.00 0.00 36.38 31.69 1j5i s VAL 108 CO 0.00 0.46 2.06 0.00 -3.33 0.00 0.00 175.10 174.30 1j5i s ALA 109 N 0.45 1.03 -0.07 1.54 0.00 -1.25 -0.23 121.76 123.23 1j5i s ALA 109 Ca 0.01 -1.67 -0.03 0.00 0.00 0.00 0.00 51.96 50.27 1j5i s ALA 109 Cb -0.13 -4.68 -0.04 0.00 0.00 0.00 0.00 23.12 18.28 1j5i s ALA 109 CO 0.01 -6.12 0.05 -1.50 0.00 0.00 0.00 175.76 168.20 1j5i s ILE 110 N 14.30 4.65 0.00 0.00 1.10 -0.01 -4.70 121.20 136.53 1j5i s ILE 110 Ca 0.77 -0.19 0.00 0.00 -0.51 0.00 0.00 60.65 60.72 1j5i s ILE 110 Cb -0.04 -3.01 0.00 0.00 0.15 0.00 0.00 42.46 39.56 1j5i s ILE 110 CO 0.14 0.55 0.00 -1.54 -2.11 0.00 0.00 174.94 171.99 1j5i n SER 111 N 1.90 0.00 -0.63 4.50 3.41 -0.65 -4.25 113.62 117.91 1j5i n SER 111 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1j5i n SER 111 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1j5i n SER 111 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1j5i n PHE 112 N 0.00 0.00 1.50 7.33 3.72 -1.25 -1.98 117.46 126.77 1j5i n PHE 112 Ca 0.00 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.54 1j5i n PHE 112 Cb 0.00 0.00 0.52 0.00 -0.94 0.00 0.00 39.48 39.06 1j5i n PHE 112 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00