#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 0.00 -2.33 0.00 0.00 -1.26 -5.06 120.51 111.86 1j5i n ALA 2 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1j5i n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1j5i n ALA 2 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j5i s PRO 3 N 0.00 3.27 3.72 0.00 0.04 -1.26 -4.06 135.00 136.71 1j5i s PRO 3 Ca 0.00 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.62 1j5i s PRO 3 Cb 0.00 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.40 1j5i s PRO 3 CO 0.00 -1.97 0.00 0.25 0.04 0.00 0.00 177.00 175.32 1j5i n THR 4 N 6.95 0.00 -2.66 1.26 -2.24 -0.84 -4.36 114.28 112.39 1j5i n THR 4 Ca 0.14 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.49 1j5i n THR 4 Cb 0.49 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.90 3.42 0.02 6.98 0.00 -1.21 -2.52 121.76 126.55 1j5i s ALA 5 Ca 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 51.96 51.77 1j5i s ALA 5 Cb 0.00 -3.70 -0.02 0.00 0.00 0.00 0.00 23.12 19.40 1j5i s ALA 5 CO 0.00 -1.65 -0.03 0.95 0.00 0.00 0.00 175.76 175.03 1j5i s THR 6 N 3.78 0.11 0.02 0.00 -4.23 -0.52 -4.38 115.64 110.42 1j5i s THR 6 Ca 0.45 -0.93 -0.26 0.00 -1.18 0.00 0.00 61.69 59.77 1j5i s THR 6 Cb -0.11 -0.29 -0.05 0.00 1.34 0.00 0.00 72.50 73.39 1j5i s THR 6 CO 0.19 -0.51 0.81 -0.69 -0.54 0.00 0.00 174.62 173.88 1j5i s VAL 7 N -1.52 4.81 0.00 2.29 1.01 -1.26 -2.12 120.40 123.61 1j5i s VAL 7 Ca -0.15 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.53 1j5i s VAL 7 Cb -0.10 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1j5i s VAL 7 CO -0.01 0.30 0.43 0.41 0.00 0.00 0.00 175.10 176.23 1j5i n THR 8 N 3.22 0.00 0.00 3.92 -1.04 -0.46 -4.39 114.28 115.53 1j5i n THR 8 Ca -0.00 0.70 0.00 0.00 -2.04 0.00 0.00 64.05 62.70 1j5i n THR 8 Cb 0.50 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 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 -1.92 1.18 0.03 -2.82 -0.04 -1.26 -4.24 135.00 125.93 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 0.00 -0.23 -4.85 3.54 2.88 -1.26 -4.81 113.62 108.89 1j5i n SER 10 Ca 0.00 0.10 -0.22 0.00 -1.33 0.00 0.00 58.87 57.42 1j5i n SER 10 Cb 0.00 0.38 -0.04 0.00 -0.75 0.00 0.00 64.21 63.80 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 -3.15 5.58 0.00 -3.46 0.15 -1.26 -1.59 113.70 109.97 1j5i s SER 11 Ca 0.00 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.40 1j5i s SER 11 Cb 0.00 -1.39 0.00 0.00 -1.71 0.00 0.00 66.02 62.92 1j5i s SER 11 CO 0.00 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1j5i n GLY 12 N -1.23 0.60 3.84 9.45 0.00 -0.93 -4.85 105.19 112.06 1j5i n GLY 12 Ca -0.07 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 4.31 0.18 0.99 1.43 -0.57 -5.05 118.68 119.96 1j5i s LEU 13 Ca 0.00 1.17 0.02 0.00 -1.03 0.00 0.00 54.13 54.29 1j5i s LEU 13 Cb 0.00 -3.44 -0.05 0.00 0.03 0.00 0.00 46.19 42.73 1j5i s LEU 13 CO 0.00 0.05 0.01 -0.55 0.23 0.00 0.00 176.35 176.09 1j5i s SER 14 N -1.79 1.22 -0.83 2.29 0.15 -1.26 -4.80 113.70 108.68 1j5i s SER 14 Ca 0.41 -1.18 -0.26 0.00 0.70 0.00 0.00 55.95 55.62 1j5i s SER 14 Cb -0.15 0.12 -0.16 0.00 -1.71 0.00 0.00 66.02 64.12 1j5i s SER 14 CO 0.20 -0.58 2.37 -0.90 1.20 0.00 0.00 173.24 175.53 1j5i n ASP 15 N -0.26 1.69 0.00 5.45 3.85 -1.24 -0.61 116.55 125.44 1j5i n ASP 15 Ca -0.06 -1.63 0.00 0.00 -0.71 0.00 0.00 54.79 52.39 1j5i n ASP 15 Cb 0.63 -1.66 0.00 0.00 -1.35 0.00 0.00 41.12 38.74 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1j5i n GLY 16 N 6.70 0.92 3.50 6.12 0.00 -0.84 -4.85 105.19 116.73 1j5i n GLY 16 Ca 0.46 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.92 4.42 -0.11 2.61 2.01 0.22 -4.80 115.64 119.07 1j5i s THR 17 Ca 0.00 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 1j5i s THR 17 Cb 0.00 -4.55 -0.01 0.00 0.01 0.00 0.00 72.50 67.95 1j5i s THR 17 CO 0.00 -1.17 1.05 -0.69 -0.69 0.00 0.00 174.62 173.13 1j5i s VAL 18 N 3.85 4.66 0.25 3.82 1.01 -1.26 0.55 120.40 133.27 1j5i s VAL 18 Ca 0.27 1.94 -0.13 0.00 0.00 0.00 0.00 61.98 64.06 1j5i s VAL 18 Cb -0.14 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 1j5i s VAL 18 CO 0.16 -0.01 0.48 0.68 0.00 0.00 0.00 175.10 176.41 1j5i s VAL 19 N 2.17 0.00 -0.14 2.92 -7.23 -0.60 -4.98 120.40 112.54 1j5i s VAL 19 Ca 0.50 -1.40 -0.06 0.00 -1.81 0.00 0.00 61.98 59.20 1j5i s VAL 19 Cb -0.19 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1j5i s VAL 19 CO 0.18 -0.00 0.08 -1.59 -0.31 0.00 0.00 175.10 173.46 1j5i s LYS 20 N -4.02 3.62 -0.40 4.82 -2.85 -1.26 -1.20 119.74 118.44 1j5i s LYS 20 Ca 0.22 -0.27 -0.07 0.00 -1.00 0.00 0.00 55.97 54.86 1j5i s LYS 20 Cb -0.01 -3.15 0.09 0.00 -2.06 0.00 0.00 37.83 32.70 1j5i s LYS 20 CO 0.09 0.54 0.22 0.08 0.10 0.00 0.00 175.35 176.38 1j5i s VAL 21 N -0.37 3.83 -0.15 1.79 1.01 0.20 -1.35 120.40 125.37 1j5i s VAL 21 Ca 0.10 -1.59 -0.20 0.00 0.00 0.00 0.00 61.98 60.29 1j5i s VAL 21 Cb -0.12 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1j5i s VAL 21 CO 0.02 -0.52 0.59 0.00 0.00 0.00 0.00 175.10 175.19 1j5i s ALA 22 N 1.33 3.48 -0.76 5.51 0.00 -0.90 -0.69 121.76 129.73 1j5i s ALA 22 Ca 0.03 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.82 1j5i s ALA 22 Cb -0.23 -2.86 0.19 0.00 0.00 0.00 0.00 23.12 20.22 1j5i s ALA 22 CO -0.00 -0.29 0.59 0.20 0.00 0.00 0.00 175.76 176.26 1j5i s GLY 23 N 0.95 2.89 0.01 0.00 0.00 0.14 -1.44 107.32 109.87 1j5i s GLY 23 Ca 0.29 -3.70 -0.25 0.00 0.00 0.00 0.00 44.72 41.06 1j5i s GLY 23 CO 0.12 1.13 0.77 0.00 0.00 0.00 0.00 173.10 175.11 1j5i s ALA 24 N -1.09 3.34 -0.70 3.20 0.00 -1.05 0.31 121.76 125.77 1j5i s ALA 24 Ca 0.24 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1j5i s ALA 24 Cb -0.10 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1j5i s ALA 24 CO -0.11 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1j5i n GLY 25 N 2.64 0.77 0.00 0.00 0.00 0.44 -1.99 105.19 107.04 1j5i n GLY 25 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.76 0.00 -4.52 0.99 0.00 -0.27 -4.74 117.00 107.70 1j5i n LEU 26 Ca -0.07 0.00 -0.20 0.00 0.00 0.00 0.00 56.01 55.75 1j5i n LEU 26 Cb 0.41 0.00 -0.17 0.00 0.00 0.00 0.00 43.42 43.66 1j5i n LEU 26 CO 0.10 0.00 1.79 0.00 0.00 0.00 0.00 177.39 179.28 1j5i n GLN 27 N 0.00 0.21 -1.56 1.96 1.13 -1.26 -4.57 117.38 113.29 1j5i n GLN 27 Ca 0.00 -0.30 -0.13 0.00 -1.94 0.00 0.00 57.00 54.63 1j5i n GLN 27 Cb 0.00 -2.00 -0.07 0.00 0.11 0.00 0.00 30.24 28.27 1j5i n GLN 27 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j5i n ALA 28 N 10.47 0.34 -0.95 -1.58 0.00 -1.26 -1.56 120.51 125.96 1j5i n ALA 28 Ca 0.60 -1.41 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1j5i n ALA 28 Cb 0.24 -3.27 0.00 0.00 0.00 0.00 0.00 19.45 16.42 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 6.77 0.30 3.98 0.00 0.00 0.54 -4.82 105.19 111.97 1j5i n GLY 29 Ca 0.47 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.25 1j5i n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j5i s THR 30 N -1.70 2.14 -0.13 2.61 -4.23 -0.60 -4.81 115.64 108.91 1j5i s THR 30 Ca 0.00 -0.51 -0.04 0.00 -1.18 0.00 0.00 61.69 59.97 1j5i s THR 30 Cb 0.00 -2.63 0.06 0.00 1.34 0.00 0.00 72.50 71.27 1j5i s THR 30 CO 0.00 0.00 0.13 0.00 -0.54 0.00 0.00 174.62 174.21 1j5i s ALA 31 N -3.24 0.11 0.00 3.99 0.00 -1.26 -1.56 121.76 119.80 1j5i s ALA 31 Ca 0.67 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1j5i s ALA 31 Cb -0.05 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.10 1j5i s ALA 31 CO 0.45 -0.91 0.00 0.66 0.00 0.00 0.00 175.76 175.96 1j5i n TYR 32 N 5.30 -0.52 -3.70 0.00 4.02 0.16 -4.78 117.16 117.64 1j5i n TYR 32 Ca -0.05 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.45 1j5i n TYR 32 Cb 0.49 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.70 1j5i n TYR 32 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1j5i s ASP 33 N -0.93 5.43 0.24 7.72 2.15 -0.82 0.73 116.67 131.19 1j5i s ASP 33 Ca 0.00 -1.00 -0.30 0.00 0.43 0.00 0.00 52.55 51.68 1j5i s ASP 33 Cb 0.00 -1.93 -0.09 0.00 -0.30 0.00 0.00 42.92 40.61 1j5i s ASP 33 CO 0.00 -0.32 1.01 -0.69 -0.17 0.00 0.00 175.17 175.00 1j5i s VAL 34 N 1.48 3.89 0.00 1.11 1.01 -0.57 -0.43 120.40 126.89 1j5i s VAL 34 Ca 0.00 1.86 0.00 0.00 0.00 0.00 0.00 61.98 63.84 1j5i s VAL 34 Cb -0.19 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1j5i s VAL 34 CO 0.04 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1j5i n GLY 35 N 1.49 1.83 3.40 4.51 0.00 0.11 -0.89 105.19 115.63 1j5i n GLY 35 Ca -0.01 -0.74 -0.44 0.00 0.00 0.00 0.00 46.02 44.82 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 0.06 1.61 -2.07 -1.25 -1.06 119.66 118.01 1j5i s GLN 36 Ca 0.00 -1.17 0.03 0.00 -1.82 0.00 0.00 55.36 52.40 1j5i s GLN 36 Cb 0.00 -4.20 -0.04 0.00 -1.09 0.00 0.00 33.01 27.68 1j5i s GLN 36 CO 0.00 -1.39 0.06 0.00 -1.32 0.00 0.00 175.29 172.64 1j5i s ALA 38 N -1.31 -2.44 -0.28 0.00 0.00 -0.72 -1.44 121.76 115.57 1j5i s ALA 38 Ca 0.27 1.25 -0.29 0.00 0.00 0.00 0.00 51.96 53.19 1j5i s ALA 38 Cb -0.12 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1j5i s ALA 38 CO 0.19 -0.91 1.23 1.67 0.00 0.00 0.00 175.76 177.93 1j5i s TRP 39 N -2.00 2.85 -0.19 0.00 1.48 -1.26 0.66 118.94 120.48 1j5i s TRP 39 Ca 0.14 0.99 -0.03 0.00 -1.06 0.00 0.00 56.10 56.14 1j5i s TRP 39 Cb 0.05 -3.77 -0.11 0.00 -1.16 0.00 0.00 33.47 28.49 1j5i s TRP 39 CO -0.06 -1.44 -0.20 1.55 -4.06 0.00 0.00 176.95 172.74 1j5i n VAL 40 N 5.96 1.09 -0.62 -0.66 3.14 -0.62 -4.77 118.33 121.85 1j5i n VAL 40 Ca 0.14 -0.36 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 1j5i n VAL 40 Cb 0.46 -1.41 0.00 0.00 -1.06 0.00 0.00 33.84 31.84 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 -3.39 0.00 -4.58 6.55 -0.08 -1.20 -4.84 116.55 109.02 1j5i n ASP 41 Ca -0.36 -0.30 -0.21 0.00 -1.51 0.00 0.00 54.79 52.41 1j5i n ASP 41 Cb 0.83 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 44.20 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 0.03 3.28 -1.70 5.18 2.01 -1.26 -3.10 115.64 120.09 1j5i s THR 42 Ca 0.00 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.52 1j5i s THR 42 Cb 0.00 -4.27 0.00 0.00 0.01 0.00 0.00 72.50 68.24 1j5i s THR 42 CO 0.00 -0.52 0.00 0.61 -0.69 0.00 0.00 174.62 174.02 1j5i n GLY 43 N 6.00 1.15 3.52 4.40 0.00 -1.26 -4.96 105.19 114.04 1j5i n GLY 43 Ca 0.43 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.68 5.27 -0.53 1.61 1.01 -1.18 -4.98 120.40 118.92 1j5i s VAL 44 Ca 0.00 -0.28 -0.27 0.00 0.00 0.00 0.00 61.98 61.44 1j5i s VAL 44 Cb 0.00 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1j5i s VAL 44 CO 0.00 -0.05 2.01 -0.22 0.00 0.00 0.00 175.10 176.84 1j5i s LEU 45 N 1.72 3.35 -0.06 3.92 0.20 -1.26 -1.59 118.68 124.96 1j5i s LEU 45 Ca 0.06 0.70 0.02 0.00 0.69 0.00 0.00 54.13 55.60 1j5i s LEU 45 Cb -0.18 -2.68 -0.03 0.00 -0.43 0.00 0.00 46.19 42.88 1j5i s LEU 45 CO 0.10 -2.42 -0.11 0.00 -0.29 0.00 0.00 176.35 173.63 1j5i s ALA 46 N 9.63 2.79 0.21 5.97 0.00 0.21 0.83 121.76 141.41 1j5i s ALA 46 Ca 0.78 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.82 1j5i s ALA 46 Cb -0.16 -1.08 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 1j5i s ALA 46 CO 0.24 0.55 0.36 0.00 0.00 0.00 0.00 175.76 176.92 1j5i s ASN 48 N -3.55 5.38 0.48 0.00 0.02 -1.12 -0.14 114.94 116.01 1j5i s ASN 48 Ca 0.36 0.87 0.27 0.00 -1.02 0.00 0.00 52.86 53.34 1j5i s ASN 48 Cb -0.10 -1.72 0.82 0.00 0.02 0.00 0.00 41.25 40.27 1j5i s ASN 48 CO 0.30 -1.29 1.78 1.55 0.02 0.00 0.00 177.10 179.46 1j5i h PRO 49 N -0.48 0.00 -0.64 -0.60 0.13 -1.87 -2.63 132.00 125.90 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 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1j5i h PRO 49 CO 0.62 0.05 0.00 0.00 -0.23 0.00 0.00 178.00 178.45 1j5i n ALA 50 N -2.12 2.84 1.13 -0.56 0.00 -1.26 -4.13 120.51 116.41 1j5i n ALA 50 Ca 0.02 -1.52 0.08 0.00 0.00 0.00 0.00 53.44 52.02 1j5i n ALA 50 Cb 0.44 -0.94 0.29 0.00 0.00 0.00 0.00 19.45 19.24 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 1.18 1.67 -4.20 0.00 2.03 -0.99 -4.56 116.55 111.68 1j5i n ASP 51 Ca 0.25 -1.81 -0.40 0.00 0.52 0.00 0.00 54.79 53.34 1j5i n ASP 51 Cb 0.79 -0.15 -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 -1.70 3.82 -0.38 -0.67 0.08 -1.20 -2.79 117.98 115.14 1j5i s PHE 52 Ca 0.28 -2.66 0.02 0.00 0.12 0.00 0.00 56.93 54.70 1j5i s PHE 52 Cb 0.15 -3.48 0.16 0.00 -0.57 0.00 0.00 43.02 39.28 1j5i s PHE 52 CO 0.22 -0.86 0.33 0.45 -0.10 0.00 0.00 175.22 175.26 1j5i s SER 53 N 0.85 1.66 0.36 1.36 0.15 -0.07 -4.97 113.70 113.04 1j5i s SER 53 Ca 0.23 -2.09 -0.14 0.00 0.70 0.00 0.00 55.95 54.65 1j5i s SER 53 Cb -0.12 0.13 -0.12 0.00 -1.71 0.00 0.00 66.02 64.21 1j5i s SER 53 CO -0.09 -0.25 -0.04 -1.54 1.20 0.00 0.00 173.24 172.53 1j5i n SER 54 N 3.82 -2.59 -3.67 5.45 3.41 -1.26 -1.51 113.62 117.28 1j5i n SER 54 Ca 0.16 0.54 -0.12 0.00 -0.26 0.00 0.00 58.87 59.19 1j5i n SER 54 Cb 0.44 -0.65 -0.06 0.00 -0.26 0.00 0.00 64.21 63.67 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 -1.45 0.07 -0.10 -3.33 0.11 0.22 -4.59 120.40 111.33 1j5i s VAL 55 Ca 0.44 -0.54 -0.07 0.00 -2.93 0.00 0.00 61.98 58.88 1j5i s VAL 55 Cb -0.41 -1.04 0.04 0.00 -1.53 0.00 0.00 36.38 33.43 1j5i s VAL 55 CO 0.49 -0.30 0.25 0.28 -3.33 0.00 0.00 175.10 172.49 1j5i s THR 56 N -3.02 -0.02 -0.17 5.04 -1.32 -1.26 0.37 115.64 115.26 1j5i s THR 56 Ca -0.02 0.07 -0.09 0.00 -1.21 0.00 0.00 61.69 60.45 1j5i s THR 56 Cb 0.00 -0.36 -0.05 0.00 -1.51 0.00 0.00 72.50 70.58 1j5i s THR 56 CO -0.06 0.03 0.14 0.00 -2.21 0.00 0.00 174.62 172.51 1j5i s ALA 57 N 0.71 3.76 0.94 11.08 0.00 -0.60 -4.37 121.76 133.27 1j5i s ALA 57 Ca -0.05 -0.67 -0.13 0.00 0.00 0.00 0.00 51.96 51.11 1j5i s ALA 57 Cb -0.06 -2.10 0.02 0.00 0.00 0.00 0.00 23.12 20.98 1j5i s ALA 57 CO -0.04 0.33 0.37 -0.25 0.00 0.00 0.00 175.76 176.16 1j5i n ASP 58 N 2.96 -2.19 -0.51 0.00 10.43 0.16 -0.34 116.55 127.06 1j5i n ASP 58 Ca -0.17 0.34 0.44 0.00 2.57 0.00 0.00 54.79 57.96 1j5i n ASP 58 Cb 0.53 -1.19 0.73 0.00 1.84 0.00 0.00 41.12 43.03 1j5i n ASP 58 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1j5i h ALA 59 N -1.47 3.50 -0.43 2.24 0.00 -1.88 3.15 119.26 124.37 1j5i h ALA 59 Ca -0.44 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.18 1j5i h ALA 59 Cb 1.29 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 19.06 1j5i h ALA 59 CO 0.34 -2.07 0.31 -1.71 0.00 0.00 0.00 179.25 176.12 1j5i n ASN 60 N -3.81 4.11 -4.23 0.00 5.15 -1.26 -4.14 115.26 111.06 1j5i n ASN 60 Ca 0.35 -2.77 -0.32 0.00 -0.60 0.00 0.00 54.58 51.24 1j5i n ASN 60 Cb 1.74 -0.75 -0.06 0.00 -0.53 0.00 0.00 39.78 40.18 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 -0.04 -0.27 3.09 8.20 0.00 1.04 -4.02 105.19 113.20 1j5i n GLY 61 Ca 0.26 0.14 -0.35 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.96 5.13 -0.86 1.61 0.01 -0.99 0.17 113.70 114.80 1j5i s SER 62 Ca 0.30 -2.22 -0.05 0.00 1.31 0.00 0.00 55.95 55.29 1j5i s SER 62 Cb -0.17 -1.79 0.22 0.00 0.21 0.00 0.00 66.02 64.49 1j5i s SER 62 CO 0.96 -0.48 0.76 0.00 0.41 0.00 0.00 173.24 174.89 1j5i s ALA 63 N 0.86 4.16 -1.14 1.44 0.00 0.15 0.37 121.76 127.61 1j5i s ALA 63 Ca 0.10 -3.63 -0.13 0.00 0.00 0.00 0.00 51.96 48.31 1j5i s ALA 63 Cb -0.22 -3.05 0.21 0.00 0.00 0.00 0.00 23.12 20.06 1j5i s ALA 63 CO -0.05 -2.17 1.27 -1.54 0.00 0.00 0.00 175.76 173.28 1j5i s SER 64 N 0.70 7.11 -0.11 0.00 1.04 -1.26 0.29 113.70 121.47 1j5i s SER 64 Ca 0.24 -3.11 -0.02 0.00 0.48 0.00 0.00 55.95 53.54 1j5i s SER 64 Cb -0.11 -2.33 -0.03 0.00 0.10 0.00 0.00 66.02 63.65 1j5i s SER 64 CO -0.09 -0.61 -0.03 0.28 0.98 0.00 0.00 173.24 173.77 1j5i s THR 65 N 0.66 3.97 -0.11 2.02 -1.32 0.14 -4.89 115.64 116.10 1j5i s THR 65 Ca 0.37 -0.36 -0.10 0.00 -1.21 0.00 0.00 61.69 60.39 1j5i s THR 65 Cb -0.06 -2.69 -0.05 0.00 -1.51 0.00 0.00 72.50 68.20 1j5i s THR 65 CO -0.04 0.56 0.21 -0.94 -2.21 0.00 0.00 174.62 172.20 1j5i s SER 66 N -0.33 6.46 0.24 8.08 1.04 -1.26 0.60 113.70 128.52 1j5i s SER 66 Ca 0.06 0.54 -0.17 0.00 0.48 0.00 0.00 55.95 56.86 1j5i s SER 66 Cb -0.12 -2.12 0.01 0.00 0.10 0.00 0.00 66.02 63.89 1j5i s SER 66 CO 0.02 0.33 0.56 -0.22 0.98 0.00 0.00 173.24 174.91 1j5i s LEU 67 N -0.68 0.07 -0.11 2.42 1.98 -0.34 -4.93 118.68 117.09 1j5i s LEU 67 Ca 0.16 -0.68 -0.07 0.00 -2.89 0.00 0.00 54.13 50.65 1j5i s LEU 67 Cb -0.13 2.18 -0.04 0.00 0.66 0.00 0.00 46.19 48.86 1j5i s LEU 67 CO 0.05 -1.17 0.15 -0.89 -1.89 0.00 0.00 176.35 172.60 1j5i s THR 68 N -3.94 5.49 -1.05 3.68 2.01 -1.26 -1.55 115.64 119.01 1j5i s THR 68 Ca 0.14 0.20 -0.17 0.00 0.31 0.00 0.00 61.69 62.18 1j5i s THR 68 Cb -0.02 -3.42 0.14 0.00 0.01 0.00 0.00 72.50 69.21 1j5i s THR 68 CO 0.04 0.59 1.27 -0.69 -0.69 0.00 0.00 174.62 175.15 1j5i s VAL 69 N -1.06 4.82 -1.23 3.82 1.01 0.19 -4.84 120.40 123.11 1j5i s VAL 69 Ca 0.16 -2.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.01 1j5i s VAL 69 Cb -0.12 -4.85 0.16 0.00 0.00 0.00 0.00 36.38 31.57 1j5i s VAL 69 CO 0.06 -1.58 1.52 0.54 0.00 0.00 0.00 175.10 175.64 1j5i n ARG 70 N 6.28 3.37 0.30 2.72 5.12 -1.26 -1.99 116.66 131.20 1j5i n ARG 70 Ca 0.30 -3.75 0.17 0.00 -1.93 0.00 0.00 57.85 52.63 1j5i n ARG 70 Cb 0.46 -3.07 0.95 0.00 -1.16 0.00 0.00 32.46 29.64 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 7.02 0.00 -5.14 5.56 9.65 -1.89 -3.40 114.38 126.18 1j5i h ARG 71 Ca 0.34 0.00 -0.63 0.00 -1.10 0.00 0.00 59.98 58.59 1j5i h ARG 71 Cb 0.84 0.00 -0.17 0.00 -1.39 0.00 0.00 29.97 29.25 1j5i h ARG 71 CO 1.31 0.03 -0.57 0.45 2.80 0.00 0.00 179.97 183.99 1j5i s SER 72 N -5.86 5.62 0.00 -3.80 0.15 -1.26 -0.99 113.70 107.55 1j5i s SER 72 Ca -0.04 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1j5i s SER 72 Cb 0.14 -1.99 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 1j5i s SER 72 CO 0.52 0.09 0.00 0.49 1.20 0.00 0.00 173.24 175.54 1j5i n PHE 73 N 4.11 0.00 -2.95 3.44 3.72 -0.02 -4.96 117.46 120.80 1j5i n PHE 73 Ca -0.16 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.82 1j5i n PHE 73 Cb 0.52 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.01 1j5i n PHE 73 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1j5i s GLU 74 N -1.77 3.82 0.52 -1.08 2.12 -1.22 -0.87 118.70 120.22 1j5i s GLU 74 Ca 0.00 0.41 -0.01 0.00 0.36 0.00 0.00 54.97 55.73 1j5i s GLU 74 Cb 0.00 -3.78 0.01 0.00 0.26 0.00 0.00 34.13 30.62 1j5i s GLU 74 CO 0.00 -0.80 0.76 0.20 -0.54 0.00 0.00 175.26 174.88 1j5i s GLY 75 N 1.77 1.66 -0.08 -1.50 0.00 -0.40 -2.67 107.32 106.10 1j5i s GLY 75 Ca 0.32 -1.07 -0.01 0.00 0.00 0.00 0.00 44.72 43.96 1j5i s GLY 75 CO 0.16 -0.84 -0.04 -1.36 0.00 0.00 0.00 173.10 171.02 1j5i s PHE 76 N -2.73 1.05 1.02 1.90 0.40 0.80 -0.69 117.98 119.72 1j5i s PHE 76 Ca 0.53 -0.42 -0.21 0.00 -0.60 0.00 0.00 56.93 56.22 1j5i s PHE 76 Cb -0.10 -0.97 -0.10 0.00 0.51 0.00 0.00 43.02 42.36 1j5i s PHE 76 CO 0.40 -0.39 -0.80 1.28 0.70 0.00 0.00 175.22 176.41 1j5i n LEU 77 N 4.87 -3.34 0.23 -0.37 7.99 0.68 -0.91 117.00 126.15 1j5i n LEU 77 Ca -0.12 0.06 0.11 0.00 -0.01 0.00 0.00 56.01 56.05 1j5i n LEU 77 Cb 0.50 -0.75 0.48 0.00 -0.11 0.00 0.00 43.42 43.54 1j5i n LEU 77 CO 0.15 -3.71 0.82 2.19 -1.51 0.00 0.00 177.39 175.33 1j5i h PHE 78 N -1.29 0.00 0.58 -1.77 -0.00 0.16 -3.21 116.94 111.41 1j5i h PHE 78 Ca -0.44 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 57.50 1j5i h PHE 78 Cb 1.35 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 37.31 1j5i h PHE 78 CO 0.13 0.20 -0.28 0.22 -0.00 0.00 0.00 178.31 178.59 1j5i h ASP 79 N 0.00 -0.66 0.00 -0.68 3.58 -1.88 -3.48 116.42 113.31 1j5i h ASP 79 Ca -0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1j5i h ASP 79 Cb 0.73 0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.95 1j5i h ASP 79 CO 0.03 -0.27 0.00 0.61 -2.88 0.00 0.00 179.24 176.73 1j5i n GLY 80 N -0.41 0.27 3.77 -0.78 0.00 -1.21 -5.14 105.19 101.69 1j5i n GLY 80 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1j5i n GLY 80 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j5i s THR 81 N 0.00 3.03 0.01 2.61 -1.32 -1.26 -4.75 115.64 113.96 1j5i s THR 81 Ca 0.00 0.86 -0.30 0.00 -1.21 0.00 0.00 61.69 61.04 1j5i s THR 81 Cb 0.00 -3.48 -0.04 0.00 -1.51 0.00 0.00 72.50 67.48 1j5i s THR 81 CO 0.00 0.07 1.05 -0.13 -2.21 0.00 0.00 174.62 173.40 1j5i s ARG 82 N -2.36 4.51 0.00 7.08 0.52 -1.26 -0.23 118.95 127.20 1j5i s ARG 82 Ca 0.58 1.53 0.00 0.00 -0.52 0.00 0.00 55.73 57.32 1j5i s ARG 82 Cb -0.32 -3.44 0.00 0.00 0.52 0.00 0.00 34.95 31.71 1j5i s ARG 82 CO 0.40 -0.14 0.00 1.87 0.02 0.00 0.00 175.30 177.45 1j5i n TRP 83 N 4.04 0.00 0.00 -0.53 -0.00 0.13 -4.81 117.44 116.27 1j5i n TRP 83 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.57 1j5i n TRP 83 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.80 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 2.89 -0.01 5.00 5.87 0.00 -1.05 -4.85 105.19 113.03 1j5i n GLY 84 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.00 0.00 2.61 -1.04 -1.26 -1.27 114.28 113.32 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 0.52 -0.64 0.00 0.00 175.07 174.95 1j5i n VAL 86 N 0.00 0.00 -3.97 12.58 0.31 -0.05 -4.18 118.33 123.01 1j5i n VAL 86 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 1j5i n VAL 86 Cb 0.00 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 1j5i n VAL 86 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1j5i s ASP 87 N -4.00 4.85 -0.21 4.52 -1.08 -1.26 -0.84 116.67 118.65 1j5i s ASP 87 Ca 0.00 -2.08 -0.05 0.00 -0.52 0.00 0.00 52.55 49.91 1j5i s ASP 87 Cb 0.00 -1.67 -0.09 0.00 -1.46 0.00 0.00 42.92 39.70 1j5i s ASP 87 CO 0.00 -0.40 3.10 0.00 0.52 0.00 0.00 175.17 178.39 1j5i n THR 89 N 1.65 0.95 0.03 0.00 5.66 -1.26 -4.15 114.28 117.17 1j5i n THR 89 Ca 0.43 -0.64 -0.21 0.00 -3.05 0.00 0.00 64.05 60.58 1j5i n THR 89 Cb 0.73 -0.57 -0.14 0.00 -1.55 0.00 0.00 70.33 68.79 1j5i n THR 89 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1j5i h THR 90 N 0.00 0.78 -3.39 1.09 2.02 -1.99 -3.45 112.91 107.96 1j5i h THR 90 Ca -0.10 -2.45 -0.59 0.00 0.77 0.00 0.00 66.41 64.04 1j5i h THR 90 Cb 1.36 2.61 -0.09 0.00 -1.74 0.00 0.00 68.15 70.30 1j5i h THR 90 CO 0.03 0.86 -0.05 0.00 0.37 0.00 0.00 175.52 176.73 1j5i s ALA 91 N -2.57 3.50 -0.51 6.16 0.00 -1.26 -5.00 121.76 122.08 1j5i s ALA 91 Ca -0.18 -0.26 -0.27 0.00 0.00 0.00 0.00 51.96 51.25 1j5i s ALA 91 Cb 0.06 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 1j5i s ALA 91 CO 0.81 -0.25 1.83 0.00 0.00 0.00 0.00 175.76 178.15 1j5i s ALA 92 N 1.19 2.41 -0.16 0.00 0.00 -1.26 -4.85 121.76 119.10 1j5i s ALA 92 Ca 0.26 -0.34 -0.29 0.00 0.00 0.00 0.00 51.96 51.59 1j5i s ALA 92 Cb -0.15 -4.20 -0.00 0.00 0.00 0.00 0.00 23.12 18.76 1j5i s ALA 92 CO 0.11 -3.45 1.04 0.00 0.00 0.00 0.00 175.76 173.46 1j5i s GLN 94 N 2.59 3.69 -0.50 0.00 -0.21 -0.52 -1.12 119.66 123.59 1j5i s GLN 94 Ca 0.47 0.12 -0.24 0.00 0.02 0.00 0.00 55.36 55.73 1j5i s GLN 94 Cb -0.17 -3.81 0.03 0.00 1.00 0.00 0.00 33.01 30.06 1j5i s GLN 94 CO 0.13 -0.77 0.89 0.08 -2.12 0.00 0.00 175.29 173.49 1j5i s VAL 95 N 2.81 4.50 0.28 1.09 1.01 0.85 -0.42 120.40 130.51 1j5i s VAL 95 Ca 0.26 0.42 -0.19 0.00 0.00 0.00 0.00 61.98 62.48 1j5i s VAL 95 Cb -0.14 -4.45 0.07 0.00 0.00 0.00 0.00 36.38 31.86 1j5i s VAL 95 CO 0.15 -0.92 0.92 -0.83 0.00 0.00 0.00 175.10 174.42 1j5i s GLY 96 N 2.49 0.23 -0.01 4.51 0.00 -0.23 -1.49 107.32 112.81 1j5i s GLY 96 Ca 0.32 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.51 1j5i s GLY 96 CO 0.22 1.16 0.04 0.48 0.00 0.00 0.00 173.10 175.00 1j5i s LEU 97 N -3.25 3.71 -0.02 0.66 -0.00 -1.26 0.09 118.68 118.62 1j5i s LEU 97 Ca 0.19 0.09 -0.00 0.00 -0.00 0.00 0.00 54.13 54.40 1j5i s LEU 97 Cb -0.04 -2.11 -0.04 0.00 -0.00 0.00 0.00 46.19 44.00 1j5i s LEU 97 CO 0.08 0.29 0.05 -0.94 -0.00 0.00 0.00 176.35 175.83 1j5i s SER 98 N -1.56 5.49 0.86 1.48 1.04 0.42 -4.08 113.70 117.35 1j5i s SER 98 Ca 0.20 0.12 -0.11 0.00 0.48 0.00 0.00 55.95 56.64 1j5i s SER 98 Cb -0.12 -1.55 0.11 0.00 0.10 0.00 0.00 66.02 64.57 1j5i s SER 98 CO 0.11 0.29 1.11 -1.81 0.98 0.00 0.00 173.24 173.92 1j5i s ASP 99 N -1.55 3.62 -0.05 7.02 1.11 -0.04 -1.94 116.67 124.84 1j5i s ASP 99 Ca 0.20 1.88 0.09 0.00 0.18 0.00 0.00 52.55 54.90 1j5i s ASP 99 Cb -0.12 -2.47 0.34 0.00 1.07 0.00 0.00 42.92 41.74 1j5i s ASP 99 CO 0.11 -2.61 1.17 0.00 1.18 0.00 0.00 175.17 175.03 1j5i n ALA 100 N -3.89 2.78 -0.12 5.23 0.00 -1.26 -3.61 120.51 119.65 1j5i n ALA 100 Ca 0.09 -0.74 -0.15 0.00 0.00 0.00 0.00 53.44 52.64 1j5i n ALA 100 Cb 0.53 -1.01 -0.12 0.00 0.00 0.00 0.00 19.45 18.85 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 0.41 1.48 0.00 0.00 0.00 -1.26 -5.02 120.51 116.13 1j5i n ALA 101 Ca 0.12 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.47 1j5i n ALA 101 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 2.22 0.47 3.22 0.00 0.00 -1.24 -5.17 105.19 104.69 1j5i n GLY 102 Ca -0.41 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.08 -0.40 1.61 0.01 -1.26 -5.02 114.94 109.80 1j5i s ASN 103 Ca 0.00 -0.21 0.08 0.00 -0.71 0.00 0.00 52.86 52.02 1j5i s ASN 103 Cb 0.00 0.32 0.26 0.00 0.41 0.00 0.00 41.25 42.24 1j5i s ASN 103 CO 0.00 -0.56 0.54 0.61 -1.51 0.00 0.00 177.10 176.18 1j5i n GLY 104 N 0.74 3.00 0.18 0.66 0.00 -1.26 -0.86 105.19 107.65 1j5i n GLY 104 Ca -0.19 -1.64 -0.15 0.00 0.00 0.00 0.00 46.02 44.04 1j5i n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j5i h PRO 105 N 3.94 0.54 -6.76 1.61 0.13 -1.99 -3.44 132.00 126.03 1j5i h PRO 105 Ca 0.08 -0.53 -0.49 0.00 -0.87 0.00 0.00 66.00 64.19 1j5i h PRO 105 Cb 0.87 0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 1j5i h PRO 105 CO 0.48 1.16 0.32 -1.21 -0.23 0.00 0.00 178.00 178.52 1j5i s GLU 106 N -3.42 4.71 0.00 0.86 8.01 -1.26 -4.98 118.70 122.62 1j5i s GLU 106 Ca -0.07 1.38 0.00 0.00 0.01 0.00 0.00 54.97 56.28 1j5i s GLU 106 Cb 0.09 -3.11 0.00 0.00 -4.31 0.00 0.00 34.13 26.80 1j5i s GLU 106 CO 0.88 0.44 0.00 0.41 0.01 0.00 0.00 175.26 177.00 1j5i n GLY 107 N 1.17 3.03 3.53 -1.39 0.00 -1.26 -3.98 105.19 106.28 1j5i n GLY 107 Ca -0.01 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 4.60 -0.95 1.61 0.11 -0.56 -4.57 120.40 120.64 1j5i s VAL 108 Ca 0.00 -0.08 -0.25 0.00 -2.93 0.00 0.00 61.98 58.72 1j5i s VAL 108 Cb 0.00 -3.13 -0.10 0.00 -1.53 0.00 0.00 36.38 31.62 1j5i s VAL 108 CO 0.00 0.37 2.08 0.00 -3.33 0.00 0.00 175.10 174.21 1j5i s ALA 109 N 1.23 1.32 0.23 1.54 0.00 -1.25 -0.10 121.76 124.72 1j5i s ALA 109 Ca 0.05 -1.46 0.05 0.00 0.00 0.00 0.00 51.96 50.61 1j5i s ALA 109 Cb -0.14 -4.60 -0.03 0.00 0.00 0.00 0.00 23.12 18.34 1j5i s ALA 109 CO 0.04 -5.40 0.33 -1.50 0.00 0.00 0.00 175.76 169.23 1j5i s ILE 110 N 12.18 5.13 0.00 0.00 1.10 -0.28 -4.79 121.20 134.54 1j5i s ILE 110 Ca 0.76 -1.03 0.00 0.00 -0.51 0.00 0.00 60.65 59.87 1j5i s ILE 110 Cb -0.07 -3.78 0.00 0.00 0.15 0.00 0.00 42.46 38.76 1j5i s ILE 110 CO 0.06 -0.31 0.00 -0.24 -2.11 0.00 0.00 174.94 172.34 1j5i n SER 111 N -1.31 0.00 -3.39 4.50 2.88 -0.62 -3.97 113.62 111.71 1j5i n SER 111 Ca -0.09 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.38 1j5i n SER 111 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 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 -0.02 -2.00 0.66 -0.71 -1.24 -1.51 117.98 113.15 1j5i s PHE 112 Ca 0.00 -0.52 0.09 0.00 -1.04 0.00 0.00 56.93 55.47 1j5i s PHE 112 Cb 0.00 0.76 0.56 0.00 -1.21 0.00 0.00 43.02 43.13 1j5i s PHE 112 CO 0.00 -1.32 1.01 -1.71 -1.34 0.00 0.00 175.22 171.85