#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 1.00 0.00 0.00 -1.26 -4.84 120.51 115.41 1j5i n ALA 2 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1j5i n ALA 2 Cb 0.00 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.22 0.26 0.00 0.00 -0.04 -1.26 -4.98 135.00 128.75 1j5i n PRO 3 Ca 0.00 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1j5i n PRO 3 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 -1.33 0.00 -2.41 0.52 -2.24 -0.86 -4.47 114.28 103.49 1j5i n THR 4 Ca 0.10 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.45 1j5i n THR 4 Cb 0.19 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.97 3.57 -0.03 6.98 0.00 -1.23 -2.39 121.76 126.69 1j5i s ALA 5 Ca 0.00 0.36 -0.07 0.00 0.00 0.00 0.00 51.96 52.25 1j5i s ALA 5 Cb 0.00 -3.67 0.01 0.00 0.00 0.00 0.00 23.12 19.46 1j5i s ALA 5 CO 0.00 -1.36 0.17 0.95 0.00 0.00 0.00 175.76 175.52 1j5i s THR 6 N 3.79 0.05 0.33 0.00 -4.23 -0.21 -4.30 115.64 111.07 1j5i s THR 6 Ca 0.56 -0.37 -0.27 0.00 -1.18 0.00 0.00 61.69 60.42 1j5i s THR 6 Cb -0.20 -0.37 -0.09 0.00 1.34 0.00 0.00 72.50 73.17 1j5i s THR 6 CO 0.17 -0.21 1.07 -0.69 -0.54 0.00 0.00 174.62 174.42 1j5i s VAL 7 N -0.73 3.63 0.13 2.29 1.01 -1.26 -1.64 120.40 123.82 1j5i s VAL 7 Ca -0.08 1.46 -0.31 0.00 0.00 0.00 0.00 61.98 63.05 1j5i s VAL 7 Cb -0.05 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.40 1j5i s VAL 7 CO 0.01 0.22 1.57 0.74 0.00 0.00 0.00 175.10 177.64 1j5i h THR 8 N 2.70 0.08 -0.84 3.92 2.02 -1.32 -3.42 112.91 116.05 1j5i h THR 8 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1j5i h THR 8 Cb 1.21 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1j5i h THR 8 CO 0.65 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.73 1j5i n PRO 9 N -5.43 0.87 0.00 6.66 -0.04 -1.26 -5.06 135.00 130.74 1j5i n PRO 9 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1j5i n PRO 9 Cb 0.37 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 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 -0.25 0.25 -3.14 3.54 7.64 -1.26 -4.89 113.62 115.51 1j5i n SER 10 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 1j5i n SER 10 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1j5i n SER 10 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1j5i n SER 11 N -2.22 4.45 0.30 6.43 3.41 -1.26 -1.80 113.62 122.94 1j5i n SER 11 Ca 0.00 -2.29 0.11 0.00 -0.26 0.00 0.00 58.87 56.43 1j5i n SER 11 Cb 0.08 -1.04 0.58 0.00 -0.26 0.00 0.00 64.21 63.58 1j5i n SER 11 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1j5i h GLY 12 N 8.43 0.00 -5.54 5.00 0.00 -1.73 -3.19 103.07 106.05 1j5i h GLY 12 Ca 0.44 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.43 1j5i h GLY 12 CO 1.39 0.00 2.42 1.47 0.00 0.00 0.00 176.54 181.82 1j5i n LEU 13 N -2.65 4.35 -3.96 3.11 -0.00 -0.25 -4.68 117.00 112.91 1j5i n LEU 13 Ca -0.01 -2.68 -0.25 0.00 -0.00 0.00 0.00 56.01 53.07 1j5i n LEU 13 Cb 0.49 -1.03 -0.17 0.00 -0.00 0.00 0.00 43.42 42.71 1j5i n LEU 13 CO 0.09 0.38 -0.45 -0.55 -0.00 0.00 0.00 177.39 176.86 1j5i s SER 14 N 3.64 1.77 -0.80 1.45 0.15 -1.20 -5.03 113.70 113.67 1j5i s SER 14 Ca 0.36 -0.27 -0.15 0.00 0.70 0.00 0.00 55.95 56.59 1j5i s SER 14 Cb 0.09 -0.76 -0.23 0.00 -1.71 0.00 0.00 66.02 63.41 1j5i s SER 14 CO -0.02 -0.03 1.90 0.47 1.20 0.00 0.00 173.24 176.76 1j5i n ASP 15 N 4.23 -0.59 -3.81 5.45 9.92 -1.26 -0.56 116.55 129.93 1j5i n ASP 15 Ca -0.20 -0.20 -0.28 0.00 -0.53 0.00 0.00 54.79 53.59 1j5i n ASP 15 Cb 0.51 -0.55 0.01 0.00 -0.64 0.00 0.00 41.12 40.44 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1j5i n GLY 16 N 4.74 -1.21 3.70 0.44 0.00 -1.14 -4.85 105.19 106.87 1j5i n GLY 16 Ca 0.54 0.54 -0.42 0.00 0.00 0.00 0.00 46.02 46.67 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 -3.12 4.34 -0.25 2.61 -1.32 0.28 -4.58 115.64 113.61 1j5i s THR 17 Ca 0.12 1.67 -0.12 0.00 -1.21 0.00 0.00 61.69 62.14 1j5i s THR 17 Cb -0.06 -4.07 -0.05 0.00 -1.51 0.00 0.00 72.50 66.81 1j5i s THR 17 CO 0.90 0.06 0.25 -0.69 -2.21 0.00 0.00 174.62 172.93 1j5i s VAL 18 N 1.61 5.29 0.09 5.08 1.01 -1.26 0.20 120.40 132.42 1j5i s VAL 18 Ca 0.55 0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.86 1j5i s VAL 18 Cb -0.25 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1j5i s VAL 18 CO 0.25 0.28 0.14 1.33 0.00 0.00 0.00 175.10 177.10 1j5i n VAL 19 N 4.59 0.00 -4.68 2.92 0.24 -0.59 -4.99 118.33 115.83 1j5i n VAL 19 Ca -0.12 -0.42 -0.33 0.00 -2.04 0.00 0.00 64.34 61.42 1j5i n VAL 19 Cb 0.52 0.28 -0.12 0.00 -1.47 0.00 0.00 33.84 33.04 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 -2.17 2.87 -0.32 7.34 1.02 -1.26 -1.66 119.74 125.56 1j5i s LYS 20 Ca 0.07 -0.60 -0.03 0.00 0.02 0.00 0.00 55.97 55.44 1j5i s LYS 20 Cb -0.00 -2.58 0.06 0.00 -0.52 0.00 0.00 37.83 34.78 1j5i s LYS 20 CO 0.05 0.56 0.04 0.08 -0.92 0.00 0.00 175.35 175.16 1j5i s VAL 21 N -0.53 3.16 -0.07 3.17 1.01 0.29 -0.77 120.40 126.66 1j5i s VAL 21 Ca 0.08 -1.43 -0.21 0.00 0.00 0.00 0.00 61.98 60.42 1j5i s VAL 21 Cb -0.12 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1j5i s VAL 21 CO 0.02 -0.19 0.59 0.00 0.00 0.00 0.00 175.10 175.52 1j5i s ALA 22 N 1.26 3.43 -0.54 5.51 0.00 -0.65 -0.59 121.76 130.17 1j5i s ALA 22 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.91 1j5i s ALA 22 Cb -0.20 -2.79 0.14 0.00 0.00 0.00 0.00 23.12 20.27 1j5i s ALA 22 CO -0.01 0.01 0.33 0.20 0.00 0.00 0.00 175.76 176.30 1j5i s GLY 23 N 0.44 2.35 -0.19 0.00 0.00 0.19 -1.04 107.32 109.08 1j5i s GLY 23 Ca 0.32 -3.07 -0.19 0.00 0.00 0.00 0.00 44.72 41.77 1j5i s GLY 23 CO 0.15 1.06 0.55 0.00 0.00 0.00 0.00 173.10 174.86 1j5i s ALA 24 N 0.20 3.53 -0.68 3.20 0.00 -1.01 0.26 121.76 127.25 1j5i s ALA 24 Ca 0.15 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.78 1j5i s ALA 24 Cb -0.22 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1j5i s ALA 24 CO -0.03 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.71 1j5i n GLY 25 N 3.78 0.79 0.00 0.00 0.00 0.18 -2.03 105.19 107.91 1j5i n GLY 25 Ca -0.04 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.78 0.00 -4.54 0.99 0.00 -0.46 -4.77 117.00 107.45 1j5i n LEU 26 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 56.01 55.79 1j5i n LEU 26 Cb 0.26 0.00 -0.11 0.00 0.00 0.00 0.00 43.42 43.57 1j5i n LEU 26 CO 0.10 0.00 1.43 0.00 0.00 0.00 0.00 177.39 178.92 1j5i n GLN 27 N 0.00 0.40 -1.54 1.96 1.13 -1.26 -4.56 117.38 113.51 1j5i n GLN 27 Ca 0.00 -0.65 -0.13 0.00 -1.94 0.00 0.00 57.00 54.28 1j5i n GLN 27 Cb 0.00 -3.00 -0.10 0.00 0.11 0.00 0.00 30.24 27.26 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 15.30 0.29 -0.99 -1.58 0.00 -1.26 -1.25 120.51 131.01 1j5i n ALA 28 Ca 0.52 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 52.15 1j5i n ALA 28 Cb 0.36 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.66 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 6.28 0.94 2.02 0.00 0.00 0.46 -4.72 105.19 110.17 1j5i n GLY 29 Ca 0.42 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.09 0.00 -3.83 2.61 -1.04 -0.38 -4.79 114.28 104.75 1j5i n THR 30 Ca 0.00 -0.74 -0.12 0.00 -2.04 0.00 0.00 64.05 61.15 1j5i n THR 30 Cb 0.00 -1.29 -0.10 0.00 -1.82 0.00 0.00 70.33 67.13 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 -3.24 -0.50 0.00 2.41 0.00 -1.26 -1.54 121.76 117.62 1j5i s ALA 31 Ca 0.36 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1j5i s ALA 31 Cb -0.02 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1j5i s ALA 31 CO 0.24 -0.22 0.00 0.66 0.00 0.00 0.00 175.76 176.44 1j5i n TYR 32 N 1.49 -0.38 -3.75 0.00 4.01 0.10 -4.90 117.16 113.74 1j5i n TYR 32 Ca -0.22 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.15 1j5i n TYR 32 Cb 0.56 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.47 1j5i n TYR 32 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1j5i s ASP 33 N -0.33 5.32 0.27 7.72 -0.00 -1.20 0.97 116.67 129.42 1j5i s ASP 33 Ca 0.00 -1.18 -0.29 0.00 -0.00 0.00 0.00 52.55 51.08 1j5i s ASP 33 Cb 0.00 -1.87 -0.09 0.00 -0.00 0.00 0.00 42.92 40.96 1j5i s ASP 33 CO 0.00 -0.34 0.99 -0.69 -0.00 0.00 0.00 175.17 175.13 1j5i s VAL 34 N 1.40 3.92 0.00 -1.27 1.01 -0.28 -0.93 120.40 124.25 1j5i s VAL 34 Ca -0.01 1.88 0.00 0.00 0.00 0.00 0.00 61.98 63.85 1j5i s VAL 34 Cb -0.20 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1j5i s VAL 34 CO 0.03 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1j5i n GLY 35 N 1.26 1.47 3.40 4.51 0.00 0.18 -0.96 105.19 115.04 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 1.20 0.00 0.00 0.00 173.32 174.52 1j5i s GLN 36 N -2.00 3.07 0.09 1.61 -0.21 -1.26 -0.93 119.66 120.03 1j5i s GLN 36 Ca 0.00 -1.19 0.04 0.00 0.02 0.00 0.00 55.36 54.23 1j5i s GLN 36 Cb 0.00 -4.23 -0.04 0.00 1.00 0.00 0.00 33.01 29.74 1j5i s GLN 36 CO 0.00 -1.51 0.05 0.00 -2.12 0.00 0.00 175.29 171.71 1j5i n ALA 38 N 0.46 0.00 -2.02 0.00 0.00 -0.62 -1.53 120.51 116.80 1j5i n ALA 38 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 1j5i n ALA 38 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1j5i n ALA 38 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1j5i s TRP 39 N -2.00 1.86 -0.22 0.00 0.52 -1.26 0.01 118.94 117.86 1j5i s TRP 39 Ca 0.00 0.59 -0.12 0.00 0.02 0.00 0.00 56.10 56.59 1j5i s TRP 39 Cb 0.00 -4.11 -0.18 0.00 -1.15 0.00 0.00 33.47 28.03 1j5i s TRP 39 CO 0.00 -2.99 -0.00 1.55 0.02 0.00 0.00 176.95 175.53 1j5i n VAL 40 N 7.20 1.58 -0.99 4.03 3.14 -0.15 -4.61 118.33 128.52 1j5i n VAL 40 Ca 0.22 -0.36 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 1j5i n VAL 40 Cb 0.46 -1.82 0.00 0.00 -1.06 0.00 0.00 33.84 31.42 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 -4.20 6.55 4.64 -1.17 -4.85 116.55 113.55 1j5i n ASP 41 Ca -0.41 -0.28 -0.30 0.00 -1.38 0.00 0.00 54.79 52.42 1j5i n ASP 41 Cb 0.88 0.00 -0.09 0.00 -1.04 0.00 0.00 41.12 40.86 1j5i n ASP 41 CO 0.00 0.00 0.00 0.41 -0.82 0.00 0.00 177.20 176.79 1j5i n THR 42 N -0.46 0.91 -1.10 5.18 -1.04 -1.26 -2.99 114.28 113.52 1j5i n THR 42 Ca 0.00 -0.90 -0.03 0.00 -2.04 0.00 0.00 64.05 61.08 1j5i n THR 42 Cb 0.00 -2.11 -0.01 0.00 -1.82 0.00 0.00 70.33 66.39 1j5i n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j5i n GLY 43 N 5.52 0.60 3.59 3.41 0.00 -1.26 -4.97 105.19 112.08 1j5i n GLY 43 Ca 0.45 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.91 4.90 -0.39 1.61 1.01 -1.16 -4.93 120.40 119.53 1j5i s VAL 44 Ca 0.00 0.80 -0.27 0.00 0.00 0.00 0.00 61.98 62.50 1j5i s VAL 44 Cb 0.00 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1j5i s VAL 44 CO 0.00 -0.22 2.09 -0.22 0.00 0.00 0.00 175.10 176.75 1j5i s LEU 45 N 2.69 3.42 -0.04 3.92 2.96 -1.26 -0.98 118.68 129.39 1j5i s LEU 45 Ca 0.26 1.22 0.06 0.00 -0.22 0.00 0.00 54.13 55.45 1j5i s LEU 45 Cb -0.15 -3.06 -0.01 0.00 0.50 0.00 0.00 46.19 43.47 1j5i s LEU 45 CO 0.13 -2.22 -0.21 0.00 -1.32 0.00 0.00 176.35 172.73 1j5i s ALA 46 N 9.11 1.84 0.22 5.97 0.00 0.10 0.64 121.76 139.64 1j5i s ALA 46 Ca 0.88 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.96 1j5i s ALA 46 Cb -0.22 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 1j5i s ALA 46 CO 0.30 0.37 0.38 0.00 0.00 0.00 0.00 175.76 176.81 1j5i s ASN 48 N -3.48 5.75 0.15 0.00 0.02 -1.02 -0.85 114.94 115.50 1j5i s ASN 48 Ca 0.37 1.26 0.24 0.00 -1.02 0.00 0.00 52.86 53.70 1j5i s ASN 48 Cb -0.10 -2.16 0.91 0.00 0.02 0.00 0.00 41.25 39.92 1j5i s ASN 48 CO 0.30 -1.16 1.73 -0.81 0.02 0.00 0.00 177.10 177.18 1j5i n PRO 49 N -2.91 0.14 -0.37 -0.60 -0.04 -1.19 -2.18 135.00 127.86 1j5i n PRO 49 Ca 0.07 0.24 0.08 0.00 -0.04 0.00 0.00 63.50 63.85 1j5i n PRO 49 Cb 0.56 -1.71 0.24 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.68 2.65 1.04 0.55 0.00 -1.26 -4.35 120.51 117.46 1j5i n ALA 50 Ca 0.04 -1.62 0.04 0.00 0.00 0.00 0.00 53.44 51.91 1j5i n ALA 50 Cb 0.30 -0.67 0.13 0.00 0.00 0.00 0.00 19.45 19.22 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 0.36 1.61 -4.21 0.00 2.03 -0.93 -4.61 116.55 110.80 1j5i n ASP 51 Ca 0.18 -2.03 -0.41 0.00 0.52 0.00 0.00 54.79 53.05 1j5i n ASP 51 Cb 0.69 -0.22 -0.06 0.00 -0.72 0.00 0.00 41.12 40.80 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 -1.63 3.55 -0.37 -0.67 0.08 -1.20 -2.83 117.98 114.91 1j5i s PHE 52 Ca 0.19 -2.29 0.04 0.00 0.12 0.00 0.00 56.93 54.98 1j5i s PHE 52 Cb 0.10 -3.49 0.16 0.00 -0.57 0.00 0.00 43.02 39.22 1j5i s PHE 52 CO 0.12 -0.92 0.42 0.45 -0.10 0.00 0.00 175.22 175.19 1j5i s SER 53 N 1.59 0.63 0.31 1.36 0.15 -0.14 -4.96 113.70 112.64 1j5i s SER 53 Ca 0.15 -1.31 -0.13 0.00 0.70 0.00 0.00 55.95 55.37 1j5i s SER 53 Cb -0.17 0.86 -0.10 0.00 -1.71 0.00 0.00 66.02 64.90 1j5i s SER 53 CO -0.05 -0.26 -0.03 -1.54 1.20 0.00 0.00 173.24 172.56 1j5i n SER 54 N 4.41 -2.23 -3.82 5.45 3.41 -1.26 -1.13 113.62 118.44 1j5i n SER 54 Ca 0.10 0.47 -0.10 0.00 -0.26 0.00 0.00 58.87 59.07 1j5i n SER 54 Cb 0.48 -0.57 -0.08 0.00 -0.26 0.00 0.00 64.21 63.78 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 -1.25 0.11 -0.17 -3.33 0.11 0.27 -4.55 120.40 111.60 1j5i s VAL 55 Ca 0.38 -0.87 -0.09 0.00 -2.93 0.00 0.00 61.98 58.47 1j5i s VAL 55 Cb -0.36 -0.96 0.06 0.00 -1.53 0.00 0.00 36.38 33.59 1j5i s VAL 55 CO 0.43 -0.48 0.41 -0.89 -3.33 0.00 0.00 175.10 171.24 1j5i s THR 56 N -2.70 -0.07 -0.11 5.04 2.01 -1.26 0.02 115.64 118.57 1j5i s THR 56 Ca -0.04 0.10 -0.06 0.00 0.31 0.00 0.00 61.69 62.00 1j5i s THR 56 Cb -0.00 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 1j5i s THR 56 CO -0.05 0.04 0.11 0.00 -0.69 0.00 0.00 174.62 174.03 1j5i s ALA 57 N 1.48 3.73 0.87 7.40 0.00 -0.59 -4.42 121.76 130.24 1j5i s ALA 57 Ca -0.09 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 1j5i s ALA 57 Cb -0.09 -1.86 0.12 0.00 0.00 0.00 0.00 23.12 21.30 1j5i s ALA 57 CO -0.13 0.61 1.14 -0.51 0.00 0.00 0.00 175.76 176.87 1j5i s ASP 58 N -0.97 3.31 0.56 0.00 -0.00 0.14 -0.40 116.67 119.31 1j5i s ASP 58 Ca 0.14 2.14 0.47 0.00 -0.00 0.00 0.00 52.55 55.30 1j5i s ASP 58 Cb -0.12 -2.56 1.65 0.00 -0.00 0.00 0.00 42.92 41.89 1j5i s ASP 58 CO 0.04 -2.84 1.58 0.00 -0.00 0.00 0.00 175.17 173.94 1j5i h ALA 59 N -1.61 3.70 -0.44 5.23 0.00 -1.86 2.96 119.26 127.25 1j5i h ALA 59 Ca -0.43 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.15 1j5i h ALA 59 Cb 1.26 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 19.06 1j5i h ALA 59 CO 0.44 -2.25 0.34 -1.71 0.00 0.00 0.00 179.25 176.06 1j5i n ASN 60 N -3.90 4.82 -4.32 0.00 2.85 -1.26 -4.16 115.26 109.28 1j5i n ASN 60 Ca 0.40 -2.86 -0.35 0.00 -0.11 0.00 0.00 54.58 51.67 1j5i n ASN 60 Cb 1.88 -0.85 -0.07 0.00 1.24 0.00 0.00 39.78 41.97 1j5i n ASN 60 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1j5i n GLY 61 N 0.10 -0.27 3.17 8.20 0.00 0.98 -4.22 105.19 113.15 1j5i n GLY 61 Ca 0.27 0.13 -0.39 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.87 5.56 -0.89 1.61 0.01 -0.97 0.48 113.70 115.63 1j5i s SER 62 Ca 0.37 -2.16 -0.06 0.00 1.31 0.00 0.00 55.95 55.41 1j5i s SER 62 Cb -0.21 -1.95 0.22 0.00 0.21 0.00 0.00 66.02 64.30 1j5i s SER 62 CO 0.98 -0.59 0.80 0.00 0.41 0.00 0.00 173.24 174.84 1j5i s ALA 63 N 0.98 4.22 -1.16 1.44 0.00 0.14 0.27 121.76 127.65 1j5i s ALA 63 Ca 0.09 -3.64 -0.12 0.00 0.00 0.00 0.00 51.96 48.29 1j5i s ALA 63 Cb -0.23 -3.12 0.21 0.00 0.00 0.00 0.00 23.12 19.97 1j5i s ALA 63 CO -0.03 -2.18 1.31 -1.12 0.00 0.00 0.00 175.76 173.74 1j5i s SER 64 N 0.84 7.14 -0.10 0.00 0.01 -1.26 0.56 113.70 120.90 1j5i s SER 64 Ca 0.24 -3.17 -0.02 0.00 1.31 0.00 0.00 55.95 54.31 1j5i s SER 64 Cb -0.11 -2.33 -0.03 0.00 0.21 0.00 0.00 66.02 63.75 1j5i s SER 64 CO -0.09 -0.60 -0.00 0.28 0.41 0.00 0.00 173.24 173.24 1j5i s THR 65 N 0.64 4.28 -0.10 1.44 -1.32 0.24 -4.88 115.64 115.94 1j5i s THR 65 Ca 0.38 -0.25 -0.01 0.00 -1.21 0.00 0.00 61.69 60.60 1j5i s THR 65 Cb -0.05 -2.81 -0.03 0.00 -1.51 0.00 0.00 72.50 68.10 1j5i s THR 65 CO -0.03 0.59 -0.04 -0.94 -2.21 0.00 0.00 174.62 171.99 1j5i s SER 66 N -0.72 4.89 0.36 8.08 1.04 -1.26 0.11 113.70 126.20 1j5i s SER 66 Ca 0.11 0.01 -0.13 0.00 0.48 0.00 0.00 55.95 56.42 1j5i s SER 66 Cb -0.12 -1.43 0.04 0.00 0.10 0.00 0.00 66.02 64.61 1j5i s SER 66 CO 0.02 0.32 0.70 -0.22 0.98 0.00 0.00 173.24 175.04 1j5i s LEU 67 N -0.54 0.24 -0.12 2.42 2.96 -0.66 -4.95 118.68 118.04 1j5i s LEU 67 Ca 0.08 -1.19 -0.03 0.00 -0.22 0.00 0.00 54.13 52.78 1j5i s LEU 67 Cb -0.12 2.47 -0.03 0.00 0.50 0.00 0.00 46.19 49.01 1j5i s LEU 67 CO 0.02 -1.55 0.01 -0.89 -1.32 0.00 0.00 176.35 172.61 1j5i s THR 68 N -2.66 4.33 -1.01 3.68 2.01 -1.26 -1.53 115.64 119.19 1j5i s THR 68 Ca 0.19 -0.22 -0.18 0.00 0.31 0.00 0.00 61.69 61.78 1j5i s THR 68 Cb -0.04 -2.86 0.12 0.00 0.01 0.00 0.00 72.50 69.73 1j5i s THR 68 CO 0.13 0.55 1.26 0.54 -0.69 0.00 0.00 174.62 176.42 1j5i s VAL 69 N -0.36 4.63 -1.25 3.82 0.11 0.54 -4.82 120.40 123.07 1j5i s VAL 69 Ca 0.07 -1.66 -0.14 0.00 -2.93 0.00 0.00 61.98 57.33 1j5i s VAL 69 Cb -0.12 -4.87 0.15 0.00 -1.53 0.00 0.00 36.38 30.01 1j5i s VAL 69 CO 0.02 -1.62 1.58 0.54 -3.33 0.00 0.00 175.10 172.29 1j5i n ARG 70 N 6.84 3.36 -0.19 1.54 5.12 -1.26 -2.37 116.66 129.71 1j5i n ARG 70 Ca 0.29 -3.67 0.21 0.00 -1.93 0.00 0.00 57.85 52.75 1j5i n ARG 70 Cb 0.48 -3.11 0.58 0.00 -1.16 0.00 0.00 32.46 29.25 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 6.95 0.27 -5.79 5.56 2.43 -1.84 -3.39 114.38 118.57 1j5i h ARG 71 Ca 0.36 -0.02 -0.59 0.00 -0.81 0.00 0.00 59.98 58.92 1j5i h ARG 71 Cb 0.83 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.24 1j5i h ARG 71 CO 1.36 0.18 -0.21 -1.54 -1.51 0.00 0.00 179.97 178.25 1j5i s SER 72 N -5.74 6.68 0.00 -3.80 1.04 -1.26 -0.27 113.70 110.35 1j5i s SER 72 Ca -0.07 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.16 1j5i s SER 72 Cb 0.22 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 64.09 1j5i s SER 72 CO 0.77 0.15 0.00 0.49 0.98 0.00 0.00 173.24 175.64 1j5i n PHE 73 N 2.90 0.00 -3.01 5.02 3.72 0.12 -4.92 117.46 121.29 1j5i n PHE 73 Ca -0.11 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.86 1j5i n PHE 73 Cb 0.52 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.00 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 -2.00 3.49 0.54 -1.08 2.12 -1.23 -0.29 118.70 120.25 1j5i s GLU 74 Ca 0.00 -0.05 -0.07 0.00 0.36 0.00 0.00 54.97 55.21 1j5i s GLU 74 Cb 0.00 -3.90 -0.03 0.00 0.26 0.00 0.00 34.13 30.46 1j5i s GLU 74 CO 0.00 -0.99 0.88 0.20 -0.54 0.00 0.00 175.26 174.81 1j5i s GLY 75 N 2.00 1.56 -0.03 -1.50 0.00 0.92 -3.15 107.32 107.11 1j5i s GLY 75 Ca 0.28 -0.41 -0.00 0.00 0.00 0.00 0.00 44.72 44.59 1j5i s GLY 75 CO 0.20 -0.19 0.01 -0.11 0.00 0.00 0.00 173.10 173.00 1j5i s PHE 76 N -2.92 0.26 0.51 1.90 -0.12 -0.03 -0.48 117.98 117.11 1j5i s PHE 76 Ca 0.51 0.04 -0.23 0.00 -0.05 0.00 0.00 56.93 57.20 1j5i s PHE 76 Cb -0.11 -0.41 -0.06 0.00 -0.63 0.00 0.00 43.02 41.81 1j5i s PHE 76 CO 0.48 -0.14 1.32 -0.51 -0.05 0.00 0.00 175.22 176.32 1j5i s LEU 77 N 1.20 3.93 0.39 -1.99 2.01 0.16 -0.63 118.68 123.75 1j5i s LEU 77 Ca -0.07 2.67 0.27 0.00 0.01 0.00 0.00 54.13 57.01 1j5i s LEU 77 Cb -0.13 -4.21 0.80 0.00 0.01 0.00 0.00 46.19 42.66 1j5i s LEU 77 CO -0.02 -1.35 1.76 2.19 1.01 0.00 0.00 176.35 179.94 1j5i h PHE 78 N 1.75 0.00 -0.17 0.29 -0.00 -0.02 -3.19 116.94 115.59 1j5i h PHE 78 Ca -0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.46 1j5i h PHE 78 Cb 1.28 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.22 1j5i h PHE 78 CO 0.48 0.00 0.10 0.22 -0.00 0.00 0.00 178.31 179.11 1j5i h ASP 79 N 0.00 0.21 0.00 -0.68 3.58 -1.91 -3.46 116.42 114.16 1j5i h ASP 79 Ca 0.00 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.38 1j5i h ASP 79 Cb 0.73 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.72 1j5i h ASP 79 CO 0.00 0.22 0.00 0.61 -2.88 0.00 0.00 179.24 177.19 1j5i n GLY 80 N -0.97 0.27 3.91 -0.78 0.00 -1.20 -5.15 105.19 101.26 1j5i n GLY 80 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 1j5i n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5i s THR 81 N 0.00 4.93 0.02 2.61 2.01 -1.26 -4.91 115.64 119.04 1j5i s THR 81 Ca 0.00 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.18 1j5i s THR 81 Cb 0.00 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1j5i s THR 81 CO 0.00 -0.70 0.00 0.00 -0.69 0.00 0.00 174.62 173.23 1j5i s ARG 82 N -4.41 2.74 0.00 4.92 1.70 -1.26 0.36 118.95 123.00 1j5i s ARG 82 Ca 0.47 -0.65 0.00 0.00 -0.47 0.00 0.00 55.73 55.07 1j5i s ARG 82 Cb -0.10 -2.64 0.00 0.00 -0.57 0.00 0.00 34.95 31.63 1j5i s ARG 82 CO 0.40 0.61 0.00 1.87 -1.08 0.00 0.00 175.30 177.10 1j5i n TRP 83 N 1.24 0.00 0.00 5.89 -0.00 -0.21 -4.77 117.44 119.59 1j5i n TRP 83 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.36 1j5i n TRP 83 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.83 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 3.64 2.25 5.00 5.87 0.00 0.37 -4.74 105.19 117.58 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 0.00 0.00 0.00 2.61 -1.04 -1.26 -0.05 114.28 114.53 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 -3.62 12.58 0.31 0.60 -4.85 118.33 123.35 1j5i n VAL 86 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.06 1j5i n VAL 86 Cb 0.00 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 32.77 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 0.16 2.78 -1.14 4.52 3.68 -1.26 0.14 116.67 125.56 1j5i s ASP 87 Ca 0.00 -0.85 -0.05 0.00 2.13 0.00 0.00 52.55 53.78 1j5i s ASP 87 Cb 0.00 -0.34 0.09 0.00 -1.45 0.00 0.00 42.92 41.22 1j5i s ASP 87 CO 0.00 -0.37 2.51 0.00 0.13 0.00 0.00 175.17 177.44 1j5i n THR 89 N 1.64 0.00 -0.07 0.00 5.66 -1.26 -4.53 114.28 115.72 1j5i n THR 89 Ca 0.60 -0.17 -0.08 0.00 -3.05 0.00 0.00 64.05 61.35 1j5i n THR 89 Cb 0.32 0.67 -0.04 0.00 -1.55 0.00 0.00 70.33 69.73 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 0.25 -3.42 1.09 2.02 -1.99 -3.46 112.91 107.41 1j5i h THR 90 Ca 0.00 -1.29 -0.59 0.00 0.77 0.00 0.00 66.41 65.29 1j5i h THR 90 Cb 0.64 0.58 -0.09 0.00 -1.74 0.00 0.00 68.15 67.54 1j5i h THR 90 CO 0.00 0.09 0.05 0.00 0.37 0.00 0.00 175.52 176.03 1j5i s ALA 91 N -2.61 3.52 -0.03 6.16 0.00 -1.26 -5.00 121.76 122.54 1j5i s ALA 91 Ca -0.16 -0.27 -0.32 0.00 0.00 0.00 0.00 51.96 51.20 1j5i s ALA 91 Cb 0.02 -2.90 -0.10 0.00 0.00 0.00 0.00 23.12 20.14 1j5i s ALA 91 CO 0.29 -0.45 1.93 0.00 0.00 0.00 0.00 175.76 177.52 1j5i n ALA 92 N 4.79 1.20 -2.69 0.00 0.00 -1.26 -4.88 120.51 117.67 1j5i n ALA 92 Ca -0.03 0.25 -0.40 0.00 0.00 0.00 0.00 53.44 53.27 1j5i n ALA 92 Cb 0.50 -2.59 -0.06 0.00 0.00 0.00 0.00 19.45 17.31 1j5i n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j5i s GLN 94 N 1.36 3.65 -0.45 0.00 -0.21 -0.58 -0.51 119.66 122.93 1j5i s GLN 94 Ca 0.31 -0.36 -0.23 0.00 0.02 0.00 0.00 55.36 55.09 1j5i s GLN 94 Cb -0.16 -3.77 0.03 0.00 1.00 0.00 0.00 33.01 30.10 1j5i s GLN 94 CO 0.12 -0.46 0.81 0.08 -2.12 0.00 0.00 175.29 173.72 1j5i s VAL 95 N 1.99 4.62 0.21 1.09 1.01 0.47 -0.36 120.40 129.43 1j5i s VAL 95 Ca 0.12 0.50 -0.14 0.00 0.00 0.00 0.00 61.98 62.46 1j5i s VAL 95 Cb -0.16 -4.34 0.05 0.00 0.00 0.00 0.00 36.38 31.93 1j5i s VAL 95 CO 0.11 -0.73 0.69 0.61 0.00 0.00 0.00 175.10 175.79 1j5i n GLY 96 N 4.96 0.99 3.78 4.51 0.00 -0.11 -1.59 105.19 117.73 1j5i n GLY 96 Ca 0.03 -1.14 -0.26 0.00 0.00 0.00 0.00 46.02 44.65 1j5i n GLY 96 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1j5i s LEU 97 N 0.00 3.72 0.05 0.99 -0.00 -1.26 0.50 118.68 122.68 1j5i s LEU 97 Ca 0.15 -0.19 0.01 0.00 -0.00 0.00 0.00 54.13 54.10 1j5i s LEU 97 Cb -0.03 -2.33 -0.04 0.00 -0.00 0.00 0.00 46.19 43.79 1j5i s LEU 97 CO 0.06 0.06 0.10 -0.94 -0.00 0.00 0.00 176.35 175.63 1j5i s SER 98 N -3.19 5.70 0.33 1.48 1.04 -0.10 -4.41 113.70 114.54 1j5i s SER 98 Ca 0.31 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1j5i s SER 98 Cb -0.10 -1.60 -0.03 0.00 0.10 0.00 0.00 66.02 64.39 1j5i s SER 98 CO 0.23 0.21 0.53 -1.81 0.98 0.00 0.00 173.24 173.38 1j5i s ASP 99 N -2.16 6.31 -0.06 7.02 1.01 -1.22 -3.22 116.67 124.35 1j5i s ASP 99 Ca 0.28 0.46 0.09 0.00 0.71 0.00 0.00 52.55 54.08 1j5i s ASP 99 Cb -0.12 -2.03 0.36 0.00 1.01 0.00 0.00 42.92 42.13 1j5i s ASP 99 CO 0.20 -0.26 1.19 0.00 0.21 0.00 0.00 175.17 176.50 1j5i n ALA 100 N -1.64 2.80 -0.09 5.23 0.00 -1.26 -3.52 120.51 122.04 1j5i n ALA 100 Ca -0.05 -0.78 -0.10 0.00 0.00 0.00 0.00 53.44 52.52 1j5i n ALA 100 Cb 0.56 -1.02 -0.16 0.00 0.00 0.00 0.00 19.45 18.84 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 0.43 1.49 0.00 0.00 0.00 -1.26 -5.01 120.51 116.17 1j5i n ALA 101 Ca 0.13 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1j5i n ALA 101 Cb 0.50 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 1.74 0.97 3.15 0.00 0.00 -1.23 -5.14 105.19 104.69 1j5i n GLY 102 Ca -0.31 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.87 0.98 -0.51 1.61 0.02 -1.26 -5.07 114.94 108.84 1j5i s ASN 103 Ca 0.00 -1.02 0.07 0.00 -1.02 0.00 0.00 52.86 50.90 1j5i s ASN 103 Cb 0.00 0.12 0.28 0.00 0.02 0.00 0.00 41.25 41.68 1j5i s ASN 103 CO 0.00 -0.51 0.71 0.61 0.02 0.00 0.00 177.10 177.93 1j5i n GLY 104 N -0.02 4.14 0.18 0.66 0.00 -1.26 -3.46 105.19 105.44 1j5i n GLY 104 Ca -0.12 -2.22 -0.16 0.00 0.00 0.00 0.00 46.02 43.52 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 3.73 0.57 -6.46 1.61 0.13 -1.99 -3.44 132.00 126.14 1j5i h PRO 105 Ca 0.13 -0.56 -0.53 0.00 -0.87 0.00 0.00 66.00 64.17 1j5i h PRO 105 Cb 0.75 0.15 -0.03 0.00 0.13 0.00 0.00 31.00 31.99 1j5i h PRO 105 CO 0.66 1.18 -0.04 -1.21 -0.23 0.00 0.00 178.00 178.36 1j5i s GLU 106 N -3.43 3.94 0.00 0.86 8.01 -1.26 -5.00 118.70 121.82 1j5i s GLU 106 Ca -0.08 0.48 0.00 0.00 0.01 0.00 0.00 54.97 55.38 1j5i s GLU 106 Cb 0.08 -2.72 0.00 0.00 -4.31 0.00 0.00 34.13 27.18 1j5i s GLU 106 CO 0.89 0.35 0.00 0.41 0.01 0.00 0.00 175.26 176.91 1j5i n GLY 107 N 0.22 3.00 3.56 -1.39 0.00 -1.26 -4.43 105.19 104.89 1j5i n GLY 107 Ca -0.01 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 5.21 -0.91 1.61 0.11 -0.62 -4.70 120.40 121.10 1j5i s VAL 108 Ca 0.00 0.04 -0.26 0.00 -2.93 0.00 0.00 61.98 58.83 1j5i s VAL 108 Cb 0.00 -3.53 -0.13 0.00 -1.53 0.00 0.00 36.38 31.18 1j5i s VAL 108 CO 0.00 0.19 2.21 0.00 -3.33 0.00 0.00 175.10 174.17 1j5i s ALA 109 N 1.74 0.92 0.38 1.54 0.00 -1.26 -0.39 121.76 124.68 1j5i s ALA 109 Ca 0.07 -1.21 -0.11 0.00 0.00 0.00 0.00 51.96 50.70 1j5i s ALA 109 Cb -0.16 -4.61 -0.07 0.00 0.00 0.00 0.00 23.12 18.28 1j5i s ALA 109 CO 0.10 -5.87 0.75 -1.50 0.00 0.00 0.00 175.76 169.24 1j5i s ILE 110 N 14.05 4.77 0.00 0.00 1.10 0.34 -4.71 121.20 136.74 1j5i s ILE 110 Ca 0.84 0.69 0.00 0.00 -0.51 0.00 0.00 60.65 61.67 1j5i s ILE 110 Cb -0.09 -3.70 0.00 0.00 0.15 0.00 0.00 42.46 38.82 1j5i s ILE 110 CO 0.09 -0.42 0.00 -1.54 -2.11 0.00 0.00 174.94 170.96 1j5i n SER 111 N -1.03 0.00 -3.68 4.50 3.41 -0.74 -3.81 113.62 112.27 1j5i n SER 111 Ca 0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.54 1j5i n SER 111 Cb 0.54 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.38 1j5i n SER 111 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1j5i s PHE 112 N 0.00 -0.69 -1.19 7.33 5.36 -1.17 -1.09 117.98 126.53 1j5i s PHE 112 Ca 0.00 1.38 0.00 0.00 -0.96 0.00 0.00 56.93 57.35 1j5i s PHE 112 Cb 0.00 0.27 0.00 0.00 -0.34 0.00 0.00 43.02 42.95 1j5i s PHE 112 CO 0.00 -0.41 0.30 -1.71 -1.46 0.00 0.00 175.22 171.94