#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 -2.39 0.00 0.00 -1.26 -5.01 120.51 111.85 1j5i n ALA 2 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1j5i n ALA 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 4.03 0.52 0.00 0.04 -1.26 -3.74 135.00 134.59 1j5i s PRO 3 Ca 0.00 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1j5i s PRO 3 Cb 0.00 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.69 1j5i s PRO 3 CO 0.00 -0.98 0.00 0.25 0.04 0.00 0.00 177.00 176.31 1j5i n THR 4 N 5.91 0.00 -1.87 1.26 -2.24 -0.76 -4.17 114.28 112.41 1j5i n THR 4 Ca 0.15 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.50 1j5i n THR 4 Cb 0.46 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.65 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 -1.27 2.90 -0.05 6.98 0.00 -1.18 -3.61 121.76 125.53 1j5i s ALA 5 Ca 0.00 0.51 -0.13 0.00 0.00 0.00 0.00 51.96 52.33 1j5i s ALA 5 Cb 0.00 -4.01 0.02 0.00 0.00 0.00 0.00 23.12 19.14 1j5i s ALA 5 CO 0.00 -2.55 0.30 0.95 0.00 0.00 0.00 175.76 174.46 1j5i s THR 6 N 7.03 0.04 0.19 0.00 -4.23 -0.12 -4.26 115.64 114.30 1j5i s THR 6 Ca 0.86 -0.34 -0.30 0.00 -1.18 0.00 0.00 61.69 60.73 1j5i s THR 6 Cb -0.27 -0.56 -0.08 0.00 1.34 0.00 0.00 72.50 72.93 1j5i s THR 6 CO 0.34 -0.19 1.14 -0.69 -0.54 0.00 0.00 174.62 174.68 1j5i s VAL 7 N -0.88 3.74 0.16 2.29 1.01 -1.26 -1.76 120.40 123.69 1j5i s VAL 7 Ca -0.10 1.50 -0.30 0.00 0.00 0.00 0.00 61.98 63.08 1j5i s VAL 7 Cb -0.04 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 1j5i s VAL 7 CO 0.03 0.26 1.55 0.74 0.00 0.00 0.00 175.10 177.67 1j5i h THR 8 N 3.71 0.01 -0.78 3.92 2.02 -1.51 -3.18 112.91 117.09 1j5i h THR 8 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1j5i h THR 8 Cb 1.21 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1j5i h THR 8 CO 0.73 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.81 1j5i n PRO 9 N -5.31 0.95 0.00 6.66 -0.04 -1.26 -4.29 135.00 131.71 1j5i n PRO 9 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1j5i n PRO 9 Cb 0.30 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.76 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 -0.10 0.20 -3.16 3.54 7.64 -1.26 -4.85 113.62 115.62 1j5i n SER 10 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 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 -1.20 -3.01 0.00 0.00 175.04 170.83 1j5i n SER 11 N -2.08 5.11 -0.34 6.43 7.64 -1.26 -1.86 113.62 127.25 1j5i n SER 11 Ca 0.00 -2.33 0.36 0.00 1.01 0.00 0.00 58.87 57.92 1j5i n SER 11 Cb 0.05 -1.12 0.73 0.00 -1.01 0.00 0.00 64.21 62.87 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 8.19 0.00 -7.06 0.23 0.00 -1.89 -3.32 103.07 99.22 1j5i h GLY 12 Ca 0.51 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.67 1j5i h GLY 12 CO 1.44 0.00 0.39 1.47 0.00 0.00 0.00 176.54 179.84 1j5i n LEU 13 N -3.99 1.22 -3.70 3.11 -0.00 -0.04 -4.62 117.00 108.98 1j5i n LEU 13 Ca 0.27 -2.21 -0.11 0.00 -0.00 0.00 0.00 56.01 53.96 1j5i n LEU 13 Cb 1.36 -1.39 -0.11 0.00 -0.00 0.00 0.00 43.42 43.28 1j5i n LEU 13 CO 0.38 -3.22 0.01 -0.55 -0.00 0.00 0.00 177.39 174.01 1j5i s SER 14 N 8.11 -0.45 -0.79 1.45 0.15 -1.25 -4.86 113.70 116.06 1j5i s SER 14 Ca 0.78 0.80 -0.11 0.00 0.70 0.00 0.00 55.95 58.12 1j5i s SER 14 Cb 0.01 0.69 -0.25 0.00 -1.71 0.00 0.00 66.02 64.75 1j5i s SER 14 CO 0.23 -0.19 1.80 0.47 1.20 0.00 0.00 173.24 176.76 1j5i n ASP 15 N 4.22 -0.87 -3.82 5.45 8.00 -1.26 -0.85 116.55 127.42 1j5i n ASP 15 Ca -0.24 -0.31 -0.29 0.00 0.71 0.00 0.00 54.79 54.66 1j5i n ASP 15 Cb 0.55 -0.49 0.01 0.00 -0.02 0.00 0.00 41.12 41.17 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j5i n GLY 16 N 4.53 -1.11 3.68 0.44 0.00 -1.22 -4.80 105.19 106.71 1j5i n GLY 16 Ca 0.54 0.50 -0.42 0.00 0.00 0.00 0.00 46.02 46.63 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 -3.12 3.79 -0.33 2.61 2.01 -0.02 -4.49 115.64 116.08 1j5i s THR 17 Ca 0.13 1.10 -0.19 0.00 0.31 0.00 0.00 61.69 63.04 1j5i s THR 17 Cb -0.07 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 1j5i s THR 17 CO 0.86 -0.04 0.55 -0.69 -0.69 0.00 0.00 174.62 174.62 1j5i s VAL 18 N 2.89 4.99 0.06 3.82 1.01 -1.26 -0.61 120.40 131.30 1j5i s VAL 18 Ca 0.64 0.53 0.01 0.00 0.00 0.00 0.00 61.98 63.16 1j5i s VAL 18 Cb -0.30 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.11 1j5i s VAL 18 CO 0.25 -0.18 0.06 1.33 0.00 0.00 0.00 175.10 176.56 1j5i n VAL 19 N 5.42 0.00 -4.90 2.92 0.24 -0.56 -4.97 118.33 116.49 1j5i n VAL 19 Ca -0.04 -0.42 -0.33 0.00 -2.04 0.00 0.00 64.34 61.52 1j5i n VAL 19 Cb 0.49 0.22 -0.15 0.00 -1.47 0.00 0.00 33.84 32.93 1j5i n VAL 19 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1j5i s LYS 20 N -2.22 3.09 -0.42 7.34 -2.85 -1.26 -1.36 119.74 122.05 1j5i s LYS 20 Ca 0.07 -0.73 -0.09 0.00 -1.00 0.00 0.00 55.97 54.22 1j5i s LYS 20 Cb 0.00 -2.50 0.08 0.00 -2.06 0.00 0.00 37.83 33.35 1j5i s LYS 20 CO 0.05 0.31 0.26 0.08 0.10 0.00 0.00 175.35 176.15 1j5i s VAL 21 N 0.08 4.23 -0.05 1.79 1.01 0.17 -1.14 120.40 126.49 1j5i s VAL 21 Ca -0.07 -1.40 -0.22 0.00 0.00 0.00 0.00 61.98 60.29 1j5i s VAL 21 Cb -0.15 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1j5i s VAL 21 CO 0.05 -0.51 0.66 0.00 0.00 0.00 0.00 175.10 175.30 1j5i s ALA 22 N 1.42 3.38 -0.70 5.51 0.00 -0.72 0.15 121.76 130.79 1j5i s ALA 22 Ca 0.03 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.13 1j5i s ALA 22 Cb -0.23 -2.89 0.21 0.00 0.00 0.00 0.00 23.12 20.21 1j5i s ALA 22 CO 0.02 -0.04 0.65 0.41 0.00 0.00 0.00 175.76 176.81 1j5i n GLY 23 N 2.97 4.42 3.71 0.00 0.00 0.25 -0.94 105.19 115.60 1j5i n GLY 23 Ca -0.03 -2.68 -0.42 0.00 0.00 0.00 0.00 46.02 42.89 1j5i n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j5i s ALA 24 N -1.95 3.19 -1.44 4.61 0.00 -1.23 0.06 121.76 125.00 1j5i s ALA 24 Ca 0.32 0.58 -0.07 0.00 0.00 0.00 0.00 51.96 52.79 1j5i s ALA 24 Cb 0.04 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.85 1j5i s ALA 24 CO -0.09 -0.25 0.61 0.41 0.00 0.00 0.00 175.76 176.44 1j5i n GLY 25 N 2.91 -0.51 0.00 0.00 0.00 0.49 -1.83 105.19 106.25 1j5i n GLY 25 Ca 0.06 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.99 0.00 0.19 0.99 -0.00 -0.71 -4.70 117.00 108.79 1j5i n LEU 26 Ca -0.06 0.00 0.15 0.00 -0.00 0.00 0.00 56.01 56.10 1j5i n LEU 26 Cb 0.58 0.00 0.54 0.00 -0.00 0.00 0.00 43.42 44.55 1j5i n LEU 26 CO 0.51 0.00 1.13 -0.61 -0.00 0.00 0.00 177.39 178.42 1j5i h GLN 27 N 0.00 0.00 0.00 1.96 5.75 -1.77 -3.43 115.11 117.61 1j5i h GLN 27 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1j5i h GLN 27 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1j5i h GLN 27 CO 0.00 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 176.18 1j5i n ALA 28 N -1.95 0.00 0.00 3.38 0.00 -1.26 -1.86 120.51 118.82 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 0.77 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 1.09 0.00 0.00 0.00 -1.20 -3.32 105.19 99.75 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 -3.66 2.61 -1.04 -0.78 -4.14 114.28 107.27 1j5i n THR 30 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 1j5i n THR 30 Cb 0.00 -0.40 -0.17 0.00 -1.82 0.00 0.00 70.33 67.93 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 -2.74 0.45 0.09 2.41 0.00 -1.26 -1.62 121.76 119.08 1j5i s ALA 31 Ca 0.00 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 51.86 1j5i s ALA 31 Cb 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 1j5i s ALA 31 CO 0.00 -0.84 -0.13 0.71 0.00 0.00 0.00 175.76 175.50 1j5i s TYR 32 N 2.10 1.21 -0.18 0.00 1.51 -0.17 -4.65 117.35 117.16 1j5i s TYR 32 Ca 0.03 -0.53 -0.13 0.00 -1.01 0.00 0.00 57.07 55.42 1j5i s TYR 32 Cb -0.14 -0.66 -0.05 0.00 -0.11 0.00 0.00 41.96 41.00 1j5i s TYR 32 CO -0.06 0.06 0.28 0.34 -1.11 0.00 0.00 175.55 175.06 1j5i s ASP 33 N -2.09 6.37 0.30 2.29 2.15 0.38 -1.46 116.67 124.61 1j5i s ASP 33 Ca 0.02 0.43 -0.28 0.00 0.43 0.00 0.00 52.55 53.15 1j5i s ASP 33 Cb -0.07 -2.17 -0.09 0.00 -0.30 0.00 0.00 42.92 40.28 1j5i s ASP 33 CO 0.02 0.07 1.03 0.54 -0.17 0.00 0.00 175.17 176.66 1j5i s VAL 34 N 0.70 3.76 0.00 1.11 0.11 -0.70 0.50 120.40 125.88 1j5i s VAL 34 Ca 0.15 1.65 0.00 0.00 -2.93 0.00 0.00 61.98 60.85 1j5i s VAL 34 Cb -0.13 -4.00 0.00 0.00 -1.53 0.00 0.00 36.38 30.72 1j5i s VAL 34 CO 0.04 0.30 0.00 0.61 -3.33 0.00 0.00 175.10 172.72 1j5i n GLY 35 N 1.02 -0.30 3.56 6.54 0.00 -0.17 -1.44 105.19 114.41 1j5i n GLY 35 Ca 0.00 0.80 -0.38 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 2.43 0.12 1.61 -2.07 -1.26 -4.28 119.66 116.21 1j5i s GLN 36 Ca 0.00 1.53 0.04 0.00 -1.82 0.00 0.00 55.36 55.11 1j5i s GLN 36 Cb 0.00 -4.51 -0.04 0.00 -1.09 0.00 0.00 33.01 27.37 1j5i s GLN 36 CO 0.00 -2.91 0.13 0.00 -1.32 0.00 0.00 175.29 171.19 1j5i n ALA 38 N 0.05 0.00 -1.66 0.00 0.00 -0.60 -1.63 120.51 116.67 1j5i n ALA 38 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.20 1j5i n ALA 38 Cb 0.53 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.89 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 1.28 -0.08 0.00 1.48 -1.26 -0.23 118.94 118.14 1j5i s TRP 39 Ca 0.00 1.91 -0.26 0.00 -1.06 0.00 0.00 56.10 56.69 1j5i s TRP 39 Cb 0.00 -3.48 -0.25 0.00 -1.16 0.00 0.00 33.47 28.58 1j5i s TRP 39 CO 0.00 -1.19 0.93 -0.24 -4.06 0.00 0.00 176.95 172.39 1j5i h VAL 40 N 7.15 1.62 -0.13 -0.66 3.04 -1.38 -3.41 116.25 122.48 1j5i h VAL 40 Ca 0.03 -2.13 0.00 0.00 -1.01 0.00 0.00 66.70 63.59 1j5i h VAL 40 Cb 1.00 3.02 0.00 0.00 -2.01 0.00 0.00 31.29 33.29 1j5i h VAL 40 CO 1.04 0.57 0.00 -0.67 -1.01 0.00 0.00 177.57 177.50 1j5i n ASP 41 N -4.51 0.00 -3.42 3.17 4.64 -1.14 -4.82 116.55 110.47 1j5i n ASP 41 Ca -0.10 0.00 -0.40 0.00 -1.38 0.00 0.00 54.79 52.91 1j5i n ASP 41 Cb 0.53 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.59 1j5i n ASP 41 CO 0.00 0.00 0.00 1.07 -0.82 0.00 0.00 177.20 177.45 1j5i n THR 42 N -0.05 4.72 -0.12 5.18 5.66 -1.26 -4.10 114.28 124.31 1j5i n THR 42 Ca 0.00 -3.45 0.00 0.00 -3.05 0.00 0.00 64.05 57.55 1j5i n THR 42 Cb 0.00 -2.36 0.00 0.00 -1.55 0.00 0.00 70.33 66.42 1j5i n THR 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j5i n GLY 43 N 2.72 0.94 3.53 1.09 0.00 -1.26 -5.06 105.19 107.16 1j5i n GLY 43 Ca 0.69 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.00 5.18 -0.90 1.61 1.01 -1.26 -4.90 120.40 119.14 1j5i s VAL 44 Ca 0.00 -0.09 -0.25 0.00 0.00 0.00 0.00 61.98 61.65 1j5i s VAL 44 Cb 0.00 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 1j5i s VAL 44 CO 0.00 -0.13 2.06 -0.22 0.00 0.00 0.00 175.10 176.80 1j5i s LEU 45 N 1.97 3.07 -0.04 3.92 2.96 -1.26 -1.20 118.68 128.10 1j5i s LEU 45 Ca 0.10 -0.59 -0.11 0.00 -0.22 0.00 0.00 54.13 53.31 1j5i s LEU 45 Cb -0.17 -2.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.91 1j5i s LEU 45 CO 0.12 -3.09 0.31 0.00 -1.32 0.00 0.00 176.35 172.37 1j5i s ALA 46 N 11.43 3.77 0.16 5.97 0.00 0.68 -4.60 121.76 139.17 1j5i s ALA 46 Ca 0.75 -0.39 -0.00 0.00 0.00 0.00 0.00 51.96 52.32 1j5i s ALA 46 Cb -0.08 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 1j5i s ALA 46 CO 0.03 0.54 0.34 0.00 0.00 0.00 0.00 175.76 176.67 1j5i s ASN 48 N -2.97 6.39 0.00 0.00 0.02 -0.88 0.47 114.94 117.97 1j5i s ASN 48 Ca 0.37 0.47 0.09 0.00 -1.02 0.00 0.00 52.86 52.77 1j5i s ASN 48 Cb -0.11 -2.24 0.54 0.00 0.02 0.00 0.00 41.25 39.45 1j5i s ASN 48 CO 0.28 -0.17 1.14 -0.81 0.02 0.00 0.00 177.10 177.56 1j5i n PRO 49 N 4.99 0.75 -0.11 -0.60 -0.04 -1.25 -1.87 135.00 136.86 1j5i n PRO 49 Ca -0.07 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.48 1j5i n PRO 49 Cb 0.51 -1.19 0.14 0.00 -0.04 0.00 0.00 33.50 32.92 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 -0.69 2.39 -0.91 0.55 0.00 -1.26 -4.18 120.51 116.41 1j5i n ALA 50 Ca 0.07 -0.88 0.03 0.00 0.00 0.00 0.00 53.44 52.66 1j5i n ALA 50 Cb 0.03 -0.62 0.05 0.00 0.00 0.00 0.00 19.45 18.91 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 1.01 1.41 -4.59 0.00 -0.08 -0.78 -4.44 116.55 109.08 1j5i n ASP 51 Ca 0.13 -2.21 -0.43 0.00 -1.51 0.00 0.00 54.79 50.77 1j5i n ASP 51 Cb 0.47 -0.19 -0.03 0.00 2.34 0.00 0.00 41.12 43.71 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 -1.30 2.94 -0.30 -0.67 0.40 -1.21 -2.16 117.98 115.68 1j5i s PHE 52 Ca 0.11 0.65 0.03 0.00 -0.60 0.00 0.00 56.93 57.12 1j5i s PHE 52 Cb 0.10 -4.04 0.17 0.00 0.51 0.00 0.00 43.02 39.76 1j5i s PHE 52 CO 0.01 -1.07 0.43 0.45 0.70 0.00 0.00 175.22 175.74 1j5i s SER 53 N 2.20 0.16 0.23 1.36 0.15 -0.52 -4.96 113.70 112.31 1j5i s SER 53 Ca 0.42 -0.41 -0.32 0.00 0.70 0.00 0.00 55.95 56.34 1j5i s SER 53 Cb -0.10 1.20 -0.12 0.00 -1.71 0.00 0.00 66.02 65.29 1j5i s SER 53 CO 0.26 -0.34 1.64 -1.54 1.20 0.00 0.00 173.24 174.45 1j5i n SER 54 N 5.27 3.74 -3.83 5.45 3.41 -1.26 -1.72 113.62 124.68 1j5i n SER 54 Ca 0.02 1.10 -0.10 0.00 -0.26 0.00 0.00 58.87 59.64 1j5i n SER 54 Cb 0.50 -1.55 -0.05 0.00 -0.26 0.00 0.00 64.21 62.85 1j5i n SER 54 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1j5i s VAL 55 N 0.63 0.04 0.20 -3.33 1.01 -0.54 -4.89 120.40 113.52 1j5i s VAL 55 Ca 0.71 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1j5i s VAL 55 Cb -0.54 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 1j5i s VAL 55 CO 0.40 -0.19 -0.06 -0.89 0.00 0.00 0.00 175.10 174.36 1j5i s THR 56 N -3.91 1.17 0.15 3.92 2.01 -1.26 -1.00 115.64 116.73 1j5i s THR 56 Ca 0.12 -2.06 0.06 0.00 0.31 0.00 0.00 61.69 60.12 1j5i s THR 56 Cb 0.01 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 1j5i s THR 56 CO -0.02 -0.52 0.08 0.00 -0.69 0.00 0.00 174.62 173.47 1j5i s ALA 57 N -3.33 3.43 0.64 7.40 0.00 -0.64 -4.30 121.76 124.96 1j5i s ALA 57 Ca 0.23 -1.24 -0.12 0.00 0.00 0.00 0.00 51.96 50.84 1j5i s ALA 57 Cb 0.04 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 1j5i s ALA 57 CO 0.05 0.53 1.04 -0.51 0.00 0.00 0.00 175.76 176.88 1j5i s ASP 58 N -2.93 5.86 0.59 0.00 1.01 0.15 -4.07 116.67 117.27 1j5i s ASP 58 Ca 0.29 1.55 0.35 0.00 0.71 0.00 0.00 52.55 55.46 1j5i s ASP 58 Cb -0.10 -2.49 1.28 0.00 1.01 0.00 0.00 42.92 42.62 1j5i s ASP 58 CO 0.21 -1.12 1.48 0.00 0.21 0.00 0.00 175.17 175.96 1j5i h ALA 59 N -0.32 3.19 -0.41 5.23 0.00 -1.84 2.89 119.26 128.00 1j5i h ALA 59 Ca -0.44 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.20 1j5i h ALA 59 Cb 1.20 0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.96 1j5i h ALA 59 CO 0.59 -1.84 0.29 -1.71 0.00 0.00 0.00 179.25 176.58 1j5i n ASN 60 N -3.57 3.98 -4.31 0.00 2.85 -1.26 -4.60 115.26 108.34 1j5i n ASN 60 Ca 0.29 -2.72 -0.35 0.00 -0.11 0.00 0.00 54.58 51.68 1j5i n ASN 60 Cb 1.58 -0.73 -0.06 0.00 1.24 0.00 0.00 39.78 41.80 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 -0.01 -0.31 3.17 8.20 0.00 0.96 -3.72 105.19 113.48 1j5i n GLY 61 Ca 0.25 0.13 -0.38 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.74 5.41 -0.64 1.61 0.01 -0.99 0.19 113.70 115.54 1j5i s SER 62 Ca 0.46 -1.85 -0.10 0.00 1.31 0.00 0.00 55.95 55.78 1j5i s SER 62 Cb -0.26 -1.89 0.17 0.00 0.21 0.00 0.00 66.02 64.24 1j5i s SER 62 CO 0.97 -0.56 0.53 0.00 0.41 0.00 0.00 173.24 174.59 1j5i s ALA 63 N 1.25 3.71 -0.94 1.44 0.00 0.11 0.31 121.76 127.63 1j5i s ALA 63 Ca 0.06 -3.01 -0.15 0.00 0.00 0.00 0.00 51.96 48.85 1j5i s ALA 63 Cb -0.23 -3.05 0.19 0.00 0.00 0.00 0.00 23.12 20.02 1j5i s ALA 63 CO -0.02 -2.10 1.02 -1.54 0.00 0.00 0.00 175.76 173.12 1j5i s SER 64 N 2.01 6.82 -0.26 0.00 1.04 -1.25 0.88 113.70 122.94 1j5i s SER 64 Ca 0.13 -2.60 -0.08 0.00 0.48 0.00 0.00 55.95 53.89 1j5i s SER 64 Cb -0.19 -2.30 -0.03 0.00 0.10 0.00 0.00 66.02 63.60 1j5i s SER 64 CO -0.04 -0.74 0.08 0.28 0.98 0.00 0.00 173.24 173.80 1j5i s THR 65 N 1.09 4.36 -0.13 2.02 -1.32 0.12 -4.86 115.64 116.92 1j5i s THR 65 Ca 0.28 -0.21 -0.06 0.00 -1.21 0.00 0.00 61.69 60.49 1j5i s THR 65 Cb -0.07 -3.07 -0.04 0.00 -1.51 0.00 0.00 72.50 67.81 1j5i s THR 65 CO -0.08 0.30 0.08 -0.94 -2.21 0.00 0.00 174.62 171.76 1j5i s SER 66 N 1.61 5.84 0.19 8.08 1.04 -1.26 0.45 113.70 129.66 1j5i s SER 66 Ca 0.06 0.25 -0.22 0.00 0.48 0.00 0.00 55.95 56.53 1j5i s SER 66 Cb -0.15 -1.88 0.08 0.00 0.10 0.00 0.00 66.02 64.16 1j5i s SER 66 CO 0.04 0.32 1.04 -0.22 0.98 0.00 0.00 173.24 175.40 1j5i s LEU 67 N -0.49 0.02 -0.11 2.42 1.98 -0.47 -4.95 118.68 117.08 1j5i s LEU 67 Ca 0.11 -0.71 -0.06 0.00 -2.89 0.00 0.00 54.13 50.57 1j5i s LEU 67 Cb -0.12 2.10 -0.04 0.00 0.66 0.00 0.00 46.19 48.79 1j5i s LEU 67 CO 0.02 -1.02 0.10 0.28 -1.89 0.00 0.00 176.35 173.84 1j5i s THR 68 N -2.06 5.15 -0.99 3.68 -1.32 -1.26 -1.49 115.64 117.35 1j5i s THR 68 Ca 0.23 0.07 -0.19 0.00 -1.21 0.00 0.00 61.69 60.60 1j5i s THR 68 Cb -0.03 -3.23 0.12 0.00 -1.51 0.00 0.00 72.50 67.85 1j5i s THR 68 CO 0.06 0.61 1.22 0.54 -2.21 0.00 0.00 174.62 174.84 1j5i s VAL 69 N -0.91 4.65 -0.63 5.08 0.11 0.22 -4.60 120.40 124.33 1j5i s VAL 69 Ca 0.14 -1.62 -0.22 0.00 -2.93 0.00 0.00 61.98 57.35 1j5i s VAL 69 Cb -0.12 -4.84 0.07 0.00 -1.53 0.00 0.00 36.38 29.96 1j5i s VAL 69 CO 0.03 -1.59 0.92 -0.13 -3.33 0.00 0.00 175.10 171.00 1j5i s ARG 70 N 2.88 3.13 0.28 1.54 0.52 -1.26 -3.37 118.95 122.68 1j5i s ARG 70 Ca 0.36 -0.81 0.17 0.00 -0.52 0.00 0.00 55.73 54.93 1j5i s ARG 70 Cb -0.04 -4.20 0.09 0.00 0.52 0.00 0.00 34.95 31.32 1j5i s ARG 70 CO -0.08 -1.72 1.40 -0.09 0.02 0.00 0.00 175.30 174.84 1j5i h ARG 71 N 9.47 0.00 -4.87 3.54 2.43 -1.89 -3.42 114.38 119.64 1j5i h ARG 71 Ca -0.28 0.00 -0.69 0.00 -0.81 0.00 0.00 59.98 58.19 1j5i h ARG 71 Cb 1.07 0.00 -0.19 0.00 -0.42 0.00 0.00 29.97 30.44 1j5i h ARG 71 CO 1.15 0.39 -0.03 -1.54 -1.51 0.00 0.00 179.97 178.43 1j5i s SER 72 N -6.33 6.21 0.00 -3.80 1.04 -1.22 0.33 113.70 109.94 1j5i s SER 72 Ca 0.04 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.54 1j5i s SER 72 Cb 0.07 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.92 1j5i s SER 72 CO 0.74 -0.82 0.00 0.33 0.98 0.00 0.00 173.24 174.47 1j5i n PHE 73 N 5.97 0.00 -2.67 5.02 7.35 0.83 -4.85 117.46 129.12 1j5i n PHE 73 Ca -0.07 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.20 1j5i n PHE 73 Cb 0.45 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.26 1j5i n PHE 73 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1j5i s GLU 74 N -2.00 4.49 0.60 -4.13 2.12 -1.25 -0.37 118.70 118.15 1j5i s GLU 74 Ca 0.00 1.45 -0.10 0.00 0.36 0.00 0.00 54.97 56.68 1j5i s GLU 74 Cb 0.00 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 1j5i s GLU 74 CO 0.00 -0.18 0.99 0.20 -0.54 0.00 0.00 175.26 175.73 1j5i s GLY 75 N 1.07 1.63 -0.33 -1.50 0.00 0.14 -3.95 107.32 104.38 1j5i s GLY 75 Ca 0.52 -0.17 0.02 0.00 0.00 0.00 0.00 44.72 45.08 1j5i s GLY 75 CO 0.24 0.08 0.03 -1.36 0.00 0.00 0.00 173.10 172.10 1j5i s PHE 76 N -3.10 3.56 0.85 1.90 0.40 0.18 -1.58 117.98 120.18 1j5i s PHE 76 Ca 0.54 -2.60 -0.10 0.00 -0.60 0.00 0.00 56.93 54.16 1j5i s PHE 76 Cb -0.11 -2.65 0.15 0.00 0.51 0.00 0.00 43.02 40.92 1j5i s PHE 76 CO 0.52 -0.92 1.18 -0.51 0.70 0.00 0.00 175.22 176.19 1j5i s LEU 77 N 1.03 2.78 -0.07 -0.37 1.02 -0.11 -1.52 118.68 121.44 1j5i s LEU 77 Ca 0.04 0.18 0.06 0.00 0.02 0.00 0.00 54.13 54.43 1j5i s LEU 77 Cb -0.20 -2.44 -0.24 0.00 0.02 0.00 0.00 46.19 43.33 1j5i s LEU 77 CO -0.06 -2.26 0.56 0.33 0.02 0.00 0.00 176.35 174.95 1j5i n PHE 78 N -3.36 1.10 -0.02 0.29 7.35 -1.26 -1.87 117.46 119.69 1j5i n PHE 78 Ca 0.13 0.33 0.02 0.00 -0.76 0.00 0.00 57.45 57.18 1j5i n PHE 78 Cb 0.60 -1.18 -0.14 0.00 0.35 0.00 0.00 39.48 39.11 1j5i n PHE 78 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1j5i n ASP 79 N -3.20 0.23 -3.05 -2.13 2.03 -1.26 -4.58 116.55 104.59 1j5i n ASP 79 Ca -0.22 0.10 -0.15 0.00 0.52 0.00 0.00 54.79 55.03 1j5i n ASP 79 Cb 1.05 1.22 -0.00 0.00 -0.72 0.00 0.00 41.12 42.66 1j5i n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j5i n GLY 80 N 1.43 2.91 0.00 0.27 0.00 -1.26 -5.05 105.19 103.49 1j5i n GLY 80 Ca -0.14 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1j5i n GLY 80 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1j5i n THR 81 N 0.22 0.00 -1.46 2.61 5.66 -0.78 -2.66 114.28 117.87 1j5i n THR 81 Ca 0.20 0.08 -0.13 0.00 -3.05 0.00 0.00 64.05 61.16 1j5i n THR 81 Cb 0.69 -0.22 -0.10 0.00 -1.55 0.00 0.00 70.33 69.15 1j5i n THR 81 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1j5i n ARG 82 N 0.00 0.21 0.00 1.09 1.85 -1.26 -0.94 116.66 117.62 1j5i n ARG 82 Ca 0.00 -0.85 0.00 0.00 -1.00 0.00 0.00 57.85 56.00 1j5i n ARG 82 Cb 0.00 -2.87 0.00 0.00 -1.05 0.00 0.00 32.46 28.54 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 14.56 0.00 0.00 2.89 -0.00 -0.61 -4.99 117.44 129.28 1j5i n TRP 83 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.91 1j5i n TRP 83 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.72 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 2.87 -0.73 4.11 5.87 0.00 -1.25 -4.85 105.19 111.21 1j5i n GLY 84 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 0.24 114.28 114.82 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 -1.88 12.58 0.31 0.50 -4.66 118.33 125.18 1j5i n VAL 86 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1j5i n VAL 86 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 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 5.43 -1.31 4.52 2.15 -1.25 -0.12 116.67 122.09 1j5i s ASP 87 Ca 0.00 1.11 -0.07 0.00 0.43 0.00 0.00 52.55 54.02 1j5i s ASP 87 Cb 0.00 -2.52 0.13 0.00 -0.30 0.00 0.00 42.92 40.23 1j5i s ASP 87 CO 0.00 -2.11 2.18 0.00 -0.17 0.00 0.00 175.17 175.08 1j5i n THR 89 N 2.47 0.00 -0.08 0.00 5.66 -1.26 -4.29 114.28 116.78 1j5i n THR 89 Ca 0.53 -0.16 -0.10 0.00 -3.05 0.00 0.00 64.05 61.27 1j5i n THR 89 Cb 0.30 1.07 -0.05 0.00 -1.55 0.00 0.00 70.33 70.10 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 0.65 0.30 -3.13 1.09 2.02 -1.91 -3.43 112.91 108.49 1j5i h THR 90 Ca 0.00 -1.37 -0.59 0.00 0.77 0.00 0.00 66.41 65.22 1j5i h THR 90 Cb 0.47 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 1j5i h THR 90 CO 0.00 0.10 -0.13 0.00 0.37 0.00 0.00 175.52 175.86 1j5i s ALA 91 N -2.61 3.63 -0.24 6.16 0.00 -1.26 -5.02 121.76 122.43 1j5i s ALA 91 Ca -0.18 -0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.38 1j5i s ALA 91 Cb 0.03 -2.51 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 1j5i s ALA 91 CO 0.32 0.40 1.56 0.00 0.00 0.00 0.00 175.76 178.05 1j5i s ALA 92 N -0.94 3.28 -0.14 0.00 0.00 -1.26 -4.91 121.76 117.79 1j5i s ALA 92 Ca 0.26 0.39 -0.25 0.00 0.00 0.00 0.00 51.96 52.36 1j5i s ALA 92 Cb -0.18 -3.84 -0.02 0.00 0.00 0.00 0.00 23.12 19.08 1j5i s ALA 92 CO 0.15 -1.94 0.81 0.00 0.00 0.00 0.00 175.76 174.78 1j5i s GLN 94 N 1.84 3.64 -0.10 0.00 -2.07 -0.65 -1.72 119.66 120.60 1j5i s GLN 94 Ca 0.39 -0.50 -0.21 0.00 -1.82 0.00 0.00 55.36 53.22 1j5i s GLN 94 Cb -0.17 -3.42 -0.04 0.00 -1.09 0.00 0.00 33.01 28.29 1j5i s GLN 94 CO 0.14 -0.23 0.60 0.08 -1.32 0.00 0.00 175.29 174.56 1j5i s VAL 95 N 1.64 5.11 0.07 3.63 1.01 0.43 -1.05 120.40 131.23 1j5i s VAL 95 Ca 0.06 1.21 -0.27 0.00 0.00 0.00 0.00 61.98 62.99 1j5i s VAL 95 Cb -0.16 -3.94 0.09 0.00 0.00 0.00 0.00 36.38 32.38 1j5i s VAL 95 CO 0.05 0.28 1.15 -0.83 0.00 0.00 0.00 175.10 175.74 1j5i s GLY 96 N 0.75 -0.20 -0.23 4.51 0.00 -1.26 -0.40 107.32 110.49 1j5i s GLY 96 Ca 0.32 0.21 -0.08 0.00 0.00 0.00 0.00 44.72 45.16 1j5i s GLY 96 CO 0.14 1.46 0.10 1.08 0.00 0.00 0.00 173.10 175.88 1j5i s LEU 97 N -3.20 3.78 0.30 0.66 1.43 -1.19 -1.00 118.68 119.46 1j5i s LEU 97 Ca 0.18 -0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.34 1j5i s LEU 97 Cb 0.01 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 1j5i s LEU 97 CO 0.00 0.06 0.28 -0.94 0.23 0.00 0.00 176.35 175.98 1j5i s SER 98 N 1.05 5.50 0.35 2.29 1.04 0.18 -3.96 113.70 120.16 1j5i s SER 98 Ca 0.05 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.16 1j5i s SER 98 Cb -0.14 -1.21 -0.02 0.00 0.10 0.00 0.00 66.02 64.74 1j5i s SER 98 CO 0.04 -0.22 0.54 1.51 0.98 0.00 0.00 173.24 176.09 1j5i s ASP 99 N -3.95 6.18 -0.08 7.02 1.47 -1.26 0.14 116.67 126.19 1j5i s ASP 99 Ca 0.38 0.32 0.08 0.00 1.18 0.00 0.00 52.55 54.52 1j5i s ASP 99 Cb -0.07 -1.85 0.38 0.00 -0.34 0.00 0.00 42.92 41.04 1j5i s ASP 99 CO 0.26 -0.36 1.17 0.00 0.68 0.00 0.00 175.17 176.93 1j5i n ALA 100 N -1.79 2.94 -0.04 2.11 0.00 -1.26 -3.42 120.51 119.05 1j5i n ALA 100 Ca -0.04 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1j5i n ALA 100 Cb 0.57 -1.03 -0.12 0.00 0.00 0.00 0.00 19.45 18.87 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 0.40 2.11 -0.78 0.00 0.00 -1.26 -5.03 120.51 115.95 1j5i n ALA 101 Ca 0.13 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1j5i n ALA 101 Cb 0.58 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 1.87 0.66 3.47 0.00 0.00 -1.22 -5.11 105.19 104.86 1j5i n GLY 102 Ca -0.13 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.11 3.82 -0.81 1.61 -0.87 -1.26 -5.00 114.94 110.31 1j5i s ASN 103 Ca 0.00 -0.52 -0.22 0.00 -1.57 0.00 0.00 52.86 50.55 1j5i s ASN 103 Cb 0.00 -0.55 -0.20 0.00 -0.02 0.00 0.00 41.25 40.48 1j5i s ASN 103 CO 0.00 0.21 2.10 0.61 -2.57 0.00 0.00 177.10 177.45 1j5i n GLY 104 N 1.10 -0.40 3.76 0.66 0.00 -1.26 -4.56 105.19 104.49 1j5i n GLY 104 Ca -0.16 0.76 -0.40 0.00 0.00 0.00 0.00 46.02 46.22 1j5i n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j5i s PRO 105 N 6.99 4.66 -0.35 1.61 0.04 -1.26 -5.00 135.00 141.68 1j5i s PRO 105 Ca 1.10 1.76 -0.20 0.00 0.04 0.00 0.00 61.00 63.70 1j5i s PRO 105 Cb -0.96 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 30.39 1j5i s PRO 105 CO 0.41 0.24 0.62 -1.21 0.04 0.00 0.00 177.00 177.10 1j5i s GLU 106 N -1.43 3.68 0.04 4.56 8.01 -1.25 -5.01 118.70 127.29 1j5i s GLU 106 Ca 0.44 0.04 0.01 0.00 0.01 0.00 0.00 54.97 55.48 1j5i s GLU 106 Cb -0.31 -3.80 -0.02 0.00 -4.31 0.00 0.00 34.13 25.68 1j5i s GLU 106 CO 0.40 -0.72 -0.06 0.20 0.01 0.00 0.00 175.26 175.09 1j5i s GLY 107 N 1.78 0.43 -0.16 -1.39 0.00 -1.26 -3.19 107.32 103.52 1j5i s GLY 107 Ca 0.24 -0.73 -0.06 0.00 0.00 0.00 0.00 44.72 44.17 1j5i s GLY 107 CO 0.14 -0.78 0.04 0.54 0.00 0.00 0.00 173.10 173.04 1j5i s VAL 108 N -1.47 4.63 -0.71 1.40 0.11 0.46 -4.78 120.40 120.04 1j5i s VAL 108 Ca -0.11 -0.10 -0.26 0.00 -2.93 0.00 0.00 61.98 58.58 1j5i s VAL 108 Cb -0.10 -3.06 -0.01 0.00 -1.53 0.00 0.00 36.38 31.68 1j5i s VAL 108 CO -0.00 0.49 1.73 0.00 -3.33 0.00 0.00 175.10 173.98 1j5i s ALA 109 N 0.15 2.24 0.72 1.54 0.00 -1.26 -0.43 121.76 124.73 1j5i s ALA 109 Ca 0.04 -1.05 -0.13 0.00 0.00 0.00 0.00 51.96 50.82 1j5i s ALA 109 Cb -0.12 -4.35 0.03 0.00 0.00 0.00 0.00 23.12 18.68 1j5i s ALA 109 CO 0.01 -3.90 1.11 -1.50 0.00 0.00 0.00 175.76 171.47 1j5i s ILE 110 N 8.28 3.21 -0.26 0.00 1.10 -0.70 -4.80 121.20 128.02 1j5i s ILE 110 Ca 0.59 0.48 -0.24 0.00 -0.51 0.00 0.00 60.65 60.97 1j5i s ILE 110 Cb -0.10 -2.97 -0.26 0.00 0.15 0.00 0.00 42.46 39.29 1j5i s ILE 110 CO 0.14 -0.43 1.64 -0.24 -2.11 0.00 0.00 174.94 173.94 1j5i n SER 111 N -2.99 1.51 -4.61 4.50 2.88 -0.78 -4.52 113.62 109.60 1j5i n SER 111 Ca 0.10 -2.48 -0.42 0.00 -1.33 0.00 0.00 58.87 54.74 1j5i n SER 111 Cb 0.52 -0.70 0.01 0.00 -0.75 0.00 0.00 64.21 63.29 1j5i n SER 111 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1j5i n PHE 112 N 7.87 1.28 0.00 0.66 -1.74 -1.26 -0.86 117.46 123.42 1j5i n PHE 112 Ca 0.42 0.58 0.00 0.00 -0.56 0.00 0.00 57.45 57.89 1j5i n PHE 112 Cb 0.35 -2.25 0.00 0.00 1.52 0.00 0.00 39.48 39.10 1j5i n PHE 112 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29