#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 -5.04 120.51 111.88 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 3.34 0.41 0.00 0.04 -1.26 -3.55 135.00 133.98 1j5i s PRO 3 Ca 0.00 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1j5i s PRO 3 Cb 0.00 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1j5i s PRO 3 CO 0.00 -1.87 0.00 0.25 0.04 0.00 0.00 177.00 175.42 1j5i n THR 4 N 6.98 0.00 -1.57 1.26 -2.24 -0.99 -4.30 114.28 113.43 1j5i n THR 4 Ca 0.15 0.00 -0.51 0.00 -2.27 0.00 0.00 64.05 61.42 1j5i n THR 4 Cb 0.49 -0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.58 1j5i n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j5i n ALA 5 N -0.53 0.84 -3.25 6.98 0.00 -1.26 -3.94 120.51 119.36 1j5i n ALA 5 Ca 0.00 0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.42 1j5i n ALA 5 Cb 0.11 -2.50 -0.12 0.00 0.00 0.00 0.00 19.45 16.94 1j5i n ALA 5 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1j5i s THR 6 N 5.85 -0.01 -0.33 0.00 -4.23 0.34 -4.24 115.64 113.01 1j5i s THR 6 Ca 1.03 0.03 -0.06 0.00 -1.18 0.00 0.00 61.69 61.50 1j5i s THR 6 Cb -0.82 -0.36 0.04 0.00 1.34 0.00 0.00 72.50 72.70 1j5i s THR 6 CO 0.52 0.01 0.10 0.54 -0.54 0.00 0.00 174.62 175.25 1j5i s VAL 7 N 0.35 3.76 0.24 2.29 0.11 -1.26 -0.97 120.40 124.92 1j5i s VAL 7 Ca -0.02 -1.11 0.00 0.00 -2.93 0.00 0.00 61.98 57.92 1j5i s VAL 7 Cb -0.03 -3.12 0.00 0.00 -1.53 0.00 0.00 36.38 31.70 1j5i s VAL 7 CO -0.01 -0.15 0.00 1.07 -3.33 0.00 0.00 175.10 172.67 1j5i n THR 8 N 4.81 -0.10 -0.01 5.04 5.66 -0.75 -4.44 114.28 124.49 1j5i n THR 8 Ca -0.13 0.27 -0.17 0.00 -3.05 0.00 0.00 64.05 60.98 1j5i n THR 8 Cb 0.45 -0.49 -0.10 0.00 -1.55 0.00 0.00 70.33 68.63 1j5i n THR 8 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1j5i h PRO 9 N -1.19 0.40 0.00 1.09 0.13 -1.95 -3.39 132.00 127.10 1j5i h PRO 9 Ca -0.05 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1j5i h PRO 9 Cb 1.05 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1j5i h PRO 9 CO 0.03 1.05 0.00 -1.13 -0.23 0.00 0.00 178.00 177.72 1j5i n SER 10 N -4.27 0.00 -1.51 1.44 3.41 -1.26 -4.11 113.62 107.33 1j5i n SER 10 Ca -0.10 0.07 0.04 0.00 -0.26 0.00 0.00 58.87 58.62 1j5i n SER 10 Cb 0.62 -0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 64.31 1j5i n SER 10 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1j5i n SER 11 N -1.77 -7.55 0.00 4.04 7.64 -1.26 -1.76 113.62 112.96 1j5i n SER 11 Ca 0.00 1.62 0.00 0.00 1.01 0.00 0.00 58.87 61.50 1j5i n SER 11 Cb 0.00 -4.79 0.00 0.00 -1.01 0.00 0.00 64.21 58.41 1j5i n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j5i n GLY 12 N -2.96 1.24 0.35 0.23 0.00 -1.25 0.03 105.19 102.83 1j5i n GLY 12 Ca -0.02 -0.09 0.30 0.00 0.00 0.00 0.00 46.02 46.21 1j5i n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j5i n LEU 13 N 0.00 0.17 -4.01 0.99 4.77 0.23 -3.54 117.00 115.61 1j5i n LEU 13 Ca 0.00 1.08 -0.28 0.00 -0.03 0.00 0.00 56.01 56.78 1j5i n LEU 13 Cb 0.00 -0.53 -0.17 0.00 -2.33 0.00 0.00 43.42 40.39 1j5i n LEU 13 CO 0.00 -1.17 -0.48 -0.55 -1.33 0.00 0.00 177.39 173.86 1j5i s SER 14 N -4.37 2.37 -0.44 -1.43 0.15 -1.26 -5.03 113.70 103.70 1j5i s SER 14 Ca -0.06 -0.40 -0.27 0.00 0.70 0.00 0.00 55.95 55.92 1j5i s SER 14 Cb 0.24 -1.03 -0.28 0.00 -1.71 0.00 0.00 66.02 63.24 1j5i s SER 14 CO 0.62 -0.03 1.77 -0.90 1.20 0.00 0.00 173.24 175.91 1j5i n ASP 15 N 4.47 1.64 0.00 5.45 5.75 -1.23 -1.13 116.55 131.50 1j5i n ASP 15 Ca -0.17 -2.57 0.00 0.00 -0.01 0.00 0.00 54.79 52.04 1j5i n ASP 15 Cb 0.51 -0.91 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j5i n GLY 16 N 5.04 0.12 3.57 6.12 0.00 -0.16 -4.70 105.19 115.18 1j5i n GLY 16 Ca 0.47 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.17 4.52 -0.14 2.61 2.01 -0.28 -4.71 115.64 119.48 1j5i s THR 17 Ca 0.00 0.76 -0.29 0.00 0.31 0.00 0.00 61.69 62.46 1j5i s THR 17 Cb 0.00 -4.40 -0.02 0.00 0.01 0.00 0.00 72.50 68.09 1j5i s THR 17 CO 0.00 -0.77 1.24 -0.69 -0.69 0.00 0.00 174.62 173.71 1j5i s VAL 18 N 3.64 4.29 0.03 3.82 1.01 -1.26 0.25 120.40 132.17 1j5i s VAL 18 Ca 0.36 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.91 1j5i s VAL 18 Cb -0.11 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 1j5i s VAL 18 CO 0.25 -0.10 0.04 1.33 0.00 0.00 0.00 175.10 176.61 1j5i n VAL 19 N 5.17 0.00 -4.86 2.92 0.24 -0.07 -4.97 118.33 116.76 1j5i n VAL 19 Ca 0.13 -0.16 -0.33 0.00 -2.04 0.00 0.00 64.34 61.94 1j5i n VAL 19 Cb 0.45 0.09 -0.14 0.00 -1.47 0.00 0.00 33.84 32.78 1j5i n VAL 19 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1j5i s LYS 20 N -2.08 2.81 -0.95 7.34 2.20 -1.26 -1.67 119.74 126.14 1j5i s LYS 20 Ca 0.03 -0.70 -0.03 0.00 -0.36 0.00 0.00 55.97 54.91 1j5i s LYS 20 Cb -0.00 -2.46 0.23 0.00 -1.51 0.00 0.00 37.83 34.09 1j5i s LYS 20 CO 0.02 0.48 0.86 0.28 -0.36 0.00 0.00 175.35 176.62 1j5i n VAL 21 N 2.74 3.35 -3.22 4.02 0.31 0.19 -1.81 118.33 123.91 1j5i n VAL 21 Ca -0.18 -5.18 -0.39 0.00 -0.01 0.00 0.00 64.34 58.59 1j5i n VAL 21 Cb 0.52 -2.42 -0.06 0.00 -0.91 0.00 0.00 33.84 30.98 1j5i n VAL 21 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1j5i s ALA 22 N -1.39 3.51 -0.33 3.52 0.00 -0.14 -1.30 121.76 125.63 1j5i s ALA 22 Ca 0.29 0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.26 1j5i s ALA 22 Cb -0.07 -2.72 0.11 0.00 0.00 0.00 0.00 23.12 20.44 1j5i s ALA 22 CO -0.12 0.21 0.13 0.20 0.00 0.00 0.00 175.76 176.19 1j5i s GLY 23 N -0.37 0.99 -0.23 0.00 0.00 0.11 -0.50 107.32 107.31 1j5i s GLY 23 Ca 0.31 -1.67 -0.10 0.00 0.00 0.00 0.00 44.72 43.26 1j5i s GLY 23 CO 0.17 1.76 0.14 0.00 0.00 0.00 0.00 173.10 175.18 1j5i s ALA 24 N 1.52 3.54 0.00 3.20 0.00 -1.21 -0.17 121.76 128.64 1j5i s ALA 24 Ca 0.11 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1j5i s ALA 24 Cb -0.18 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.68 1j5i s ALA 24 CO -0.22 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.77 1j5i n GLY 25 N 4.26 0.91 0.00 0.00 0.00 0.14 -2.34 105.19 108.16 1j5i n GLY 25 Ca -0.15 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 0.00 -4.58 0.99 -0.00 -0.79 -4.87 117.00 107.76 1j5i n LEU 26 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.68 1j5i n LEU 26 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 1j5i n LEU 26 CO 0.00 0.00 1.60 -1.10 -0.00 0.00 0.00 177.39 177.89 1j5i s GLN 27 N 2.51 2.95 -0.11 1.96 1.11 -1.26 -4.67 119.66 122.15 1j5i s GLN 27 Ca 0.00 -1.25 -0.29 0.00 0.01 0.00 0.00 55.36 53.83 1j5i s GLN 27 Cb 0.00 -5.30 -0.05 0.00 -1.01 0.00 0.00 33.01 26.65 1j5i s GLN 27 CO 0.00 -3.35 1.76 0.00 0.01 0.00 0.00 175.29 173.71 1j5i s ALA 28 N 8.79 3.41 0.00 6.09 0.00 -1.26 -1.19 121.76 137.59 1j5i s ALA 28 Ca 0.63 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1j5i s ALA 28 Cb -0.00 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.29 1j5i s ALA 28 CO 0.08 -1.75 0.00 0.41 0.00 0.00 0.00 175.76 174.50 1j5i n GLY 29 N 4.54 3.32 4.00 0.00 0.00 -1.03 -4.84 105.19 111.18 1j5i n GLY 29 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.34 2.02 0.03 2.61 -4.23 -0.33 -4.90 115.64 108.50 1j5i s THR 30 Ca 0.00 -0.57 -0.08 0.00 -1.18 0.00 0.00 61.69 59.87 1j5i s THR 30 Cb 0.00 -2.46 -0.00 0.00 1.34 0.00 0.00 72.50 71.38 1j5i s THR 30 CO 0.00 0.00 0.15 0.00 -0.54 0.00 0.00 174.62 174.23 1j5i s ALA 31 N -3.25 -0.27 0.00 3.99 0.00 -1.26 -1.92 121.76 119.05 1j5i s ALA 31 Ca 0.69 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1j5i s ALA 31 Cb -0.04 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1j5i s ALA 31 CO 0.46 -0.30 0.00 2.48 0.00 0.00 0.00 175.76 178.39 1j5i n TYR 32 N 0.93 -0.45 -4.02 0.00 0.18 0.12 -4.30 117.16 109.62 1j5i n TYR 32 Ca -0.20 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.28 1j5i n TYR 32 Cb 0.58 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 39.37 1j5i n TYR 32 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1j5i s ASP 33 N -0.75 2.73 -0.10 9.48 -0.00 0.11 -0.87 116.67 127.26 1j5i s ASP 33 Ca 0.00 -0.51 -0.30 0.00 -0.00 0.00 0.00 52.55 51.74 1j5i s ASP 33 Cb 0.00 -1.18 -0.03 0.00 -0.00 0.00 0.00 42.92 41.71 1j5i s ASP 33 CO 0.00 -0.06 1.32 0.54 -0.00 0.00 0.00 175.17 176.97 1j5i s VAL 34 N 1.48 4.10 -0.30 -1.27 0.11 -0.68 -1.46 120.40 122.38 1j5i s VAL 34 Ca 0.05 1.37 -0.11 0.00 -2.93 0.00 0.00 61.98 60.36 1j5i s VAL 34 Cb -0.13 -3.88 0.15 0.00 -1.53 0.00 0.00 36.38 30.98 1j5i s VAL 34 CO -0.11 -0.08 0.77 -0.83 -3.33 0.00 0.00 175.10 171.53 1j5i s GLY 35 N 2.05 -0.55 -0.83 6.54 0.00 0.44 -0.18 107.32 114.78 1j5i s GLY 35 Ca 0.59 2.57 -0.21 0.00 0.00 0.00 0.00 44.72 47.67 1j5i s GLY 35 CO 0.20 3.17 2.19 -1.06 0.00 0.00 0.00 173.10 177.60 1j5i n GLN 36 N 5.29 0.31 -3.58 2.90 6.02 -1.25 -4.13 117.38 122.93 1j5i n GLN 36 Ca -0.10 -0.77 -0.35 0.00 -0.01 0.00 0.00 57.00 55.77 1j5i n GLN 36 Cb 0.50 -2.97 -0.05 0.00 1.02 0.00 0.00 30.24 28.74 1j5i n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1j5i n ALA 38 N 0.92 0.00 -1.78 0.00 0.00 -0.23 -1.34 120.51 118.07 1j5i n ALA 38 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.17 1j5i n ALA 38 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 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 1.44 -0.05 0.00 0.52 -1.25 0.18 118.94 117.78 1j5i s TRP 39 Ca 0.00 1.40 -0.10 0.00 0.02 0.00 0.00 56.10 57.42 1j5i s TRP 39 Cb 0.00 -3.70 -0.30 0.00 -1.15 0.00 0.00 33.47 28.32 1j5i s TRP 39 CO 0.00 -1.60 0.64 -0.24 0.02 0.00 0.00 176.95 175.77 1j5i h VAL 40 N 7.44 0.91 -1.04 4.03 3.04 -1.49 -3.43 116.25 125.71 1j5i h VAL 40 Ca 0.05 -2.51 0.00 0.00 -1.01 0.00 0.00 66.70 63.23 1j5i h VAL 40 Cb 1.00 2.73 0.00 0.00 -2.01 0.00 0.00 31.29 33.01 1j5i h VAL 40 CO 1.10 0.86 0.00 -0.67 -1.01 0.00 0.00 177.57 177.85 1j5i n ASP 41 N -3.57 0.00 -3.98 3.17 4.64 -1.17 -4.85 116.55 110.78 1j5i n ASP 41 Ca -0.25 0.00 -0.41 0.00 -1.38 0.00 0.00 54.79 52.75 1j5i n ASP 41 Cb 1.07 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 41.13 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 0.00 3.00 -1.24 5.18 -1.04 -1.26 -3.77 114.28 115.15 1j5i n THR 42 Ca 0.00 -2.80 -0.04 0.00 -2.04 0.00 0.00 64.05 59.17 1j5i n THR 42 Cb 0.00 -2.44 -0.02 0.00 -1.82 0.00 0.00 70.33 66.06 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 4.67 0.63 3.37 3.41 0.00 -1.26 -5.00 105.19 111.00 1j5i n GLY 43 Ca 0.50 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.15 4.50 -1.04 1.61 1.01 -1.25 -4.94 120.40 118.14 1j5i s VAL 44 Ca 0.00 -0.85 -0.25 0.00 0.00 0.00 0.00 61.98 60.88 1j5i s VAL 44 Cb 0.00 -3.50 -0.13 0.00 0.00 0.00 0.00 36.38 32.75 1j5i s VAL 44 CO 0.00 -0.21 2.06 -0.22 0.00 0.00 0.00 175.10 176.73 1j5i s LEU 45 N 1.54 2.85 0.09 3.92 0.20 -1.26 -1.49 118.68 124.53 1j5i s LEU 45 Ca 0.02 -1.02 -0.11 0.00 0.69 0.00 0.00 54.13 53.71 1j5i s LEU 45 Cb -0.19 -2.58 -0.06 0.00 -0.43 0.00 0.00 46.19 42.93 1j5i s LEU 45 CO 0.06 -3.62 0.44 0.00 -0.29 0.00 0.00 176.35 172.94 1j5i s ALA 46 N 13.12 3.69 0.24 5.97 0.00 0.13 -2.88 121.76 142.03 1j5i s ALA 46 Ca 0.76 -0.31 -0.00 0.00 0.00 0.00 0.00 51.96 52.41 1j5i s ALA 46 Cb -0.05 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 1j5i s ALA 46 CO 0.11 0.53 0.43 0.00 0.00 0.00 0.00 175.76 176.83 1j5i s ASN 48 N -3.39 6.32 0.00 0.00 0.01 -0.28 -1.12 114.94 116.48 1j5i s ASN 48 Ca 0.39 -0.21 0.06 0.00 -0.71 0.00 0.00 52.86 52.38 1j5i s ASN 48 Cb -0.11 -2.29 0.35 0.00 0.41 0.00 0.00 41.25 39.62 1j5i s ASN 48 CO 0.30 -0.62 1.01 -0.81 -1.51 0.00 0.00 177.10 175.47 1j5i n PRO 49 N 5.95 0.75 0.00 -0.60 -0.04 -1.26 -1.81 135.00 138.00 1j5i n PRO 49 Ca -0.03 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.50 1j5i n PRO 49 Cb 0.48 -1.12 -0.06 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.62 3.76 0.36 0.55 0.00 -1.26 -4.25 120.51 119.04 1j5i n ALA 50 Ca 0.04 -0.48 0.05 0.00 0.00 0.00 0.00 53.44 53.05 1j5i n ALA 50 Cb 0.02 -0.57 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.94 0.99 -4.42 0.00 4.64 -0.75 -4.88 116.55 111.20 1j5i n ASP 51 Ca 0.04 -0.56 -0.56 0.00 -1.38 0.00 0.00 54.79 52.33 1j5i n ASP 51 Cb 0.28 1.11 -0.09 0.00 -1.04 0.00 0.00 41.12 41.38 1j5i n ASP 51 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1j5i n PHE 52 N -1.39 1.49 -3.30 -0.67 3.01 -0.89 -4.03 117.46 111.68 1j5i n PHE 52 Ca 0.01 0.57 -0.09 0.00 1.01 0.00 0.00 57.45 58.94 1j5i n PHE 52 Cb 0.19 -2.41 -0.05 0.00 -0.01 0.00 0.00 39.48 37.20 1j5i n PHE 52 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1j5i s SER 53 N 6.03 0.18 0.16 4.37 0.15 0.74 -4.92 113.70 120.40 1j5i s SER 53 Ca 1.12 -0.95 -0.33 0.00 0.70 0.00 0.00 55.95 56.49 1j5i s SER 53 Cb -1.19 1.12 -0.13 0.00 -1.71 0.00 0.00 66.02 64.11 1j5i s SER 53 CO 0.60 -0.27 1.64 -1.54 1.20 0.00 0.00 173.24 174.87 1j5i n SER 54 N 4.68 3.36 -3.67 5.45 3.41 -1.26 -1.69 113.62 123.91 1j5i n SER 54 Ca 0.08 1.07 -0.10 0.00 -0.26 0.00 0.00 58.87 59.65 1j5i n SER 54 Cb 0.50 -1.46 -0.04 0.00 -0.26 0.00 0.00 64.21 62.95 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 1.24 0.04 0.37 -3.33 1.01 -0.05 -4.91 120.40 114.77 1j5i s VAL 55 Ca 0.79 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 62.22 1j5i s VAL 55 Cb -0.63 -1.39 -0.07 0.00 0.00 0.00 0.00 36.38 34.29 1j5i s VAL 55 CO 0.37 -0.16 -0.05 0.28 0.00 0.00 0.00 175.10 175.54 1j5i s THR 56 N -3.84 2.10 -0.20 3.92 -1.32 -1.26 -0.71 115.64 114.34 1j5i s THR 56 Ca 0.06 -2.11 -0.06 0.00 -1.21 0.00 0.00 61.69 58.37 1j5i s THR 56 Cb -0.00 -2.79 -0.03 0.00 -1.51 0.00 0.00 72.50 68.17 1j5i s THR 56 CO -0.07 -0.12 0.04 0.00 -2.21 0.00 0.00 174.62 172.26 1j5i s ALA 57 N -2.68 3.20 0.98 11.08 0.00 -0.81 -4.23 121.76 129.31 1j5i s ALA 57 Ca 0.33 -0.90 -0.13 0.00 0.00 0.00 0.00 51.96 51.26 1j5i s ALA 57 Cb 0.06 -1.87 0.07 0.00 0.00 0.00 0.00 23.12 21.38 1j5i s ALA 57 CO 0.17 -0.04 0.46 -0.25 0.00 0.00 0.00 175.76 176.10 1j5i n ASP 58 N 4.01 -1.81 -0.29 0.00 10.43 0.57 -2.45 116.55 127.01 1j5i n ASP 58 Ca -0.17 0.26 0.25 0.00 2.57 0.00 0.00 54.79 57.70 1j5i n ASP 58 Cb 0.52 -1.21 0.47 0.00 1.84 0.00 0.00 41.12 42.74 1j5i n ASP 58 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1j5i n ALA 59 N -3.85 0.81 -0.65 2.24 0.00 -1.26 0.43 120.51 118.23 1j5i n ALA 59 Ca 0.06 0.91 -0.14 0.00 0.00 0.00 0.00 53.44 54.28 1j5i n ALA 59 Cb 0.55 -0.86 0.04 0.00 0.00 0.00 0.00 19.45 19.18 1j5i n ALA 59 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1j5i n ASN 60 N -5.06 5.68 -4.31 0.00 5.15 -1.26 -4.37 115.26 111.09 1j5i n ASN 60 Ca 0.31 -2.93 -0.31 0.00 -0.60 0.00 0.00 54.58 51.05 1j5i n ASN 60 Cb 1.04 -0.97 -0.09 0.00 -0.53 0.00 0.00 39.78 39.23 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 0.32 -0.15 3.18 8.20 0.00 1.47 -3.32 105.19 114.90 1j5i n GLY 61 Ca 0.27 0.17 -0.37 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.29 5.34 -0.44 1.61 0.01 -1.05 0.27 113.70 115.13 1j5i s SER 62 Ca 0.07 -1.71 -0.09 0.00 1.31 0.00 0.00 55.95 55.53 1j5i s SER 62 Cb -0.04 -1.87 0.10 0.00 0.21 0.00 0.00 66.02 64.42 1j5i s SER 62 CO 0.99 -0.50 0.30 0.00 0.41 0.00 0.00 173.24 174.44 1j5i s ALA 63 N 1.26 3.33 -0.98 1.44 0.00 0.76 -0.31 121.76 127.26 1j5i s ALA 63 Ca 0.04 -2.37 -0.11 0.00 0.00 0.00 0.00 51.96 49.52 1j5i s ALA 63 Cb -0.22 -2.72 0.25 0.00 0.00 0.00 0.00 23.12 20.42 1j5i s ALA 63 CO -0.01 -1.79 0.95 -1.54 0.00 0.00 0.00 175.76 173.37 1j5i s SER 64 N 2.39 7.04 -0.28 0.00 1.04 -1.26 0.09 113.70 122.72 1j5i s SER 64 Ca 0.05 -3.20 -0.06 0.00 0.48 0.00 0.00 55.95 53.22 1j5i s SER 64 Cb -0.25 -2.20 0.01 0.00 0.10 0.00 0.00 66.02 63.68 1j5i s SER 64 CO 0.00 -0.41 0.05 0.28 0.98 0.00 0.00 173.24 174.14 1j5i s THR 65 N -0.64 3.77 0.04 2.02 -1.32 -0.42 -4.91 115.64 114.19 1j5i s THR 65 Ca 0.25 -0.68 -0.21 0.00 -1.21 0.00 0.00 61.69 59.84 1j5i s THR 65 Cb -0.10 -2.91 -0.06 0.00 -1.51 0.00 0.00 72.50 67.92 1j5i s THR 65 CO -0.08 0.15 0.61 -0.94 -2.21 0.00 0.00 174.62 172.15 1j5i s SER 66 N 1.48 7.06 0.29 8.08 1.04 -1.26 0.57 113.70 130.95 1j5i s SER 66 Ca 0.03 1.26 -0.19 0.00 0.48 0.00 0.00 55.95 57.52 1j5i s SER 66 Cb -0.17 -2.38 0.05 0.00 0.10 0.00 0.00 66.02 63.63 1j5i s SER 66 CO 0.01 0.17 0.85 -0.22 0.98 0.00 0.00 173.24 175.03 1j5i s LEU 67 N -0.62 -0.08 -0.13 2.42 0.20 -0.67 -4.90 118.68 114.89 1j5i s LEU 67 Ca 0.31 -0.83 -0.04 0.00 0.69 0.00 0.00 54.13 54.25 1j5i s LEU 67 Cb -0.19 2.58 -0.04 0.00 -0.43 0.00 0.00 46.19 48.11 1j5i s LEU 67 CO 0.19 -1.37 0.03 0.28 -0.29 0.00 0.00 176.35 175.19 1j5i s THR 68 N -2.77 4.50 -1.03 3.68 -1.32 -1.26 -0.89 115.64 116.55 1j5i s THR 68 Ca 0.15 -0.15 -0.17 0.00 -1.21 0.00 0.00 61.69 60.31 1j5i s THR 68 Cb -0.04 -2.96 0.14 0.00 -1.51 0.00 0.00 72.50 68.13 1j5i s THR 68 CO 0.08 0.54 1.25 -0.69 -2.21 0.00 0.00 174.62 173.59 1j5i s VAL 69 N -0.26 4.79 -1.26 5.08 1.01 0.14 -4.79 120.40 125.11 1j5i s VAL 69 Ca 0.07 -1.92 -0.09 0.00 0.00 0.00 0.00 61.98 60.05 1j5i s VAL 69 Cb -0.12 -4.84 0.18 0.00 0.00 0.00 0.00 36.38 31.60 1j5i s VAL 69 CO 0.02 -1.57 1.84 0.54 0.00 0.00 0.00 175.10 175.93 1j5i n ARG 70 N 6.36 3.74 -0.65 2.72 1.74 -1.26 -0.98 116.66 128.32 1j5i n ARG 70 Ca 0.29 -3.64 0.49 0.00 -0.77 0.00 0.00 57.85 54.22 1j5i n ARG 70 Cb 0.47 -2.87 0.76 0.00 -1.02 0.00 0.00 32.46 29.79 1j5i n ARG 70 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1j5i n ARG 71 N 3.53 0.00 -3.40 5.56 0.63 -1.26 -3.50 116.66 118.22 1j5i n ARG 71 Ca 0.38 1.02 -0.43 0.00 -0.92 0.00 0.00 57.85 57.91 1j5i n ARG 71 Cb 0.36 -2.36 -0.09 0.00 0.45 0.00 0.00 32.46 30.81 1j5i n ARG 71 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1j5i s SER 72 N -3.84 6.15 -0.18 6.15 0.01 -1.23 0.17 113.70 120.92 1j5i s SER 72 Ca -0.05 -0.72 -0.35 0.00 1.31 0.00 0.00 55.95 56.14 1j5i s SER 72 Cb 0.25 -2.19 0.14 0.00 0.21 0.00 0.00 66.02 64.43 1j5i s SER 72 CO 0.82 -0.48 1.32 0.12 0.41 0.00 0.00 173.24 175.43 1j5i s PHE 73 N 1.91 -0.05 -0.04 2.43 2.19 0.23 -4.82 117.98 119.83 1j5i s PHE 73 Ca 0.09 0.02 -0.30 0.00 0.33 0.00 0.00 56.93 57.06 1j5i s PHE 73 Cb -0.18 0.51 -0.03 0.00 -1.31 0.00 0.00 43.02 42.01 1j5i s PHE 73 CO 0.12 -0.12 1.20 -2.00 1.83 0.00 0.00 175.22 176.25 1j5i s GLU 74 N -2.22 4.36 0.59 10.12 2.12 -1.26 -0.76 118.70 131.65 1j5i s GLU 74 Ca 0.12 1.68 0.00 0.00 0.36 0.00 0.00 54.97 57.14 1j5i s GLU 74 Cb 0.01 -3.54 0.05 0.00 0.26 0.00 0.00 34.13 30.92 1j5i s GLU 74 CO -0.04 -0.43 0.83 0.20 -0.54 0.00 0.00 175.26 175.28 1j5i s GLY 75 N 1.44 1.81 -0.10 -1.50 0.00 0.23 -4.13 107.32 105.08 1j5i s GLY 75 Ca 0.56 -1.37 -0.02 0.00 0.00 0.00 0.00 44.72 43.89 1j5i s GLY 75 CO 0.23 -1.03 0.02 -0.12 0.00 0.00 0.00 173.10 172.19 1j5i s PHE 76 N -2.86 0.66 0.25 1.90 5.36 -0.27 -1.05 117.98 121.97 1j5i s PHE 76 Ca 0.59 -0.28 -0.31 0.00 -0.96 0.00 0.00 56.93 55.97 1j5i s PHE 76 Cb -0.09 -0.81 -0.12 0.00 -0.34 0.00 0.00 43.02 41.65 1j5i s PHE 76 CO 0.40 -0.38 1.57 1.28 -1.46 0.00 0.00 175.22 176.63 1j5i n LEU 77 N 5.15 3.86 -0.22 6.12 4.77 0.63 -0.54 117.00 136.77 1j5i n LEU 77 Ca -0.07 1.12 0.30 0.00 -0.03 0.00 0.00 56.01 57.33 1j5i n LEU 77 Cb 0.49 -1.53 0.72 0.00 -2.33 0.00 0.00 43.42 40.77 1j5i n LEU 77 CO 0.11 -0.04 1.27 2.19 -1.33 0.00 0.00 177.39 179.59 1j5i h PHE 78 N 5.12 0.04 -0.48 -1.77 -5.15 -1.80 0.23 116.94 113.12 1j5i h PHE 78 Ca -0.46 0.00 0.10 0.00 -0.20 0.00 0.00 57.97 57.41 1j5i h PHE 78 Cb 1.24 -0.01 -0.10 0.00 0.22 0.00 0.00 35.95 37.30 1j5i h PHE 78 CO 0.59 0.01 -0.19 0.22 -2.00 0.00 0.00 178.31 176.94 1j5i h ASP 79 N 0.02 -0.67 0.00 -0.68 1.82 -1.88 -3.45 116.42 111.58 1j5i h ASP 79 Ca 0.46 0.17 0.00 0.00 -0.39 0.00 0.00 57.03 57.27 1j5i h ASP 79 Cb 1.82 0.38 0.00 0.00 0.68 0.00 0.00 39.33 42.21 1j5i h ASP 79 CO -0.02 -0.22 0.00 0.61 -1.61 0.00 0.00 179.24 178.00 1j5i n GLY 80 N -1.39 0.49 3.84 -0.78 0.00 0.07 -5.14 105.19 102.28 1j5i n GLY 80 Ca 0.04 0.00 -0.35 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 4.80 0.14 2.61 2.01 -1.24 -4.89 115.64 119.07 1j5i s THR 81 Ca 0.00 0.90 -0.26 0.00 0.31 0.00 0.00 61.69 62.64 1j5i s THR 81 Cb 0.00 -3.75 -0.07 0.00 0.01 0.00 0.00 72.50 68.69 1j5i s THR 81 CO 0.00 0.21 0.79 -0.13 -0.69 0.00 0.00 174.62 174.81 1j5i s ARG 82 N -2.03 4.57 0.00 4.92 0.52 -1.26 -0.27 118.95 125.41 1j5i s ARG 82 Ca 0.40 1.17 0.00 0.00 -0.52 0.00 0.00 55.73 56.78 1j5i s ARG 82 Cb -0.15 -3.30 0.00 0.00 0.52 0.00 0.00 34.95 32.02 1j5i s ARG 82 CO 0.19 0.47 0.00 1.87 0.02 0.00 0.00 175.30 177.86 1j5i n TRP 83 N 1.98 0.00 0.00 -0.53 -0.00 -0.22 -4.82 117.44 113.85 1j5i n TRP 83 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.46 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 3.51 0.08 4.93 5.87 0.00 -0.97 -4.74 105.19 113.87 1j5i n GLY 84 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.78 114.28 115.37 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 -1.55 12.58 0.31 0.06 -4.64 118.33 125.09 1j5i n VAL 86 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.10 1j5i n VAL 86 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1j5i n VAL 86 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1j5i n ASP 87 N 9.08 1.93 -2.27 4.52 -0.08 -1.26 -0.60 116.55 127.87 1j5i n ASP 87 Ca 0.00 -1.06 -0.20 0.00 -1.51 0.00 0.00 54.79 52.02 1j5i n ASP 87 Cb 0.00 -1.60 -0.11 0.00 2.34 0.00 0.00 41.12 41.75 1j5i n ASP 87 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1j5i n THR 89 N 1.71 0.47 -0.10 0.00 5.66 -1.26 -4.24 114.28 116.52 1j5i n THR 89 Ca 0.46 -0.43 -0.19 0.00 -3.05 0.00 0.00 64.05 60.84 1j5i n THR 89 Cb 0.73 -0.19 -0.11 0.00 -1.55 0.00 0.00 70.33 69.20 1j5i n THR 89 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1j5i h THR 90 N 0.00 1.02 -3.29 1.09 1.03 -1.99 -3.47 112.91 107.30 1j5i h THR 90 Ca 0.00 -2.13 -0.56 0.00 -0.01 0.00 0.00 66.41 63.70 1j5i h THR 90 Cb 0.90 2.29 -0.04 0.00 -1.07 0.00 0.00 68.15 70.23 1j5i h THR 90 CO 0.00 0.34 -0.10 0.00 -0.01 0.00 0.00 175.52 175.76 1j5i s ALA 91 N -2.36 3.59 -0.38 0.00 0.00 -1.26 -5.03 121.76 116.33 1j5i s ALA 91 Ca -0.26 -0.14 -0.29 0.00 0.00 0.00 0.00 51.96 51.27 1j5i s ALA 91 Cb 0.04 -2.51 0.02 0.00 0.00 0.00 0.00 23.12 20.67 1j5i s ALA 91 CO 0.58 0.46 1.11 0.00 0.00 0.00 0.00 175.76 177.91 1j5i s ALA 92 N -1.43 3.37 -0.21 0.00 0.00 -1.26 -4.84 121.76 117.39 1j5i s ALA 92 Ca 0.36 -0.20 -0.21 0.00 0.00 0.00 0.00 51.96 51.91 1j5i s ALA 92 Cb -0.15 -3.76 -0.02 0.00 0.00 0.00 0.00 23.12 19.19 1j5i s ALA 92 CO 0.19 -1.78 0.65 0.00 0.00 0.00 0.00 175.76 174.82 1j5i s GLN 94 N 2.10 3.35 -0.26 0.00 -0.21 -0.45 -1.53 119.66 122.67 1j5i s GLN 94 Ca 0.29 -0.62 -0.20 0.00 0.02 0.00 0.00 55.36 54.85 1j5i s GLN 94 Cb -0.16 -3.87 -0.02 0.00 1.00 0.00 0.00 33.01 29.96 1j5i s GLN 94 CO 0.10 -0.63 0.59 0.08 -2.12 0.00 0.00 175.29 173.32 1j5i s VAL 95 N 1.95 5.01 0.06 1.09 1.01 -0.38 0.08 120.40 129.23 1j5i s VAL 95 Ca 0.10 1.05 -0.27 0.00 0.00 0.00 0.00 61.98 62.86 1j5i s VAL 95 Cb -0.17 -3.90 0.09 0.00 0.00 0.00 0.00 36.38 32.40 1j5i s VAL 95 CO 0.12 0.05 1.17 -0.83 0.00 0.00 0.00 175.10 175.60 1j5i s GLY 96 N 1.49 -0.22 -0.21 4.51 0.00 -1.26 -1.38 107.32 110.25 1j5i s GLY 96 Ca 0.25 0.24 -0.07 0.00 0.00 0.00 0.00 44.72 45.14 1j5i s GLY 96 CO 0.09 1.54 0.06 1.08 0.00 0.00 0.00 173.10 175.87 1j5i s LEU 97 N -3.21 3.64 0.17 0.66 1.02 -1.26 -0.42 118.68 119.28 1j5i s LEU 97 Ca 0.18 -0.05 0.05 0.00 0.02 0.00 0.00 54.13 54.33 1j5i s LEU 97 Cb 0.01 -1.94 -0.04 0.00 0.02 0.00 0.00 46.19 44.24 1j5i s LEU 97 CO -0.00 0.08 0.16 -0.94 0.02 0.00 0.00 176.35 175.67 1j5i s SER 98 N 0.91 5.59 0.98 2.29 1.04 -0.54 -4.64 113.70 119.34 1j5i s SER 98 Ca 0.04 -0.12 -0.11 0.00 0.48 0.00 0.00 55.95 56.24 1j5i s SER 98 Cb -0.14 -1.48 0.17 0.00 0.10 0.00 0.00 66.02 64.67 1j5i s SER 98 CO 0.03 0.06 1.01 0.47 0.98 0.00 0.00 173.24 175.78 1j5i n ASP 99 N -0.45 -0.42 -0.15 7.02 8.00 -1.05 0.04 116.55 129.54 1j5i n ASP 99 Ca -0.08 0.27 0.12 0.00 0.71 0.00 0.00 54.79 55.82 1j5i n ASP 99 Cb 0.55 -1.39 0.66 0.00 -0.02 0.00 0.00 41.12 40.92 1j5i n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j5i n ALA 100 N -4.35 2.62 1.00 2.24 0.00 -1.26 -2.75 120.51 118.00 1j5i n ALA 100 Ca 0.09 -0.25 0.11 0.00 0.00 0.00 0.00 53.44 53.40 1j5i n ALA 100 Cb 0.53 -1.33 0.14 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.56 3.89 -2.13 0.00 0.00 -1.26 -4.95 120.51 115.49 1j5i n ALA 101 Ca 0.18 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1j5i n ALA 101 Cb 0.16 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 1.50 0.92 3.24 0.00 0.00 -1.11 -5.08 105.19 104.66 1j5i n GLY 102 Ca 0.05 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.86 -0.06 0.00 1.61 0.01 -1.26 -5.02 114.94 107.35 1j5i s ASN 103 Ca 0.00 -0.35 0.00 0.00 -0.71 0.00 0.00 52.86 51.80 1j5i s ASN 103 Cb 0.00 0.37 0.00 0.00 0.41 0.00 0.00 41.25 42.03 1j5i s ASN 103 CO 0.00 -0.68 0.00 0.61 -1.51 0.00 0.00 177.10 175.52 1j5i n GLY 104 N 0.29 1.57 2.29 0.66 0.00 -1.26 -2.52 105.19 106.22 1j5i n GLY 104 Ca -0.17 -0.90 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 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 1.18 2.08 -3.10 1.61 -0.04 -1.26 -4.72 135.00 130.75 1j5i n PRO 105 Ca 0.00 -1.22 -0.42 0.00 -0.04 0.00 0.00 63.50 61.82 1j5i n PRO 105 Cb 0.00 -2.21 -0.06 0.00 -0.04 0.00 0.00 33.50 31.19 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 2.15 3.73 0.00 0.54 8.01 -1.26 -4.97 118.70 126.90 1j5i s GLU 106 Ca 0.51 0.13 0.00 0.00 0.01 0.00 0.00 54.97 55.62 1j5i s GLU 106 Cb 0.19 -3.79 0.00 0.00 -4.31 0.00 0.00 34.13 26.22 1j5i s GLU 106 CO -0.02 -0.71 0.00 0.41 0.01 0.00 0.00 175.26 174.95 1j5i n GLY 107 N 4.60 2.79 3.57 -1.39 0.00 -1.26 -4.01 105.19 109.49 1j5i n GLY 107 Ca -0.01 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.82 4.46 -0.78 1.61 0.11 -0.48 -4.68 120.40 119.83 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 -0.08 0.00 -1.53 0.00 0.00 36.38 31.76 1j5i s VAL 108 CO 0.00 0.46 2.17 0.00 -3.33 0.00 0.00 175.10 174.39 1j5i s ALA 109 N 0.50 1.34 0.69 1.54 0.00 -1.26 -1.24 121.76 123.33 1j5i s ALA 109 Ca 0.01 -0.96 -0.06 0.00 0.00 0.00 0.00 51.96 50.95 1j5i s ALA 109 Cb -0.13 -4.51 0.06 0.00 0.00 0.00 0.00 23.12 18.54 1j5i s ALA 109 CO 0.01 -5.10 0.99 0.42 0.00 0.00 0.00 175.76 172.09 1j5i s ILE 110 N 12.03 2.31 0.00 0.00 1.09 -0.58 -4.84 121.20 131.20 1j5i s ILE 110 Ca 0.81 -0.32 0.00 0.00 -1.10 0.00 0.00 60.65 60.05 1j5i s ILE 110 Cb -0.11 -2.99 0.00 0.00 -1.06 0.00 0.00 42.46 38.30 1j5i s ILE 110 CO 0.08 0.00 0.00 -1.20 -0.10 0.00 0.00 174.94 173.72 1j5i n SER 111 N -2.87 0.00 -3.68 3.58 7.64 0.10 -4.31 113.62 114.08 1j5i n SER 111 Ca 0.08 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.82 1j5i n SER 111 Cb 0.60 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.72 1j5i n SER 111 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1j5i s PHE 112 N 0.00 -0.39 -1.83 1.43 -0.71 -1.14 0.77 117.98 116.12 1j5i s PHE 112 Ca 0.00 0.72 0.00 0.00 -1.04 0.00 0.00 56.93 56.61 1j5i s PHE 112 Cb 0.00 0.20 0.00 0.00 -1.21 0.00 0.00 43.02 42.01 1j5i s PHE 112 CO 0.00 -0.42 0.46 -1.71 -1.34 0.00 0.00 175.22 172.20