#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5i s ALA 2 N 0.00 -3.75 -0.78 0.00 0.00 -1.26 -5.09 121.76 110.87 1j5i s ALA 2 Ca 0.00 1.35 -0.26 0.00 0.00 0.00 0.00 51.96 53.06 1j5i s ALA 2 Cb 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.40 1j5i s ALA 2 CO 0.00 -1.91 1.61 -1.25 0.00 0.00 0.00 175.76 174.21 1j5i s PRO 3 N 2.95 2.98 0.45 0.00 0.04 -1.26 -4.00 135.00 136.15 1j5i s PRO 3 Ca 0.19 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.08 1j5i s PRO 3 Cb -0.05 -4.63 0.00 0.00 0.04 0.00 0.00 34.50 29.86 1j5i s PRO 3 CO -0.20 -2.57 0.00 0.25 0.04 0.00 0.00 177.00 174.52 1j5i n THR 4 N 7.01 0.00 -2.29 1.26 -2.24 -0.22 -4.07 114.28 113.72 1j5i n THR 4 Ca 0.21 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.56 1j5i n THR 4 Cb 0.50 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.71 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 -1.12 3.36 0.02 6.98 0.00 -1.20 -2.66 121.76 127.13 1j5i s ALA 5 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1j5i s ALA 5 Cb 0.00 -3.79 -0.02 0.00 0.00 0.00 0.00 23.12 19.31 1j5i s ALA 5 CO 0.00 -1.78 -0.03 0.95 0.00 0.00 0.00 175.76 174.89 1j5i s THR 6 N 4.62 0.15 -0.05 0.00 -4.23 -0.33 -4.37 115.64 111.43 1j5i s THR 6 Ca 0.62 -0.74 -0.27 0.00 -1.18 0.00 0.00 61.69 60.13 1j5i s THR 6 Cb -0.21 -0.26 -0.03 0.00 1.34 0.00 0.00 72.50 73.34 1j5i s THR 6 CO 0.25 -0.37 0.84 -0.69 -0.54 0.00 0.00 174.62 174.11 1j5i s VAL 7 N -1.14 4.95 0.01 2.29 1.01 -1.26 -2.22 120.40 124.03 1j5i s VAL 7 Ca -0.12 1.75 -0.02 0.00 0.00 0.00 0.00 61.98 63.59 1j5i s VAL 7 Cb -0.08 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 1j5i s VAL 7 CO -0.01 0.18 0.90 0.41 0.00 0.00 0.00 175.10 176.59 1j5i n THR 8 N 3.95 -0.05 -0.12 3.92 -1.04 -0.61 -4.54 114.28 115.79 1j5i n THR 8 Ca 0.03 1.36 0.00 0.00 -2.04 0.00 0.00 64.05 63.39 1j5i n THR 8 Cb 0.51 -1.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 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 -3.05 0.77 0.00 -2.82 -0.04 -1.26 -5.06 135.00 123.54 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 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.48 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 -0.47 0.07 -4.20 3.54 7.64 -1.26 -4.94 113.62 113.99 1j5i n SER 10 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1j5i n SER 10 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 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 -2.50 1.88 0.00 6.43 3.41 -1.25 -1.66 113.62 119.92 1j5i n SER 11 Ca 0.00 -2.57 0.03 0.00 -0.26 0.00 0.00 58.87 56.07 1j5i n SER 11 Cb 0.09 -1.38 0.14 0.00 -0.26 0.00 0.00 64.21 62.80 1j5i n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j5i n GLY 12 N 5.56 -0.62 2.52 5.00 0.00 0.22 -3.89 105.19 113.98 1j5i n GLY 12 Ca 0.45 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.42 3.86 -3.82 0.99 4.77 -0.27 -4.52 117.00 116.59 1j5i n LEU 13 Ca 0.02 -2.43 -0.26 0.00 -0.03 0.00 0.00 56.01 53.31 1j5i n LEU 13 Cb 0.06 -0.93 -0.17 0.00 -2.33 0.00 0.00 43.42 40.05 1j5i n LEU 13 CO 0.05 0.50 -0.40 -0.55 -1.33 0.00 0.00 177.39 175.66 1j5i s SER 14 N 3.21 2.44 -0.81 -1.43 0.15 -1.25 -5.05 113.70 110.97 1j5i s SER 14 Ca 0.35 -0.51 -0.18 0.00 0.70 0.00 0.00 55.95 56.31 1j5i s SER 14 Cb 0.12 -0.69 -0.21 0.00 -1.71 0.00 0.00 66.02 63.52 1j5i s SER 14 CO -0.02 -0.21 2.01 -0.90 1.20 0.00 0.00 173.24 175.32 1j5i n ASP 15 N 5.00 -0.30 -3.58 5.45 5.75 -1.26 -0.26 116.55 127.35 1j5i n ASP 15 Ca -0.10 -0.08 -0.19 0.00 -0.01 0.00 0.00 54.79 54.42 1j5i n ASP 15 Cb 0.48 -0.62 0.01 0.00 -1.03 0.00 0.00 41.12 39.96 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 4.94 -1.24 3.69 6.12 0.00 -0.60 -4.87 105.19 113.22 1j5i n GLY 16 Ca 0.54 0.54 -0.42 0.00 0.00 0.00 0.00 46.02 46.68 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 -3.06 4.46 -0.34 2.61 -1.32 0.64 -4.47 115.64 114.17 1j5i s THR 17 Ca 0.07 1.77 -0.16 0.00 -1.21 0.00 0.00 61.69 62.16 1j5i s THR 17 Cb -0.03 -4.14 -0.01 0.00 -1.51 0.00 0.00 72.50 66.82 1j5i s THR 17 CO 0.85 -0.01 0.40 -0.69 -2.21 0.00 0.00 174.62 172.97 1j5i s VAL 18 N 2.18 5.13 0.10 5.08 1.01 -1.26 0.25 120.40 132.89 1j5i s VAL 18 Ca 0.53 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.67 1j5i s VAL 18 Cb -0.22 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1j5i s VAL 18 CO 0.20 -0.11 0.07 1.33 0.00 0.00 0.00 175.10 176.59 1j5i n VAL 19 N 5.28 0.00 -4.59 2.92 0.24 -0.55 -4.99 118.33 116.64 1j5i n VAL 19 Ca -0.08 -0.67 -0.34 0.00 -2.04 0.00 0.00 64.34 61.21 1j5i n VAL 19 Cb 0.49 0.31 -0.12 0.00 -1.47 0.00 0.00 33.84 33.06 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 -2.39 3.11 -0.40 7.34 1.02 -1.26 -1.59 119.74 125.57 1j5i s LYS 20 Ca 0.10 -0.56 -0.04 0.00 0.02 0.00 0.00 55.97 55.49 1j5i s LYS 20 Cb 0.00 -2.69 0.10 0.00 -0.52 0.00 0.00 37.83 34.73 1j5i s LYS 20 CO 0.07 0.47 0.19 0.08 -0.92 0.00 0.00 175.35 175.24 1j5i s VAL 21 N -0.29 3.37 -0.16 3.17 1.01 0.17 -1.58 120.40 126.09 1j5i s VAL 21 Ca 0.04 -1.88 -0.22 0.00 0.00 0.00 0.00 61.98 59.92 1j5i s VAL 21 Cb -0.13 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1j5i s VAL 21 CO 0.02 -0.59 0.66 0.00 0.00 0.00 0.00 175.10 175.19 1j5i s ALA 22 N 1.19 3.50 -0.84 5.51 0.00 -0.94 -1.11 121.76 129.06 1j5i s ALA 22 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.87 1j5i s ALA 22 Cb -0.22 -2.98 0.21 0.00 0.00 0.00 0.00 23.12 20.12 1j5i s ALA 22 CO -0.03 -0.44 0.71 0.20 0.00 0.00 0.00 175.76 176.20 1j5i s GLY 23 N 1.07 3.01 -0.15 0.00 0.00 0.19 -1.19 107.32 110.26 1j5i s GLY 23 Ca 0.32 -3.80 -0.24 0.00 0.00 0.00 0.00 44.72 41.00 1j5i s GLY 23 CO 0.12 1.17 0.77 0.00 0.00 0.00 0.00 173.10 175.16 1j5i s ALA 24 N -1.27 3.49 0.00 3.20 0.00 -1.09 -0.16 121.76 125.92 1j5i s ALA 24 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.22 1j5i s ALA 24 Cb -0.08 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1j5i s ALA 24 CO -0.12 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.52 1j5i n GLY 25 N 3.46 0.48 0.00 0.00 0.00 0.61 -1.06 105.19 108.68 1j5i n GLY 25 Ca 0.02 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -4.57 0.99 -0.00 -0.74 -4.86 117.00 107.82 1j5i n LEU 26 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.76 1j5i n LEU 26 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 1j5i n LEU 26 CO 0.00 0.00 1.39 -1.10 -0.00 0.00 0.00 177.39 177.68 1j5i s GLN 27 N 1.78 2.33 -0.61 1.96 1.11 -1.26 -4.65 119.66 120.32 1j5i s GLN 27 Ca 0.00 -0.67 -0.26 0.00 0.01 0.00 0.00 55.36 54.44 1j5i s GLN 27 Cb 0.00 -5.12 -0.04 0.00 -1.01 0.00 0.00 33.01 26.84 1j5i s GLN 27 CO 0.00 -3.94 2.00 0.00 0.01 0.00 0.00 175.29 173.36 1j5i s ALA 28 N 11.52 1.97 0.00 6.09 0.00 -1.26 -1.33 121.76 138.74 1j5i s ALA 28 Ca 0.72 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1j5i s ALA 28 Cb -0.04 -4.34 0.00 0.00 0.00 0.00 0.00 23.12 18.74 1j5i s ALA 28 CO 0.08 -4.15 0.00 0.41 0.00 0.00 0.00 175.76 172.10 1j5i n GLY 29 N 5.88 2.28 3.53 0.00 0.00 -0.68 -4.74 105.19 111.47 1j5i n GLY 29 Ca 0.26 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 1j5i n GLY 29 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j5i n THR 30 N -2.00 0.00 -3.54 2.61 -2.24 -0.45 -4.89 114.28 103.77 1j5i n THR 30 Ca 0.00 -1.42 -0.13 0.00 -2.27 0.00 0.00 64.05 60.23 1j5i n THR 30 Cb 0.00 -0.95 -0.04 0.00 -2.10 0.00 0.00 70.33 67.23 1j5i n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j5i s ALA 31 N -3.16 -1.37 0.00 6.98 0.00 -1.26 -1.81 121.76 121.13 1j5i s ALA 31 Ca 0.61 0.53 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1j5i s ALA 31 Cb -0.03 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.61 1j5i s ALA 31 CO 0.40 -0.58 0.00 2.48 0.00 0.00 0.00 175.76 178.06 1j5i n TYR 32 N 0.16 -0.32 -3.63 0.00 0.18 0.29 -4.80 117.16 109.03 1j5i n TYR 32 Ca -0.18 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.21 1j5i n TYR 32 Cb 0.62 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.46 1j5i n TYR 32 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1j5i s ASP 33 N 0.25 5.63 0.17 9.48 3.68 -1.17 0.05 116.67 134.76 1j5i s ASP 33 Ca 0.00 -0.83 -0.30 0.00 2.13 0.00 0.00 52.55 53.55 1j5i s ASP 33 Cb 0.00 -2.00 -0.07 0.00 -1.45 0.00 0.00 42.92 39.39 1j5i s ASP 33 CO 0.00 -0.31 0.99 -0.69 0.13 0.00 0.00 175.17 175.29 1j5i s VAL 34 N 1.57 4.18 0.00 1.11 1.01 -0.34 0.03 120.40 127.95 1j5i s VAL 34 Ca 0.03 1.95 0.00 0.00 0.00 0.00 0.00 61.98 63.96 1j5i s VAL 34 Cb -0.18 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 31.95 1j5i s VAL 34 CO 0.06 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1j5i n GLY 35 N 1.93 0.88 3.39 4.51 0.00 0.98 -0.25 105.19 116.63 1j5i n GLY 35 Ca 0.01 -0.47 -0.44 0.00 0.00 0.00 0.00 46.02 45.11 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 3.06 0.17 1.61 -0.21 -1.26 -1.47 119.66 119.57 1j5i s GLN 36 Ca 0.00 -1.22 0.06 0.00 0.02 0.00 0.00 55.36 54.22 1j5i s GLN 36 Cb 0.00 -4.24 -0.04 0.00 1.00 0.00 0.00 33.01 29.74 1j5i s GLN 36 CO 0.00 -1.50 0.10 0.00 -2.12 0.00 0.00 175.29 171.77 1j5i n ALA 38 N -0.33 0.00 -1.78 0.00 0.00 -0.62 -1.36 120.51 116.42 1j5i n ALA 38 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 1j5i n ALA 38 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 1j5i n ALA 38 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1j5i s TRP 39 N -2.00 1.44 -0.22 0.00 -2.14 -1.26 -0.15 118.94 114.61 1j5i s TRP 39 Ca 0.00 0.60 0.11 0.00 2.66 0.00 0.00 56.10 59.47 1j5i s TRP 39 Cb 0.00 -4.01 -0.22 0.00 -3.10 0.00 0.00 33.47 26.15 1j5i s TRP 39 CO 0.00 -3.55 -0.05 1.55 -2.66 0.00 0.00 176.95 172.24 1j5i n VAL 40 N 7.62 1.44 -0.72 -0.66 3.14 -0.59 -4.72 118.33 123.83 1j5i n VAL 40 Ca 0.27 -0.74 0.00 0.00 -2.96 0.00 0.00 64.34 60.91 1j5i n VAL 40 Cb 0.46 -0.87 0.00 0.00 -1.06 0.00 0.00 33.84 32.37 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 -2.97 0.00 -2.48 6.55 2.03 -1.14 -4.89 116.55 113.66 1j5i n ASP 41 Ca -0.38 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 54.71 1j5i n ASP 41 Cb 1.09 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 41.37 1j5i n ASP 41 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1j5i n THR 42 N 0.00 3.50 0.00 5.18 5.66 -1.26 -4.05 114.28 123.31 1j5i n THR 42 Ca 0.00 -1.98 0.00 0.00 -3.05 0.00 0.00 64.05 59.02 1j5i n THR 42 Cb 0.00 -2.18 0.00 0.00 -1.55 0.00 0.00 70.33 66.60 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 2.76 0.83 3.60 1.09 0.00 -1.26 -5.07 105.19 107.13 1j5i n GLY 43 Ca 0.55 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.16 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 4.88 -0.53 1.61 1.01 -1.26 -4.92 120.40 119.19 1j5i s VAL 44 Ca 0.00 0.88 -0.26 0.00 0.00 0.00 0.00 61.98 62.60 1j5i s VAL 44 Cb 0.00 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1j5i s VAL 44 CO 0.00 -0.22 2.21 -0.76 0.00 0.00 0.00 175.10 176.34 1j5i s LEU 45 N 2.74 3.37 -0.09 3.92 1.43 -1.26 -1.55 118.68 127.24 1j5i s LEU 45 Ca 0.27 0.81 -0.00 0.00 -1.03 0.00 0.00 54.13 54.18 1j5i s LEU 45 Cb -0.15 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 1j5i s LEU 45 CO 0.13 -2.71 -0.06 0.00 0.23 0.00 0.00 176.35 173.95 1j5i s ALA 46 N 11.11 3.02 0.12 4.21 0.00 0.79 -1.37 121.76 139.65 1j5i s ALA 46 Ca 0.87 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.99 1j5i s ALA 46 Cb -0.15 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 1j5i s ALA 46 CO 0.24 0.50 0.21 0.00 0.00 0.00 0.00 175.76 176.71 1j5i s ASN 48 N -2.93 4.59 0.07 0.00 0.02 -1.17 0.50 114.94 116.02 1j5i s ASN 48 Ca 0.33 0.71 0.23 0.00 -1.02 0.00 0.00 52.86 53.11 1j5i s ASN 48 Cb -0.11 -1.24 0.92 0.00 0.02 0.00 0.00 41.25 40.83 1j5i s ASN 48 CO 0.26 -1.83 1.71 -0.81 0.02 0.00 0.00 177.10 176.45 1j5i n PRO 49 N -3.22 0.07 -0.54 -0.60 -0.04 -1.22 -2.18 135.00 127.27 1j5i n PRO 49 Ca 0.08 0.19 0.08 0.00 -0.04 0.00 0.00 63.50 63.81 1j5i n PRO 49 Cb 0.61 -1.61 0.30 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 -1.59 3.10 1.36 0.55 0.00 -1.26 -4.31 120.51 118.37 1j5i n ALA 50 Ca 0.05 -1.93 0.09 0.00 0.00 0.00 0.00 53.44 51.66 1j5i n ALA 50 Cb 0.28 -0.83 0.37 0.00 0.00 0.00 0.00 19.45 19.27 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 0.21 1.31 -4.19 0.00 -0.08 -0.92 -4.48 116.55 108.38 1j5i n ASP 51 Ca 0.22 -1.69 -0.41 0.00 -1.51 0.00 0.00 54.79 51.40 1j5i n ASP 51 Cb 0.90 -0.10 -0.07 0.00 2.34 0.00 0.00 41.12 44.19 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 -1.81 3.52 -0.42 -0.67 0.08 -1.21 -2.93 117.98 114.54 1j5i s PHE 52 Ca 0.29 -2.28 0.05 0.00 0.12 0.00 0.00 56.93 55.11 1j5i s PHE 52 Cb 0.15 -3.45 0.17 0.00 -0.57 0.00 0.00 43.02 39.32 1j5i s PHE 52 CO 0.23 -0.93 0.48 0.45 -0.10 0.00 0.00 175.22 175.36 1j5i s SER 53 N 1.66 0.31 0.07 1.36 0.15 0.65 -4.96 113.70 112.93 1j5i s SER 53 Ca 0.14 -1.95 -0.32 0.00 0.70 0.00 0.00 55.95 54.52 1j5i s SER 53 Cb -0.19 0.78 -0.17 0.00 -1.71 0.00 0.00 66.02 64.72 1j5i s SER 53 CO -0.04 -0.17 0.79 -1.54 1.20 0.00 0.00 173.24 173.48 1j5i n SER 54 N 3.55 -0.42 -4.06 5.45 3.41 -1.26 -1.20 113.62 119.08 1j5i n SER 54 Ca 0.18 1.05 -0.07 0.00 -0.26 0.00 0.00 58.87 59.76 1j5i n SER 54 Cb 0.50 -0.85 -0.10 0.00 -0.26 0.00 0.00 64.21 63.50 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 -0.33 0.21 -0.01 -3.33 1.01 0.11 -4.71 120.40 113.34 1j5i s VAL 55 Ca 0.74 -1.70 -0.08 0.00 0.00 0.00 0.00 61.98 60.94 1j5i s VAL 55 Cb -1.04 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 33.91 1j5i s VAL 55 CO 0.52 -0.94 0.16 0.28 0.00 0.00 0.00 175.10 175.11 1j5i s THR 56 N -3.76 0.07 -0.10 3.92 -1.32 -1.26 -0.55 115.64 112.64 1j5i s THR 56 Ca 0.05 -0.56 -0.02 0.00 -1.21 0.00 0.00 61.69 59.96 1j5i s THR 56 Cb 0.07 -0.42 -0.03 0.00 -1.51 0.00 0.00 72.50 70.61 1j5i s THR 56 CO -0.10 -0.31 -0.01 0.00 -2.21 0.00 0.00 174.62 172.00 1j5i s ALA 57 N -1.13 3.22 0.72 11.08 0.00 -0.75 -4.44 121.76 130.47 1j5i s ALA 57 Ca -0.12 -0.81 -0.14 0.00 0.00 0.00 0.00 51.96 50.88 1j5i s ALA 57 Cb -0.06 -1.49 0.04 0.00 0.00 0.00 0.00 23.12 21.61 1j5i s ALA 57 CO 0.02 0.51 1.16 -0.51 0.00 0.00 0.00 175.76 176.94 1j5i s ASP 58 N -0.63 4.41 0.58 0.00 -0.00 0.95 -1.68 116.67 120.30 1j5i s ASP 58 Ca 0.10 2.20 0.37 0.00 -0.00 0.00 0.00 52.55 55.22 1j5i s ASP 58 Cb -0.12 -2.57 1.36 0.00 -0.00 0.00 0.00 42.92 41.59 1j5i s ASP 58 CO 0.02 -2.11 1.53 0.00 -0.00 0.00 0.00 175.17 174.62 1j5i h ALA 59 N -0.35 3.23 -0.41 5.23 0.00 -1.89 2.74 119.26 127.82 1j5i h ALA 59 Ca -0.47 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.16 1j5i h ALA 59 Cb 1.27 0.10 -0.12 0.00 0.00 0.00 0.00 17.79 19.04 1j5i h ALA 59 CO 0.51 -1.85 0.29 -1.71 0.00 0.00 0.00 179.25 176.49 1j5i n ASN 60 N -3.66 4.16 -4.40 0.00 2.85 -1.26 -4.41 115.26 108.53 1j5i n ASN 60 Ca 0.29 -2.75 -0.37 0.00 -0.11 0.00 0.00 54.58 51.64 1j5i n ASN 60 Cb 1.57 -0.76 -0.08 0.00 1.24 0.00 0.00 39.78 41.76 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 0.02 -0.31 3.06 8.20 0.00 0.92 -4.33 105.19 112.75 1j5i n GLY 61 Ca 0.25 0.12 -0.32 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.68 4.68 -0.84 1.61 0.01 -1.04 0.22 113.70 114.66 1j5i s SER 62 Ca 0.52 -1.74 -0.07 0.00 1.31 0.00 0.00 55.95 55.97 1j5i s SER 62 Cb -0.30 -1.62 0.21 0.00 0.21 0.00 0.00 66.02 64.53 1j5i s SER 62 CO 1.00 -0.30 0.75 0.00 0.41 0.00 0.00 173.24 175.09 1j5i s ALA 63 N 1.04 4.12 -1.19 1.44 0.00 0.77 -0.03 121.76 127.90 1j5i s ALA 63 Ca 0.01 -3.56 -0.10 0.00 0.00 0.00 0.00 51.96 48.32 1j5i s ALA 63 Cb -0.20 -3.10 0.22 0.00 0.00 0.00 0.00 23.12 20.04 1j5i s ALA 63 CO -0.06 -2.18 1.51 0.43 0.00 0.00 0.00 175.76 175.46 1j5i n SER 64 N 3.13 5.49 -4.54 0.00 7.64 -1.25 0.57 113.62 124.66 1j5i n SER 64 Ca 0.16 -3.12 -0.34 0.00 1.01 0.00 0.00 58.87 56.59 1j5i n SER 64 Cb 0.40 -1.45 -0.12 0.00 -1.01 0.00 0.00 64.21 62.04 1j5i n SER 64 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1j5i s THR 65 N -0.23 3.69 0.04 0.44 -4.23 -0.27 -4.84 115.64 110.23 1j5i s THR 65 Ca 0.37 -0.47 -0.18 0.00 -1.18 0.00 0.00 61.69 60.24 1j5i s THR 65 Cb 0.01 -2.54 -0.06 0.00 1.34 0.00 0.00 72.50 71.25 1j5i s THR 65 CO 0.01 0.57 0.51 -0.94 -0.54 0.00 0.00 174.62 174.22 1j5i s SER 66 N -0.43 6.96 0.17 3.99 1.04 -1.26 0.44 113.70 124.61 1j5i s SER 66 Ca 0.06 1.14 -0.04 0.00 0.48 0.00 0.00 55.95 57.60 1j5i s SER 66 Cb -0.12 -2.32 -0.03 0.00 0.10 0.00 0.00 66.02 63.65 1j5i s SER 66 CO 0.02 0.29 0.16 -0.76 0.98 0.00 0.00 173.24 173.93 1j5i s LEU 67 N -1.05 1.30 -0.15 2.42 2.01 -0.62 -4.92 118.68 117.67 1j5i s LEU 67 Ca 0.27 -1.16 -0.05 0.00 0.01 0.00 0.00 54.13 53.20 1j5i s LEU 67 Cb -0.18 0.64 -0.03 0.00 0.01 0.00 0.00 46.19 46.62 1j5i s LEU 67 CO 0.17 -0.83 0.02 -0.89 1.01 0.00 0.00 176.35 175.82 1j5i s THR 68 N -4.06 4.38 -1.07 5.49 2.01 -1.26 -1.48 115.64 119.66 1j5i s THR 68 Ca 0.26 -0.19 -0.16 0.00 0.31 0.00 0.00 61.69 61.91 1j5i s THR 68 Cb 0.06 -2.93 0.15 0.00 0.01 0.00 0.00 72.50 69.79 1j5i s THR 68 CO 0.05 0.51 1.28 -0.69 -0.69 0.00 0.00 174.62 175.08 1j5i s VAL 69 N 0.03 4.86 -1.42 3.82 1.01 0.71 -4.77 120.40 124.64 1j5i s VAL 69 Ca 0.03 -2.09 -0.07 0.00 0.00 0.00 0.00 61.98 59.85 1j5i s VAL 69 Cb -0.13 -4.85 0.05 0.00 0.00 0.00 0.00 36.38 31.46 1j5i s VAL 69 CO 0.02 -1.57 2.55 0.54 0.00 0.00 0.00 175.10 176.63 1j5i n ARG 70 N 6.14 4.22 -0.50 2.72 1.74 -1.26 -1.31 116.66 128.41 1j5i n ARG 70 Ca 0.30 -3.03 0.39 0.00 -0.77 0.00 0.00 57.85 54.74 1j5i n ARG 70 Cb 0.46 -2.72 0.62 0.00 -1.02 0.00 0.00 32.46 29.81 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 2.54 -0.01 -3.78 5.56 0.63 -1.26 -3.73 116.66 116.61 1j5i n ARG 71 Ca 0.66 0.96 -0.36 0.00 -0.92 0.00 0.00 57.85 58.19 1j5i n ARG 71 Cb 0.25 -2.05 -0.10 0.00 0.45 0.00 0.00 32.46 31.01 1j5i n ARG 71 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1j5i s SER 72 N -4.09 5.80 0.00 6.15 1.04 -1.24 -0.04 113.70 121.32 1j5i s SER 72 Ca -0.05 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1j5i s SER 72 Cb 0.24 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 64.32 1j5i s SER 72 CO 0.71 0.07 0.00 2.22 0.98 0.00 0.00 173.24 177.22 1j5i n PHE 73 N 4.21 0.00 -3.12 5.02 1.16 -0.60 -4.93 117.46 119.21 1j5i n PHE 73 Ca -0.16 0.00 -0.44 0.00 -1.87 0.00 0.00 57.45 54.99 1j5i n PHE 73 Cb 0.52 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.33 1j5i n PHE 73 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 1j5i s GLU 74 N -2.00 3.16 1.00 3.97 2.56 -1.26 -0.57 118.70 125.56 1j5i s GLU 74 Ca 0.00 -0.77 -0.12 0.00 0.00 0.00 0.00 54.97 54.08 1j5i s GLU 74 Cb 0.00 -4.08 0.19 0.00 2.00 0.00 0.00 34.13 32.24 1j5i s GLU 74 CO 0.00 -1.24 1.08 0.20 -0.56 0.00 0.00 175.26 174.74 1j5i s GLY 75 N 2.65 1.59 -0.10 -1.50 0.00 0.41 -3.41 107.32 106.96 1j5i s GLY 75 Ca 0.17 -0.12 -0.03 0.00 0.00 0.00 0.00 44.72 44.74 1j5i s GLY 75 CO 0.13 0.46 0.13 -0.12 0.00 0.00 0.00 173.10 173.70 1j5i s PHE 76 N -2.80 -0.07 0.21 1.90 2.19 0.18 -1.39 117.98 118.21 1j5i s PHE 76 Ca 0.66 0.33 -0.32 0.00 0.33 0.00 0.00 56.93 57.92 1j5i s PHE 76 Cb -0.20 -0.40 -0.12 0.00 -1.31 0.00 0.00 43.02 40.98 1j5i s PHE 76 CO 0.59 -0.33 1.66 1.28 1.83 0.00 0.00 175.22 180.26 1j5i n LEU 77 N 5.31 3.84 -0.11 6.12 4.77 0.62 -0.69 117.00 136.86 1j5i n LEU 77 Ca -0.05 1.08 0.27 0.00 -0.03 0.00 0.00 56.01 57.28 1j5i n LEU 77 Cb 0.50 -1.54 0.72 0.00 -2.33 0.00 0.00 43.42 40.76 1j5i n LEU 77 CO 0.06 0.06 1.24 0.15 -1.33 0.00 0.00 177.39 177.57 1j5i h PHE 78 N 6.19 0.00 -0.31 -1.77 3.57 -1.49 -0.16 116.94 122.96 1j5i h PHE 78 Ca -0.44 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.13 1j5i h PHE 78 Cb 1.22 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.88 1j5i h PHE 78 CO 0.62 0.00 -0.25 0.22 -2.23 0.00 0.00 178.31 176.67 1j5i h ASP 79 N 0.00 -0.83 0.00 0.41 -0.00 -1.88 -3.46 116.42 110.67 1j5i h ASP 79 Ca 0.37 0.16 0.00 0.00 -0.00 0.00 0.00 57.03 57.56 1j5i h ASP 79 Cb 1.67 0.40 0.00 0.00 -0.00 0.00 0.00 39.33 41.40 1j5i h ASP 79 CO -0.00 -0.28 0.00 0.61 -0.00 0.00 0.00 179.24 179.57 1j5i n GLY 80 N -1.39 0.36 3.84 -0.78 0.00 -0.07 -5.14 105.19 102.00 1j5i n GLY 80 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 0.19 2.61 2.01 -1.24 -4.89 115.64 119.12 1j5i s THR 81 Ca 0.00 0.89 -0.26 0.00 0.31 0.00 0.00 61.69 62.63 1j5i s THR 81 Cb 0.00 -3.74 -0.08 0.00 0.01 0.00 0.00 72.50 68.69 1j5i s THR 81 CO 0.00 0.19 0.81 -0.13 -0.69 0.00 0.00 174.62 174.80 1j5i s ARG 82 N -2.08 4.60 0.00 4.92 0.52 -1.26 -0.27 118.95 125.37 1j5i s ARG 82 Ca 0.40 1.20 0.00 0.00 -0.52 0.00 0.00 55.73 56.82 1j5i s ARG 82 Cb -0.15 -3.22 0.00 0.00 0.52 0.00 0.00 34.95 32.11 1j5i s ARG 82 CO 0.20 0.54 0.00 1.87 0.02 0.00 0.00 175.30 177.92 1j5i n TRP 83 N 1.46 0.00 0.00 -0.53 -0.00 -0.49 -4.79 117.44 113.10 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 3.71 -0.70 2.89 5.87 0.00 -1.06 -4.75 105.19 111.15 1j5i n GLY 84 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 0.16 114.28 114.75 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 -1.69 12.58 0.31 0.26 -4.61 118.33 125.19 1j5i n VAL 86 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 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 4.87 -0.59 4.52 2.15 -1.26 -1.55 116.67 120.81 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 -2.51 -0.14 0.00 -0.30 0.00 0.00 42.92 39.97 1j5i s ASP 87 CO 0.00 -2.54 3.23 0.00 -0.17 0.00 0.00 175.17 175.68 1j5i n THR 89 N 2.44 0.58 -0.09 0.00 5.66 -1.26 -4.49 114.28 117.13 1j5i n THR 89 Ca 0.55 -0.60 -0.14 0.00 -3.05 0.00 0.00 64.05 60.80 1j5i n THR 89 Cb 0.63 -0.28 -0.07 0.00 -1.55 0.00 0.00 70.33 69.06 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 0.56 -3.44 1.09 2.02 -1.99 -3.47 112.91 107.69 1j5i h THR 90 Ca -0.12 -1.69 -0.54 0.00 0.77 0.00 0.00 66.41 64.83 1j5i h THR 90 Cb 1.31 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 69.02 1j5i h THR 90 CO 0.01 0.19 0.11 0.00 0.37 0.00 0.00 175.52 176.21 1j5i s ALA 91 N -2.51 3.49 -0.25 6.16 0.00 -1.26 -5.02 121.76 122.37 1j5i s ALA 91 Ca -0.22 0.26 -0.29 0.00 0.00 0.00 0.00 51.96 51.71 1j5i s ALA 91 Cb 0.04 -2.85 0.01 0.00 0.00 0.00 0.00 23.12 20.32 1j5i s ALA 91 CO 0.43 0.33 1.04 0.00 0.00 0.00 0.00 175.76 177.56 1j5i s ALA 92 N -1.15 3.64 -0.19 0.00 0.00 -1.26 -4.81 121.76 117.98 1j5i s ALA 92 Ca 0.34 0.11 -0.19 0.00 0.00 0.00 0.00 51.96 52.22 1j5i s ALA 92 Cb -0.22 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.30 1j5i s ALA 92 CO 0.24 -1.15 0.55 0.00 0.00 0.00 0.00 175.76 175.40 1j5i s GLN 94 N 1.62 3.36 -0.53 0.00 -0.21 -0.46 -0.75 119.66 122.68 1j5i s GLN 94 Ca 0.26 -0.66 -0.23 0.00 0.02 0.00 0.00 55.36 54.74 1j5i s GLN 94 Cb -0.16 -3.86 0.04 0.00 1.00 0.00 0.00 33.01 30.03 1j5i s GLN 94 CO 0.10 -0.58 0.87 0.08 -2.12 0.00 0.00 175.29 173.64 1j5i s VAL 95 N 1.86 4.50 0.38 1.09 1.01 -0.51 -0.20 120.40 128.53 1j5i s VAL 95 Ca 0.08 0.19 -0.09 0.00 0.00 0.00 0.00 61.98 62.16 1j5i s VAL 95 Cb -0.17 -4.47 0.04 0.00 0.00 0.00 0.00 36.38 31.77 1j5i s VAL 95 CO 0.11 -1.00 0.67 -0.83 0.00 0.00 0.00 175.10 174.05 1j5i s GLY 96 N 2.70 0.90 -0.02 4.51 0.00 -0.54 -1.02 107.32 113.85 1j5i s GLY 96 Ca 0.28 -1.12 -0.00 0.00 0.00 0.00 0.00 44.72 43.88 1j5i s GLY 96 CO 0.19 -0.62 0.04 0.48 0.00 0.00 0.00 173.10 173.19 1j5i s LEU 97 N -3.16 3.70 0.07 0.66 -0.00 -1.25 -0.01 118.68 118.68 1j5i s LEU 97 Ca 0.22 0.09 -0.21 0.00 -0.00 0.00 0.00 54.13 54.23 1j5i s LEU 97 Cb -0.03 -2.08 -0.06 0.00 -0.00 0.00 0.00 46.19 44.02 1j5i s LEU 97 CO 0.16 0.30 0.64 -0.94 -0.00 0.00 0.00 176.35 176.51 1j5i s SER 98 N -1.48 7.12 0.67 1.48 1.04 0.10 -4.43 113.70 118.20 1j5i s SER 98 Ca 0.19 1.33 -0.11 0.00 0.48 0.00 0.00 55.95 57.84 1j5i s SER 98 Cb -0.12 -2.40 -0.00 0.00 0.10 0.00 0.00 66.02 63.60 1j5i s SER 98 CO 0.10 0.19 1.05 -1.81 0.98 0.00 0.00 173.24 173.75 1j5i s ASP 99 N -0.75 5.58 0.00 7.02 -0.00 0.24 -3.05 116.67 125.72 1j5i s ASP 99 Ca 0.32 1.59 0.14 0.00 -0.00 0.00 0.00 52.55 54.60 1j5i s ASP 99 Cb -0.20 -2.49 0.59 0.00 -0.00 0.00 0.00 42.92 40.82 1j5i s ASP 99 CO 0.20 -1.31 1.42 0.00 -0.00 0.00 0.00 175.17 175.48 1j5i n ALA 100 N -2.98 2.52 -0.03 5.23 0.00 -1.26 -3.30 120.51 120.68 1j5i n ALA 100 Ca 0.07 -0.38 -0.11 0.00 0.00 0.00 0.00 53.44 53.02 1j5i n ALA 100 Cb 0.54 -1.09 -0.14 0.00 0.00 0.00 0.00 19.45 18.76 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 0.01 1.38 0.00 0.00 0.00 -1.26 -4.98 120.51 115.66 1j5i n ALA 101 Ca 0.12 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1j5i n ALA 101 Cb 0.21 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 1.67 1.08 3.24 0.00 0.00 -1.21 -5.15 105.19 104.82 1j5i n GLY 102 Ca -0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 -0.11 -0.46 1.61 0.01 -1.26 -5.03 114.94 107.71 1j5i s ASN 103 Ca 0.00 -0.20 0.09 0.00 -0.71 0.00 0.00 52.86 52.04 1j5i s ASN 103 Cb 0.00 0.35 0.32 0.00 0.41 0.00 0.00 41.25 42.33 1j5i s ASN 103 CO 0.00 -0.60 0.74 0.61 -1.51 0.00 0.00 177.10 176.34 1j5i n GLY 104 N 0.61 4.09 0.21 0.66 0.00 -1.26 -0.59 105.19 108.92 1j5i n GLY 104 Ca -0.19 -2.06 0.10 0.00 0.00 0.00 0.00 46.02 43.88 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 3.32 0.00 -6.58 1.61 0.13 -1.99 -3.44 132.00 125.06 1j5i h PRO 105 Ca 0.11 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.72 1j5i h PRO 105 Cb 0.80 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.90 1j5i h PRO 105 CO 0.61 0.19 0.16 -2.00 -0.23 0.00 0.00 178.00 176.73 1j5i s GLU 106 N -3.40 4.41 0.00 0.86 -6.30 -1.26 -5.00 118.70 108.00 1j5i s GLU 106 Ca 0.03 1.02 0.00 0.00 -2.50 0.00 0.00 54.97 53.52 1j5i s GLU 106 Cb 0.08 -3.03 0.00 0.00 0.00 0.00 0.00 34.13 31.19 1j5i s GLU 106 CO 0.65 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.80 1j5i n GLY 107 N 1.06 4.45 3.49 -1.50 0.00 -1.26 -3.97 105.19 107.46 1j5i n GLY 107 Ca -0.03 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.64 4.43 -0.67 1.61 0.11 -0.19 -4.71 120.40 120.34 1j5i s VAL 108 Ca 0.00 -0.14 -0.26 0.00 -2.93 0.00 0.00 61.98 58.65 1j5i s VAL 108 Cb 0.00 -3.06 -0.10 0.00 -1.53 0.00 0.00 36.38 31.69 1j5i s VAL 108 CO 0.00 0.36 2.38 0.00 -3.33 0.00 0.00 175.10 174.52 1j5i s ALA 109 N 1.36 1.12 0.34 1.54 0.00 -1.26 -1.43 121.76 123.43 1j5i s ALA 109 Ca 0.05 -0.49 -0.05 0.00 0.00 0.00 0.00 51.96 51.48 1j5i s ALA 109 Cb -0.15 -4.48 -0.05 0.00 0.00 0.00 0.00 23.12 18.45 1j5i s ALA 109 CO 0.04 -5.27 0.62 -1.50 0.00 0.00 0.00 175.76 169.65 1j5i s ILE 110 N 13.52 4.99 0.00 0.00 1.10 0.07 -4.74 121.20 136.14 1j5i s ILE 110 Ca 0.93 0.07 0.00 0.00 -0.51 0.00 0.00 60.65 61.14 1j5i s ILE 110 Cb -0.14 -3.77 0.00 0.00 0.15 0.00 0.00 42.46 38.69 1j5i s ILE 110 CO 0.15 -0.47 0.00 -1.20 -2.11 0.00 0.00 174.94 171.31 1j5i n SER 111 N -1.33 0.00 -3.95 4.50 7.64 -0.67 -3.89 113.62 115.92 1j5i n SER 111 Ca -0.01 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.73 1j5i n SER 111 Cb 0.54 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.36 -2.00 1.43 -0.12 -1.16 0.70 117.98 117.19 1j5i s PHE 112 Ca 0.00 -0.16 0.19 0.00 -0.05 0.00 0.00 56.93 56.92 1j5i s PHE 112 Cb 0.00 -0.23 1.16 0.00 -0.63 0.00 0.00 43.02 43.32 1j5i s PHE 112 CO 0.00 -0.03 1.55 -1.71 -0.05 0.00 0.00 175.22 174.98