#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 -1.58 -1.57 0.00 0.00 -1.26 -4.85 120.51 111.25 1j5i n ALA 2 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1j5i n ALA 2 Cb 0.00 -0.40 0.06 0.00 0.00 0.00 0.00 19.45 19.10 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 -5.30 2.81 0.43 0.00 0.04 -1.26 -4.75 135.00 126.98 1j5i s PRO 3 Ca 0.00 0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1j5i s PRO 3 Cb 0.00 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1j5i s PRO 3 CO 0.00 -1.17 0.00 0.25 0.04 0.00 0.00 177.00 176.12 1j5i n THR 4 N -3.17 0.00 -1.69 1.26 -2.24 -1.25 -4.59 114.28 102.60 1j5i n THR 4 Ca 0.07 0.37 -0.54 0.00 -2.27 0.00 0.00 64.05 61.68 1j5i n THR 4 Cb 0.54 -0.83 -0.06 0.00 -2.10 0.00 0.00 70.33 67.87 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 -3.04 0.10 -3.09 6.98 0.00 -1.25 -3.86 120.51 116.36 1j5i n ALA 5 Ca -0.03 0.37 -0.11 0.00 0.00 0.00 0.00 53.44 53.67 1j5i n ALA 5 Cb 0.67 -2.30 -0.10 0.00 0.00 0.00 0.00 19.45 17.72 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 3.38 0.07 -0.51 0.00 -4.23 0.06 -4.13 115.64 110.28 1j5i s THR 6 Ca 0.95 -0.56 -0.28 0.00 -1.18 0.00 0.00 61.69 60.62 1j5i s THR 6 Cb -0.94 -0.38 0.01 0.00 1.34 0.00 0.00 72.50 72.53 1j5i s THR 6 CO 0.59 -0.31 1.42 -0.69 -0.54 0.00 0.00 174.62 175.10 1j5i s VAL 7 N -1.09 3.82 0.09 2.29 1.01 -1.26 -1.62 120.40 123.65 1j5i s VAL 7 Ca -0.12 0.76 -0.17 0.00 0.00 0.00 0.00 61.98 62.45 1j5i s VAL 7 Cb -0.06 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 1j5i s VAL 7 CO 0.01 -1.02 1.10 0.41 0.00 0.00 0.00 175.10 175.60 1j5i n THR 8 N 6.95 -0.38 -0.01 3.92 -1.04 -0.67 -4.46 114.28 118.58 1j5i n THR 8 Ca 0.14 1.70 0.00 0.00 -2.04 0.00 0.00 64.05 63.85 1j5i n THR 8 Cb 0.49 -2.14 0.00 0.00 -1.82 0.00 0.00 70.33 66.86 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 -4.33 0.97 -0.10 -2.82 -0.04 -1.26 -5.03 135.00 122.39 1j5i n PRO 9 Ca 0.01 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.30 1j5i n PRO 9 Cb 0.14 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.52 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 -0.06 1.85 -0.94 3.54 7.64 -1.26 -4.95 113.62 119.44 1j5i n SER 10 Ca 0.00 0.48 0.11 0.00 1.01 0.00 0.00 58.87 60.47 1j5i n SER 10 Cb 0.00 -0.93 -0.03 0.00 -1.01 0.00 0.00 64.21 62.24 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 -4.48 -4.83 0.00 6.43 3.41 -1.26 -1.53 113.62 111.36 1j5i n SER 11 Ca -0.26 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1j5i n SER 11 Cb 0.57 -3.02 0.00 0.00 -0.26 0.00 0.00 64.21 61.50 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 -2.98 2.85 0.00 5.00 0.00 -1.24 -0.55 105.19 108.27 1j5i n GLY 12 Ca -0.01 -0.72 0.10 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 -3.73 0.99 4.32 0.22 -2.79 117.00 116.01 1j5i n LEU 13 Ca 0.00 0.45 -0.29 0.00 -0.02 0.00 0.00 56.01 56.14 1j5i n LEU 13 Cb 0.00 -0.45 -0.13 0.00 -1.62 0.00 0.00 43.42 41.22 1j5i n LEU 13 CO 0.00 -0.14 -0.24 -0.55 -1.22 0.00 0.00 177.39 175.24 1j5i s SER 14 N -2.90 3.68 -0.34 -1.43 0.15 -1.26 -4.72 113.70 106.88 1j5i s SER 14 Ca 0.12 -2.70 -0.28 0.00 0.70 0.00 0.00 55.95 53.80 1j5i s SER 14 Cb 0.13 -1.08 -0.04 0.00 -1.71 0.00 0.00 66.02 63.32 1j5i s SER 14 CO 0.35 -0.26 2.08 1.51 1.20 0.00 0.00 173.24 178.12 1j5i s ASP 15 N 0.25 5.40 0.00 5.45 -4.77 -1.25 -1.51 116.67 120.24 1j5i s ASP 15 Ca 0.18 1.40 0.00 0.00 -3.30 0.00 0.00 52.55 50.83 1j5i s ASP 15 Cb -0.23 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.08 1j5i s ASP 15 CO -0.01 -2.08 0.00 0.61 0.70 0.00 0.00 175.17 174.39 1j5i n GLY 16 N 5.69 1.75 3.61 2.12 0.00 0.49 -4.79 105.19 114.05 1j5i n GLY 16 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 4.96 -0.18 2.61 2.01 -0.57 -4.68 115.64 117.79 1j5i s THR 17 Ca 0.00 0.98 -0.29 0.00 0.31 0.00 0.00 61.69 62.69 1j5i s THR 17 Cb 0.00 -3.96 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 1j5i s THR 17 CO 0.00 -0.05 1.21 -0.69 -0.69 0.00 0.00 174.62 174.40 1j5i s VAL 18 N 2.55 4.37 0.39 3.82 1.01 -1.26 0.11 120.40 131.39 1j5i s VAL 18 Ca 0.25 1.65 0.04 0.00 0.00 0.00 0.00 61.98 63.92 1j5i s VAL 18 Cb -0.15 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1j5i s VAL 18 CO 0.10 -0.16 0.08 0.68 0.00 0.00 0.00 175.10 175.80 1j5i s VAL 19 N 3.46 1.00 -0.26 2.92 -7.23 -0.05 -4.94 120.40 115.29 1j5i s VAL 19 Ca 0.52 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.66 1j5i s VAL 19 Cb -0.20 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.23 1j5i s VAL 19 CO 0.13 0.00 -0.02 -0.75 -0.31 0.00 0.00 175.10 174.15 1j5i s LYS 20 N -3.81 2.86 -0.92 4.82 2.20 -1.26 -1.37 119.74 122.26 1j5i s LYS 20 Ca 0.27 -0.97 -0.19 0.00 -0.36 0.00 0.00 55.97 54.71 1j5i s LYS 20 Cb 0.05 -3.09 0.12 0.00 -1.51 0.00 0.00 37.83 33.40 1j5i s LYS 20 CO 0.13 -0.43 1.15 0.08 -0.36 0.00 0.00 175.35 175.93 1j5i s VAL 21 N 1.36 4.60 -0.22 4.02 1.01 0.20 -1.67 120.40 129.70 1j5i s VAL 21 Ca 0.00 -1.40 -0.11 0.00 0.00 0.00 0.00 61.98 60.47 1j5i s VAL 21 Cb -0.17 -4.81 -0.05 0.00 0.00 0.00 0.00 36.38 31.35 1j5i s VAL 21 CO -0.03 -1.56 0.19 0.00 0.00 0.00 0.00 175.10 173.71 1j5i s ALA 22 N 3.05 3.62 -0.25 5.51 0.00 -0.64 -1.30 121.76 131.76 1j5i s ALA 22 Ca 0.34 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 1j5i s ALA 22 Cb -0.05 -2.32 0.08 0.00 0.00 0.00 0.00 23.12 20.82 1j5i s ALA 22 CO -0.08 -0.07 0.04 0.20 0.00 0.00 0.00 175.76 175.85 1j5i s GLY 23 N 0.79 0.97 -0.47 0.00 0.00 0.15 -0.76 107.32 107.99 1j5i s GLY 23 Ca 0.10 -1.21 -0.22 0.00 0.00 0.00 0.00 44.72 43.39 1j5i s GLY 23 CO 0.03 1.40 0.74 0.00 0.00 0.00 0.00 173.10 175.27 1j5i s ALA 24 N 1.67 3.30 0.00 3.20 0.00 -1.24 -0.74 121.76 127.95 1j5i s ALA 24 Ca 0.02 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1j5i s ALA 24 Cb -0.17 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1j5i s ALA 24 CO -0.14 -1.97 0.00 0.41 0.00 0.00 0.00 175.76 174.06 1j5i n GLY 25 N 5.05 0.89 0.00 0.00 0.00 0.56 -3.76 105.19 107.93 1j5i n GLY 25 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.33 0.00 -1.28 0.99 0.00 -0.67 -4.47 117.00 111.24 1j5i n LEU 26 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 56.01 56.05 1j5i n LEU 26 Cb 0.42 0.00 0.24 0.00 0.00 0.00 0.00 43.42 44.08 1j5i n LEU 26 CO 0.00 0.00 0.63 0.00 0.00 0.00 0.00 177.39 178.02 1j5i n GLN 27 N 0.00 3.21 0.00 1.96 1.13 -1.26 -4.83 117.38 117.59 1j5i n GLN 27 Ca 0.00 -1.85 0.00 0.00 -1.94 0.00 0.00 57.00 53.21 1j5i n GLN 27 Cb 0.00 -1.90 0.00 0.00 0.11 0.00 0.00 30.24 28.45 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 0.41 0.00 0.00 -1.58 0.00 -1.26 -1.96 120.51 116.12 1j5i n ALA 28 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1j5i n ALA 28 Cb 0.78 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.15 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 -1.97 0.44 0.00 0.00 0.00 -1.25 -1.57 105.19 100.84 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 -3.75 2.61 -1.04 -0.83 -3.11 114.28 108.16 1j5i n THR 30 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 1j5i n THR 30 Cb 0.00 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.34 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 -2.10 1.01 0.35 2.41 0.00 -1.26 -1.66 121.76 120.50 1j5i s ALA 31 Ca 0.00 -0.64 0.06 0.00 0.00 0.00 0.00 51.96 51.39 1j5i s ALA 31 Cb 0.00 -1.12 -0.07 0.00 0.00 0.00 0.00 23.12 21.93 1j5i s ALA 31 CO 0.00 -1.05 -0.00 0.71 0.00 0.00 0.00 175.76 175.42 1j5i s TYR 32 N 1.85 2.25 -0.33 0.00 1.51 0.32 -4.71 117.35 118.24 1j5i s TYR 32 Ca -0.00 -0.73 -0.20 0.00 -1.01 0.00 0.00 57.07 55.13 1j5i s TYR 32 Cb -0.16 -1.46 -0.00 0.00 -0.11 0.00 0.00 41.96 40.22 1j5i s TYR 32 CO -0.07 0.32 0.61 -0.51 -1.11 0.00 0.00 175.55 174.78 1j5i s ASP 33 N -3.58 6.43 0.28 2.29 1.01 -0.30 -0.56 116.67 122.24 1j5i s ASP 33 Ca 0.34 0.23 -0.28 0.00 0.71 0.00 0.00 52.55 53.55 1j5i s ASP 33 Cb 0.07 -2.32 -0.09 0.00 1.01 0.00 0.00 42.92 41.59 1j5i s ASP 33 CO 0.16 -0.53 0.96 0.54 0.21 0.00 0.00 175.17 176.51 1j5i s VAL 34 N 2.61 4.06 0.00 -1.27 0.11 -0.50 -0.01 120.40 125.40 1j5i s VAL 34 Ca 0.24 1.93 0.00 0.00 -2.93 0.00 0.00 61.98 61.21 1j5i s VAL 34 Cb -0.15 -4.17 0.00 0.00 -1.53 0.00 0.00 36.38 30.53 1j5i s VAL 34 CO 0.13 0.35 0.00 0.61 -3.33 0.00 0.00 175.10 172.86 1j5i n GLY 35 N 1.10 2.20 3.38 6.54 0.00 0.60 -0.30 105.19 118.71 1j5i n GLY 35 Ca -0.00 -0.64 -0.45 0.00 0.00 0.00 0.00 46.02 44.93 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 3.14 0.16 1.61 -0.21 -1.26 -1.72 119.66 119.39 1j5i s GLN 36 Ca 0.00 -1.43 0.05 0.00 0.02 0.00 0.00 55.36 54.01 1j5i s GLN 36 Cb 0.00 -4.34 -0.04 0.00 1.00 0.00 0.00 33.01 29.63 1j5i s GLN 36 CO 0.00 -1.56 0.11 0.00 -2.12 0.00 0.00 175.29 171.71 1j5i s ALA 38 N -1.74 -2.37 -0.56 0.00 0.00 -0.57 -0.94 121.76 115.58 1j5i s ALA 38 Ca 0.30 1.02 -0.28 0.00 0.00 0.00 0.00 51.96 53.00 1j5i s ALA 38 Cb -0.10 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.21 1j5i s ALA 38 CO 0.22 -0.98 1.47 1.67 0.00 0.00 0.00 175.76 178.14 1j5i s TRP 39 N -2.17 2.20 -0.23 0.00 1.48 -1.26 0.60 118.94 119.57 1j5i s TRP 39 Ca 0.14 0.49 -0.18 0.00 -1.06 0.00 0.00 56.10 55.49 1j5i s TRP 39 Cb 0.06 -4.36 -0.17 0.00 -1.16 0.00 0.00 33.47 27.84 1j5i s TRP 39 CO -0.05 -2.06 0.01 1.55 -4.06 0.00 0.00 176.95 172.33 1j5i n VAL 40 N 6.90 1.54 -1.88 -0.66 3.14 -0.37 -4.62 118.33 122.38 1j5i n VAL 40 Ca 0.13 -0.19 -0.10 0.00 -2.96 0.00 0.00 64.34 61.22 1j5i n VAL 40 Cb 0.49 -1.96 0.06 0.00 -1.06 0.00 0.00 33.84 31.38 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 -4.31 0.29 -4.51 6.55 4.64 -1.16 -4.85 116.55 113.21 1j5i n ASP 41 Ca -0.40 -1.32 -0.15 0.00 -1.38 0.00 0.00 54.79 51.53 1j5i n ASP 41 Cb 0.78 -0.33 -0.12 0.00 -1.04 0.00 0.00 41.12 40.40 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 -2.35 0.00 -1.64 5.18 -1.04 -1.26 -1.57 114.28 111.60 1j5i n THR 42 Ca 0.07 -0.44 -0.16 0.00 -2.04 0.00 0.00 64.05 61.47 1j5i n THR 42 Cb 0.23 -1.24 -0.06 0.00 -1.82 0.00 0.00 70.33 67.44 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 6.17 1.20 3.57 3.41 0.00 -1.26 -4.91 105.19 113.38 1j5i n GLY 43 Ca 0.50 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.47 5.19 -0.62 1.61 1.01 -0.61 -4.98 120.40 119.54 1j5i s VAL 44 Ca 0.00 0.25 -0.26 0.00 0.00 0.00 0.00 61.98 61.97 1j5i s VAL 44 Cb 0.00 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1j5i s VAL 44 CO 0.00 0.05 1.91 -0.76 0.00 0.00 0.00 175.10 176.30 1j5i s LEU 45 N 1.99 3.29 -0.07 3.92 1.43 -1.26 -1.23 118.68 126.74 1j5i s LEU 45 Ca 0.12 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 1j5i s LEU 45 Cb -0.16 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 1j5i s LEU 45 CO 0.11 -2.45 -0.09 0.00 0.23 0.00 0.00 176.35 174.15 1j5i s ALA 46 N 9.42 2.86 0.12 4.21 0.00 0.20 -1.64 121.76 136.93 1j5i s ALA 46 Ca 0.70 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.79 1j5i s ALA 46 Cb -0.13 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1j5i s ALA 46 CO 0.20 0.51 0.11 0.00 0.00 0.00 0.00 175.76 176.58 1j5i s ASN 48 N -2.71 3.94 0.09 0.00 0.02 -1.17 -0.21 114.94 114.89 1j5i s ASN 48 Ca 0.30 0.80 0.23 0.00 -1.02 0.00 0.00 52.86 53.17 1j5i s ASN 48 Cb -0.11 -1.28 0.92 0.00 0.02 0.00 0.00 41.25 40.80 1j5i s ASN 48 CO 0.23 -2.26 1.72 -0.81 0.02 0.00 0.00 177.10 175.99 1j5i n PRO 49 N -3.55 0.08 -0.48 -0.60 -0.04 -1.22 -2.17 135.00 127.02 1j5i n PRO 49 Ca 0.08 0.19 0.08 0.00 -0.04 0.00 0.00 63.50 63.82 1j5i n PRO 49 Cb 0.60 -1.62 0.28 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.60 2.95 1.11 0.55 0.00 -1.26 -4.31 120.51 117.94 1j5i n ALA 50 Ca 0.05 -1.86 0.08 0.00 0.00 0.00 0.00 53.44 51.71 1j5i n ALA 50 Cb 0.28 -0.77 0.28 0.00 0.00 0.00 0.00 19.45 19.25 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 1.69 -4.19 0.00 -0.08 -0.92 -4.50 116.55 108.76 1j5i n ASP 51 Ca 0.21 -1.83 -0.40 0.00 -1.51 0.00 0.00 54.79 51.26 1j5i n ASP 51 Cb 0.83 -0.16 -0.07 0.00 2.34 0.00 0.00 41.12 44.06 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 -1.69 3.51 -0.46 -0.67 0.08 -1.20 -3.12 117.98 114.42 1j5i s PHE 52 Ca 0.28 -2.27 0.06 0.00 0.12 0.00 0.00 56.93 55.12 1j5i s PHE 52 Cb 0.15 -3.45 0.19 0.00 -0.57 0.00 0.00 43.02 39.34 1j5i s PHE 52 CO 0.21 -0.93 0.57 0.43 -0.10 0.00 0.00 175.22 175.40 1j5i n SER 53 N 4.08 -1.98 -4.49 1.36 7.64 0.58 -4.97 113.62 115.85 1j5i n SER 53 Ca 0.04 -2.71 -0.47 0.00 1.01 0.00 0.00 58.87 56.75 1j5i n SER 53 Cb 0.41 0.66 -0.03 0.00 -1.01 0.00 0.00 64.21 64.25 1j5i n SER 53 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1j5i n SER 54 N 2.71 -0.01 -3.60 6.43 3.41 -1.26 -1.41 113.62 119.89 1j5i n SER 54 Ca 0.23 1.15 -0.10 0.00 -0.26 0.00 0.00 58.87 59.89 1j5i n SER 54 Cb 0.53 -1.10 -0.02 0.00 -0.26 0.00 0.00 64.21 63.36 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 -0.94 0.00 0.07 -3.33 0.11 0.27 -4.75 120.40 111.83 1j5i s VAL 55 Ca 0.63 -0.41 0.02 0.00 -2.93 0.00 0.00 61.98 59.29 1j5i s VAL 55 Cb -0.84 -1.42 -0.03 0.00 -1.53 0.00 0.00 36.38 32.56 1j5i s VAL 55 CO 0.57 0.00 -0.08 -0.89 -3.33 0.00 0.00 175.10 171.38 1j5i s THR 56 N -3.80 0.65 -0.03 5.04 2.01 -1.26 -0.52 115.64 117.72 1j5i s THR 56 Ca 0.05 -1.48 -0.03 0.00 0.31 0.00 0.00 61.69 60.54 1j5i s THR 56 Cb -0.03 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 1j5i s THR 56 CO -0.05 -0.59 0.17 0.00 -0.69 0.00 0.00 174.62 173.46 1j5i s ALA 57 N -2.38 3.93 0.95 7.40 0.00 -0.66 -4.54 121.76 126.46 1j5i s ALA 57 Ca 0.00 -0.74 -0.11 0.00 0.00 0.00 0.00 51.96 51.11 1j5i s ALA 57 Cb -0.03 -1.89 0.13 0.00 0.00 0.00 0.00 23.12 21.33 1j5i s ALA 57 CO -0.02 0.72 0.95 -0.25 0.00 0.00 0.00 175.76 177.16 1j5i n ASP 58 N 1.15 -0.43 -0.43 0.00 8.00 0.16 -3.99 116.55 121.00 1j5i n ASP 58 Ca -0.13 0.34 0.38 0.00 0.71 0.00 0.00 54.79 56.09 1j5i n ASP 58 Cb 0.53 -1.39 0.65 0.00 -0.02 0.00 0.00 41.12 40.89 1j5i n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j5i n ALA 59 N -4.18 1.28 -0.55 2.24 0.00 -1.26 0.36 120.51 118.40 1j5i n ALA 59 Ca 0.10 0.88 -0.12 0.00 0.00 0.00 0.00 53.44 54.30 1j5i n ALA 59 Cb 0.53 -1.03 0.04 0.00 0.00 0.00 0.00 19.45 18.99 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 -4.78 5.42 -4.40 0.00 5.15 -1.26 -4.54 115.26 110.84 1j5i n ASN 60 Ca 0.39 -2.86 -0.39 0.00 -0.60 0.00 0.00 54.58 51.12 1j5i n ASN 60 Cb 1.49 -0.94 -0.06 0.00 -0.53 0.00 0.00 39.78 39.73 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 0.35 -0.40 3.25 8.20 0.00 1.14 -3.30 105.19 114.43 1j5i n GLY 61 Ca 0.24 0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.36 6.04 -0.66 1.61 0.01 -0.96 0.21 113.70 116.58 1j5i s SER 62 Ca 0.73 -2.19 -0.15 0.00 1.31 0.00 0.00 55.95 55.65 1j5i s SER 62 Cb -0.42 -2.10 0.17 0.00 0.21 0.00 0.00 66.02 63.89 1j5i s SER 62 CO 0.99 -0.67 0.62 0.00 0.41 0.00 0.00 173.24 174.58 1j5i s ALA 63 N 0.96 3.84 -0.96 1.44 0.00 0.09 0.38 121.76 127.50 1j5i s ALA 63 Ca 0.09 -2.88 -0.03 0.00 0.00 0.00 0.00 51.96 49.14 1j5i s ALA 63 Cb -0.23 -3.38 0.26 0.00 0.00 0.00 0.00 23.12 19.77 1j5i s ALA 63 CO -0.02 -2.13 1.02 0.43 0.00 0.00 0.00 175.76 175.05 1j5i n SER 64 N 4.70 4.97 -4.56 0.00 7.64 -1.24 -0.68 113.62 124.45 1j5i n SER 64 Ca -0.02 -3.21 -0.34 0.00 1.01 0.00 0.00 58.87 56.31 1j5i n SER 64 Cb 0.43 -1.13 -0.11 0.00 -1.01 0.00 0.00 64.21 62.39 1j5i n SER 64 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1j5i s THR 65 N -1.82 4.11 -0.09 0.44 -1.32 -0.42 -4.85 115.64 111.69 1j5i s THR 65 Ca 0.31 -0.29 -0.16 0.00 -1.21 0.00 0.00 61.69 60.34 1j5i s THR 65 Cb -0.02 -2.79 -0.05 0.00 -1.51 0.00 0.00 72.50 68.13 1j5i s THR 65 CO -0.05 0.52 0.40 -0.94 -2.21 0.00 0.00 174.62 172.33 1j5i s SER 66 N 0.06 6.65 0.13 8.08 1.04 -1.26 0.58 113.70 128.98 1j5i s SER 66 Ca 0.01 0.77 -0.04 0.00 0.48 0.00 0.00 55.95 57.17 1j5i s SER 66 Cb -0.13 -2.24 -0.03 0.00 0.10 0.00 0.00 66.02 63.72 1j5i s SER 66 CO 0.02 0.15 0.13 -0.76 0.98 0.00 0.00 173.24 173.76 1j5i s LEU 67 N -0.04 1.55 -0.17 2.42 2.01 -0.47 -4.94 118.68 119.05 1j5i s LEU 67 Ca 0.22 -1.03 -0.21 0.00 0.01 0.00 0.00 54.13 53.13 1j5i s LEU 67 Cb -0.15 0.64 -0.03 0.00 0.01 0.00 0.00 46.19 46.66 1j5i s LEU 67 CO 0.09 -0.77 0.61 0.28 1.01 0.00 0.00 176.35 177.57 1j5i s THR 68 N -3.99 5.06 -0.88 5.49 -1.32 -1.26 -0.87 115.64 117.87 1j5i s THR 68 Ca 0.18 1.17 -0.20 0.00 -1.21 0.00 0.00 61.69 61.64 1j5i s THR 68 Cb 0.06 -3.93 0.12 0.00 -1.51 0.00 0.00 72.50 67.23 1j5i s THR 68 CO -0.01 0.17 1.10 -0.69 -2.21 0.00 0.00 174.62 172.98 1j5i s VAL 69 N 1.52 4.62 -0.95 5.08 1.01 0.31 -4.82 120.40 127.16 1j5i s VAL 69 Ca 0.29 -1.31 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 1j5i s VAL 69 Cb -0.16 -4.77 0.24 0.00 0.00 0.00 0.00 36.38 31.69 1j5i s VAL 69 CO 0.11 -1.51 0.87 -0.13 0.00 0.00 0.00 175.10 174.45 1j5i s ARG 70 N 3.04 3.54 0.35 2.72 0.52 -1.26 0.19 118.95 128.05 1j5i s ARG 70 Ca 0.31 -3.25 0.16 0.00 -0.52 0.00 0.00 55.73 52.43 1j5i s ARG 70 Cb -0.07 -4.13 1.17 0.00 0.52 0.00 0.00 34.95 32.43 1j5i s ARG 70 CO -0.06 -1.26 1.61 -0.09 0.02 0.00 0.00 175.30 175.53 1j5i h ARG 71 N 6.23 0.12 -6.76 3.54 1.12 -1.83 -3.38 114.38 113.42 1j5i h ARG 71 Ca 0.16 -0.01 -0.49 0.00 -1.11 0.00 0.00 59.98 58.54 1j5i h ARG 71 Cb 0.83 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.74 1j5i h ARG 71 CO 0.90 0.08 0.29 -1.54 -3.11 0.00 0.00 179.97 176.58 1j5i s SER 72 N -4.73 7.36 0.00 -3.80 1.04 -1.25 -1.62 113.70 110.70 1j5i s SER 72 Ca -0.10 1.77 0.00 0.00 0.48 0.00 0.00 55.95 58.10 1j5i s SER 72 Cb 0.32 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1j5i s SER 72 CO 0.78 0.03 0.00 2.22 0.98 0.00 0.00 173.24 177.25 1j5i n PHE 73 N 0.91 0.00 -3.14 5.02 1.16 0.05 -4.89 117.46 116.56 1j5i n PHE 73 Ca -0.01 0.00 -0.44 0.00 -1.87 0.00 0.00 57.45 55.13 1j5i n PHE 73 Cb 0.49 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.31 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 -1.97 3.10 0.63 3.97 2.12 -1.25 -0.10 118.70 125.19 1j5i s GLU 74 Ca 0.00 -1.02 -0.17 0.00 0.36 0.00 0.00 54.97 54.14 1j5i s GLU 74 Cb 0.00 -4.15 -0.02 0.00 0.26 0.00 0.00 34.13 30.22 1j5i s GLU 74 CO 0.00 -1.33 1.13 0.20 -0.54 0.00 0.00 175.26 174.73 1j5i s GLY 75 N 2.99 2.37 -0.04 -1.50 0.00 0.73 -3.40 107.32 108.48 1j5i s GLY 75 Ca 0.14 0.71 -0.01 0.00 0.00 0.00 0.00 44.72 45.56 1j5i s GLY 75 CO 0.10 1.07 0.03 -0.12 0.00 0.00 0.00 173.10 174.18 1j5i s PHE 76 N -2.07 0.18 0.72 1.90 2.19 0.71 -0.80 117.98 120.81 1j5i s PHE 76 Ca 0.70 0.13 -0.15 0.00 0.33 0.00 0.00 56.93 57.94 1j5i s PHE 76 Cb -0.23 -0.45 0.03 0.00 -1.31 0.00 0.00 43.02 41.06 1j5i s PHE 76 CO 0.37 -0.17 1.21 -0.51 1.83 0.00 0.00 175.22 177.94 1j5i s LEU 77 N 1.68 3.34 0.21 6.12 1.43 0.17 0.21 118.68 131.83 1j5i s LEU 77 Ca -0.01 2.35 0.15 0.00 -1.03 0.00 0.00 54.13 55.59 1j5i s LEU 77 Cb -0.13 -4.59 -0.01 0.00 0.03 0.00 0.00 46.19 41.49 1j5i s LEU 77 CO -0.03 -2.20 1.27 0.15 0.23 0.00 0.00 176.35 175.76 1j5i h PHE 78 N -0.21 0.00 -0.16 0.29 3.57 -1.53 -3.31 116.94 115.58 1j5i h PHE 78 Ca -0.48 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1j5i h PHE 78 Cb 1.30 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 1j5i h PHE 78 CO 0.47 0.57 0.10 0.22 -2.23 0.00 0.00 178.31 177.44 1j5i h ASP 79 N 0.00 0.17 0.00 0.41 1.82 -1.92 -3.46 116.42 113.44 1j5i h ASP 79 Ca -0.05 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1j5i h ASP 79 Cb 1.47 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.44 1j5i h ASP 79 CO 0.07 0.13 0.00 0.61 -1.61 0.00 0.00 179.24 178.43 1j5i n GLY 80 N -1.14 0.34 3.88 -0.78 0.00 -1.25 -5.15 105.19 101.10 1j5i n GLY 80 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 3.48 0.09 2.61 2.01 -1.26 -4.86 115.64 117.70 1j5i s THR 81 Ca 0.00 0.47 0.09 0.00 0.31 0.00 0.00 61.69 62.55 1j5i s THR 81 Cb 0.00 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 1j5i s THR 81 CO 0.00 -0.62 -0.20 0.00 -0.69 0.00 0.00 174.62 173.11 1j5i s ARG 82 N -5.35 1.84 0.00 4.92 1.70 -1.26 0.43 118.95 121.23 1j5i s ARG 82 Ca 0.58 -1.13 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 1j5i s ARG 82 Cb -0.11 -2.10 0.00 0.00 -0.57 0.00 0.00 34.95 32.17 1j5i s ARG 82 CO 0.52 0.50 0.00 1.87 -1.08 0.00 0.00 175.30 177.10 1j5i n TRP 83 N 1.14 0.00 0.00 5.89 -0.00 -0.19 -4.77 117.44 119.52 1j5i n TRP 83 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.34 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 3.22 2.08 5.00 5.87 0.00 0.02 -4.74 105.19 116.64 1j5i n GLY 84 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.19 114.28 114.40 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 1.33 -0.64 0.00 0.00 175.07 175.76 1j5i n VAL 86 N 0.00 0.00 -3.50 12.58 0.24 0.86 -4.87 118.33 123.64 1j5i n VAL 86 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 1j5i n VAL 86 Cb 0.00 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.24 1j5i n VAL 86 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1j5i s ASP 87 N -0.57 2.17 -1.28 -1.34 2.15 -1.26 -0.77 116.67 115.76 1j5i s ASP 87 Ca 0.00 -0.71 -0.07 0.00 0.43 0.00 0.00 52.55 52.20 1j5i s ASP 87 Cb 0.00 0.14 0.16 0.00 -0.30 0.00 0.00 42.92 42.91 1j5i s ASP 87 CO 0.00 -0.38 2.10 0.00 -0.17 0.00 0.00 175.17 176.72 1j5i n THR 89 N 2.36 0.00 -0.07 0.00 -1.04 -1.26 -4.53 114.28 109.74 1j5i n THR 89 Ca 0.50 -0.20 -0.04 0.00 -2.04 0.00 0.00 64.05 62.27 1j5i n THR 89 Cb 0.30 0.77 -0.01 0.00 -1.82 0.00 0.00 70.33 69.57 1j5i n THR 89 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1j5i h THR 90 N 0.00 0.00 -3.12 12.58 2.02 -1.97 -3.43 112.91 118.98 1j5i h THR 90 Ca 0.00 -1.00 -0.66 0.00 0.77 0.00 0.00 66.41 65.53 1j5i h THR 90 Cb 0.46 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.71 1j5i h THR 90 CO 0.00 0.00 0.28 0.00 0.37 0.00 0.00 175.52 176.17 1j5i s ALA 91 N -2.71 3.28 -0.19 6.16 0.00 -1.26 -4.98 121.76 122.06 1j5i s ALA 91 Ca -0.13 -1.65 -0.42 0.00 0.00 0.00 0.00 51.96 49.76 1j5i s ALA 91 Cb 0.02 -3.55 -0.20 0.00 0.00 0.00 0.00 23.12 19.39 1j5i s ALA 91 CO 0.19 -2.26 1.26 0.00 0.00 0.00 0.00 175.76 174.95 1j5i n ALA 92 N 6.79 -2.74 -2.69 0.00 0.00 -1.26 -4.83 120.51 115.77 1j5i n ALA 92 Ca -0.04 0.55 -0.39 0.00 0.00 0.00 0.00 53.44 53.56 1j5i n ALA 92 Cb 0.46 -1.80 -0.06 0.00 0.00 0.00 0.00 19.45 18.05 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 1.25 3.31 -0.49 0.00 -0.21 -0.11 -1.68 119.66 121.72 1j5i s GLN 94 Ca 0.29 -0.37 -0.23 0.00 0.02 0.00 0.00 55.36 55.07 1j5i s GLN 94 Cb -0.16 -3.93 0.03 0.00 1.00 0.00 0.00 33.01 29.95 1j5i s GLN 94 CO 0.12 -0.95 0.81 0.08 -2.12 0.00 0.00 175.29 173.22 1j5i s VAL 95 N 2.72 4.60 0.19 1.09 1.01 0.96 -0.45 120.40 130.52 1j5i s VAL 95 Ca 0.21 0.25 -0.22 0.00 0.00 0.00 0.00 61.98 62.23 1j5i s VAL 95 Cb -0.14 -4.38 0.07 0.00 0.00 0.00 0.00 36.38 31.93 1j5i s VAL 95 CO 0.18 -0.85 1.02 -0.83 0.00 0.00 0.00 175.10 174.62 1j5i s GLY 96 N 2.42 0.10 -0.18 4.51 0.00 -0.70 0.11 107.32 113.58 1j5i s GLY 96 Ca 0.28 -0.32 -0.05 0.00 0.00 0.00 0.00 44.72 44.63 1j5i s GLY 96 CO 0.20 2.14 0.00 0.48 0.00 0.00 0.00 173.10 175.93 1j5i s LEU 97 N -3.36 3.42 0.53 0.66 0.05 -1.25 -0.29 118.68 118.44 1j5i s LEU 97 Ca 0.21 -0.09 0.01 0.00 0.05 0.00 0.00 54.13 54.31 1j5i s LEU 97 Cb -0.03 -1.85 0.03 0.00 -2.05 0.00 0.00 46.19 42.29 1j5i s LEU 97 CO 0.05 0.13 0.76 -0.55 -0.55 0.00 0.00 176.35 176.19 1j5i s SER 98 N 0.58 5.38 0.49 1.48 0.15 0.98 -4.45 113.70 118.31 1j5i s SER 98 Ca -0.00 0.05 -0.08 0.00 0.70 0.00 0.00 55.95 56.61 1j5i s SER 98 Cb -0.14 -1.00 -0.05 0.00 -1.71 0.00 0.00 66.02 63.12 1j5i s SER 98 CO 0.02 -1.06 0.84 -1.81 1.20 0.00 0.00 173.24 172.43 1j5i s ASP 99 N -4.39 6.35 0.00 5.45 1.11 -1.26 -1.15 116.67 122.79 1j5i s ASP 99 Ca 0.56 1.11 0.12 0.00 0.18 0.00 0.00 52.55 54.51 1j5i s ASP 99 Cb -0.10 -2.32 0.36 0.00 1.07 0.00 0.00 42.92 41.92 1j5i s ASP 99 CO 0.38 -0.58 1.28 0.00 1.18 0.00 0.00 175.17 177.44 1j5i n ALA 100 N -2.02 2.46 -0.10 5.23 0.00 -1.26 -3.86 120.51 120.95 1j5i n ALA 100 Ca 0.02 -0.56 -0.22 0.00 0.00 0.00 0.00 53.44 52.68 1j5i n ALA 100 Cb 0.54 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 18.93 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 1.67 0.00 0.00 0.00 -1.26 -5.06 120.51 116.29 1j5i n ALA 101 Ca 0.12 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1j5i n ALA 101 Cb 0.28 0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 0.83 3.61 0.00 0.00 -1.25 -5.15 105.19 104.97 1j5i n GLY 102 Ca -0.40 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 1j5i n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j5i s ASN 103 N 0.00 4.63 -0.59 1.61 0.01 -1.26 -4.97 114.94 114.36 1j5i s ASN 103 Ca 0.00 -0.21 -0.10 0.00 -0.71 0.00 0.00 52.86 51.84 1j5i s ASN 103 Cb 0.00 -1.03 -0.18 0.00 0.41 0.00 0.00 41.25 40.45 1j5i s ASN 103 CO 0.00 0.24 1.39 0.61 -1.51 0.00 0.00 177.10 177.83 1j5i n GLY 104 N 1.18 -0.30 3.70 0.66 0.00 -1.26 -4.49 105.19 104.68 1j5i n GLY 104 Ca -0.14 0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 4.57 4.39 0.13 1.61 0.04 -1.26 -4.99 135.00 139.50 1j5i s PRO 105 Ca 0.79 1.71 -0.14 0.00 0.04 0.00 0.00 61.00 63.40 1j5i s PRO 105 Cb -0.59 -3.47 -0.07 0.00 0.04 0.00 0.00 34.50 30.42 1j5i s PRO 105 CO 0.32 -0.35 0.53 -2.00 0.04 0.00 0.00 177.00 175.54 1j5i s GLU 106 N 1.69 3.97 0.21 4.56 2.56 -1.26 -4.99 118.70 125.43 1j5i s GLU 106 Ca 0.57 0.47 -0.05 0.00 0.00 0.00 0.00 54.97 55.96 1j5i s GLU 106 Cb -0.27 -2.96 -0.03 0.00 2.00 0.00 0.00 34.13 32.88 1j5i s GLU 106 CO 0.25 0.50 0.24 0.20 -0.56 0.00 0.00 175.26 175.89 1j5i s GLY 107 N -1.68 1.14 -0.03 -1.50 0.00 -1.26 -3.82 107.32 100.17 1j5i s GLY 107 Ca 0.37 -1.43 -0.05 0.00 0.00 0.00 0.00 44.72 43.60 1j5i s GLY 107 CO 0.19 -1.15 0.20 0.54 0.00 0.00 0.00 173.10 172.88 1j5i s VAL 108 N -4.11 5.41 -0.68 1.40 0.11 0.12 -4.72 120.40 117.92 1j5i s VAL 108 Ca 0.33 0.05 -0.27 0.00 -2.93 0.00 0.00 61.98 59.17 1j5i s VAL 108 Cb 0.05 -3.51 -0.00 0.00 -1.53 0.00 0.00 36.38 31.38 1j5i s VAL 108 CO 0.11 0.42 1.63 0.00 -3.33 0.00 0.00 175.10 173.93 1j5i s ALA 109 N -1.23 2.39 0.26 1.54 0.00 -1.26 -0.03 121.76 123.42 1j5i s ALA 109 Ca 0.24 -1.01 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 1j5i s ALA 109 Cb -0.13 -4.30 -0.10 0.00 0.00 0.00 0.00 23.12 18.59 1j5i s ALA 109 CO 0.14 -3.69 1.38 -1.50 0.00 0.00 0.00 175.76 172.08 1j5i s ILE 110 N 7.72 2.80 -0.83 0.00 2.07 -0.68 -4.85 121.20 127.43 1j5i s ILE 110 Ca 0.54 0.69 -0.06 0.00 -1.41 0.00 0.00 60.65 60.42 1j5i s ILE 110 Cb -0.10 -3.44 -0.09 0.00 0.13 0.00 0.00 42.46 38.95 1j5i s ILE 110 CO 0.17 0.12 2.40 -0.24 -1.91 0.00 0.00 174.94 175.48 1j5i n SER 111 N 2.03 5.33 -4.31 4.50 2.88 0.29 -4.59 113.62 119.75 1j5i n SER 111 Ca 0.05 -2.33 -0.34 0.00 -1.33 0.00 0.00 58.87 54.93 1j5i n SER 111 Cb 0.41 -1.15 0.11 0.00 -0.75 0.00 0.00 64.21 62.83 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 3.70 -2.05 0.83 0.66 1.16 -1.24 0.69 117.46 121.22 1j5i n PHE 112 Ca 0.47 0.19 0.07 0.00 -1.87 0.00 0.00 57.45 56.31 1j5i n PHE 112 Cb 0.27 -1.67 0.40 0.00 -1.61 0.00 0.00 39.48 36.86 1j5i n PHE 112 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18