#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 -2.32 1.51 0.00 0.00 -1.26 -4.92 120.51 113.51 1j5i n ALA 2 Ca 0.00 -0.89 0.09 0.00 0.00 0.00 0.00 53.44 52.64 1j5i n ALA 2 Cb 0.00 -2.07 0.51 0.00 0.00 0.00 0.00 19.45 17.89 1j5i n ALA 2 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1j5i n PRO 3 N 1.96 0.75 0.00 0.00 -0.04 -1.26 -4.88 135.00 131.53 1j5i n PRO 3 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1j5i n PRO 3 Cb 0.64 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 1j5i n PRO 3 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1j5i n THR 4 N -0.86 0.00 -2.43 0.52 -2.24 -0.71 -4.49 114.28 104.07 1j5i n THR 4 Ca 0.13 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.48 1j5i n THR 4 Cb 0.06 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.27 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 -1.79 3.13 -0.00 6.98 0.00 -1.22 -2.62 121.76 126.24 1j5i s ALA 5 Ca 0.00 -0.20 -0.14 0.00 0.00 0.00 0.00 51.96 51.62 1j5i s ALA 5 Cb 0.00 -3.90 0.02 0.00 0.00 0.00 0.00 23.12 19.24 1j5i s ALA 5 CO 0.00 -2.24 0.30 0.95 0.00 0.00 0.00 175.76 174.77 1j5i s THR 6 N 4.98 0.06 0.09 0.00 -4.23 -0.23 -4.48 115.64 111.83 1j5i s THR 6 Ca 0.57 -0.52 -0.30 0.00 -1.18 0.00 0.00 61.69 60.25 1j5i s THR 6 Cb -0.12 -0.66 -0.06 0.00 1.34 0.00 0.00 72.50 73.00 1j5i s THR 6 CO 0.30 -0.29 1.19 -0.69 -0.54 0.00 0.00 174.62 174.60 1j5i s VAL 7 N -1.52 3.97 0.18 2.29 1.01 -1.26 -1.48 120.40 123.58 1j5i s VAL 7 Ca -0.12 1.47 -0.16 0.00 0.00 0.00 0.00 61.98 63.16 1j5i s VAL 7 Cb -0.05 -3.94 0.15 0.00 0.00 0.00 0.00 36.38 32.54 1j5i s VAL 7 CO 0.03 0.14 1.26 0.41 0.00 0.00 0.00 175.10 176.94 1j5i n THR 8 N 3.59 -0.45 0.00 3.92 -1.04 -0.46 -4.40 114.28 115.43 1j5i n THR 8 Ca 0.08 1.91 0.00 0.00 -2.04 0.00 0.00 64.05 64.00 1j5i n THR 8 Cb 0.46 -2.50 0.00 0.00 -1.82 0.00 0.00 70.33 66.47 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 -5.16 1.07 0.00 -2.82 -0.04 -1.26 -5.06 135.00 121.72 1j5i n PRO 9 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 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 0.00 0.00 -4.49 3.54 7.64 -1.26 -4.97 113.62 114.08 1j5i n SER 10 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1j5i n SER 10 Cb 0.00 0.04 -0.01 0.00 -1.01 0.00 0.00 64.21 63.24 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 -2.00 4.62 0.05 6.43 7.64 -1.26 -1.66 113.62 127.45 1j5i n SER 11 Ca 0.00 -2.89 0.03 0.00 1.01 0.00 0.00 58.87 57.03 1j5i n SER 11 Cb 0.00 -1.73 0.18 0.00 -1.01 0.00 0.00 64.21 61.65 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 5.31 -0.58 2.68 0.23 0.00 -1.11 -3.77 105.19 107.95 1j5i n GLY 12 Ca 0.49 0.06 -0.17 0.00 0.00 0.00 0.00 46.02 46.40 1j5i n GLY 12 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1j5i n LEU 13 N -1.72 3.89 -3.74 0.99 -0.00 0.26 -4.33 117.00 112.35 1j5i n LEU 13 Ca -0.00 -2.49 -0.22 0.00 -0.00 0.00 0.00 56.01 53.29 1j5i n LEU 13 Cb 0.05 -0.97 -0.18 0.00 -0.00 0.00 0.00 43.42 42.33 1j5i n LEU 13 CO 0.03 0.25 -0.37 -0.55 -0.00 0.00 0.00 177.39 176.74 1j5i s SER 14 N 3.70 1.51 -0.75 1.45 0.15 -1.25 -4.71 113.70 113.82 1j5i s SER 14 Ca 0.31 -0.07 -0.14 0.00 0.70 0.00 0.00 55.95 56.76 1j5i s SER 14 Cb 0.08 -0.37 -0.22 0.00 -1.71 0.00 0.00 66.02 63.81 1j5i s SER 14 CO -0.03 -0.21 1.79 -0.90 1.20 0.00 0.00 173.24 175.09 1j5i n ASP 15 N 5.18 -0.53 -3.73 5.45 3.85 -1.26 -0.49 116.55 125.02 1j5i n ASP 15 Ca -0.06 -0.17 -0.23 0.00 -0.71 0.00 0.00 54.79 53.61 1j5i n ASP 15 Cb 0.50 -0.52 0.00 0.00 -1.35 0.00 0.00 41.12 39.75 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1j5i n GLY 16 N 4.44 -1.28 3.68 6.12 0.00 -1.03 -4.83 105.19 112.30 1j5i n GLY 16 Ca 0.50 0.57 -0.42 0.00 0.00 0.00 0.00 46.02 46.67 1j5i n GLY 16 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j5i s THR 17 N -3.03 4.15 -0.26 2.61 -1.32 0.36 -4.52 115.64 113.62 1j5i s THR 17 Ca 0.04 1.46 -0.16 0.00 -1.21 0.00 0.00 61.69 61.82 1j5i s THR 17 Cb -0.02 -3.94 -0.03 0.00 -1.51 0.00 0.00 72.50 67.00 1j5i s THR 17 CO 0.89 -0.05 0.42 -0.69 -2.21 0.00 0.00 174.62 172.98 1j5i s VAL 18 N 2.76 5.14 0.02 5.08 1.01 -1.26 0.26 120.40 133.40 1j5i s VAL 18 Ca 0.57 0.69 -0.00 0.00 0.00 0.00 0.00 61.98 63.24 1j5i s VAL 18 Cb -0.25 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1j5i s VAL 18 CO 0.20 0.13 0.03 1.33 0.00 0.00 0.00 175.10 176.80 1j5i n VAL 19 N 5.11 0.00 -5.12 2.92 0.24 -0.67 -5.00 118.33 115.81 1j5i n VAL 19 Ca -0.07 -0.10 -0.31 0.00 -2.04 0.00 0.00 64.34 61.82 1j5i n VAL 19 Cb 0.50 0.06 -0.17 0.00 -1.47 0.00 0.00 33.84 32.77 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 -2.05 2.71 -0.47 7.34 1.02 -1.26 -1.72 119.74 125.31 1j5i s LYS 20 Ca 0.02 -0.81 -0.17 0.00 0.02 0.00 0.00 55.97 55.03 1j5i s LYS 20 Cb -0.00 -2.12 0.06 0.00 -0.52 0.00 0.00 37.83 35.25 1j5i s LYS 20 CO 0.01 0.20 0.47 0.08 -0.92 0.00 0.00 175.35 175.19 1j5i s VAL 21 N 0.27 5.10 0.03 3.17 1.01 0.24 -1.35 120.40 128.86 1j5i s VAL 21 Ca -0.15 -0.74 -0.22 0.00 0.00 0.00 0.00 61.98 60.87 1j5i s VAL 21 Cb -0.17 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.00 1j5i s VAL 21 CO 0.07 -0.61 0.66 0.00 0.00 0.00 0.00 175.10 175.22 1j5i s ALA 22 N 2.04 3.46 -0.76 5.51 0.00 -0.55 -1.30 121.76 130.16 1j5i s ALA 22 Ca 0.09 0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.21 1j5i s ALA 22 Cb -0.21 -2.83 0.24 0.00 0.00 0.00 0.00 23.12 20.33 1j5i s ALA 22 CO 0.10 0.16 0.83 0.41 0.00 0.00 0.00 175.76 177.26 1j5i n GLY 23 N 2.32 4.65 3.67 0.00 0.00 0.14 -1.07 105.19 114.90 1j5i n GLY 23 Ca -0.06 -2.70 -0.43 0.00 0.00 0.00 0.00 46.02 42.83 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 -2.21 3.57 0.00 4.61 0.00 -1.08 -0.97 121.76 125.69 1j5i s ALA 24 Ca 0.34 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1j5i s ALA 24 Cb 0.07 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1j5i s ALA 24 CO -0.04 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.23 1j5i n GLY 25 N 3.34 0.39 0.00 0.00 0.00 0.53 -1.75 105.19 107.70 1j5i n GLY 25 Ca 0.11 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -4.53 0.99 -0.00 -0.73 -4.88 117.00 107.84 1j5i n LEU 26 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.58 1j5i n LEU 26 Cb 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.59 1j5i n LEU 26 CO 0.00 0.00 1.72 -1.10 -0.00 0.00 0.00 177.39 178.01 1j5i s GLN 27 N 1.08 3.99 0.20 1.96 -0.21 -1.26 -4.86 119.66 120.56 1j5i s GLN 27 Ca 0.00 -2.15 -0.32 0.00 0.02 0.00 0.00 55.36 52.92 1j5i s GLN 27 Cb 0.00 -5.34 -0.11 0.00 1.00 0.00 0.00 33.01 28.55 1j5i s GLN 27 CO 0.00 -2.07 1.69 0.00 -2.12 0.00 0.00 175.29 172.79 1j5i s ALA 28 N 3.30 3.90 0.00 6.09 0.00 -1.26 -0.93 121.76 132.86 1j5i s ALA 28 Ca 0.49 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.99 1j5i s ALA 28 Cb 0.01 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1j5i s ALA 28 CO 0.04 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.31 1j5i n GLY 29 N 3.90 3.06 1.60 0.00 0.00 -1.20 -4.95 105.19 107.58 1j5i n GLY 29 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.42 0.00 -3.52 2.61 -1.04 -0.11 -4.90 114.28 105.90 1j5i n THR 30 Ca 0.00 -0.61 -0.18 0.00 -2.04 0.00 0.00 64.05 61.22 1j5i n THR 30 Cb 0.00 -1.27 -0.06 0.00 -1.82 0.00 0.00 70.33 67.18 1j5i n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j5i s ALA 31 N -3.09 -1.77 0.30 2.41 0.00 -1.26 -2.00 121.76 116.35 1j5i s ALA 31 Ca 0.28 1.31 -0.07 0.00 0.00 0.00 0.00 51.96 53.47 1j5i s ALA 31 Cb -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.11 1j5i s ALA 31 CO 0.19 -0.38 0.48 1.52 0.00 0.00 0.00 175.76 177.57 1j5i s TYR 32 N -1.26 0.73 -0.27 0.00 -0.85 0.23 -4.63 117.35 111.30 1j5i s TYR 32 Ca -0.10 -1.04 -0.16 0.00 -0.52 0.00 0.00 57.07 55.25 1j5i s TYR 32 Cb -0.00 0.06 -0.03 0.00 0.38 0.00 0.00 41.96 42.37 1j5i s TYR 32 CO 0.09 -1.08 0.41 -0.51 -1.52 0.00 0.00 175.55 172.94 1j5i s ASP 33 N -3.14 6.30 0.15 -0.18 1.11 0.34 -0.45 116.67 120.81 1j5i s ASP 33 Ca 0.27 0.33 -0.30 0.00 0.18 0.00 0.00 52.55 53.03 1j5i s ASP 33 Cb -0.00 -2.23 -0.07 0.00 1.07 0.00 0.00 42.92 41.69 1j5i s ASP 33 CO 0.15 -0.22 1.16 -0.69 1.18 0.00 0.00 175.17 176.74 1j5i s VAL 34 N 2.14 3.81 -0.29 -1.27 1.01 0.26 0.22 120.40 126.27 1j5i s VAL 34 Ca 0.16 1.48 -0.28 0.00 0.00 0.00 0.00 61.98 63.34 1j5i s VAL 34 Cb -0.16 -3.94 0.20 0.00 0.00 0.00 0.00 36.38 32.47 1j5i s VAL 34 CO 0.10 0.22 1.40 -0.83 0.00 0.00 0.00 175.10 175.99 1j5i s GLY 35 N 0.25 0.17 -0.46 4.51 0.00 0.81 -0.64 107.32 111.97 1j5i s GLY 35 Ca 0.53 3.04 -0.20 0.00 0.00 0.00 0.00 44.72 48.09 1j5i s GLY 35 CO 0.34 1.29 0.61 -0.86 0.00 0.00 0.00 173.10 174.49 1j5i s GLN 36 N -0.79 3.20 0.16 2.90 -2.07 -1.26 -1.48 119.66 120.33 1j5i s GLN 36 Ca 0.09 -0.59 0.05 0.00 -1.82 0.00 0.00 55.36 53.10 1j5i s GLN 36 Cb -0.02 -4.00 -0.04 0.00 -1.09 0.00 0.00 33.01 27.86 1j5i s GLN 36 CO -0.10 -1.06 0.11 0.00 -1.32 0.00 0.00 175.29 172.92 1j5i n ALA 38 N -0.26 0.00 -1.94 0.00 0.00 0.12 -1.66 120.51 116.77 1j5i n ALA 38 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.94 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 1.65 -0.13 0.00 1.48 -1.26 0.10 118.94 118.79 1j5i s TRP 39 Ca 0.00 0.75 -0.11 0.00 -1.06 0.00 0.00 56.10 55.68 1j5i s TRP 39 Cb 0.00 -4.05 -0.25 0.00 -1.16 0.00 0.00 33.47 28.00 1j5i s TRP 39 CO 0.00 -2.84 0.40 -0.24 -4.06 0.00 0.00 176.95 170.21 1j5i h VAL 40 N 6.94 0.76 -0.53 -0.66 3.04 -1.41 -3.44 116.25 120.96 1j5i h VAL 40 Ca -0.31 -2.34 0.00 0.00 -1.01 0.00 0.00 66.70 63.04 1j5i h VAL 40 Cb 1.18 2.51 0.00 0.00 -2.01 0.00 0.00 31.29 32.97 1j5i h VAL 40 CO 1.08 0.76 0.00 -0.67 -1.01 0.00 0.00 177.57 177.74 1j5i n ASP 41 N -3.73 0.00 -2.65 3.17 4.64 -1.19 -4.77 116.55 112.02 1j5i n ASP 41 Ca -0.30 0.00 -0.25 0.00 -1.38 0.00 0.00 54.79 52.85 1j5i n ASP 41 Cb 0.96 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 40.94 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 0.00 3.68 0.00 5.18 5.66 -1.26 -4.05 114.28 123.49 1j5i n THR 42 Ca 0.00 -2.13 0.00 0.00 -3.05 0.00 0.00 64.05 58.87 1j5i n THR 42 Cb 0.00 -2.26 0.00 0.00 -1.55 0.00 0.00 70.33 66.52 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 2.88 0.61 3.63 1.09 0.00 -1.26 -5.06 105.19 107.08 1j5i n GLY 43 Ca 0.60 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.19 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 4.42 -0.55 1.61 1.01 -1.26 -4.85 120.40 118.79 1j5i s VAL 44 Ca 0.00 1.61 -0.26 0.00 0.00 0.00 0.00 61.98 63.33 1j5i s VAL 44 Cb 0.00 -4.42 -0.06 0.00 0.00 0.00 0.00 36.38 31.90 1j5i s VAL 44 CO 0.00 -0.57 2.24 -0.22 0.00 0.00 0.00 175.10 176.55 1j5i s LEU 45 N 3.85 3.35 0.02 3.92 1.98 -1.26 -1.28 118.68 129.25 1j5i s LEU 45 Ca 0.47 0.79 0.03 0.00 -2.89 0.00 0.00 54.13 52.53 1j5i s LEU 45 Cb -0.12 -2.51 -0.04 0.00 0.66 0.00 0.00 46.19 44.19 1j5i s LEU 45 CO 0.19 -2.78 -0.04 0.00 -1.89 0.00 0.00 176.35 171.84 1j5i s ALA 46 N 11.37 3.14 0.23 5.97 0.00 0.11 -2.04 121.76 140.55 1j5i s ALA 46 Ca 0.88 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 51.88 1j5i s ALA 46 Cb -0.15 -1.21 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 1j5i s ALA 46 CO 0.23 0.64 0.24 0.00 0.00 0.00 0.00 175.76 176.87 1j5i s ASN 48 N -3.76 6.22 0.34 0.00 0.02 -1.08 -0.49 114.94 116.19 1j5i s ASN 48 Ca 0.33 1.08 0.26 0.00 -1.02 0.00 0.00 52.86 53.52 1j5i s ASN 48 Cb -0.09 -2.30 0.89 0.00 0.02 0.00 0.00 41.25 39.78 1j5i s ASN 48 CO 0.26 -0.70 1.77 1.55 0.02 0.00 0.00 177.10 180.00 1j5i h PRO 49 N 0.02 0.00 -0.45 -0.60 0.13 -1.93 -2.60 132.00 126.57 1j5i h PRO 49 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1j5i h PRO 49 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1j5i h PRO 49 CO 0.62 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.39 1j5i n ALA 50 N -1.90 3.17 0.87 -0.56 0.00 -1.26 -4.33 120.51 116.49 1j5i n ALA 50 Ca 0.03 -1.91 0.04 0.00 0.00 0.00 0.00 53.44 51.60 1j5i n ALA 50 Cb 0.36 -0.86 0.13 0.00 0.00 0.00 0.00 19.45 19.08 1j5i n ALA 50 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1j5i n ASP 51 N 0.30 1.87 -4.21 0.00 5.75 -0.98 -4.62 116.55 114.66 1j5i n ASP 51 Ca 0.23 -2.11 -0.42 0.00 -0.01 0.00 0.00 54.79 52.49 1j5i n ASP 51 Cb 0.93 -0.30 -0.06 0.00 -1.03 0.00 0.00 41.12 40.65 1j5i n ASP 51 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1j5i s PHE 52 N -1.64 3.55 -0.43 2.11 0.08 -1.14 -2.77 117.98 117.74 1j5i s PHE 52 Ca 0.19 -2.27 0.05 0.00 0.12 0.00 0.00 56.93 55.02 1j5i s PHE 52 Cb 0.11 -3.51 0.17 0.00 -0.57 0.00 0.00 43.02 39.23 1j5i s PHE 52 CO 0.10 -0.93 0.42 0.45 -0.10 0.00 0.00 175.22 175.17 1j5i n SER 53 N 3.93 -1.11 -4.53 1.36 2.88 0.19 -4.93 113.62 111.41 1j5i n SER 53 Ca 0.07 -2.48 -0.49 0.00 -1.33 0.00 0.00 58.87 54.65 1j5i n SER 53 Cb 0.42 -0.08 -0.04 0.00 -0.75 0.00 0.00 64.21 63.77 1j5i n SER 53 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1j5i n SER 54 N 2.86 0.62 -3.81 -3.46 3.41 -1.26 -0.57 113.62 111.41 1j5i n SER 54 Ca 0.28 1.15 -0.08 0.00 -0.26 0.00 0.00 58.87 59.96 1j5i n SER 54 Cb 0.50 -1.14 -0.02 0.00 -0.26 0.00 0.00 64.21 63.28 1j5i n SER 54 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1j5i s VAL 55 N -0.55 0.00 0.20 -3.33 -7.23 0.41 -4.79 120.40 105.12 1j5i s VAL 55 Ca 0.70 -0.89 -0.01 0.00 -1.81 0.00 0.00 61.98 59.97 1j5i s VAL 55 Cb -0.88 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 1j5i s VAL 55 CO 0.55 -0.00 0.11 0.28 -0.31 0.00 0.00 175.10 175.73 1j5i s THR 56 N -3.90 0.11 -0.10 5.32 -1.32 -1.26 -0.60 115.64 113.89 1j5i s THR 56 Ca 0.10 -1.99 -0.03 0.00 -1.21 0.00 0.00 61.69 58.57 1j5i s THR 56 Cb -0.05 -2.45 -0.03 0.00 -1.51 0.00 0.00 72.50 68.45 1j5i s THR 56 CO 0.05 -0.07 0.01 0.00 -2.21 0.00 0.00 174.62 172.39 1j5i s ALA 57 N -4.07 3.30 0.60 11.08 0.00 -0.85 -4.16 121.76 127.66 1j5i s ALA 57 Ca 0.37 -0.80 -0.16 0.00 0.00 0.00 0.00 51.96 51.37 1j5i s ALA 57 Cb 0.07 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 1j5i s ALA 57 CO 0.11 0.53 1.06 -0.51 0.00 0.00 0.00 175.76 176.95 1j5i s ASP 58 N -0.70 5.72 0.59 0.00 -0.00 0.14 -3.27 116.67 119.14 1j5i s ASP 58 Ca 0.11 1.84 0.36 0.00 -0.00 0.00 0.00 52.55 54.86 1j5i s ASP 58 Cb -0.12 -2.54 1.30 0.00 -0.00 0.00 0.00 42.92 41.57 1j5i s ASP 58 CO 0.02 -1.21 1.49 0.00 -0.00 0.00 0.00 175.17 175.47 1j5i h ALA 59 N 0.40 3.22 -0.37 5.23 0.00 -1.95 2.98 119.26 128.78 1j5i h ALA 59 Ca -0.47 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.20 1j5i h ALA 59 Cb 1.22 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 19.00 1j5i h ALA 59 CO 0.57 -1.87 0.25 -1.71 0.00 0.00 0.00 179.25 176.49 1j5i n ASN 60 N -3.59 3.70 -4.46 0.00 5.15 -1.26 -4.80 115.26 109.99 1j5i n ASN 60 Ca 0.29 -2.64 -0.40 0.00 -0.60 0.00 0.00 54.58 51.24 1j5i n ASN 60 Cb 1.60 -0.69 -0.07 0.00 -0.53 0.00 0.00 39.78 40.09 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 0.00 -0.37 3.13 8.20 0.00 0.99 -4.37 105.19 112.78 1j5i n GLY 61 Ca 0.22 0.10 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.43 4.20 -0.68 1.61 0.01 -1.06 0.20 113.70 114.55 1j5i s SER 62 Ca 0.70 -1.09 -0.16 0.00 1.31 0.00 0.00 55.95 56.71 1j5i s SER 62 Cb -0.40 -1.59 0.16 0.00 0.21 0.00 0.00 66.02 64.40 1j5i s SER 62 CO 1.01 -0.14 0.67 0.00 0.41 0.00 0.00 173.24 175.19 1j5i s ALA 63 N 1.22 3.75 -1.02 1.44 0.00 -0.14 0.28 121.76 127.28 1j5i s ALA 63 Ca -0.03 -2.78 -0.18 0.00 0.00 0.00 0.00 51.96 48.97 1j5i s ALA 63 Cb -0.18 -3.45 0.13 0.00 0.00 0.00 0.00 23.12 19.62 1j5i s ALA 63 CO -0.06 -2.23 1.26 -1.54 0.00 0.00 0.00 175.76 173.19 1j5i s SER 64 N 3.09 6.73 0.35 0.00 1.04 -1.26 0.24 113.70 123.89 1j5i s SER 64 Ca 0.12 -2.22 0.08 0.00 0.48 0.00 0.00 55.95 54.40 1j5i s SER 64 Cb -0.20 -2.42 -0.03 0.00 0.10 0.00 0.00 66.02 63.46 1j5i s SER 64 CO -0.02 -1.04 0.28 0.42 0.98 0.00 0.00 173.24 173.87 1j5i s THR 65 N 2.73 3.30 -0.02 2.02 -4.23 -0.42 -4.95 115.64 114.06 1j5i s THR 65 Ca 0.37 -1.42 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 1j5i s THR 65 Cb -0.03 -3.12 0.01 0.00 1.34 0.00 0.00 72.50 70.70 1j5i s THR 65 CO -0.07 -0.15 -0.03 -0.94 -0.54 0.00 0.00 174.62 172.90 1j5i s SER 66 N -3.99 0.56 0.24 3.99 1.04 -1.26 0.82 113.70 115.10 1j5i s SER 66 Ca 0.42 -0.07 -0.22 0.00 0.48 0.00 0.00 55.95 56.56 1j5i s SER 66 Cb -0.05 -0.21 0.03 0.00 0.10 0.00 0.00 66.02 65.90 1j5i s SER 66 CO 0.26 -0.03 0.71 -0.22 0.98 0.00 0.00 173.24 174.94 1j5i s LEU 67 N 0.54 -0.32 -0.04 2.42 1.98 -0.70 -4.94 118.68 117.61 1j5i s LEU 67 Ca -0.06 -0.46 -0.01 0.00 -2.89 0.00 0.00 54.13 50.71 1j5i s LEU 67 Cb -0.09 2.66 -0.04 0.00 0.66 0.00 0.00 46.19 49.39 1j5i s LEU 67 CO -0.01 -1.24 0.05 0.28 -1.89 0.00 0.00 176.35 173.55 1j5i s THR 68 N -3.84 4.59 -1.01 3.68 -1.32 -1.26 -1.66 115.64 114.81 1j5i s THR 68 Ca 0.09 -0.31 -0.18 0.00 -1.21 0.00 0.00 61.69 60.08 1j5i s THR 68 Cb -0.05 -3.02 0.14 0.00 -1.51 0.00 0.00 72.50 68.06 1j5i s THR 68 CO 0.02 0.47 1.24 -0.69 -2.21 0.00 0.00 174.62 173.45 1j5i s VAL 69 N -1.05 4.76 -0.14 5.08 1.01 0.73 -4.82 120.40 125.96 1j5i s VAL 69 Ca 0.18 -1.82 -0.21 0.00 0.00 0.00 0.00 61.98 60.13 1j5i s VAL 69 Cb -0.12 -4.84 -0.03 0.00 0.00 0.00 0.00 36.38 31.39 1j5i s VAL 69 CO 0.08 -1.57 0.62 0.00 0.00 0.00 0.00 175.10 174.23 1j5i s ARG 70 N 2.54 4.31 -0.14 2.72 1.70 -1.26 -2.05 118.95 126.76 1j5i s ARG 70 Ca 0.36 0.66 0.02 0.00 -0.47 0.00 0.00 55.73 56.30 1j5i s ARG 70 Cb -0.04 -3.51 -0.23 0.00 -0.57 0.00 0.00 34.95 30.60 1j5i s ARG 70 CO -0.07 -0.06 0.27 -2.13 -1.08 0.00 0.00 175.30 172.23 1j5i n ARG 71 N 4.37 0.70 -3.98 3.89 0.00 -1.26 -4.86 116.66 115.53 1j5i n ARG 71 Ca -0.03 0.22 -0.35 0.00 -0.00 0.00 0.00 57.85 57.69 1j5i n ARG 71 Cb 0.51 -1.67 -0.12 0.00 0.00 0.00 0.00 32.46 31.18 1j5i n ARG 71 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1j5i s SER 72 N -6.58 5.21 0.00 6.15 0.01 -1.24 0.13 113.70 117.38 1j5i s SER 72 Ca -0.20 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1j5i s SER 72 Cb 0.07 -1.91 0.00 0.00 0.21 0.00 0.00 66.02 64.40 1j5i s SER 72 CO 0.75 0.08 0.00 0.33 0.41 0.00 0.00 173.24 174.80 1j5i n PHE 73 N 4.19 0.00 -2.84 2.43 7.35 -0.50 -4.93 117.46 123.16 1j5i n PHE 73 Ca -0.17 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.11 1j5i n PHE 73 Cb 0.52 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.31 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 4.36 0.55 -4.13 2.56 -1.25 -0.90 118.70 117.89 1j5i s GLU 74 Ca 0.00 1.13 0.02 0.00 0.00 0.00 0.00 54.97 56.12 1j5i s GLU 74 Cb 0.00 -3.55 0.04 0.00 2.00 0.00 0.00 34.13 32.63 1j5i s GLU 74 CO 0.00 -0.27 0.77 0.20 -0.56 0.00 0.00 175.26 175.40 1j5i s GLY 75 N 1.09 1.83 -0.08 -1.50 0.00 0.14 -3.92 107.32 104.89 1j5i s GLY 75 Ca 0.42 -1.42 0.01 0.00 0.00 0.00 0.00 44.72 43.72 1j5i s GLY 75 CO 0.15 -1.12 -0.09 -0.12 0.00 0.00 0.00 173.10 171.93 1j5i s PHE 76 N -2.75 1.29 0.81 1.90 5.36 0.36 -1.17 117.98 123.79 1j5i s PHE 76 Ca 0.58 -0.52 -0.12 0.00 -0.96 0.00 0.00 56.93 55.90 1j5i s PHE 76 Cb -0.10 -1.03 0.09 0.00 -0.34 0.00 0.00 43.02 41.64 1j5i s PHE 76 CO 0.38 -0.34 1.17 -0.51 -1.46 0.00 0.00 175.22 174.47 1j5i s LEU 77 N 1.10 3.09 0.23 6.12 1.43 0.29 -0.38 118.68 130.56 1j5i s LEU 77 Ca -0.07 2.25 0.10 0.00 -1.03 0.00 0.00 54.13 55.38 1j5i s LEU 77 Cb -0.14 -4.57 0.19 0.00 0.03 0.00 0.00 46.19 41.69 1j5i s LEU 77 CO -0.01 -2.62 1.51 0.15 0.23 0.00 0.00 176.35 175.60 1j5i h PHE 78 N -1.06 0.00 0.20 0.29 3.57 -1.67 -3.27 116.94 115.00 1j5i h PHE 78 Ca -0.45 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.06 1j5i h PHE 78 Cb 1.28 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.98 1j5i h PHE 78 CO 0.49 0.71 -0.35 0.22 -2.23 0.00 0.00 178.31 177.15 1j5i h ASP 79 N 0.00 -1.00 0.00 0.41 -0.00 -1.91 -3.46 116.42 110.45 1j5i h ASP 79 Ca -0.01 0.10 0.00 0.00 -0.00 0.00 0.00 57.03 57.13 1j5i h ASP 79 Cb 1.31 0.37 0.00 0.00 -0.00 0.00 0.00 39.33 41.00 1j5i h ASP 79 CO 0.09 -0.46 0.00 0.61 -0.00 0.00 0.00 179.24 179.49 1j5i n GLY 80 N -1.44 0.30 3.83 -0.78 0.00 -1.23 -5.14 105.19 100.72 1j5i n GLY 80 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 4.56 0.22 2.61 2.01 -1.26 -4.85 115.64 118.92 1j5i s THR 81 Ca 0.00 1.18 -0.19 0.00 0.31 0.00 0.00 61.69 62.99 1j5i s THR 81 Cb 0.00 -3.64 -0.08 0.00 0.01 0.00 0.00 72.50 68.79 1j5i s THR 81 CO 0.00 -0.19 0.71 -0.13 -0.69 0.00 0.00 174.62 174.33 1j5i s ARG 82 N -2.93 4.23 0.00 4.92 0.52 -1.26 -0.55 118.95 123.87 1j5i s ARG 82 Ca 0.56 0.84 0.00 0.00 -0.52 0.00 0.00 55.73 56.60 1j5i s ARG 82 Cb -0.11 -2.87 0.00 0.00 0.52 0.00 0.00 34.95 32.49 1j5i s ARG 82 CO 0.17 0.40 0.00 1.87 0.02 0.00 0.00 175.30 177.75 1j5i n TRP 83 N 0.71 0.00 0.00 -0.53 -0.00 -0.32 -4.75 117.44 112.55 1j5i n TRP 83 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.48 1j5i n TRP 83 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.82 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 0.74 5.00 5.87 0.00 -0.86 -4.72 105.19 114.73 1j5i n GLY 84 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.28 114.28 114.87 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 -1.68 12.58 0.31 -0.08 -4.76 118.33 124.70 1j5i n VAL 86 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 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 -1.81 -1.32 0.00 0.00 176.83 173.70 1j5i s ASP 87 N -4.00 6.22 -0.37 4.52 1.01 -1.26 -1.41 116.67 121.39 1j5i s ASP 87 Ca 0.00 2.45 -0.01 0.00 0.71 0.00 0.00 52.55 55.70 1j5i s ASP 87 Cb 0.00 -2.53 0.24 0.00 1.01 0.00 0.00 42.92 41.65 1j5i s ASP 87 CO 0.00 -1.27 2.04 0.00 0.21 0.00 0.00 175.17 176.16 1j5i n THR 89 N 0.18 1.03 -0.08 0.00 5.66 -1.24 -4.42 114.28 115.41 1j5i n THR 89 Ca 0.35 -0.65 -0.08 0.00 -3.05 0.00 0.00 64.05 60.62 1j5i n THR 89 Cb 0.59 -0.63 -0.04 0.00 -1.55 0.00 0.00 70.33 68.70 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 0.20 -3.22 1.09 2.02 -1.90 -3.47 112.91 107.63 1j5i h THR 90 Ca -0.12 -1.25 -0.58 0.00 0.77 0.00 0.00 66.41 65.24 1j5i h THR 90 Cb 1.41 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 68.24 1j5i h THR 90 CO 0.03 0.07 -0.08 0.00 0.37 0.00 0.00 175.52 175.91 1j5i s ALA 91 N -2.65 3.57 -0.07 6.16 0.00 -1.26 -5.04 121.76 122.47 1j5i s ALA 91 Ca -0.17 -0.05 -0.28 0.00 0.00 0.00 0.00 51.96 51.47 1j5i s ALA 91 Cb 0.03 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.51 1j5i s ALA 91 CO 0.29 0.30 0.91 0.00 0.00 0.00 0.00 175.76 177.26 1j5i s ALA 92 N -0.64 3.31 -0.23 0.00 0.00 -1.26 -4.72 121.76 118.22 1j5i s ALA 92 Ca 0.28 0.34 -0.18 0.00 0.00 0.00 0.00 51.96 52.39 1j5i s ALA 92 Cb -0.18 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1j5i s ALA 92 CO 0.16 -0.36 0.53 0.00 0.00 0.00 0.00 175.76 176.09 1j5i s GLN 94 N 2.00 3.57 -0.31 0.00 -0.21 -0.67 -1.67 119.66 122.37 1j5i s GLN 94 Ca 0.23 -0.56 -0.24 0.00 0.02 0.00 0.00 55.36 54.81 1j5i s GLN 94 Cb -0.15 -3.58 0.00 0.00 1.00 0.00 0.00 33.01 30.28 1j5i s GLN 94 CO 0.09 -0.32 0.81 0.08 -2.12 0.00 0.00 175.29 173.83 1j5i s VAL 95 N 1.67 4.77 0.24 1.09 1.01 0.19 0.03 120.40 129.39 1j5i s VAL 95 Ca 0.06 1.18 -0.18 0.00 0.00 0.00 0.00 61.98 63.04 1j5i s VAL 95 Cb -0.16 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.06 1j5i s VAL 95 CO 0.08 -0.28 0.59 -0.83 0.00 0.00 0.00 175.10 174.65 1j5i s GLY 96 N 1.65 0.06 -0.19 4.51 0.00 -0.55 -0.14 107.32 112.66 1j5i s GLY 96 Ca 0.33 -0.41 -0.06 0.00 0.00 0.00 0.00 44.72 44.58 1j5i s GLY 96 CO 0.13 -0.28 0.04 0.48 0.00 0.00 0.00 173.10 173.47 1j5i s LEU 97 N -2.93 3.54 0.07 0.66 -0.00 -1.26 -0.13 118.68 118.63 1j5i s LEU 97 Ca 0.13 -0.06 -0.08 0.00 -0.00 0.00 0.00 54.13 54.12 1j5i s LEU 97 Cb -0.03 -1.90 -0.05 0.00 -0.00 0.00 0.00 46.19 44.21 1j5i s LEU 97 CO 0.04 0.11 0.35 -0.55 -0.00 0.00 0.00 176.35 176.30 1j5i s SER 98 N 0.73 6.56 0.29 1.48 0.15 0.13 -4.59 113.70 118.46 1j5i s SER 98 Ca 0.02 0.66 0.02 0.00 0.70 0.00 0.00 55.95 57.36 1j5i s SER 98 Cb -0.14 -2.13 -0.03 0.00 -1.71 0.00 0.00 66.02 62.01 1j5i s SER 98 CO 0.02 0.18 0.46 -1.81 1.20 0.00 0.00 173.24 173.29 1j5i s ASP 99 N -1.88 6.31 0.00 5.45 1.11 -1.26 0.13 116.67 126.53 1j5i s ASP 99 Ca 0.33 0.29 0.25 0.00 0.18 0.00 0.00 52.55 53.60 1j5i s ASP 99 Cb -0.13 -1.96 1.37 0.00 1.07 0.00 0.00 42.92 43.26 1j5i s ASP 99 CO 0.19 -0.19 1.86 0.00 1.18 0.00 0.00 175.17 178.21 1j5i n ALA 100 N -1.55 2.34 0.18 5.23 0.00 -1.26 -2.13 120.51 123.32 1j5i n ALA 100 Ca -0.06 -0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.36 1j5i n ALA 100 Cb 0.56 -1.41 0.04 0.00 0.00 0.00 0.00 19.45 18.64 1j5i n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j5i h ALA 101 N 3.35 0.56 -2.15 0.00 0.00 -1.95 -3.48 119.26 115.58 1j5i h ALA 101 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1j5i h ALA 101 Cb 0.15 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.97 1j5i h ALA 101 CO 0.00 0.00 -0.14 0.41 0.00 0.00 0.00 179.25 179.52 1j5i n GLY 102 N 1.20 0.57 3.81 0.00 0.00 -0.90 -5.03 105.19 104.83 1j5i n GLY 102 Ca 0.01 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.11 6.66 -0.84 1.61 0.01 -1.26 -4.93 114.94 113.08 1j5i s ASN 103 Ca 0.09 0.79 -0.22 0.00 -0.71 0.00 0.00 52.86 52.81 1j5i s ASN 103 Cb -0.04 -2.21 -0.21 0.00 0.41 0.00 0.00 41.25 39.20 1j5i s ASN 103 CO 0.15 0.26 2.16 0.61 -1.51 0.00 0.00 177.10 178.77 1j5i n GLY 104 N 2.29 -0.41 3.75 0.66 0.00 -1.26 -4.62 105.19 105.60 1j5i n GLY 104 Ca -0.14 0.75 -0.40 0.00 0.00 0.00 0.00 46.02 46.23 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 7.18 4.65 -0.49 1.61 0.04 -1.26 -5.00 135.00 141.73 1j5i s PRO 105 Ca 1.14 1.76 -0.21 0.00 0.04 0.00 0.00 61.00 63.73 1j5i s PRO 105 Cb -0.98 -3.21 0.04 0.00 0.04 0.00 0.00 34.50 30.39 1j5i s PRO 105 CO 0.43 0.22 0.73 -1.21 0.04 0.00 0.00 177.00 177.20 1j5i s GLU 106 N -1.25 3.26 0.14 4.56 0.41 -1.26 -5.01 118.70 119.55 1j5i s GLU 106 Ca 0.45 -0.48 0.01 0.00 -0.41 0.00 0.00 54.97 54.54 1j5i s GLU 106 Cb -0.31 -4.02 -0.04 0.00 -1.78 0.00 0.00 34.13 27.98 1j5i s GLU 106 CO 0.39 -1.21 0.28 0.20 -0.49 0.00 0.00 175.26 174.44 1j5i s GLY 107 N 2.45 1.83 -0.32 -1.39 0.00 -1.26 -4.40 107.32 104.24 1j5i s GLY 107 Ca 0.23 -0.95 -0.09 0.00 0.00 0.00 0.00 44.72 43.90 1j5i s GLY 107 CO 0.17 -0.94 0.14 0.54 0.00 0.00 0.00 173.10 173.01 1j5i s VAL 108 N -1.71 4.43 -0.74 1.40 0.11 0.80 -4.73 120.40 119.96 1j5i s VAL 108 Ca 0.35 -0.56 -0.26 0.00 -2.93 0.00 0.00 61.98 58.58 1j5i s VAL 108 Cb -0.11 -3.30 -0.07 0.00 -1.53 0.00 0.00 36.38 31.37 1j5i s VAL 108 CO 0.28 0.02 2.11 0.00 -3.33 0.00 0.00 175.10 174.18 1j5i s ALA 109 N 1.57 1.54 0.42 1.54 0.00 -1.26 -0.64 121.76 124.93 1j5i s ALA 109 Ca 0.04 -0.90 -0.24 0.00 0.00 0.00 0.00 51.96 50.86 1j5i s ALA 109 Cb -0.17 -4.47 -0.08 0.00 0.00 0.00 0.00 23.12 18.39 1j5i s ALA 109 CO 0.05 -4.81 1.15 -1.50 0.00 0.00 0.00 175.76 170.65 1j5i s ILE 110 N 11.32 3.21 -0.56 0.00 1.10 -0.67 -4.85 121.20 130.75 1j5i s ILE 110 Ca 0.79 0.98 -0.04 0.00 -0.51 0.00 0.00 60.65 61.86 1j5i s ILE 110 Cb -0.11 -3.53 -0.08 0.00 0.15 0.00 0.00 42.46 38.90 1j5i s ILE 110 CO 0.11 0.05 2.03 -0.24 -2.11 0.00 0.00 174.94 174.77 1j5i n SER 111 N -0.11 3.88 -4.03 4.50 2.88 -0.66 -4.53 113.62 115.55 1j5i n SER 111 Ca 0.05 -2.20 -0.37 0.00 -1.33 0.00 0.00 58.87 55.03 1j5i n SER 111 Cb 0.47 -0.94 0.04 0.00 -0.75 0.00 0.00 64.21 63.04 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 3.78 -3.61 1.54 0.66 1.16 -1.26 0.92 117.46 120.66 1j5i n PHE 112 Ca 0.34 0.22 0.14 0.00 -1.87 0.00 0.00 57.45 56.28 1j5i n PHE 112 Cb 0.23 -1.44 0.56 0.00 -1.61 0.00 0.00 39.48 37.23 1j5i n PHE 112 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18