#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 2.89 -0.65 0.00 0.00 -1.26 -4.96 120.51 116.54 1j5i n ALA 2 Ca 0.00 -3.83 -0.07 0.00 0.00 0.00 0.00 53.44 49.54 1j5i n ALA 2 Cb 0.00 -0.86 -0.09 0.00 0.00 0.00 0.00 19.45 18.50 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 0.36 1.30 0.00 0.00 -0.04 -1.26 -4.72 135.00 130.63 1j5i n PRO 3 Ca 0.26 -0.55 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 1j5i n PRO 3 Cb 0.55 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 2.36 0.00 -2.75 0.52 -2.24 -0.62 -4.17 114.28 107.39 1j5i n THR 4 Ca 0.24 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.59 1j5i n THR 4 Cb 0.60 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.28 3.64 -0.03 6.98 0.00 -1.26 0.03 121.76 129.85 1j5i s ALA 5 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.86 1j5i s ALA 5 Cb 0.00 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.67 1j5i s ALA 5 CO 0.00 -1.08 0.26 0.95 0.00 0.00 0.00 175.76 175.89 1j5i s THR 6 N 3.14 0.05 0.06 0.00 -4.23 0.04 -4.37 115.64 110.33 1j5i s THR 6 Ca 0.41 -0.42 -0.04 0.00 -1.18 0.00 0.00 61.69 60.46 1j5i s THR 6 Cb -0.15 -0.52 -0.05 0.00 1.34 0.00 0.00 72.50 73.12 1j5i s THR 6 CO 0.08 -0.23 0.29 0.54 -0.54 0.00 0.00 174.62 174.76 1j5i s VAL 7 N -1.00 5.28 0.18 2.29 0.11 -1.26 -0.24 120.40 125.76 1j5i s VAL 7 Ca -0.11 -0.01 -0.19 0.00 -2.93 0.00 0.00 61.98 58.74 1j5i s VAL 7 Cb -0.05 -3.60 0.11 0.00 -1.53 0.00 0.00 36.38 31.31 1j5i s VAL 7 CO 0.03 0.21 1.33 0.41 -3.33 0.00 0.00 175.10 173.74 1j5i n THR 8 N 0.59 -0.50 -1.36 5.04 -1.04 -0.41 -4.44 114.28 112.15 1j5i n THR 8 Ca -0.07 2.03 -0.24 0.00 -2.04 0.00 0.00 64.05 63.73 1j5i n THR 8 Cb 0.52 -2.62 0.18 0.00 -1.82 0.00 0.00 70.33 66.59 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 -5.19 -1.85 0.00 -2.82 -0.04 -1.26 -5.03 135.00 118.80 1j5i n PRO 9 Ca 0.06 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 61.98 1j5i n PRO 9 Cb 0.30 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1j5i n PRO 9 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j5i n SER 10 N -4.08 0.00 -2.40 3.54 2.88 -1.26 -5.01 113.62 107.28 1j5i n SER 10 Ca 0.13 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.56 1j5i n SER 10 Cb 0.47 0.12 -0.03 0.00 -0.75 0.00 0.00 64.21 64.02 1j5i n SER 10 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1j5i n SER 11 N -1.99 0.56 -4.17 -3.46 7.64 -1.26 -1.84 113.62 109.10 1j5i n SER 11 Ca 0.00 -2.02 -0.33 0.00 1.01 0.00 0.00 58.87 57.53 1j5i n SER 11 Cb 0.00 0.59 -0.08 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.44 -0.23 3.77 0.23 0.00 0.52 -4.64 105.19 105.28 1j5i n GLY 12 Ca -0.00 0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1j5i n GLY 12 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1j5i s LEU 13 N -6.75 2.21 0.03 0.99 0.05 -0.87 -4.99 118.68 109.36 1j5i s LEU 13 Ca 0.38 1.18 0.07 0.00 0.05 0.00 0.00 54.13 55.81 1j5i s LEU 13 Cb -0.22 -3.61 -0.03 0.00 -2.05 0.00 0.00 46.19 40.28 1j5i s LEU 13 CO 0.91 -2.41 -0.19 -0.55 -0.55 0.00 0.00 176.35 173.55 1j5i s SER 14 N -3.84 3.72 -0.43 1.48 0.15 -1.26 -4.93 113.70 108.58 1j5i s SER 14 Ca 0.63 -0.43 -0.29 0.00 0.70 0.00 0.00 55.95 56.56 1j5i s SER 14 Cb -0.15 -0.58 -0.32 0.00 -1.71 0.00 0.00 66.02 63.26 1j5i s SER 14 CO 0.55 0.27 1.77 -0.90 1.20 0.00 0.00 173.24 176.13 1j5i n ASP 15 N 1.68 1.06 0.00 5.45 5.75 -1.26 -0.49 116.55 128.74 1j5i n ASP 15 Ca -0.16 -2.45 0.00 0.00 -0.01 0.00 0.00 54.79 52.16 1j5i n ASP 15 Cb 0.52 -0.98 0.00 0.00 -1.03 0.00 0.00 41.12 39.63 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 5.42 0.98 3.57 6.12 0.00 0.32 -4.72 105.19 116.88 1j5i n GLY 16 Ca 0.43 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.90 4.25 -0.05 2.61 2.01 0.37 -4.53 115.64 118.39 1j5i s THR 17 Ca 0.00 0.83 -0.30 0.00 0.31 0.00 0.00 61.69 62.53 1j5i s THR 17 Cb 0.00 -4.59 -0.02 0.00 0.01 0.00 0.00 72.50 67.90 1j5i s THR 17 CO 0.00 -1.09 1.04 -0.69 -0.69 0.00 0.00 174.62 173.20 1j5i s VAL 18 N 4.34 4.67 0.38 3.82 1.01 -1.26 0.13 120.40 133.49 1j5i s VAL 18 Ca 0.40 1.93 -0.07 0.00 0.00 0.00 0.00 61.98 64.24 1j5i s VAL 18 Cb -0.09 -4.24 0.03 0.00 0.00 0.00 0.00 36.38 32.08 1j5i s VAL 18 CO 0.26 0.06 0.62 0.68 0.00 0.00 0.00 175.10 176.73 1j5i s VAL 19 N 1.66 0.00 -0.12 2.92 -7.23 -0.61 -4.92 120.40 112.10 1j5i s VAL 19 Ca 0.51 -1.34 -0.03 0.00 -1.81 0.00 0.00 61.98 59.32 1j5i s VAL 19 Cb -0.21 -2.81 -0.03 0.00 0.56 0.00 0.00 36.38 33.89 1j5i s VAL 19 CO 0.22 0.00 -0.01 -1.59 -0.31 0.00 0.00 175.10 173.41 1j5i s LYS 20 N -2.57 3.30 -0.41 4.82 -2.85 -1.26 -1.64 119.74 119.12 1j5i s LYS 20 Ca 0.24 -0.46 -0.09 0.00 -1.00 0.00 0.00 55.97 54.67 1j5i s LYS 20 Cb -0.03 -2.85 0.07 0.00 -2.06 0.00 0.00 37.83 32.96 1j5i s LYS 20 CO 0.17 0.50 0.25 0.08 0.10 0.00 0.00 175.35 176.45 1j5i s VAL 21 N -0.32 4.24 -0.05 1.79 1.01 0.17 -1.29 120.40 125.95 1j5i s VAL 21 Ca 0.06 -1.36 -0.20 0.00 0.00 0.00 0.00 61.98 60.48 1j5i s VAL 21 Cb -0.12 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1j5i s VAL 21 CO 0.02 -0.48 0.56 0.00 0.00 0.00 0.00 175.10 175.20 1j5i s ALA 22 N 1.43 3.47 -0.77 5.51 0.00 0.67 -0.21 121.76 131.87 1j5i s ALA 22 Ca 0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.90 1j5i s ALA 22 Cb -0.23 -2.72 0.20 0.00 0.00 0.00 0.00 23.12 20.37 1j5i s ALA 22 CO 0.02 0.09 0.64 0.20 0.00 0.00 0.00 175.76 176.71 1j5i s GLY 23 N 0.16 2.75 -0.68 0.00 0.00 0.28 -0.78 107.32 109.05 1j5i s GLY 23 Ca 0.30 -3.50 -0.24 0.00 0.00 0.00 0.00 44.72 41.28 1j5i s GLY 23 CO 0.15 1.17 1.06 0.00 0.00 0.00 0.00 173.10 175.48 1j5i s ALA 24 N -0.51 3.00 0.00 3.20 0.00 0.10 -1.48 121.76 126.07 1j5i s ALA 24 Ca 0.21 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.48 1j5i s ALA 24 Cb -0.14 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 18.99 1j5i s ALA 24 CO -0.07 -2.94 0.00 0.41 0.00 0.00 0.00 175.76 173.16 1j5i n GLY 25 N 5.34 1.29 0.00 0.00 0.00 -0.25 -1.58 105.19 109.99 1j5i n GLY 25 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.04 0.00 -4.52 0.99 -0.00 -0.61 -4.80 117.00 108.02 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 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.61 1j5i n LEU 26 CO 0.00 0.00 1.57 -1.10 -0.00 0.00 0.00 177.39 177.86 1j5i s GLN 27 N 0.22 3.94 -0.03 1.96 -1.52 -1.26 -4.78 119.66 118.18 1j5i s GLN 27 Ca 0.00 -2.10 -0.30 0.00 -1.95 0.00 0.00 55.36 51.00 1j5i s GLN 27 Cb 0.00 -5.26 -0.09 0.00 -0.22 0.00 0.00 33.01 27.45 1j5i s GLN 27 CO 0.00 -2.00 2.02 0.00 -0.25 0.00 0.00 175.29 175.06 1j5i n ALA 28 N 7.14 1.53 0.00 6.09 0.00 -1.26 -0.54 120.51 133.46 1j5i n ALA 28 Ca 0.39 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1j5i n ALA 28 Cb 0.46 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 17.20 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 4.79 2.86 3.44 0.00 0.00 -0.05 -4.86 105.19 111.37 1j5i n GLY 29 Ca 0.22 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.00 -3.62 2.61 -2.24 0.29 -4.89 114.28 106.44 1j5i n THR 30 Ca 0.00 -1.30 -0.14 0.00 -2.27 0.00 0.00 64.05 60.34 1j5i n THR 30 Cb 0.00 -1.07 -0.07 0.00 -2.10 0.00 0.00 70.33 67.10 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 -3.29 -1.79 0.36 6.98 0.00 -1.26 -1.74 121.76 121.01 1j5i s ALA 31 Ca 0.60 1.95 0.07 0.00 0.00 0.00 0.00 51.96 54.59 1j5i s ALA 31 Cb -0.03 -1.08 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 1j5i s ALA 31 CO 0.40 -0.34 0.25 0.66 0.00 0.00 0.00 175.76 176.74 1j5i n TYR 32 N 2.49 -0.55 -3.18 0.00 4.01 0.15 -4.84 117.16 115.24 1j5i n TYR 32 Ca -0.14 -2.80 -0.40 0.00 -0.16 0.00 0.00 57.90 54.40 1j5i n TYR 32 Cb 0.55 0.21 -0.07 0.00 -0.31 0.00 0.00 39.34 39.73 1j5i n TYR 32 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1j5i s ASP 33 N -3.42 6.57 0.10 7.72 1.01 -1.18 0.16 116.67 127.64 1j5i s ASP 33 Ca 0.35 0.70 -0.18 0.00 0.71 0.00 0.00 52.55 54.13 1j5i s ASP 33 Cb 0.02 -2.32 -0.07 0.00 1.01 0.00 0.00 42.92 41.56 1j5i s ASP 33 CO 0.25 -0.27 0.57 -0.69 0.21 0.00 0.00 175.17 175.24 1j5i s VAL 34 N 2.03 4.76 0.00 -1.27 1.01 -0.28 -0.71 120.40 125.95 1j5i s VAL 34 Ca 0.25 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.35 1j5i s VAL 34 Cb -0.16 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1j5i s VAL 34 CO 0.09 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1j5i n GLY 35 N 1.43 1.74 3.49 4.51 0.00 0.67 -0.99 105.19 116.05 1j5i n GLY 35 Ca -0.09 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 1j5i n GLY 35 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1j5i s GLN 36 N -2.00 3.24 0.09 1.61 -2.07 -1.25 -1.56 119.66 117.71 1j5i s GLN 36 Ca 0.00 -0.52 0.04 0.00 -1.82 0.00 0.00 55.36 53.06 1j5i s GLN 36 Cb 0.00 -4.02 -0.04 0.00 -1.09 0.00 0.00 33.01 27.86 1j5i s GLN 36 CO 0.00 -1.18 0.04 0.00 -1.32 0.00 0.00 175.29 172.83 1j5i s ALA 38 N -1.36 -2.08 -0.31 0.00 0.00 -0.46 -1.61 121.76 115.94 1j5i s ALA 38 Ca 0.28 1.47 -0.28 0.00 0.00 0.00 0.00 51.96 53.42 1j5i s ALA 38 Cb -0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 1j5i s ALA 38 CO 0.20 -0.65 1.90 1.67 0.00 0.00 0.00 175.76 178.87 1j5i s TRP 39 N -2.45 1.66 -0.22 0.00 1.48 -1.26 0.03 118.94 118.17 1j5i s TRP 39 Ca 0.10 0.62 -0.08 0.00 -1.06 0.00 0.00 56.10 55.68 1j5i s TRP 39 Cb -0.00 -4.08 -0.11 0.00 -1.16 0.00 0.00 33.47 28.12 1j5i s TRP 39 CO -0.05 -3.17 -0.27 1.55 -4.06 0.00 0.00 176.95 170.95 1j5i n VAL 40 N 7.49 1.24 -2.57 -0.66 3.14 -0.28 -4.57 118.33 122.12 1j5i n VAL 40 Ca 0.24 -0.35 -0.22 0.00 -2.96 0.00 0.00 64.34 61.05 1j5i n VAL 40 Cb 0.47 -1.68 0.05 0.00 -1.06 0.00 0.00 33.84 31.61 1j5i n VAL 40 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1j5i s ASP 41 N -6.82 5.15 -0.59 6.55 2.15 -1.09 -4.85 116.67 117.16 1j5i s ASP 41 Ca -0.31 0.04 -0.13 0.00 0.43 0.00 0.00 52.55 52.58 1j5i s ASP 41 Cb 0.11 -0.85 -0.16 0.00 -0.30 0.00 0.00 42.92 41.72 1j5i s ASP 41 CO 0.42 -1.26 1.47 0.41 -0.17 0.00 0.00 175.17 176.04 1j5i n THR 42 N -2.46 0.00 -2.03 1.71 -1.04 -1.26 0.21 114.28 109.41 1j5i n THR 42 Ca 0.08 -0.13 -0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1j5i n THR 42 Cb 0.60 -0.17 -0.00 0.00 -1.82 0.00 0.00 70.33 68.94 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 3.61 -0.33 3.62 3.41 0.00 -1.26 -4.84 105.19 109.39 1j5i n GLY 43 Ca 0.40 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.70 4.86 -0.41 1.61 1.01 0.56 -5.00 120.40 121.33 1j5i s VAL 44 Ca 0.00 -0.00 -0.28 0.00 0.00 0.00 0.00 61.98 61.70 1j5i s VAL 44 Cb 0.00 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 1j5i s VAL 44 CO 0.00 0.42 1.80 -0.76 0.00 0.00 0.00 175.10 176.56 1j5i s LEU 45 N 0.69 3.46 -0.07 3.92 1.43 -1.26 -1.13 118.68 125.72 1j5i s LEU 45 Ca 0.04 1.04 0.04 0.00 -1.03 0.00 0.00 54.13 54.23 1j5i s LEU 45 Cb -0.13 -3.25 -0.02 0.00 0.03 0.00 0.00 46.19 42.82 1j5i s LEU 45 CO 0.02 -1.88 -0.20 0.00 0.23 0.00 0.00 176.35 174.52 1j5i s ALA 46 N 7.45 2.39 0.32 4.21 0.00 0.10 -0.96 121.76 135.28 1j5i s ALA 46 Ca 0.76 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.73 1j5i s ALA 46 Cb -0.19 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 1j5i s ALA 46 CO 0.30 0.44 0.50 0.00 0.00 0.00 0.00 175.76 177.00 1j5i s ASN 48 N -4.03 5.57 0.22 0.00 0.02 -1.06 -0.72 114.94 114.94 1j5i s ASN 48 Ca 0.39 0.79 0.25 0.00 -1.02 0.00 0.00 52.86 53.27 1j5i s ASN 48 Cb -0.09 -1.75 0.90 0.00 0.02 0.00 0.00 41.25 40.33 1j5i s ASN 48 CO 0.34 -1.11 1.74 -0.81 0.02 0.00 0.00 177.10 177.28 1j5i n PRO 49 N -2.66 0.22 -0.37 -0.60 -0.04 -1.20 -2.20 135.00 128.15 1j5i n PRO 49 Ca 0.05 0.31 0.08 0.00 -0.04 0.00 0.00 63.50 63.90 1j5i n PRO 49 Cb 0.57 -1.82 0.25 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.77 2.59 0.95 0.55 0.00 -1.26 -4.29 120.51 117.28 1j5i n ALA 50 Ca 0.04 -1.49 0.05 0.00 0.00 0.00 0.00 53.44 52.04 1j5i n ALA 50 Cb 0.33 -0.71 0.15 0.00 0.00 0.00 0.00 19.45 19.21 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 0.67 1.77 -4.23 0.00 2.03 -0.93 -4.62 116.55 111.24 1j5i n ASP 51 Ca 0.19 -2.00 -0.42 0.00 0.52 0.00 0.00 54.79 53.08 1j5i n ASP 51 Cb 0.66 -0.22 -0.05 0.00 -0.72 0.00 0.00 41.12 40.79 1j5i n ASP 51 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1j5i s PHE 52 N -1.56 3.66 -0.38 -0.67 0.08 -1.21 -2.85 117.98 115.05 1j5i s PHE 52 Ca 0.22 -2.36 0.04 0.00 0.12 0.00 0.00 56.93 54.95 1j5i s PHE 52 Cb 0.12 -3.56 0.16 0.00 -0.57 0.00 0.00 43.02 39.17 1j5i s PHE 52 CO 0.15 -0.92 0.42 0.45 -0.10 0.00 0.00 175.22 175.22 1j5i s SER 53 N 1.43 0.76 0.44 1.36 0.15 -0.16 -4.97 113.70 112.71 1j5i s SER 53 Ca 0.19 -1.52 -0.14 0.00 0.70 0.00 0.00 55.95 55.19 1j5i s SER 53 Cb -0.14 0.75 -0.11 0.00 -1.71 0.00 0.00 66.02 64.81 1j5i s SER 53 CO -0.07 -0.24 -0.18 -0.24 1.20 0.00 0.00 173.24 173.71 1j5i n SER 54 N 4.21 -3.08 -3.73 5.45 2.88 -1.26 -1.12 113.62 116.96 1j5i n SER 54 Ca 0.12 0.44 -0.14 0.00 -1.33 0.00 0.00 58.87 57.96 1j5i n SER 54 Cb 0.47 -0.63 -0.09 0.00 -0.75 0.00 0.00 64.21 63.21 1j5i n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1j5i s VAL 55 N -1.52 0.04 -0.01 2.46 0.11 0.43 -4.53 120.40 117.39 1j5i s VAL 55 Ca 0.41 -0.34 -0.00 0.00 -2.93 0.00 0.00 61.98 59.12 1j5i s VAL 55 Cb -0.34 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 1j5i s VAL 55 CO 0.52 -0.19 0.02 0.28 -3.33 0.00 0.00 175.10 172.40 1j5i s THR 56 N -1.05 -0.01 -0.22 5.04 -1.32 -1.26 0.32 115.64 117.13 1j5i s THR 56 Ca -0.11 0.03 -0.13 0.00 -1.21 0.00 0.00 61.69 60.27 1j5i s THR 56 Cb -0.04 -0.04 -0.05 0.00 -1.51 0.00 0.00 72.50 70.86 1j5i s THR 56 CO 0.04 0.01 0.26 0.00 -2.21 0.00 0.00 174.62 172.72 1j5i s ALA 57 N 0.14 3.59 0.84 11.08 0.00 -0.71 -4.14 121.76 132.55 1j5i s ALA 57 Ca -0.01 -0.74 -0.11 0.00 0.00 0.00 0.00 51.96 51.10 1j5i s ALA 57 Cb -0.02 -2.45 0.10 0.00 0.00 0.00 0.00 23.12 20.76 1j5i s ALA 57 CO -0.00 -0.23 1.16 -0.51 0.00 0.00 0.00 175.76 176.17 1j5i s ASP 58 N 1.04 3.51 0.43 0.00 -0.00 0.69 -0.87 116.67 121.47 1j5i s ASP 58 Ca 0.12 2.18 0.35 0.00 -0.00 0.00 0.00 52.55 55.21 1j5i s ASP 58 Cb -0.14 -2.57 1.40 0.00 -0.00 0.00 0.00 42.92 41.61 1j5i s ASP 58 CO 0.06 -2.71 1.37 0.00 -0.00 0.00 0.00 175.17 173.89 1j5i n ALA 59 N -3.70 1.39 -0.48 5.23 0.00 -1.26 0.45 120.51 122.14 1j5i n ALA 59 Ca 0.12 0.69 -0.14 0.00 0.00 0.00 0.00 53.44 54.11 1j5i n ALA 59 Cb 0.52 -0.96 0.06 0.00 0.00 0.00 0.00 19.45 19.06 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 -4.15 4.98 -4.49 0.00 2.85 -1.26 -4.64 115.26 108.55 1j5i n ASN 60 Ca 0.37 -2.90 -0.40 0.00 -0.11 0.00 0.00 54.58 51.54 1j5i n ASN 60 Cb 1.54 -0.87 -0.08 0.00 1.24 0.00 0.00 39.78 41.61 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 0.08 -0.32 3.22 8.20 0.00 1.59 -4.57 105.19 113.37 1j5i n GLY 61 Ca 0.28 0.10 -0.39 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.56 5.47 -0.81 1.61 0.01 -1.03 -1.09 113.70 114.31 1j5i s SER 62 Ca 0.61 -1.65 -0.07 0.00 1.31 0.00 0.00 55.95 56.15 1j5i s SER 62 Cb -0.36 -1.92 0.21 0.00 0.21 0.00 0.00 66.02 64.16 1j5i s SER 62 CO 1.02 -0.53 0.70 0.00 0.41 0.00 0.00 173.24 174.85 1j5i s ALA 63 N 1.33 4.03 -1.11 1.44 0.00 -0.55 -0.22 121.76 126.68 1j5i s ALA 63 Ca 0.04 -3.49 -0.11 0.00 0.00 0.00 0.00 51.96 48.39 1j5i s ALA 63 Cb -0.23 -3.07 0.23 0.00 0.00 0.00 0.00 23.12 20.05 1j5i s ALA 63 CO -0.00 -2.18 1.18 -1.54 0.00 0.00 0.00 175.76 173.21 1j5i s SER 64 N 1.01 7.16 -0.18 0.00 1.04 -1.25 0.10 113.70 121.58 1j5i s SER 64 Ca 0.21 -3.25 -0.04 0.00 0.48 0.00 0.00 55.95 53.35 1j5i s SER 64 Cb -0.13 -2.28 -0.02 0.00 0.10 0.00 0.00 66.02 63.69 1j5i s SER 64 CO -0.08 -0.49 -0.03 0.28 0.98 0.00 0.00 173.24 173.90 1j5i s THR 65 N -0.06 3.85 -0.10 2.02 -1.32 0.70 -4.87 115.64 115.86 1j5i s THR 65 Ca 0.33 -0.36 -0.06 0.00 -1.21 0.00 0.00 61.69 60.39 1j5i s THR 65 Cb -0.08 -2.71 -0.04 0.00 -1.51 0.00 0.00 72.50 68.17 1j5i s THR 65 CO -0.06 0.46 0.14 -0.94 -2.21 0.00 0.00 174.62 172.01 1j5i s SER 66 N 0.68 6.32 0.18 8.08 1.04 -1.26 0.43 113.70 129.17 1j5i s SER 66 Ca -0.02 0.44 -0.04 0.00 0.48 0.00 0.00 55.95 56.82 1j5i s SER 66 Cb -0.14 -2.03 0.01 0.00 0.10 0.00 0.00 66.02 63.96 1j5i s SER 66 CO 0.02 0.39 0.30 -0.11 0.98 0.00 0.00 173.24 174.82 1j5i n LEU 67 N 1.86 0.00 -4.63 2.42 -0.00 -0.65 -4.93 117.00 111.07 1j5i n LEU 67 Ca -0.19 -1.33 -0.34 0.00 -0.00 0.00 0.00 56.01 54.15 1j5i n LEU 67 Cb 0.55 1.50 -0.10 0.00 -0.00 0.00 0.00 43.42 45.37 1j5i n LEU 67 CO 0.32 -0.36 -0.25 0.28 -0.00 0.00 0.00 177.39 177.38 1j5i s THR 68 N -2.60 4.76 -1.05 1.96 -1.32 -1.26 -1.58 115.64 114.56 1j5i s THR 68 Ca 0.11 -0.04 -0.17 0.00 -1.21 0.00 0.00 61.69 60.39 1j5i s THR 68 Cb -0.01 -3.15 0.15 0.00 -1.51 0.00 0.00 72.50 67.98 1j5i s THR 68 CO 0.08 0.46 1.25 -0.69 -2.21 0.00 0.00 174.62 173.51 1j5i s VAL 69 N 0.39 4.87 -0.47 5.08 1.01 0.36 -4.82 120.40 126.82 1j5i s VAL 69 Ca 0.03 -2.04 -0.13 0.00 0.00 0.00 0.00 61.98 59.84 1j5i s VAL 69 Cb -0.12 -4.83 0.09 0.00 0.00 0.00 0.00 36.38 31.51 1j5i s VAL 69 CO 0.00 -1.55 0.37 -0.13 0.00 0.00 0.00 175.10 173.80 1j5i s ARG 70 N 2.18 2.83 0.17 2.72 1.81 -1.26 0.14 118.95 127.54 1j5i s ARG 70 Ca 0.37 -1.49 0.04 0.00 -1.72 0.00 0.00 55.73 52.93 1j5i s ARG 70 Cb -0.04 -4.05 0.01 0.00 -0.45 0.00 0.00 34.95 30.42 1j5i s ARG 70 CO -0.05 -1.08 1.39 -0.09 -0.68 0.00 0.00 175.30 174.78 1j5i h ARG 71 N 8.66 0.13 -5.58 3.54 2.43 -1.85 -3.44 114.38 118.28 1j5i h ARG 71 Ca -0.26 -0.15 -0.59 0.00 -0.81 0.00 0.00 59.98 58.17 1j5i h ARG 71 Cb 1.10 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.60 1j5i h ARG 71 CO 0.88 0.91 -0.23 -1.12 -1.51 0.00 0.00 179.97 178.90 1j5i s SER 72 N -6.88 6.53 0.00 -3.80 0.01 -1.26 0.04 113.70 108.34 1j5i s SER 72 Ca -0.02 0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.87 1j5i s SER 72 Cb 0.10 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 64.10 1j5i s SER 72 CO 0.82 0.03 0.00 0.49 0.41 0.00 0.00 173.24 174.99 1j5i n PHE 73 N 3.75 0.00 -2.70 2.43 3.72 0.11 -4.89 117.46 119.88 1j5i n PHE 73 Ca -0.09 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.88 1j5i n PHE 73 Cb 0.52 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.03 1j5i n PHE 73 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1j5i s GLU 74 N -2.00 4.27 0.41 -1.08 2.56 -1.24 -0.01 118.70 121.61 1j5i s GLU 74 Ca 0.00 1.30 -0.02 0.00 0.00 0.00 0.00 54.97 56.25 1j5i s GLU 74 Cb 0.00 -3.63 -0.03 0.00 2.00 0.00 0.00 34.13 32.47 1j5i s GLU 74 CO 0.00 -0.56 0.66 0.20 -0.56 0.00 0.00 175.26 174.99 1j5i s GLY 75 N 1.20 1.42 -0.06 -1.50 0.00 0.13 -3.25 107.32 105.27 1j5i s GLY 75 Ca 0.43 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 44.44 1j5i s GLY 75 CO 0.08 -0.61 -0.06 -0.12 0.00 0.00 0.00 173.10 172.39 1j5i s PHE 76 N -2.51 0.92 0.59 1.90 2.19 0.11 -1.04 117.98 120.14 1j5i s PHE 76 Ca 0.43 -0.30 -0.18 0.00 0.33 0.00 0.00 56.93 57.21 1j5i s PHE 76 Cb -0.10 -0.79 -0.04 0.00 -1.31 0.00 0.00 43.02 40.78 1j5i s PHE 76 CO 0.40 -0.24 1.16 -0.51 1.83 0.00 0.00 175.22 177.85 1j5i s LEU 77 N 1.04 3.64 0.35 6.12 1.02 0.73 -0.38 118.68 131.19 1j5i s LEU 77 Ca -0.09 2.23 0.24 0.00 0.02 0.00 0.00 54.13 56.53 1j5i s LEU 77 Cb -0.14 -4.58 0.54 0.00 0.02 0.00 0.00 46.19 42.02 1j5i s LEU 77 CO -0.00 -1.47 1.68 2.19 0.02 0.00 0.00 176.35 178.76 1j5i h PHE 78 N 0.81 0.00 -0.18 0.29 -0.00 -1.28 -3.27 116.94 113.32 1j5i h PHE 78 Ca -0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.47 1j5i h PHE 78 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.21 1j5i h PHE 78 CO 0.50 0.00 0.10 0.22 -0.00 0.00 0.00 178.31 179.13 1j5i h ASP 79 N 0.00 0.22 0.00 -0.68 -0.00 -1.92 -3.46 116.42 110.58 1j5i h ASP 79 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 57.03 56.95 1j5i h ASP 79 Cb 0.89 -0.06 0.00 0.00 -0.00 0.00 0.00 39.33 40.16 1j5i h ASP 79 CO 0.00 0.23 0.00 0.61 -0.00 0.00 0.00 179.24 180.08 1j5i n GLY 80 N -0.95 0.35 3.95 -0.78 0.00 -1.23 -5.15 105.19 101.39 1j5i n GLY 80 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 1j5i n GLY 80 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j5i s THR 81 N 0.00 2.76 0.08 2.61 -1.32 -1.26 -4.91 115.64 113.60 1j5i s THR 81 Ca 0.00 -0.46 0.06 0.00 -1.21 0.00 0.00 61.69 60.08 1j5i s THR 81 Cb 0.00 -3.09 -0.04 0.00 -1.51 0.00 0.00 72.50 67.86 1j5i s THR 81 CO 0.00 -0.08 -0.09 0.00 -2.21 0.00 0.00 174.62 172.24 1j5i s ARG 82 N -4.92 2.22 0.00 7.08 1.70 -1.26 -0.19 118.95 123.58 1j5i s ARG 82 Ca 0.57 -0.96 0.00 0.00 -0.47 0.00 0.00 55.73 54.87 1j5i s ARG 82 Cb -0.10 -2.34 0.00 0.00 -0.57 0.00 0.00 34.95 31.93 1j5i s ARG 82 CO 0.41 0.53 0.00 1.87 -1.08 0.00 0.00 175.30 177.03 1j5i n TRP 83 N 0.89 0.00 0.00 5.89 -0.00 -0.20 -4.77 117.44 119.25 1j5i n TRP 83 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.36 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 3.34 1.29 5.00 5.87 0.00 -0.63 -4.74 105.19 115.32 1j5i n GLY 84 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 0.20 114.28 114.79 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 -3.54 12.58 0.24 0.99 -4.85 118.33 123.74 1j5i n VAL 86 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.04 1j5i n VAL 86 Cb 0.00 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.22 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 -0.70 2.81 -0.41 -1.34 -1.08 -1.26 0.05 116.67 114.74 1j5i s ASP 87 Ca 0.00 -0.95 -0.02 0.00 -0.52 0.00 0.00 52.55 51.06 1j5i s ASP 87 Cb 0.00 -0.16 0.20 0.00 -1.46 0.00 0.00 42.92 41.50 1j5i s ASP 87 CO 0.00 -0.40 2.25 0.00 0.52 0.00 0.00 175.17 177.54 1j5i n THR 89 N 0.35 0.27 -0.09 0.00 5.66 -1.26 -4.19 114.28 115.01 1j5i n THR 89 Ca 0.40 -0.23 -0.18 0.00 -3.05 0.00 0.00 64.05 60.99 1j5i n THR 89 Cb 0.57 -0.01 -0.10 0.00 -1.55 0.00 0.00 70.33 69.24 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 0.85 -3.56 1.09 2.02 -1.98 -3.45 112.91 107.88 1j5i h THR 90 Ca 0.00 -2.00 -0.62 0.00 0.77 0.00 0.00 66.41 64.56 1j5i h THR 90 Cb 0.71 1.96 -0.13 0.00 -1.74 0.00 0.00 68.15 68.95 1j5i h THR 90 CO 0.00 0.29 0.09 0.00 0.37 0.00 0.00 175.52 176.27 1j5i s ALA 91 N -2.41 3.52 -0.30 6.16 0.00 -1.26 -4.98 121.76 122.49 1j5i s ALA 91 Ca -0.25 -0.73 -0.33 0.00 0.00 0.00 0.00 51.96 50.65 1j5i s ALA 91 Cb 0.04 -3.07 -0.10 0.00 0.00 0.00 0.00 23.12 20.00 1j5i s ALA 91 CO 0.53 -1.09 2.18 0.00 0.00 0.00 0.00 175.76 177.38 1j5i n ALA 92 N 5.84 1.25 -2.67 0.00 0.00 -1.26 -4.87 120.51 118.80 1j5i n ALA 92 Ca -0.02 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1j5i n ALA 92 Cb 0.49 -2.64 -0.04 0.00 0.00 0.00 0.00 19.45 17.26 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 2.16 3.63 -0.48 0.00 -2.07 -0.63 -0.45 119.66 121.82 1j5i s GLN 94 Ca 0.40 -0.53 -0.25 0.00 -1.82 0.00 0.00 55.36 53.16 1j5i s GLN 94 Cb -0.17 -3.64 0.03 0.00 -1.09 0.00 0.00 33.01 28.14 1j5i s GLN 94 CO 0.13 -0.32 0.90 0.08 -1.32 0.00 0.00 175.29 174.76 1j5i s VAL 95 N 1.70 4.49 0.36 3.63 1.01 -0.33 -1.08 120.40 130.18 1j5i s VAL 95 Ca 0.06 0.59 -0.13 0.00 0.00 0.00 0.00 61.98 62.50 1j5i s VAL 95 Cb -0.17 -4.43 0.04 0.00 0.00 0.00 0.00 36.38 31.82 1j5i s VAL 95 CO 0.09 -0.87 0.69 -0.83 0.00 0.00 0.00 175.10 174.18 1j5i s GLY 96 N 2.35 0.63 -0.28 4.51 0.00 -0.60 -1.64 107.32 112.30 1j5i s GLY 96 Ca 0.34 -0.92 -0.08 0.00 0.00 0.00 0.00 44.72 44.06 1j5i s GLY 96 CO 0.24 -0.49 0.09 0.48 0.00 0.00 0.00 173.10 173.43 1j5i s LEU 97 N -3.10 3.70 -0.04 0.66 2.34 -1.25 -0.24 118.68 120.75 1j5i s LEU 97 Ca 0.19 -0.41 -0.27 0.00 0.06 0.00 0.00 54.13 53.71 1j5i s LEU 97 Cb -0.04 -1.93 -0.03 0.00 -0.56 0.00 0.00 46.19 43.63 1j5i s LEU 97 CO 0.13 -0.11 0.84 -0.55 -1.06 0.00 0.00 176.35 175.61 1j5i s SER 98 N 1.59 7.17 0.90 1.48 0.15 0.11 -4.45 113.70 120.65 1j5i s SER 98 Ca 0.05 1.42 -0.11 0.00 0.70 0.00 0.00 55.95 58.01 1j5i s SER 98 Cb -0.16 -2.49 0.13 0.00 -1.71 0.00 0.00 66.02 61.79 1j5i s SER 98 CO 0.04 -0.21 1.11 -1.81 1.20 0.00 0.00 173.24 173.57 1j5i s ASP 99 N 0.92 3.21 -0.01 5.45 1.11 -0.59 -3.09 116.67 123.68 1j5i s ASP 99 Ca 0.45 1.90 0.08 0.00 0.18 0.00 0.00 52.55 55.16 1j5i s ASP 99 Cb -0.19 -2.46 0.25 0.00 1.07 0.00 0.00 42.92 41.58 1j5i s ASP 99 CO 0.22 -2.87 1.18 0.00 1.18 0.00 0.00 175.17 174.88 1j5i n ALA 100 N -4.07 2.51 0.35 5.23 0.00 -1.26 -3.23 120.51 120.04 1j5i n ALA 100 Ca 0.09 -0.50 0.11 0.00 0.00 0.00 0.00 53.44 53.15 1j5i n ALA 100 Cb 0.53 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 19.01 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 0.29 2.98 0.00 0.00 0.00 -1.26 -4.96 120.51 117.56 1j5i n ALA 101 Ca 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1j5i n ALA 101 Cb 0.26 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 1.29 0.89 3.03 0.00 0.00 -1.20 -5.13 105.19 104.07 1j5i n GLY 102 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.72 0.26 -0.43 1.61 0.02 -1.26 -5.04 114.94 108.39 1j5i s ASN 103 Ca 0.00 -0.57 0.10 0.00 -1.02 0.00 0.00 52.86 51.37 1j5i s ASN 103 Cb 0.00 0.14 0.33 0.00 0.02 0.00 0.00 41.25 41.74 1j5i s ASN 103 CO 0.00 -0.39 0.74 0.61 0.02 0.00 0.00 177.10 178.08 1j5i n GLY 104 N 1.21 3.91 0.13 0.66 0.00 -1.26 -1.54 105.19 108.31 1j5i n GLY 104 Ca -0.21 -1.93 -0.07 0.00 0.00 0.00 0.00 46.02 43.81 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 3.22 0.18 -6.51 1.61 0.13 -1.99 -3.44 132.00 125.21 1j5i h PRO 105 Ca 0.11 -0.18 -0.53 0.00 -0.87 0.00 0.00 66.00 64.52 1j5i h PRO 105 Cb 0.85 0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.00 1j5i h PRO 105 CO 0.57 0.89 0.14 -1.21 -0.23 0.00 0.00 178.00 178.16 1j5i s GLU 106 N -3.33 4.45 0.00 0.86 8.01 -1.26 -4.99 118.70 122.44 1j5i s GLU 106 Ca -0.03 1.05 0.00 0.00 0.01 0.00 0.00 54.97 56.00 1j5i s GLU 106 Cb 0.11 -3.16 0.00 0.00 -4.31 0.00 0.00 34.13 26.77 1j5i s GLU 106 CO 0.82 0.53 0.00 0.41 0.01 0.00 0.00 175.26 177.03 1j5i n GLY 107 N 1.38 3.81 3.51 -1.39 0.00 -1.26 -3.96 105.19 107.27 1j5i n GLY 107 Ca -0.05 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 4.46 -0.87 1.61 0.11 -0.65 -4.67 120.40 120.40 1j5i s VAL 108 Ca 0.00 -0.13 -0.26 0.00 -2.93 0.00 0.00 61.98 58.66 1j5i s VAL 108 Cb 0.00 -3.06 -0.17 0.00 -1.53 0.00 0.00 36.38 31.62 1j5i s VAL 108 CO 0.00 0.38 2.34 0.00 -3.33 0.00 0.00 175.10 174.48 1j5i n ALA 109 N 4.47 0.29 -2.49 1.54 0.00 -1.26 -1.19 120.51 121.87 1j5i n ALA 109 Ca -0.16 -1.62 -0.38 0.00 0.00 0.00 0.00 53.44 51.28 1j5i n ALA 109 Cb 0.52 -3.30 -0.06 0.00 0.00 0.00 0.00 19.45 16.61 1j5i n ALA 109 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1j5i s ILE 110 N 15.55 5.00 0.00 0.00 -1.16 0.40 -4.56 121.20 136.44 1j5i s ILE 110 Ca 0.90 0.91 0.00 0.00 -0.51 0.00 0.00 60.65 61.95 1j5i s ILE 110 Cb -0.11 -3.75 0.00 0.00 0.61 0.00 0.00 42.46 39.20 1j5i s ILE 110 CO 0.11 0.54 0.00 -1.54 -2.81 0.00 0.00 174.94 171.24 1j5i n SER 111 N 2.05 0.00 -2.81 4.50 3.41 -0.77 -4.13 113.62 115.87 1j5i n SER 111 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1j5i n SER 111 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1j5i n SER 111 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1j5i n PHE 112 N 0.00 0.00 0.00 7.33 3.01 -1.26 0.20 117.46 126.74 1j5i n PHE 112 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1j5i n PHE 112 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1j5i n PHE 112 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04