#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 3.42 -1.71 0.00 0.00 -1.26 -4.89 121.76 117.32 1j5i s ALA 2 Ca 0.00 -0.70 0.23 0.00 0.00 0.00 0.00 51.96 51.50 1j5i s ALA 2 Cb 0.00 -3.35 1.28 0.00 0.00 0.00 0.00 23.12 21.05 1j5i s ALA 2 CO 0.00 -1.50 1.77 -0.35 0.00 0.00 0.00 175.76 175.67 1j5i n PRO 3 N 6.41 0.53 0.00 0.00 -0.04 -1.25 -4.95 135.00 135.70 1j5i n PRO 3 Ca 0.03 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1j5i n PRO 3 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.15 0.00 -1.74 0.52 -2.24 -1.07 -4.50 114.28 104.11 1j5i n THR 4 Ca 0.14 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.50 1j5i n THR 4 Cb 0.13 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 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 -1.91 2.99 0.01 6.98 0.00 -1.15 -3.44 121.76 125.25 1j5i s ALA 5 Ca 0.00 0.79 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 1j5i s ALA 5 Cb 0.00 -3.99 -0.01 0.00 0.00 0.00 0.00 23.12 19.12 1j5i s ALA 5 CO 0.00 -2.41 -0.00 0.95 0.00 0.00 0.00 175.76 174.30 1j5i s THR 6 N 6.91 0.07 -0.22 0.00 -4.23 -0.29 -4.37 115.64 113.50 1j5i s THR 6 Ca 0.92 -0.54 -0.22 0.00 -1.18 0.00 0.00 61.69 60.66 1j5i s THR 6 Cb -0.33 -0.18 -0.02 0.00 1.34 0.00 0.00 72.50 73.31 1j5i s THR 6 CO 0.35 -0.30 0.69 -0.69 -0.54 0.00 0.00 174.62 174.14 1j5i s VAL 7 N -0.88 4.96 0.01 2.29 1.01 -1.25 -0.93 120.40 125.60 1j5i s VAL 7 Ca -0.10 1.29 -0.04 0.00 0.00 0.00 0.00 61.98 63.13 1j5i s VAL 7 Cb -0.06 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 1j5i s VAL 7 CO -0.00 0.04 1.07 0.74 0.00 0.00 0.00 175.10 176.94 1j5i h THR 8 N 5.30 0.00 0.00 3.92 2.02 -1.72 -3.09 112.91 119.35 1j5i h THR 8 Ca -0.28 0.00 -0.50 0.00 0.77 0.00 0.00 66.41 66.40 1j5i h THR 8 Cb 1.13 0.00 0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1j5i h THR 8 CO 0.80 0.00 3.10 -0.81 0.37 0.00 0.00 175.52 178.98 1j5i n PRO 9 N -2.61 2.75 -0.40 6.66 -0.04 -1.26 -4.50 135.00 135.60 1j5i n PRO 9 Ca -0.02 -1.76 0.01 0.00 -0.04 0.00 0.00 63.50 61.70 1j5i n PRO 9 Cb 0.06 -2.59 0.16 0.00 -0.04 0.00 0.00 33.50 31.08 1j5i n PRO 9 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1j5i n SER 10 N 3.92 3.04 -4.62 3.54 3.41 -1.17 -4.65 113.62 117.09 1j5i n SER 10 Ca 0.59 -2.43 -0.34 0.00 -0.26 0.00 0.00 58.87 56.42 1j5i n SER 10 Cb 0.18 -0.59 -0.10 0.00 -0.26 0.00 0.00 64.21 63.44 1j5i n SER 10 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1j5i s SER 11 N -0.27 5.04 -1.42 4.04 0.15 -1.26 -1.81 113.70 118.18 1j5i s SER 11 Ca 0.23 0.06 -0.04 0.00 0.70 0.00 0.00 55.95 56.90 1j5i s SER 11 Cb 0.18 -1.48 0.04 0.00 -1.71 0.00 0.00 66.02 63.04 1j5i s SER 11 CO 0.06 0.33 0.10 0.61 1.20 0.00 0.00 173.24 175.54 1j5i n GLY 12 N 2.48 -0.15 3.09 9.45 0.00 0.63 -4.79 105.19 115.89 1j5i n GLY 12 Ca -0.18 0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.06 -4.02 -3.92 0.99 -0.00 -0.79 -5.00 117.00 100.21 1j5i n LEU 13 Ca -0.22 0.13 -0.12 0.00 -0.00 0.00 0.00 56.01 55.80 1j5i n LEU 13 Cb 0.58 -0.78 -0.13 0.00 -0.00 0.00 0.00 43.42 43.09 1j5i n LEU 13 CO 0.77 -4.48 -0.37 -0.55 -0.00 0.00 0.00 177.39 172.76 1j5i s SER 14 N -1.23 0.16 -0.85 1.45 0.15 -1.26 -5.00 113.70 107.12 1j5i s SER 14 Ca 0.43 -0.16 -0.21 0.00 0.70 0.00 0.00 55.95 56.71 1j5i s SER 14 Cb -0.10 0.02 -0.20 0.00 -1.71 0.00 0.00 66.02 64.02 1j5i s SER 14 CO 0.75 -0.08 2.34 -0.67 1.20 0.00 0.00 173.24 176.78 1j5i n ASP 15 N 2.63 0.79 0.00 5.45 2.03 -1.24 0.38 116.55 126.58 1j5i n ASP 15 Ca -0.16 -1.19 0.00 0.00 0.52 0.00 0.00 54.79 53.96 1j5i n ASP 15 Cb 0.58 -1.31 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j5i n GLY 16 N 6.40 1.12 3.66 0.27 0.00 0.63 -4.80 105.19 112.47 1j5i n GLY 16 Ca 0.54 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.17 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 5.15 -0.32 2.61 2.01 0.16 -4.68 115.64 118.57 1j5i s THR 17 Ca 0.00 0.82 -0.29 0.00 0.31 0.00 0.00 61.69 62.53 1j5i s THR 17 Cb 0.00 -3.78 -0.00 0.00 0.01 0.00 0.00 72.50 68.73 1j5i s THR 17 CO 0.00 0.21 1.38 -0.69 -0.69 0.00 0.00 174.62 174.83 1j5i s VAL 18 N 1.53 4.01 0.20 3.82 1.01 -1.26 0.14 120.40 129.85 1j5i s VAL 18 Ca 0.21 1.11 0.11 0.00 0.00 0.00 0.00 61.98 63.41 1j5i s VAL 18 Cb -0.15 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1j5i s VAL 18 CO 0.09 -0.52 -0.21 0.68 0.00 0.00 0.00 175.10 175.14 1j5i s VAL 19 N 4.80 2.53 -0.37 2.92 -7.23 0.60 -4.88 120.40 118.77 1j5i s VAL 19 Ca 0.60 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.65 1j5i s VAL 19 Cb -0.17 -2.23 0.02 0.00 0.56 0.00 0.00 36.38 34.55 1j5i s VAL 19 CO 0.27 -0.15 0.22 -0.54 -0.31 0.00 0.00 175.10 174.59 1j5i s LYS 20 N -2.79 3.01 -0.87 4.82 1.02 -1.26 -1.27 119.74 122.40 1j5i s LYS 20 Ca 0.23 -0.96 -0.20 0.00 0.02 0.00 0.00 55.97 55.06 1j5i s LYS 20 Cb -0.08 -3.77 0.12 0.00 -0.52 0.00 0.00 37.83 33.58 1j5i s LYS 20 CO 0.11 -0.64 1.09 0.08 -0.92 0.00 0.00 175.35 175.07 1j5i s VAL 21 N 1.61 4.63 -0.32 3.17 1.01 0.25 -1.82 120.40 128.93 1j5i s VAL 21 Ca 0.04 -1.30 -0.22 0.00 0.00 0.00 0.00 61.98 60.50 1j5i s VAL 21 Cb -0.19 -4.76 -0.00 0.00 0.00 0.00 0.00 36.38 31.43 1j5i s VAL 21 CO 0.08 -1.50 0.71 0.00 0.00 0.00 0.00 175.10 174.39 1j5i s ALA 22 N 3.01 3.51 -1.07 5.51 0.00 -0.11 -0.85 121.76 131.77 1j5i s ALA 22 Ca 0.30 -0.59 -0.06 0.00 0.00 0.00 0.00 51.96 51.61 1j5i s ALA 22 Cb -0.08 -3.22 0.29 0.00 0.00 0.00 0.00 23.12 20.11 1j5i s ALA 22 CO -0.05 -1.21 1.23 0.41 0.00 0.00 0.00 175.76 176.14 1j5i n GLY 23 N 4.39 4.64 3.57 0.00 0.00 0.14 -1.14 105.19 116.78 1j5i n GLY 23 Ca 0.01 -2.63 -0.42 0.00 0.00 0.00 0.00 46.02 42.98 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 -1.98 2.86 -0.07 4.61 0.00 -1.22 -0.90 121.76 125.06 1j5i s ALA 24 Ca 0.31 -0.82 -0.00 0.00 0.00 0.00 0.00 51.96 51.45 1j5i s ALA 24 Cb -0.03 -4.10 0.00 0.00 0.00 0.00 0.00 23.12 18.99 1j5i s ALA 24 CO -0.00 -2.89 0.03 0.41 0.00 0.00 0.00 175.76 173.30 1j5i n GLY 25 N 5.21 0.65 0.00 0.00 0.00 0.52 -2.59 105.19 108.98 1j5i n GLY 25 Ca 0.10 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.44 0.00 -1.43 0.99 -0.00 -0.39 -4.45 117.00 111.27 1j5i n LEU 26 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.94 1j5i n LEU 26 Cb 0.50 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.96 1j5i n LEU 26 CO 0.02 0.00 0.83 1.67 -0.00 0.00 0.00 177.39 179.91 1j5i n GLN 27 N 0.00 1.35 0.00 1.96 0.00 -1.26 -4.72 117.38 114.70 1j5i n GLN 27 Ca 0.00 -0.78 0.00 0.00 -0.00 0.00 0.00 57.00 56.22 1j5i n GLN 27 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 30.24 28.93 1j5i n GLN 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1j5i n ALA 28 N 0.34 0.00 0.00 1.69 0.00 -1.26 -2.00 120.51 119.27 1j5i n ALA 28 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1j5i n ALA 28 Cb 0.72 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 -1.93 -0.15 0.00 0.00 0.00 -1.25 -0.65 105.19 101.21 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 -4.16 2.61 -1.04 -0.85 -2.90 114.28 107.95 1j5i n THR 30 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 1j5i n THR 30 Cb 0.00 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.37 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 0.49 0.24 2.41 0.00 -1.26 -1.67 121.76 119.87 1j5i s ALA 31 Ca 0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 51.96 51.49 1j5i s ALA 31 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 1j5i s ALA 31 CO 0.00 0.09 0.45 0.71 0.00 0.00 0.00 175.76 177.01 1j5i s TYR 32 N -0.39 0.41 -0.42 0.00 2.02 0.11 -4.67 117.35 114.41 1j5i s TYR 32 Ca -0.00 -0.76 -0.21 0.00 -0.37 0.00 0.00 57.07 55.72 1j5i s TYR 32 Cb -0.04 0.14 0.02 0.00 -0.40 0.00 0.00 41.96 41.68 1j5i s TYR 32 CO -0.00 -0.97 0.66 0.34 -1.57 0.00 0.00 175.55 174.02 1j5i s ASP 33 N -3.03 6.36 0.17 2.29 2.15 -0.77 0.24 116.67 124.09 1j5i s ASP 33 Ca 0.23 -0.18 -0.30 0.00 0.43 0.00 0.00 52.55 52.73 1j5i s ASP 33 Cb -0.00 -2.33 -0.07 0.00 -0.30 0.00 0.00 42.92 40.21 1j5i s ASP 33 CO 0.09 -0.75 0.98 0.54 -0.17 0.00 0.00 175.17 175.86 1j5i s VAL 34 N 2.87 4.21 0.00 1.11 0.11 -0.41 -1.08 120.40 127.21 1j5i s VAL 34 Ca 0.24 1.98 0.00 0.00 -2.93 0.00 0.00 61.98 61.28 1j5i s VAL 34 Cb -0.14 -4.26 0.00 0.00 -1.53 0.00 0.00 36.38 30.45 1j5i s VAL 34 CO 0.19 0.37 0.00 0.61 -3.33 0.00 0.00 175.10 172.94 1j5i n GLY 35 N 1.92 0.85 3.37 6.54 0.00 0.95 -0.59 105.19 118.24 1j5i n GLY 35 Ca 0.01 -0.68 -0.45 0.00 0.00 0.00 0.00 46.02 44.90 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 3.04 0.12 1.61 -0.21 -1.26 -0.87 119.66 120.09 1j5i s GLN 36 Ca 0.00 -1.34 0.05 0.00 0.02 0.00 0.00 55.36 54.09 1j5i s GLN 36 Cb 0.00 -4.23 -0.04 0.00 1.00 0.00 0.00 33.01 29.74 1j5i s GLN 36 CO 0.00 -1.38 0.04 0.00 -2.12 0.00 0.00 175.29 171.83 1j5i n ALA 38 N 0.27 0.00 -2.00 0.00 0.00 -0.66 -1.65 120.51 116.47 1j5i n ALA 38 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 1j5i n ALA 38 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 1j5i n ALA 38 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1j5i s TRP 39 N -2.00 1.78 -0.21 0.00 0.51 -1.26 0.43 118.94 118.19 1j5i s TRP 39 Ca 0.00 0.67 -0.13 0.00 -2.12 0.00 0.00 56.10 54.52 1j5i s TRP 39 Cb 0.00 -4.11 -0.19 0.00 -0.81 0.00 0.00 33.47 28.35 1j5i s TRP 39 CO 0.00 -2.82 0.08 1.55 -0.51 0.00 0.00 176.95 175.25 1j5i n VAL 40 N 7.39 1.60 -1.07 4.03 3.14 -0.42 -4.76 118.33 128.22 1j5i n VAL 40 Ca 0.23 -0.34 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 1j5i n VAL 40 Cb 0.48 -1.85 0.00 0.00 -1.06 0.00 0.00 33.84 31.41 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 -3.99 0.00 -4.57 6.55 -0.08 -1.17 -4.90 116.55 108.39 1j5i n ASP 41 Ca -0.39 -0.10 -0.28 0.00 -1.51 0.00 0.00 54.79 52.51 1j5i n ASP 41 Cb 0.86 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.27 1j5i n ASP 41 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1j5i s THR 42 N 0.87 3.52 -1.46 5.18 2.01 -1.26 -3.24 115.64 121.26 1j5i s THR 42 Ca 0.00 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.29 1j5i s THR 42 Cb 0.00 -4.35 0.00 0.00 0.01 0.00 0.00 72.50 68.16 1j5i s THR 42 CO 0.00 -1.00 0.00 0.61 -0.69 0.00 0.00 174.62 173.54 1j5i n GLY 43 N 6.24 1.34 3.44 4.40 0.00 -1.26 -4.96 105.19 114.39 1j5i n GLY 43 Ca 0.43 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.53 5.08 -0.54 1.61 1.01 -1.20 -4.99 120.40 118.83 1j5i s VAL 44 Ca 0.00 -0.69 -0.26 0.00 0.00 0.00 0.00 61.98 61.03 1j5i s VAL 44 Cb 0.00 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.50 1j5i s VAL 44 CO 0.00 -0.27 2.30 -0.22 0.00 0.00 0.00 175.10 176.91 1j5i s LEU 45 N 1.65 3.35 -0.10 3.92 0.20 -1.26 -1.31 118.68 125.13 1j5i s LEU 45 Ca 0.04 0.85 -0.00 0.00 0.69 0.00 0.00 54.13 55.71 1j5i s LEU 45 Cb -0.19 -2.51 -0.03 0.00 -0.43 0.00 0.00 46.19 43.04 1j5i s LEU 45 CO 0.09 -2.86 -0.08 0.00 -0.29 0.00 0.00 176.35 173.21 1j5i s ALA 46 N 11.81 2.87 0.22 5.97 0.00 0.17 -1.77 121.76 141.03 1j5i s ALA 46 Ca 0.91 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1j5i s ALA 46 Cb -0.16 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 1j5i s ALA 46 CO 0.23 0.42 0.40 0.00 0.00 0.00 0.00 175.76 176.81 1j5i s ASN 48 N -3.39 5.82 0.19 0.00 0.02 -0.85 -0.29 114.94 116.43 1j5i s ASN 48 Ca 0.38 1.34 0.24 0.00 -1.02 0.00 0.00 52.86 53.81 1j5i s ASN 48 Cb -0.11 -2.28 0.91 0.00 0.02 0.00 0.00 41.25 39.79 1j5i s ASN 48 CO 0.30 -1.13 1.74 -0.81 0.02 0.00 0.00 177.10 177.22 1j5i n PRO 49 N -2.90 0.19 -0.51 -0.60 -0.04 -1.20 -2.28 135.00 127.66 1j5i n PRO 49 Ca 0.06 0.28 0.08 0.00 -0.04 0.00 0.00 63.50 63.89 1j5i n PRO 49 Cb 0.55 -1.78 0.28 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.73 3.07 1.20 0.55 0.00 -1.26 -4.39 120.51 117.96 1j5i n ALA 50 Ca 0.04 -2.10 0.05 0.00 0.00 0.00 0.00 53.44 51.43 1j5i n ALA 50 Cb 0.32 -0.77 0.16 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.13 1.38 -4.25 0.00 -0.08 -0.97 -4.58 116.55 107.92 1j5i n ASP 51 Ca 0.22 -1.95 -0.43 0.00 -1.51 0.00 0.00 54.79 51.12 1j5i n ASP 51 Cb 0.90 -0.16 -0.04 0.00 2.34 0.00 0.00 41.12 44.16 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 -1.67 3.73 -0.43 -0.67 0.08 -1.20 -2.81 117.98 115.01 1j5i s PHE 52 Ca 0.19 -2.36 0.05 0.00 0.12 0.00 0.00 56.93 54.93 1j5i s PHE 52 Cb 0.10 -3.60 0.17 0.00 -0.57 0.00 0.00 43.02 39.12 1j5i s PHE 52 CO 0.14 -0.92 0.46 -1.12 -0.10 0.00 0.00 175.22 173.67 1j5i s SER 53 N 1.45 0.54 0.35 1.36 0.01 0.25 -4.96 113.70 112.69 1j5i s SER 53 Ca 0.20 -2.17 -0.24 0.00 1.31 0.00 0.00 55.95 55.04 1j5i s SER 53 Cb -0.13 0.56 -0.14 0.00 0.21 0.00 0.00 66.02 66.52 1j5i s SER 53 CO -0.08 -0.17 0.50 -0.24 0.41 0.00 0.00 173.24 173.66 1j5i n SER 54 N 3.38 -1.13 -3.70 2.44 2.88 -1.26 -1.29 113.62 114.94 1j5i n SER 54 Ca 0.20 0.97 -0.10 0.00 -1.33 0.00 0.00 58.87 58.62 1j5i n SER 54 Cb 0.49 -1.05 -0.04 0.00 -0.75 0.00 0.00 64.21 62.87 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 -1.35 0.02 0.03 2.46 0.11 0.14 -4.72 120.40 117.10 1j5i s VAL 55 Ca 0.62 -0.68 -0.08 0.00 -2.93 0.00 0.00 61.98 58.91 1j5i s VAL 55 Cb -0.70 -1.50 -0.00 0.00 -1.53 0.00 0.00 36.38 32.65 1j5i s VAL 55 CO 0.59 -0.11 0.15 -0.89 -3.33 0.00 0.00 175.10 171.51 1j5i s THR 56 N -3.86 0.11 -0.02 5.04 2.01 -1.26 0.07 115.64 117.73 1j5i s THR 56 Ca 0.08 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.15 1j5i s THR 56 Cb -0.01 -0.80 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1j5i s THR 56 CO -0.04 -0.50 0.14 0.00 -0.69 0.00 0.00 174.62 173.53 1j5i s ALA 57 N -2.30 3.82 0.95 7.40 0.00 -0.67 -4.39 121.76 126.57 1j5i s ALA 57 Ca -0.07 -0.78 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 1j5i s ALA 57 Cb -0.03 -1.79 0.15 0.00 0.00 0.00 0.00 23.12 21.46 1j5i s ALA 57 CO -0.03 0.71 1.04 -0.25 0.00 0.00 0.00 175.76 177.23 1j5i n ASP 58 N 1.16 -0.17 -0.56 0.00 8.00 0.19 -3.94 116.55 121.23 1j5i n ASP 58 Ca -0.13 0.35 0.45 0.00 0.71 0.00 0.00 54.79 56.17 1j5i n ASP 58 Cb 0.53 -1.42 0.74 0.00 -0.02 0.00 0.00 41.12 40.95 1j5i n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j5i h ALA 59 N -1.95 3.26 -0.42 2.24 0.00 -1.86 3.68 119.26 124.22 1j5i h ALA 59 Ca -0.45 0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.26 1j5i h ALA 59 Cb 1.28 0.20 -0.13 0.00 0.00 0.00 0.00 17.79 19.14 1j5i h ALA 59 CO 0.41 -1.88 0.31 -1.71 0.00 0.00 0.00 179.25 176.38 1j5i n ASN 60 N -4.38 4.54 -4.26 0.00 2.85 -1.26 -4.58 115.26 108.17 1j5i n ASN 60 Ca 0.41 -2.80 -0.34 0.00 -0.11 0.00 0.00 54.58 51.74 1j5i n ASN 60 Cb 1.73 -0.81 -0.06 0.00 1.24 0.00 0.00 39.78 41.87 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 -0.29 3.10 8.20 0.00 1.22 -4.20 105.19 113.29 1j5i n GLY 61 Ca 0.26 0.14 -0.35 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 -3.84 5.16 -1.00 1.61 0.01 -0.98 0.20 113.70 114.86 1j5i s SER 62 Ca 0.39 -2.27 -0.08 0.00 1.31 0.00 0.00 55.95 55.29 1j5i s SER 62 Cb -0.22 -1.81 0.25 0.00 0.21 0.00 0.00 66.02 64.46 1j5i s SER 62 CO 0.96 -0.48 0.96 0.00 0.41 0.00 0.00 173.24 175.09 1j5i s ALA 63 N 0.79 4.48 -1.20 1.44 0.00 -0.08 0.54 121.76 127.73 1j5i s ALA 63 Ca 0.11 -3.73 -0.12 0.00 0.00 0.00 0.00 51.96 48.22 1j5i s ALA 63 Cb -0.22 -3.37 0.20 0.00 0.00 0.00 0.00 23.12 19.72 1j5i s ALA 63 CO -0.04 -2.20 1.40 -1.13 0.00 0.00 0.00 175.76 173.79 1j5i n SER 64 N 2.88 5.30 -4.68 0.00 3.41 -1.25 0.24 113.62 119.52 1j5i n SER 64 Ca 0.21 -3.01 -0.34 0.00 -0.26 0.00 0.00 58.87 55.47 1j5i n SER 64 Cb 0.40 -1.52 -0.09 0.00 -0.26 0.00 0.00 64.21 62.74 1j5i n SER 64 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1j5i s THR 65 N 0.80 4.24 -0.17 6.66 -1.32 -0.03 -4.91 115.64 120.91 1j5i s THR 65 Ca 0.40 -0.44 -0.09 0.00 -1.21 0.00 0.00 61.69 60.35 1j5i s THR 65 Cb -0.03 -2.84 -0.05 0.00 -1.51 0.00 0.00 72.50 68.07 1j5i s THR 65 CO -0.01 0.48 0.13 -0.94 -2.21 0.00 0.00 174.62 172.06 1j5i s SER 66 N -1.27 6.23 0.21 8.08 1.04 -1.26 0.86 113.70 127.59 1j5i s SER 66 Ca 0.17 0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.91 1j5i s SER 66 Cb -0.11 -2.07 -0.05 0.00 0.10 0.00 0.00 66.02 63.88 1j5i s SER 66 CO 0.07 0.25 0.04 -0.76 0.98 0.00 0.00 173.24 173.82 1j5i s LEU 67 N -0.08 1.93 -0.15 2.42 2.01 -0.40 -4.94 118.68 119.48 1j5i s LEU 67 Ca 0.10 -1.26 -0.05 0.00 0.01 0.00 0.00 54.13 52.93 1j5i s LEU 67 Cb -0.11 -0.04 -0.04 0.00 0.01 0.00 0.00 46.19 46.01 1j5i s LEU 67 CO -0.00 -0.63 0.02 -0.89 1.01 0.00 0.00 176.35 175.87 1j5i s THR 68 N -3.68 4.46 -1.08 5.49 2.01 -1.26 -0.29 115.64 121.29 1j5i s THR 68 Ca 0.30 -0.16 -0.16 0.00 0.31 0.00 0.00 61.69 61.97 1j5i s THR 68 Cb 0.07 -2.96 0.14 0.00 0.01 0.00 0.00 72.50 69.76 1j5i s THR 68 CO 0.08 0.52 1.31 -0.69 -0.69 0.00 0.00 174.62 175.15 1j5i s VAL 69 N -0.05 4.81 -1.32 3.82 1.01 0.38 -4.79 120.40 124.27 1j5i s VAL 69 Ca 0.04 -2.07 -0.09 0.00 0.00 0.00 0.00 61.98 59.86 1j5i s VAL 69 Cb -0.13 -4.87 0.14 0.00 0.00 0.00 0.00 36.38 31.52 1j5i s VAL 69 CO 0.02 -1.60 2.03 0.54 0.00 0.00 0.00 175.10 176.08 1j5i n ARG 70 N 6.29 3.67 -0.60 2.72 5.12 -1.26 0.23 116.66 132.83 1j5i n ARG 70 Ca 0.31 -3.36 0.45 0.00 -1.93 0.00 0.00 57.85 53.33 1j5i n ARG 70 Cb 0.46 -2.92 0.70 0.00 -1.16 0.00 0.00 32.46 29.54 1j5i n ARG 70 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1j5i n ARG 71 N 3.82 -0.00 -3.33 5.56 0.63 -1.26 -3.79 116.66 118.28 1j5i n ARG 71 Ca 0.46 0.95 -0.39 0.00 -0.92 0.00 0.00 57.85 57.95 1j5i n ARG 71 Cb 0.35 -2.16 -0.08 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 -3.92 6.40 0.00 6.15 1.04 -1.21 -0.13 113.70 122.02 1j5i s SER 72 Ca -0.05 0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.86 1j5i s SER 72 Cb 0.24 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 64.11 1j5i s SER 72 CO 0.77 -0.18 0.00 2.22 0.98 0.00 0.00 173.24 177.03 1j5i n PHE 73 N 5.04 0.00 -3.16 5.02 1.16 -0.53 -4.95 117.46 120.04 1j5i n PHE 73 Ca -0.07 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.08 1j5i n PHE 73 Cb 0.51 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.30 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 3.25 0.81 3.97 2.56 -1.25 -0.54 118.70 125.50 1j5i s GLU 74 Ca 0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 54.97 54.40 1j5i s GLU 74 Cb 0.00 -3.95 0.07 0.00 2.00 0.00 0.00 34.13 32.26 1j5i s GLU 74 CO 0.00 -0.96 1.09 0.20 -0.56 0.00 0.00 175.26 175.03 1j5i s GLY 75 N 1.95 1.63 -0.08 -1.50 0.00 0.19 -3.24 107.32 106.26 1j5i s GLY 75 Ca 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 44.72 44.82 1j5i s GLY 75 CO 0.17 0.34 0.05 -1.36 0.00 0.00 0.00 173.10 172.30 1j5i s PHE 76 N -3.06 0.31 1.02 1.90 0.40 0.60 -1.19 117.98 117.96 1j5i s PHE 76 Ca 0.61 -0.04 -0.15 0.00 -0.60 0.00 0.00 56.93 56.75 1j5i s PHE 76 Cb -0.16 -0.64 0.07 0.00 0.51 0.00 0.00 43.02 42.81 1j5i s PHE 76 CO 0.55 -0.32 0.31 1.28 0.70 0.00 0.00 175.22 177.74 1j5i n LEU 77 N 5.24 -0.89 0.09 -0.37 4.77 0.37 -0.86 117.00 125.34 1j5i n LEU 77 Ca -0.05 0.16 -0.13 0.00 -0.03 0.00 0.00 56.01 55.96 1j5i n LEU 77 Cb 0.50 -1.13 -0.07 0.00 -2.33 0.00 0.00 43.42 40.38 1j5i n LEU 77 CO 0.08 -3.39 0.12 2.19 -1.33 0.00 0.00 177.39 175.06 1j5i h PHE 78 N -1.79 0.44 -0.29 -1.77 -5.15 -1.61 -3.29 116.94 103.49 1j5i h PHE 78 Ca -0.48 -0.27 0.06 0.00 -0.20 0.00 0.00 57.97 57.08 1j5i h PHE 78 Cb 1.31 -0.04 -0.06 0.00 0.22 0.00 0.00 35.95 37.38 1j5i h PHE 78 CO 0.31 1.14 -0.11 0.22 -2.00 0.00 0.00 178.31 177.87 1j5i h ASP 79 N 0.13 -0.37 0.00 -0.68 1.82 -1.91 -3.46 116.42 111.95 1j5i h ASP 79 Ca -0.08 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1j5i h ASP 79 Cb 1.71 0.22 0.00 0.00 0.68 0.00 0.00 39.33 41.94 1j5i h ASP 79 CO 0.17 -0.14 0.00 0.61 -1.61 0.00 0.00 179.24 178.27 1j5i n GLY 80 N -1.28 0.44 3.75 -0.78 0.00 -1.24 -5.14 105.19 100.95 1j5i n GLY 80 Ca -0.00 0.00 -0.40 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 3.96 0.23 2.61 2.01 -1.26 -4.83 115.64 118.35 1j5i s THR 81 Ca 0.00 1.87 -0.23 0.00 0.31 0.00 0.00 61.69 63.64 1j5i s THR 81 Cb 0.00 -4.19 -0.09 0.00 0.01 0.00 0.00 72.50 68.23 1j5i s THR 81 CO 0.00 0.41 0.79 0.00 -0.69 0.00 0.00 174.62 175.13 1j5i s ARG 82 N -0.96 4.44 0.00 4.92 1.70 -1.26 -0.48 118.95 127.30 1j5i s ARG 82 Ca 0.44 1.07 0.00 0.00 -0.47 0.00 0.00 55.73 56.77 1j5i s ARG 82 Cb -0.28 -2.99 0.00 0.00 -0.57 0.00 0.00 34.95 31.11 1j5i s ARG 82 CO 0.34 0.43 0.00 1.87 -1.08 0.00 0.00 175.30 176.86 1j5i n TRP 83 N 0.98 0.00 0.00 5.89 -0.00 -0.34 -4.80 117.44 119.17 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 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.81 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 3.52 0.38 5.00 5.87 0.00 -0.99 -4.76 105.19 114.20 1j5i n GLY 84 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.53 114.28 115.12 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 -2.22 12.58 0.31 0.30 -4.62 118.33 124.69 1j5i n VAL 86 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 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 5.67 -1.37 4.52 1.01 -1.26 -1.45 116.67 119.79 1j5i s ASP 87 Ca 0.00 0.21 -0.13 0.00 0.71 0.00 0.00 52.55 53.34 1j5i s ASP 87 Cb 0.00 -2.54 0.09 0.00 1.01 0.00 0.00 42.92 41.48 1j5i s ASP 87 CO 0.00 -2.09 2.00 0.00 0.21 0.00 0.00 175.17 175.29 1j5i n THR 89 N 4.69 0.75 -0.01 0.00 -1.04 -1.26 -4.59 114.28 112.81 1j5i n THR 89 Ca 0.47 -0.56 -0.22 0.00 -2.04 0.00 0.00 64.05 61.71 1j5i n THR 89 Cb 0.39 -0.42 -0.13 0.00 -1.82 0.00 0.00 70.33 68.35 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 0.84 -3.37 12.58 2.02 -2.01 -3.46 112.91 119.50 1j5i h THR 90 Ca -0.30 -2.34 -0.55 0.00 0.77 0.00 0.00 66.41 64.00 1j5i h THR 90 Cb 1.60 2.53 -0.04 0.00 -1.74 0.00 0.00 68.15 70.51 1j5i h THR 90 CO 0.02 0.71 0.06 0.00 0.37 0.00 0.00 175.52 176.68 1j5i s ALA 91 N -2.49 3.52 -0.92 6.16 0.00 -1.26 -5.00 121.76 121.76 1j5i s ALA 91 Ca -0.22 0.16 -0.18 0.00 0.00 0.00 0.00 51.96 51.72 1j5i s ALA 91 Cb 0.06 -2.77 0.14 0.00 0.00 0.00 0.00 23.12 20.55 1j5i s ALA 91 CO 0.74 0.36 1.10 0.00 0.00 0.00 0.00 175.76 177.95 1j5i s ALA 92 N -1.17 3.42 0.19 0.00 0.00 -1.26 -4.86 121.76 118.08 1j5i s ALA 92 Ca 0.33 -2.81 -0.31 0.00 0.00 0.00 0.00 51.96 49.17 1j5i s ALA 92 Cb -0.21 -4.00 -0.10 0.00 0.00 0.00 0.00 23.12 18.81 1j5i s ALA 92 CO 0.22 -2.92 1.47 0.00 0.00 0.00 0.00 175.76 174.53 1j5i s GLN 94 N 0.51 3.47 -0.33 0.00 -0.21 -0.66 -1.31 119.66 121.14 1j5i s GLN 94 Ca 0.64 -0.62 -0.22 0.00 0.02 0.00 0.00 55.36 55.18 1j5i s GLN 94 Cb -0.41 -3.53 0.00 0.00 1.00 0.00 0.00 33.01 30.07 1j5i s GLN 94 CO 0.36 -0.34 0.72 0.08 -2.12 0.00 0.00 175.29 173.99 1j5i s VAL 95 N 1.63 4.83 0.12 1.09 1.01 -0.02 -0.40 120.40 128.65 1j5i s VAL 95 Ca 0.05 0.94 -0.26 0.00 0.00 0.00 0.00 61.98 62.72 1j5i s VAL 95 Cb -0.17 -4.11 0.08 0.00 0.00 0.00 0.00 36.38 32.18 1j5i s VAL 95 CO 0.06 -0.27 1.07 -0.83 0.00 0.00 0.00 175.10 175.13 1j5i s GLY 96 N 1.70 -0.18 -0.13 4.51 0.00 -0.05 -1.42 107.32 111.76 1j5i s GLY 96 Ca 0.29 0.13 -0.03 0.00 0.00 0.00 0.00 44.72 45.10 1j5i s GLY 96 CO 0.14 0.92 0.00 0.48 0.00 0.00 0.00 173.10 174.63 1j5i s LEU 97 N -3.11 3.52 0.38 0.66 -0.00 -1.26 -0.04 118.68 118.83 1j5i s LEU 97 Ca 0.16 0.05 0.07 0.00 -0.00 0.00 0.00 54.13 54.41 1j5i s LEU 97 Cb -0.00 -1.83 -0.02 0.00 -0.00 0.00 0.00 46.19 44.34 1j5i s LEU 97 CO 0.02 0.27 0.39 -0.94 -0.00 0.00 0.00 176.35 176.09 1j5i s SER 98 N -0.25 5.35 0.90 1.48 1.04 -0.24 -4.64 113.70 117.34 1j5i s SER 98 Ca 0.06 -0.53 -0.11 0.00 0.48 0.00 0.00 55.95 55.85 1j5i s SER 98 Cb -0.12 -0.82 0.13 0.00 0.10 0.00 0.00 66.02 65.31 1j5i s SER 98 CO 0.02 -0.53 1.11 -1.81 0.98 0.00 0.00 173.24 173.01 1j5i s ASP 99 N -4.12 3.23 0.00 7.02 -0.00 0.24 -1.85 116.67 121.19 1j5i s ASP 99 Ca 0.46 1.94 0.30 0.00 -0.00 0.00 0.00 52.55 55.25 1j5i s ASP 99 Cb -0.06 -2.48 1.61 0.00 -0.00 0.00 0.00 42.92 41.99 1j5i s ASP 99 CO 0.29 -2.86 2.08 0.00 -0.00 0.00 0.00 175.17 174.68 1j5i n ALA 100 N -4.06 2.52 0.68 5.23 0.00 -1.26 -2.61 120.51 121.01 1j5i n ALA 100 Ca 0.10 -0.16 0.13 0.00 0.00 0.00 0.00 53.44 53.51 1j5i n ALA 100 Cb 0.53 -1.49 0.43 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.19 2.31 -0.22 0.00 0.00 -1.26 -4.89 120.51 115.26 1j5i n ALA 101 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1j5i n ALA 101 Cb 0.19 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 1.34 1.66 3.27 0.00 0.00 -1.07 -5.10 105.19 105.29 1j5i n GLY 102 Ca 0.06 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 1j5i n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j5i s ASN 103 N -2.12 -0.04 0.00 1.61 4.22 -1.25 -5.00 114.94 112.36 1j5i s ASN 103 Ca 0.00 -0.53 0.00 0.00 -2.14 0.00 0.00 52.86 50.19 1j5i s ASN 103 Cb 0.00 0.41 0.00 0.00 1.28 0.00 0.00 41.25 42.94 1j5i s ASN 103 CO 0.00 -0.81 0.00 0.61 -2.04 0.00 0.00 177.10 174.86 1j5i n GLY 104 N -0.15 2.74 0.00 0.45 0.00 -1.26 0.80 105.19 107.77 1j5i n GLY 104 Ca -0.15 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 45.93 1j5i n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j5i n PRO 105 N 0.00 0.34 -1.68 1.61 -0.04 -1.26 -4.74 135.00 129.23 1j5i n PRO 105 Ca 0.00 0.07 -0.50 0.00 -0.04 0.00 0.00 63.50 63.03 1j5i n PRO 105 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 1j5i n PRO 105 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1j5i n GLU 106 N -1.27 2.03 -3.65 0.54 2.13 -1.26 -4.91 120.64 114.26 1j5i n GLU 106 Ca 0.11 0.75 -0.01 0.00 0.66 0.00 0.00 57.16 58.67 1j5i n GLU 106 Cb 0.18 -2.57 -0.07 0.00 0.27 0.00 0.00 31.44 29.25 1j5i n GLU 106 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1j5i s GLY 107 N 3.88 0.48 -0.28 8.31 0.00 -1.26 -4.20 107.32 114.25 1j5i s GLY 107 Ca 0.93 3.68 -0.09 0.00 0.00 0.00 0.00 44.72 49.24 1j5i s GLY 107 CO 0.53 2.22 0.13 0.54 0.00 0.00 0.00 173.10 176.52 1j5i s VAL 108 N 0.34 4.67 -0.74 1.40 0.11 -0.51 -4.76 120.40 120.91 1j5i s VAL 108 Ca 0.03 -0.18 -0.25 0.00 -2.93 0.00 0.00 61.98 58.64 1j5i s VAL 108 Cb -0.04 -3.27 -0.14 0.00 -1.53 0.00 0.00 36.38 31.40 1j5i s VAL 108 CO -0.14 0.21 2.41 0.00 -3.33 0.00 0.00 175.10 174.25 1j5i n ALA 109 N 4.98 0.45 -2.41 1.54 0.00 -1.26 -0.84 120.51 122.97 1j5i n ALA 109 Ca -0.15 -1.27 -0.39 0.00 0.00 0.00 0.00 53.44 51.63 1j5i n ALA 109 Cb 0.51 -3.22 -0.06 0.00 0.00 0.00 0.00 19.45 16.67 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 13.69 4.85 0.00 0.00 -1.16 -0.43 -4.49 121.20 133.66 1j5i s ILE 110 Ca 0.96 1.24 0.00 0.00 -0.51 0.00 0.00 60.65 62.34 1j5i s ILE 110 Cb -0.18 -3.92 0.00 0.00 0.61 0.00 0.00 42.46 38.96 1j5i s ILE 110 CO 0.14 0.46 0.00 -0.24 -2.81 0.00 0.00 174.94 172.49 1j5i n SER 111 N 2.40 0.00 -1.32 4.50 2.88 -0.75 -4.20 113.62 117.13 1j5i n SER 111 Ca -0.08 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.45 1j5i n SER 111 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1j5i n SER 111 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1j5i n PHE 112 N 0.00 -0.10 1.47 0.66 -0.00 -1.07 0.23 117.46 118.65 1j5i n PHE 112 Ca 0.00 0.04 0.14 0.00 -0.00 0.00 0.00 57.45 57.63 1j5i n PHE 112 Cb 0.00 -0.31 0.50 0.00 -0.00 0.00 0.00 39.48 39.67 1j5i n PHE 112 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05