#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 -0.69 0.99 0.00 0.00 -1.26 -5.17 121.76 115.64 1j5i s ALA 2 Ca 0.00 0.94 -0.15 0.00 0.00 0.00 0.00 51.96 52.75 1j5i s ALA 2 Cb 0.00 -0.57 0.19 0.00 0.00 0.00 0.00 23.12 22.74 1j5i s ALA 2 CO 0.00 -0.17 1.18 -1.25 0.00 0.00 0.00 175.76 175.52 1j5i s PRO 3 N 0.66 0.45 0.39 0.00 0.04 -1.26 -4.76 135.00 130.51 1j5i s PRO 3 Ca -0.04 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.02 1j5i s PRO 3 Cb -0.05 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1j5i s PRO 3 CO -0.04 -2.62 0.00 0.25 0.04 0.00 0.00 177.00 174.63 1j5i n THR 4 N -4.00 0.00 -1.91 1.26 -2.24 -0.66 -4.21 114.28 102.52 1j5i n THR 4 Ca 0.10 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.46 1j5i n THR 4 Cb 0.59 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.80 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 -1.18 3.31 -0.00 6.98 0.00 -1.18 -3.27 121.76 126.42 1j5i s ALA 5 Ca 0.00 0.81 -0.02 0.00 0.00 0.00 0.00 51.96 52.74 1j5i s ALA 5 Cb 0.00 -3.87 -0.00 0.00 0.00 0.00 0.00 23.12 19.25 1j5i s ALA 5 CO 0.00 -1.90 0.04 0.95 0.00 0.00 0.00 175.76 174.85 1j5i s THR 6 N 5.34 0.05 -0.20 0.00 -4.23 -0.00 -3.83 115.64 112.78 1j5i s THR 6 Ca 0.81 -0.45 -0.22 0.00 -1.18 0.00 0.00 61.69 60.65 1j5i s THR 6 Cb -0.32 -0.22 -0.02 0.00 1.34 0.00 0.00 72.50 73.28 1j5i s THR 6 CO 0.33 -0.25 0.68 -0.69 -0.54 0.00 0.00 174.62 174.15 1j5i s VAL 7 N -0.76 4.98 0.00 2.29 1.01 -1.26 -1.36 120.40 125.30 1j5i s VAL 7 Ca -0.08 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1j5i s VAL 7 Cb -0.05 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1j5i s VAL 7 CO 0.00 0.07 0.87 0.41 0.00 0.00 0.00 175.10 176.45 1j5i n THR 8 N 4.82 0.00 0.00 3.92 -1.04 -0.74 -4.54 114.28 116.69 1j5i n THR 8 Ca 0.00 1.31 0.00 0.00 -2.04 0.00 0.00 64.05 63.32 1j5i n THR 8 Cb 0.49 -1.74 0.00 0.00 -1.82 0.00 0.00 70.33 67.26 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 -2.86 2.26 -0.09 -2.82 -0.04 -1.26 -5.02 135.00 125.18 1j5i n PRO 9 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 1j5i n PRO 9 Cb 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.33 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 0.00 1.09 -0.43 3.54 3.41 -1.26 -5.00 113.62 114.97 1j5i n SER 10 Ca 0.00 -0.02 0.06 0.00 -0.26 0.00 0.00 58.87 58.64 1j5i n SER 10 Cb 0.00 0.67 -0.01 0.00 -0.26 0.00 0.00 64.21 64.60 1j5i n SER 10 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1j5i n SER 11 N -2.73 -2.58 0.00 4.04 7.64 -1.26 -1.87 113.62 116.85 1j5i n SER 11 Ca -0.30 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1j5i n SER 11 Cb 1.03 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 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 -1.51 1.53 0.32 0.23 0.00 -1.24 -1.12 105.19 103.39 1j5i n GLY 12 Ca 0.00 -0.20 0.21 0.00 0.00 0.00 0.00 46.02 46.03 1j5i n GLY 12 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1j5i h LEU 13 N 0.00 0.00 -6.77 0.99 8.10 0.57 -3.35 115.31 114.86 1j5i h LEU 13 Ca 0.00 0.00 -0.54 0.00 0.11 0.00 0.00 57.88 57.45 1j5i h LEU 13 Cb 0.00 0.00 -0.40 0.00 -0.44 0.00 0.00 40.66 39.82 1j5i h LEU 13 CO 0.00 0.00 -0.79 -0.55 -4.11 0.00 0.00 178.44 172.99 1j5i s SER 14 N -5.35 3.46 -0.54 0.17 0.15 -1.26 -5.08 113.70 105.25 1j5i s SER 14 Ca -0.03 -1.48 -0.28 0.00 0.70 0.00 0.00 55.95 54.86 1j5i s SER 14 Cb 0.12 -0.39 -0.10 0.00 -1.71 0.00 0.00 66.02 63.94 1j5i s SER 14 CO 0.46 -0.41 2.43 -0.90 1.20 0.00 0.00 173.24 176.01 1j5i n ASP 15 N 5.00 1.99 0.00 5.45 5.75 -1.26 -0.98 116.55 132.50 1j5i n ASP 15 Ca -0.02 -0.19 0.00 0.00 -0.01 0.00 0.00 54.79 54.56 1j5i n ASP 15 Cb 0.41 -1.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.09 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 6.15 1.76 3.58 6.12 0.00 0.56 -4.77 105.19 118.59 1j5i n GLY 16 Ca 0.43 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.76 4.17 -0.21 2.61 2.01 -0.16 -4.68 115.64 117.63 1j5i s THR 17 Ca 0.00 0.99 -0.29 0.00 0.31 0.00 0.00 61.69 62.70 1j5i s THR 17 Cb 0.00 -4.63 -0.01 0.00 0.01 0.00 0.00 72.50 67.87 1j5i s THR 17 CO 0.00 -1.13 1.26 -0.69 -0.69 0.00 0.00 174.62 173.36 1j5i s VAL 18 N 4.56 4.27 0.29 3.82 1.01 -1.26 -0.53 120.40 132.56 1j5i s VAL 18 Ca 0.44 1.52 0.06 0.00 0.00 0.00 0.00 61.98 64.00 1j5i s VAL 18 Cb -0.08 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1j5i s VAL 18 CO 0.28 -0.23 0.22 1.33 0.00 0.00 0.00 175.10 176.70 1j5i n VAL 19 N 5.60 0.00 -4.66 2.92 0.24 0.08 -4.98 118.33 117.53 1j5i n VAL 19 Ca 0.14 -2.04 -0.33 0.00 -2.04 0.00 0.00 64.34 60.07 1j5i n VAL 19 Cb 0.45 0.98 -0.14 0.00 -1.47 0.00 0.00 33.84 33.66 1j5i n VAL 19 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1j5i s LYS 20 N -3.16 3.39 -0.50 7.34 2.20 -1.26 -1.47 119.74 126.28 1j5i s LYS 20 Ca 0.31 -0.67 -0.12 0.00 -0.36 0.00 0.00 55.97 55.13 1j5i s LYS 20 Cb 0.02 -2.68 0.12 0.00 -1.51 0.00 0.00 37.83 33.77 1j5i s LYS 20 CO 0.22 0.17 0.41 0.08 -0.36 0.00 0.00 175.35 175.87 1j5i s VAL 21 N 0.47 4.65 -0.26 4.02 1.01 0.19 -1.79 120.40 128.71 1j5i s VAL 21 Ca -0.09 -1.64 -0.21 0.00 0.00 0.00 0.00 61.98 60.04 1j5i s VAL 21 Cb -0.16 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1j5i s VAL 21 CO 0.04 -0.81 0.65 0.00 0.00 0.00 0.00 175.10 174.99 1j5i s ALA 22 N 1.47 3.60 -0.88 5.51 0.00 -0.47 -0.75 121.76 130.26 1j5i s ALA 22 Ca 0.04 -0.43 -0.02 0.00 0.00 0.00 0.00 51.96 51.55 1j5i s ALA 22 Cb -0.28 -3.07 0.22 0.00 0.00 0.00 0.00 23.12 19.99 1j5i s ALA 22 CO 0.01 -0.86 0.76 0.20 0.00 0.00 0.00 175.76 175.87 1j5i s GLY 23 N 1.48 3.02 -0.15 0.00 0.00 0.13 -0.82 107.32 110.98 1j5i s GLY 23 Ca 0.27 -3.78 -0.28 0.00 0.00 0.00 0.00 44.72 40.93 1j5i s GLY 23 CO 0.09 1.19 0.97 0.00 0.00 0.00 0.00 173.10 175.35 1j5i s ALA 24 N -1.21 3.49 -1.48 3.20 0.00 -1.20 0.32 121.76 124.87 1j5i s ALA 24 Ca 0.26 0.25 -0.08 0.00 0.00 0.00 0.00 51.96 52.39 1j5i s ALA 24 Cb -0.08 -3.40 0.06 0.00 0.00 0.00 0.00 23.12 19.69 1j5i s ALA 24 CO -0.11 -0.71 0.71 0.41 0.00 0.00 0.00 175.76 176.06 1j5i n GLY 25 N 3.23 -0.36 0.00 0.00 0.00 0.67 -1.65 105.19 107.09 1j5i n GLY 25 Ca 0.08 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.45 0.45 -0.20 0.99 0.00 -0.71 -4.55 117.00 108.53 1j5i n LEU 26 Ca -0.13 0.00 0.04 0.00 0.00 0.00 0.00 56.01 55.92 1j5i n LEU 26 Cb 0.60 0.00 0.18 0.00 0.00 0.00 0.00 43.42 44.20 1j5i n LEU 26 CO 0.76 0.00 0.63 0.00 0.00 0.00 0.00 177.39 178.78 1j5i n GLN 27 N -0.22 1.25 0.00 1.96 1.13 -1.26 -4.83 117.38 115.41 1j5i n GLN 27 Ca 0.00 -0.39 0.00 0.00 -1.94 0.00 0.00 57.00 54.67 1j5i n GLN 27 Cb 0.00 -1.16 0.00 0.00 0.11 0.00 0.00 30.24 29.19 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 -0.25 0.00 0.00 -1.58 0.00 -1.26 -1.93 120.51 115.49 1j5i n ALA 28 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1j5i n ALA 28 Cb 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.99 0.30 0.00 0.00 0.00 -1.25 -1.76 105.19 100.49 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 -3.71 2.61 -1.04 -0.81 -3.09 114.28 108.24 1j5i n THR 30 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 1j5i n THR 30 Cb 0.00 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.35 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 -2.11 0.93 0.33 2.41 0.00 -1.26 -1.62 121.76 120.44 1j5i s ALA 31 Ca 0.00 -0.72 0.10 0.00 0.00 0.00 0.00 51.96 51.34 1j5i s ALA 31 Cb 0.00 -1.20 -0.06 0.00 0.00 0.00 0.00 23.12 21.86 1j5i s ALA 31 CO 0.00 -1.23 -0.11 0.71 0.00 0.00 0.00 175.76 175.13 1j5i s TYR 32 N 1.90 2.35 -0.39 0.00 1.51 -0.16 -4.74 117.35 117.82 1j5i s TYR 32 Ca 0.01 -0.49 -0.22 0.00 -1.01 0.00 0.00 57.07 55.36 1j5i s TYR 32 Cb -0.17 -1.29 0.01 0.00 -0.11 0.00 0.00 41.96 40.40 1j5i s TYR 32 CO -0.10 0.58 0.74 -0.51 -1.11 0.00 0.00 175.55 175.15 1j5i s ASP 33 N -3.58 6.47 0.25 2.29 -0.00 0.60 -1.07 116.67 121.62 1j5i s ASP 33 Ca 0.32 0.13 -0.30 0.00 -0.00 0.00 0.00 52.55 52.70 1j5i s ASP 33 Cb 0.01 -2.37 -0.09 0.00 -0.00 0.00 0.00 42.92 40.47 1j5i s ASP 33 CO 0.16 -0.75 0.96 -0.69 -0.00 0.00 0.00 175.17 174.85 1j5i s VAL 34 N 3.03 4.00 0.00 -1.27 1.01 -0.06 0.02 120.40 127.12 1j5i s VAL 34 Ca 0.29 1.99 0.00 0.00 0.00 0.00 0.00 61.98 64.25 1j5i s VAL 34 Cb -0.13 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.00 1j5i s VAL 34 CO 0.18 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.34 1j5i n GLY 35 N 1.38 2.42 3.42 4.51 0.00 0.60 -0.19 105.19 117.33 1j5i n GLY 35 Ca -0.02 -0.86 -0.44 0.00 0.00 0.00 0.00 46.02 44.70 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 3.09 0.17 1.61 -2.07 -1.26 -1.23 119.66 117.98 1j5i s GLN 36 Ca 0.00 -1.06 0.06 0.00 -1.82 0.00 0.00 55.36 52.54 1j5i s GLN 36 Cb 0.00 -4.19 -0.04 0.00 -1.09 0.00 0.00 33.01 27.69 1j5i s GLN 36 CO 0.00 -1.47 0.07 0.00 -1.32 0.00 0.00 175.29 172.57 1j5i s ALA 38 N -1.73 -2.41 -0.42 0.00 0.00 -0.69 -1.52 121.76 115.01 1j5i s ALA 38 Ca 0.29 1.00 -0.29 0.00 0.00 0.00 0.00 51.96 52.96 1j5i s ALA 38 Cb -0.10 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1j5i s ALA 38 CO 0.21 -1.00 1.28 1.67 0.00 0.00 0.00 175.76 177.92 1j5i s TRP 39 N -2.13 2.63 -0.25 0.00 -2.14 -1.26 0.77 118.94 116.56 1j5i s TRP 39 Ca 0.14 0.75 -0.12 0.00 2.66 0.00 0.00 56.10 59.53 1j5i s TRP 39 Cb 0.06 -4.27 -0.15 0.00 -3.10 0.00 0.00 33.47 26.01 1j5i s TRP 39 CO -0.06 -1.62 -0.17 1.55 -2.66 0.00 0.00 176.95 173.99 1j5i n VAL 40 N 6.80 1.54 -1.88 -0.66 3.14 -0.51 -4.63 118.33 122.13 1j5i n VAL 40 Ca 0.14 -0.37 -0.06 0.00 -2.96 0.00 0.00 64.34 61.10 1j5i n VAL 40 Cb 0.48 -1.82 0.03 0.00 -1.06 0.00 0.00 33.84 31.47 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 -4.06 0.19 -4.54 6.55 -0.08 -1.17 -4.87 116.55 108.57 1j5i n ASP 41 Ca -0.47 -1.19 -0.15 0.00 -1.51 0.00 0.00 54.79 51.47 1j5i n ASP 41 Cb 0.88 -0.17 -0.11 0.00 2.34 0.00 0.00 41.12 44.06 1j5i n ASP 41 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1j5i n THR 42 N -1.98 0.00 -1.57 5.18 -1.04 -1.26 -1.94 114.28 111.68 1j5i n THR 42 Ca 0.04 -0.47 -0.17 0.00 -2.04 0.00 0.00 64.05 61.41 1j5i n THR 42 Cb 0.13 -1.53 -0.07 0.00 -1.82 0.00 0.00 70.33 67.05 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 6.44 1.43 3.55 3.41 0.00 -1.26 -4.91 105.19 113.85 1j5i n GLY 43 Ca 0.50 0.00 -0.41 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 -2.46 5.15 -0.39 1.61 1.01 -0.82 -4.99 120.40 119.52 1j5i s VAL 44 Ca 0.00 0.11 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 1j5i s VAL 44 Cb 0.00 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1j5i s VAL 44 CO 0.00 -0.09 1.90 -0.76 0.00 0.00 0.00 175.10 176.15 1j5i s LEU 45 N 2.07 3.45 -0.06 3.92 1.43 -1.26 -1.43 118.68 126.80 1j5i s LEU 45 Ca 0.13 1.14 0.06 0.00 -1.03 0.00 0.00 54.13 54.43 1j5i s LEU 45 Cb -0.16 -3.23 -0.01 0.00 0.03 0.00 0.00 46.19 42.82 1j5i s LEU 45 CO 0.12 -1.97 -0.24 0.00 0.23 0.00 0.00 176.35 174.49 1j5i s ALA 46 N 7.90 2.12 0.27 4.21 0.00 0.23 -0.09 121.76 136.41 1j5i s ALA 46 Ca 0.81 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1j5i s ALA 46 Cb -0.21 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 1j5i s ALA 46 CO 0.30 0.39 0.46 0.00 0.00 0.00 0.00 175.76 176.92 1j5i s ASN 48 N -3.65 5.06 0.31 0.00 0.02 -1.10 0.06 114.94 115.64 1j5i s ASN 48 Ca 0.39 0.68 0.26 0.00 -1.02 0.00 0.00 52.86 53.17 1j5i s ASN 48 Cb -0.10 -1.42 0.89 0.00 0.02 0.00 0.00 41.25 40.65 1j5i s ASN 48 CO 0.32 -1.47 1.76 1.55 0.02 0.00 0.00 177.10 179.28 1j5i h PRO 49 N -0.58 0.00 -0.52 -0.60 0.13 -1.88 -2.51 132.00 126.03 1j5i h PRO 49 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1j5i h PRO 49 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 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 -1.87 2.54 -0.00 -0.56 0.00 -1.26 -4.25 120.51 115.10 1j5i n ALA 50 Ca 0.03 -1.42 0.07 0.00 0.00 0.00 0.00 53.44 52.12 1j5i n ALA 50 Cb 0.35 -0.74 0.26 0.00 0.00 0.00 0.00 19.45 19.32 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 0.88 3.58 -4.17 0.00 2.03 -0.95 -4.57 116.55 113.34 1j5i n ASP 51 Ca 0.20 -2.33 -0.40 0.00 0.52 0.00 0.00 54.79 52.78 1j5i n ASP 51 Cb 0.64 -0.49 -0.08 0.00 -0.72 0.00 0.00 41.12 40.47 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 -1.78 3.50 -0.45 -0.67 0.08 -1.21 -3.14 117.98 114.32 1j5i s PHE 52 Ca 0.37 -2.32 0.05 0.00 0.12 0.00 0.00 56.93 55.15 1j5i s PHE 52 Cb 0.24 -3.40 0.18 0.00 -0.57 0.00 0.00 43.02 39.46 1j5i s PHE 52 CO 0.17 -0.93 0.50 -1.12 -0.10 0.00 0.00 175.22 173.75 1j5i s SER 53 N 1.63 0.19 0.03 1.36 0.01 0.74 -4.97 113.70 112.69 1j5i s SER 53 Ca 0.13 -2.27 -0.34 0.00 1.31 0.00 0.00 55.95 54.78 1j5i s SER 53 Cb -0.20 0.68 -0.13 0.00 0.21 0.00 0.00 66.02 66.58 1j5i s SER 53 CO -0.04 -0.14 1.75 -1.54 0.41 0.00 0.00 173.24 173.68 1j5i n SER 54 N 3.14 3.32 -3.80 2.44 3.41 -1.26 -0.89 113.62 119.98 1j5i n SER 54 Ca 0.22 1.02 -0.10 0.00 -0.26 0.00 0.00 58.87 59.75 1j5i n SER 54 Cb 0.51 -1.40 -0.07 0.00 -0.26 0.00 0.00 64.21 62.99 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 2.65 0.12 0.26 -3.33 0.11 -0.24 -4.86 120.40 115.10 1j5i s VAL 55 Ca 0.86 -0.96 0.09 0.00 -2.93 0.00 0.00 61.98 59.04 1j5i s VAL 55 Cb -0.68 -1.21 -0.05 0.00 -1.53 0.00 0.00 36.38 32.92 1j5i s VAL 55 CO 0.45 -0.53 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.66 1j5i s THR 56 N -3.53 1.97 0.05 5.04 2.01 -1.26 -0.99 115.64 118.93 1j5i s THR 56 Ca 0.02 -2.25 0.01 0.00 0.31 0.00 0.00 61.69 59.79 1j5i s THR 56 Cb 0.03 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1j5i s THR 56 CO -0.09 -0.44 0.11 0.00 -0.69 0.00 0.00 174.62 173.51 1j5i s ALA 57 N -2.82 3.68 0.91 7.40 0.00 -0.64 -4.43 121.76 125.86 1j5i s ALA 57 Ca 0.27 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 1j5i s ALA 57 Cb -0.01 -1.57 0.14 0.00 0.00 0.00 0.00 23.12 21.69 1j5i s ALA 57 CO 0.11 0.75 1.11 -0.51 0.00 0.00 0.00 175.76 177.23 1j5i s ASP 58 N -2.26 3.09 0.42 0.00 1.01 0.12 -4.10 116.67 114.95 1j5i s ASP 58 Ca 0.29 1.93 0.31 0.00 0.71 0.00 0.00 52.55 55.80 1j5i s ASP 58 Cb -0.12 -2.47 1.43 0.00 1.01 0.00 0.00 42.92 42.76 1j5i s ASP 58 CO 0.21 -2.95 1.49 0.00 0.21 0.00 0.00 175.17 174.13 1j5i n ALA 59 N -4.12 1.32 -0.61 5.23 0.00 -1.26 0.39 120.51 121.45 1j5i n ALA 59 Ca 0.09 0.83 -0.14 0.00 0.00 0.00 0.00 53.44 54.22 1j5i n ALA 59 Cb 0.53 -1.01 0.05 0.00 0.00 0.00 0.00 19.45 19.01 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 -4.60 5.52 -4.46 0.00 2.85 -1.26 -4.62 115.26 108.68 1j5i n ASN 60 Ca 0.39 -2.91 -0.41 0.00 -0.11 0.00 0.00 54.58 51.54 1j5i n ASN 60 Cb 1.51 -0.95 -0.07 0.00 1.24 0.00 0.00 39.78 41.51 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 0.28 -0.38 3.20 8.20 0.00 1.25 -3.33 105.19 114.40 1j5i n GLY 61 Ca 0.27 0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.37 5.74 -0.74 1.61 0.01 -0.99 0.24 113.70 116.21 1j5i s SER 62 Ca 0.74 -2.25 -0.10 0.00 1.31 0.00 0.00 55.95 55.65 1j5i s SER 62 Cb -0.43 -2.00 0.19 0.00 0.21 0.00 0.00 66.02 64.00 1j5i s SER 62 CO 1.01 -0.60 0.63 0.00 0.41 0.00 0.00 173.24 174.69 1j5i s ALA 63 N 0.84 3.88 -1.05 1.44 0.00 0.15 0.14 121.76 127.16 1j5i s ALA 63 Ca 0.10 -3.26 -0.13 0.00 0.00 0.00 0.00 51.96 48.68 1j5i s ALA 63 Cb -0.22 -3.19 0.21 0.00 0.00 0.00 0.00 23.12 19.92 1j5i s ALA 63 CO -0.03 -2.20 1.14 -1.54 0.00 0.00 0.00 175.76 173.13 1j5i s SER 64 N 1.69 7.03 -0.13 0.00 1.04 -1.26 0.19 113.70 122.27 1j5i s SER 64 Ca 0.17 -2.99 -0.03 0.00 0.48 0.00 0.00 55.95 53.58 1j5i s SER 64 Cb -0.15 -2.29 -0.03 0.00 0.10 0.00 0.00 66.02 63.65 1j5i s SER 64 CO -0.06 -0.60 -0.03 0.28 0.98 0.00 0.00 173.24 173.81 1j5i s THR 65 N 0.47 4.01 -0.12 2.02 -1.32 0.07 -4.88 115.64 115.89 1j5i s THR 65 Ca 0.32 -0.33 -0.06 0.00 -1.21 0.00 0.00 61.69 60.40 1j5i s THR 65 Cb -0.07 -2.73 -0.04 0.00 -1.51 0.00 0.00 72.50 68.15 1j5i s THR 65 CO -0.06 0.53 0.12 -0.94 -2.21 0.00 0.00 174.62 172.06 1j5i s SER 66 N -0.12 6.21 0.35 8.08 1.04 -1.26 0.57 113.70 128.57 1j5i s SER 66 Ca 0.03 0.41 -0.13 0.00 0.48 0.00 0.00 55.95 56.74 1j5i s SER 66 Cb -0.13 -1.99 0.03 0.00 0.10 0.00 0.00 66.02 64.04 1j5i s SER 66 CO 0.02 0.39 0.67 -0.22 0.98 0.00 0.00 173.24 175.09 1j5i s LEU 67 N -0.94 0.26 -0.15 2.42 0.20 -0.54 -4.93 118.68 114.99 1j5i s LEU 67 Ca 0.14 -1.15 -0.05 0.00 0.69 0.00 0.00 54.13 53.76 1j5i s LEU 67 Cb -0.12 2.39 -0.04 0.00 -0.43 0.00 0.00 46.19 48.00 1j5i s LEU 67 CO 0.03 -1.51 0.04 0.28 -0.29 0.00 0.00 176.35 174.91 1j5i s THR 68 N -2.83 4.59 -1.05 3.68 -1.32 -1.26 -0.74 115.64 116.71 1j5i s THR 68 Ca 0.19 -0.12 -0.16 0.00 -1.21 0.00 0.00 61.69 60.39 1j5i s THR 68 Cb -0.04 -3.02 0.15 0.00 -1.51 0.00 0.00 72.50 68.09 1j5i s THR 68 CO 0.13 0.52 1.24 -0.69 -2.21 0.00 0.00 174.62 173.61 1j5i s VAL 69 N -0.11 4.90 -1.18 5.08 1.01 0.31 -4.81 120.40 125.61 1j5i s VAL 69 Ca 0.06 -2.08 -0.11 0.00 0.00 0.00 0.00 61.98 59.85 1j5i s VAL 69 Cb -0.12 -4.82 0.22 0.00 0.00 0.00 0.00 36.38 31.65 1j5i s VAL 69 CO 0.01 -1.53 1.37 0.54 0.00 0.00 0.00 175.10 175.49 1j5i n ARG 70 N 6.03 3.52 -0.34 2.72 5.12 -1.26 -0.32 116.66 132.13 1j5i n ARG 70 Ca 0.29 -4.07 0.21 0.00 -1.93 0.00 0.00 57.85 52.35 1j5i n ARG 70 Cb 0.46 -2.83 0.46 0.00 -1.16 0.00 0.00 32.46 29.39 1j5i n ARG 70 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1j5i h ARG 71 N 6.74 0.45 -6.05 5.56 1.12 -1.85 -3.38 114.38 116.96 1j5i h ARG 71 Ca 0.27 -0.03 -0.56 0.00 -1.11 0.00 0.00 59.98 58.56 1j5i h ARG 71 Cb 0.83 -0.10 -0.05 0.00 -0.01 0.00 0.00 29.97 30.64 1j5i h ARG 71 CO 1.21 0.30 0.10 -1.54 -3.11 0.00 0.00 179.97 176.92 1j5i s SER 72 N -5.22 7.01 0.00 -3.80 1.04 -1.26 -1.23 113.70 110.24 1j5i s SER 72 Ca -0.09 1.21 0.00 0.00 0.48 0.00 0.00 55.95 57.55 1j5i s SER 72 Cb 0.26 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.96 1j5i s SER 72 CO 0.80 -0.12 0.00 0.49 0.98 0.00 0.00 173.24 175.39 1j5i n PHE 73 N 3.75 0.00 -2.66 5.02 3.72 0.65 -4.89 117.46 123.05 1j5i n PHE 73 Ca -0.01 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.96 1j5i n PHE 73 Cb 0.51 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 3.92 0.64 -1.08 2.12 -1.24 -0.28 118.70 120.78 1j5i s GLU 74 Ca 0.00 0.83 -0.05 0.00 0.36 0.00 0.00 54.97 56.11 1j5i s GLU 74 Cb 0.00 -3.80 0.04 0.00 0.26 0.00 0.00 34.13 30.63 1j5i s GLU 74 CO 0.00 -1.05 0.93 0.20 -0.54 0.00 0.00 175.26 174.80 1j5i s GLY 75 N 1.93 1.68 -0.03 -1.50 0.00 0.12 -2.97 107.32 106.55 1j5i s GLY 75 Ca 0.45 -0.92 -0.01 0.00 0.00 0.00 0.00 44.72 44.24 1j5i s GLY 75 CO 0.21 -0.57 0.06 -1.36 0.00 0.00 0.00 173.10 171.44 1j5i s PHE 76 N -3.07 -0.03 0.82 1.90 0.40 0.11 -1.12 117.98 116.98 1j5i s PHE 76 Ca 0.57 0.24 -0.13 0.00 -0.60 0.00 0.00 56.93 57.01 1j5i s PHE 76 Cb -0.11 -0.20 0.09 0.00 0.51 0.00 0.00 43.02 43.32 1j5i s PHE 76 CO 0.44 -0.11 1.19 -0.51 0.70 0.00 0.00 175.22 176.92 1j5i s LEU 77 N 1.11 3.10 0.38 -0.37 2.01 0.96 -0.33 118.68 125.55 1j5i s LEU 77 Ca -0.09 2.30 0.23 0.00 0.01 0.00 0.00 54.13 56.58 1j5i s LEU 77 Cb -0.13 -4.58 0.25 0.00 0.01 0.00 0.00 46.19 41.74 1j5i s LEU 77 CO -0.04 -2.67 1.47 0.15 1.01 0.00 0.00 176.35 176.27 1j5i h PHE 78 N -1.02 0.00 0.18 0.29 3.57 -0.73 -3.32 116.94 115.91 1j5i h PHE 78 Ca -0.46 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.04 1j5i h PHE 78 Cb 1.29 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.03 1j5i h PHE 78 CO 0.48 0.01 -0.09 0.22 -2.23 0.00 0.00 178.31 176.71 1j5i h ASP 79 N 0.00 -0.20 0.00 0.41 1.82 -1.91 -3.47 116.42 113.07 1j5i h ASP 79 Ca -0.00 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1j5i h ASP 79 Cb 1.01 0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.07 1j5i h ASP 79 CO 0.00 -0.09 0.00 0.61 -1.61 0.00 0.00 179.24 178.16 1j5i n GLY 80 N -1.01 0.29 3.90 -0.78 0.00 -1.25 -5.15 105.19 101.19 1j5i n GLY 80 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 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 4.48 0.09 2.61 -1.32 -1.26 -4.89 115.64 115.34 1j5i s THR 81 Ca 0.00 0.36 0.02 0.00 -1.21 0.00 0.00 61.69 60.86 1j5i s THR 81 Cb 0.00 -3.75 -0.04 0.00 -1.51 0.00 0.00 72.50 67.20 1j5i s THR 81 CO 0.00 -0.83 0.12 0.00 -2.21 0.00 0.00 174.62 171.71 1j5i s ARG 82 N -4.96 3.04 0.00 7.08 3.03 -1.26 -0.03 118.95 125.86 1j5i s ARG 82 Ca 0.52 -0.64 0.00 0.00 2.03 0.00 0.00 55.73 57.63 1j5i s ARG 82 Cb -0.11 -2.81 0.00 0.00 -1.03 0.00 0.00 34.95 31.01 1j5i s ARG 82 CO 0.48 0.57 0.00 1.87 -1.13 0.00 0.00 175.30 177.09 1j5i n TRP 83 N 0.30 0.00 0.00 5.89 -0.00 -0.39 -4.72 117.44 118.52 1j5i n TRP 83 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.42 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 3.43 1.50 5.00 5.87 0.00 -0.28 -4.78 105.19 115.94 1j5i n GLY 84 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.14 114.28 114.73 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 -3.54 12.58 0.31 0.62 -4.85 118.33 123.44 1j5i n VAL 86 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1j5i n VAL 86 Cb 0.00 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 32.78 1j5i n VAL 86 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1j5i s ASP 87 N -1.56 3.54 -0.38 4.52 2.15 -1.26 -0.25 116.67 123.43 1j5i s ASP 87 Ca 0.00 -1.33 -0.01 0.00 0.43 0.00 0.00 52.55 51.64 1j5i s ASP 87 Cb 0.00 -0.37 0.24 0.00 -0.30 0.00 0.00 42.92 42.50 1j5i s ASP 87 CO 0.00 -0.44 2.05 0.00 -0.17 0.00 0.00 175.17 176.62 1j5i n THR 89 N 0.18 0.20 -0.10 0.00 5.66 -1.26 -4.11 114.28 114.85 1j5i n THR 89 Ca 0.36 -0.16 -0.21 0.00 -3.05 0.00 0.00 64.05 60.98 1j5i n THR 89 Cb 0.59 -0.01 -0.12 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 0.97 -3.21 1.09 2.02 -1.99 -3.46 112.91 108.33 1j5i h THR 90 Ca 0.00 -2.18 -0.58 0.00 0.77 0.00 0.00 66.41 64.41 1j5i h THR 90 Cb 0.64 2.29 -0.06 0.00 -1.74 0.00 0.00 68.15 69.28 1j5i h THR 90 CO 0.00 0.33 -0.12 0.00 0.37 0.00 0.00 175.52 176.10 1j5i s ALA 91 N -2.35 3.56 -0.30 6.16 0.00 -1.26 -5.00 121.76 122.56 1j5i s ALA 91 Ca -0.28 -0.12 -0.28 0.00 0.00 0.00 0.00 51.96 51.27 1j5i s ALA 91 Cb 0.05 -2.58 -0.02 0.00 0.00 0.00 0.00 23.12 20.57 1j5i s ALA 91 CO 0.60 0.24 1.85 0.00 0.00 0.00 0.00 175.76 178.45 1j5i s ALA 92 N -0.32 2.88 -0.18 0.00 0.00 -1.26 -4.86 121.76 118.00 1j5i s ALA 92 Ca 0.27 0.36 -0.21 0.00 0.00 0.00 0.00 51.96 52.37 1j5i s ALA 92 Cb -0.17 -4.01 -0.03 0.00 0.00 0.00 0.00 23.12 18.91 1j5i s ALA 92 CO 0.14 -2.61 0.63 0.00 0.00 0.00 0.00 175.76 173.92 1j5i s GLN 94 N 1.78 3.76 -0.39 0.00 -2.07 -0.57 -0.89 119.66 121.27 1j5i s GLN 94 Ca 0.29 -0.43 -0.22 0.00 -1.82 0.00 0.00 55.36 53.18 1j5i s GLN 94 Cb -0.16 -3.35 0.01 0.00 -1.09 0.00 0.00 33.01 28.42 1j5i s GLN 94 CO 0.11 -0.10 0.72 0.08 -1.32 0.00 0.00 175.29 174.78 1j5i s VAL 95 N 1.39 4.77 0.29 3.63 1.01 0.29 -1.10 120.40 130.68 1j5i s VAL 95 Ca 0.06 0.61 -0.20 0.00 0.00 0.00 0.00 61.98 62.45 1j5i s VAL 95 Cb -0.15 -4.19 0.05 0.00 0.00 0.00 0.00 36.38 32.09 1j5i s VAL 95 CO 0.04 -0.48 0.84 -0.83 0.00 0.00 0.00 175.10 174.68 1j5i s GLY 96 N 1.91 0.11 -0.20 4.51 0.00 -0.36 -0.52 107.32 112.77 1j5i s GLY 96 Ca 0.28 -0.43 -0.06 0.00 0.00 0.00 0.00 44.72 44.50 1j5i s GLY 96 CO 0.18 0.26 0.03 0.48 0.00 0.00 0.00 173.10 174.04 1j5i s LEU 97 N -3.07 3.44 0.39 0.66 2.34 -1.23 -0.29 118.68 120.93 1j5i s LEU 97 Ca 0.15 -0.12 0.08 0.00 0.06 0.00 0.00 54.13 54.30 1j5i s LEU 97 Cb -0.04 -1.88 -0.01 0.00 -0.56 0.00 0.00 46.19 43.70 1j5i s LEU 97 CO 0.08 0.09 0.41 -0.55 -1.06 0.00 0.00 176.35 175.32 1j5i s SER 98 N 0.86 5.35 0.26 1.48 0.15 0.10 -4.39 113.70 117.52 1j5i s SER 98 Ca 0.02 -0.55 0.05 0.00 0.70 0.00 0.00 55.95 56.17 1j5i s SER 98 Cb -0.14 -0.76 -0.02 0.00 -1.71 0.00 0.00 66.02 63.39 1j5i s SER 98 CO 0.02 -0.58 0.39 1.51 1.20 0.00 0.00 173.24 175.77 1j5i s ASP 99 N -4.16 6.22 -0.12 5.45 3.84 -1.26 0.22 116.67 126.86 1j5i s ASP 99 Ca 0.48 -0.00 0.07 0.00 -0.00 0.00 0.00 52.55 53.10 1j5i s ASP 99 Cb -0.06 -1.69 0.41 0.00 -1.38 0.00 0.00 42.92 40.20 1j5i s ASP 99 CO 0.29 -0.16 1.14 0.00 -0.00 0.00 0.00 175.17 176.44 1j5i n ALA 100 N -1.47 3.23 -0.09 2.11 0.00 -1.26 -3.62 120.51 119.42 1j5i n ALA 100 Ca -0.07 -0.98 -0.11 0.00 0.00 0.00 0.00 53.44 52.28 1j5i n ALA 100 Cb 0.57 -1.07 -0.09 0.00 0.00 0.00 0.00 19.45 18.86 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 0.30 1.62 0.00 0.00 0.00 -1.26 -5.05 120.51 116.12 1j5i n ALA 101 Ca 0.15 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1j5i n ALA 101 Cb 0.74 0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.23 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 2.46 0.67 3.42 0.00 0.00 -1.24 -5.12 105.19 105.38 1j5i n GLY 102 Ca -0.30 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.02 3.86 -0.62 1.61 -0.87 -1.26 -4.99 114.94 111.66 1j5i s ASN 103 Ca 0.00 -0.28 -0.10 0.00 -1.57 0.00 0.00 52.86 50.91 1j5i s ASN 103 Cb 0.00 -1.02 -0.18 0.00 -0.02 0.00 0.00 41.25 40.03 1j5i s ASN 103 CO 0.00 0.29 1.44 0.61 -2.57 0.00 0.00 177.10 176.87 1j5i n GLY 104 N 2.70 -0.31 3.73 0.66 0.00 -1.26 -4.61 105.19 106.10 1j5i n GLY 104 Ca -0.17 0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 4.74 4.52 0.20 1.61 0.04 -1.26 -5.03 135.00 139.82 1j5i s PRO 105 Ca 0.82 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 63.47 1j5i s PRO 105 Cb -0.61 -3.31 -0.07 0.00 0.04 0.00 0.00 34.50 30.54 1j5i s PRO 105 CO 0.33 -0.08 0.57 -1.21 0.04 0.00 0.00 177.00 176.65 1j5i s GLU 106 N 0.31 3.90 0.21 4.56 0.41 -1.26 -5.01 118.70 121.82 1j5i s GLU 106 Ca 0.54 0.41 -0.20 0.00 -0.41 0.00 0.00 54.97 55.31 1j5i s GLU 106 Cb -0.29 -2.76 0.03 0.00 -1.78 0.00 0.00 34.13 29.34 1j5i s GLU 106 CO 0.32 0.38 0.59 0.20 -0.49 0.00 0.00 175.26 176.26 1j5i s GLY 107 N -2.06 -0.20 -0.19 -1.39 0.00 -1.26 -3.50 107.32 98.72 1j5i s GLY 107 Ca 0.44 -0.09 -0.14 0.00 0.00 0.00 0.00 44.72 44.92 1j5i s GLY 107 CO 0.20 -0.13 0.32 0.54 0.00 0.00 0.00 173.10 174.03 1j5i s VAL 108 N -3.86 5.27 -0.81 1.40 0.11 0.32 -4.72 120.40 118.10 1j5i s VAL 108 Ca 0.08 0.56 -0.25 0.00 -2.93 0.00 0.00 61.98 59.44 1j5i s VAL 108 Cb -0.02 -3.65 -0.08 0.00 -1.53 0.00 0.00 36.38 31.09 1j5i s VAL 108 CO -0.03 0.32 2.15 0.00 -3.33 0.00 0.00 175.10 174.21 1j5i s ALA 109 N 0.96 1.31 0.58 1.54 0.00 -1.26 -0.55 121.76 124.33 1j5i s ALA 109 Ca 0.16 -1.08 -0.16 0.00 0.00 0.00 0.00 51.96 50.88 1j5i s ALA 109 Cb -0.14 -4.53 -0.04 0.00 0.00 0.00 0.00 23.12 18.40 1j5i s ALA 109 CO 0.06 -5.17 1.05 0.42 0.00 0.00 0.00 175.76 172.11 1j5i s ILE 110 N 12.01 3.90 0.00 0.00 1.09 -0.07 -4.76 121.20 133.37 1j5i s ILE 110 Ca 0.80 0.92 0.00 0.00 -1.10 0.00 0.00 60.65 61.27 1j5i s ILE 110 Cb -0.10 -3.43 0.00 0.00 -1.06 0.00 0.00 42.46 37.87 1j5i s ILE 110 CO 0.06 -0.52 0.00 -1.20 -0.10 0.00 0.00 174.94 173.18 1j5i n SER 111 N -1.92 0.00 -3.55 3.58 7.64 -0.28 -4.26 113.62 114.83 1j5i n SER 111 Ca 0.08 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.88 1j5i n SER 111 Cb 0.53 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.71 1j5i n SER 111 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1j5i s PHE 112 N 0.00 -0.36 -1.04 1.43 2.19 -1.15 0.12 117.98 119.16 1j5i s PHE 112 Ca 0.00 0.14 0.00 0.00 0.33 0.00 0.00 56.93 57.40 1j5i s PHE 112 Cb 0.00 0.58 0.00 0.00 -1.31 0.00 0.00 43.02 42.29 1j5i s PHE 112 CO 0.00 -0.76 0.26 -1.71 1.83 0.00 0.00 175.22 174.84