#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5i n ALA 2 N 0.00 -1.75 -1.45 0.00 0.00 -1.26 -5.07 120.51 110.98 1j5i n ALA 2 Ca 0.00 0.01 -0.19 0.00 0.00 0.00 0.00 53.44 53.26 1j5i n ALA 2 Cb 0.00 -0.19 0.21 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.02 -2.12 0.00 0.00 -0.04 -1.26 -4.74 135.00 125.81 1j5i n PRO 3 Ca 0.00 -1.78 0.00 0.00 -0.04 0.00 0.00 63.50 61.69 1j5i n PRO 3 Cb 0.46 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 -4.22 0.00 -1.69 0.52 -2.24 -0.63 -4.53 114.28 101.49 1j5i n THR 4 Ca 0.15 0.00 -0.51 0.00 -2.27 0.00 0.00 64.05 61.42 1j5i n THR 4 Cb 0.54 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.72 1j5i n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j5i n ALA 5 N 0.69 0.57 -3.05 6.98 0.00 -1.26 -3.31 120.51 121.14 1j5i n ALA 5 Ca 0.00 0.31 -0.12 0.00 0.00 0.00 0.00 53.44 53.64 1j5i n ALA 5 Cb 0.00 -2.42 -0.12 0.00 0.00 0.00 0.00 19.45 16.92 1j5i n ALA 5 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1j5i s THR 6 N 3.88 0.04 -0.10 0.00 -4.23 0.11 -3.61 115.64 111.72 1j5i s THR 6 Ca 0.94 -0.31 -0.02 0.00 -1.18 0.00 0.00 61.69 61.12 1j5i s THR 6 Cb -0.80 -0.29 -0.03 0.00 1.34 0.00 0.00 72.50 72.72 1j5i s THR 6 CO 0.55 -0.17 -0.01 0.54 -0.54 0.00 0.00 174.62 174.99 1j5i s VAL 7 N -0.56 4.18 0.09 2.29 0.11 -1.26 0.82 120.40 126.08 1j5i s VAL 7 Ca -0.06 -0.28 -0.18 0.00 -2.93 0.00 0.00 61.98 58.52 1j5i s VAL 7 Cb -0.04 -2.78 -0.04 0.00 -1.53 0.00 0.00 36.38 31.99 1j5i s VAL 7 CO 0.01 0.57 0.92 0.41 -3.33 0.00 0.00 175.10 173.68 1j5i n THR 8 N 2.54 -0.40 -2.54 5.04 -1.04 -0.63 -4.23 114.28 113.01 1j5i n THR 8 Ca -0.18 1.45 -0.35 0.00 -2.04 0.00 0.00 64.05 62.93 1j5i n THR 8 Cb 0.53 -1.80 -0.04 0.00 -1.82 0.00 0.00 70.33 67.21 1j5i n THR 8 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1j5i s PRO 9 N -5.26 3.92 0.06 -2.82 0.04 -1.26 -4.97 135.00 124.72 1j5i s PRO 9 Ca -0.07 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1j5i s PRO 9 Cb 0.07 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1j5i s PRO 9 CO 0.37 -0.33 0.00 -1.13 0.04 0.00 0.00 177.00 175.94 1j5i n SER 10 N -0.66 0.18 -4.42 6.66 3.41 -1.26 -4.89 113.62 112.63 1j5i n SER 10 Ca 0.08 0.10 -0.21 0.00 -0.26 0.00 0.00 58.87 58.58 1j5i n SER 10 Cb 0.51 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 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 -5.19 2.81 -1.49 4.04 0.15 -1.26 -1.53 113.70 111.22 1j5i s SER 11 Ca 0.00 -1.16 -0.06 0.00 0.70 0.00 0.00 55.95 55.44 1j5i s SER 11 Cb 0.00 -0.18 0.02 0.00 -1.71 0.00 0.00 66.02 64.16 1j5i s SER 11 CO 0.00 -0.29 0.57 0.61 1.20 0.00 0.00 173.24 175.33 1j5i n GLY 12 N -0.56 -0.51 3.56 9.45 0.00 -0.53 -4.82 105.19 111.77 1j5i n GLY 12 Ca -0.06 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -6.63 0.74 -0.02 0.99 0.05 -1.02 -5.05 118.68 107.73 1j5i s LEU 13 Ca 0.32 1.03 0.06 0.00 0.05 0.00 0.00 54.13 55.60 1j5i s LEU 13 Cb -0.15 -2.91 -0.01 0.00 -2.05 0.00 0.00 46.19 41.07 1j5i s LEU 13 CO 0.40 -4.01 -0.20 -0.55 -0.55 0.00 0.00 176.35 171.45 1j5i s SER 14 N -3.33 2.35 -0.72 1.48 0.15 -1.26 -5.02 113.70 107.35 1j5i s SER 14 Ca 0.68 -0.37 -0.23 0.00 0.70 0.00 0.00 55.95 56.74 1j5i s SER 14 Cb -0.17 -0.34 -0.22 0.00 -1.71 0.00 0.00 66.02 63.58 1j5i s SER 14 CO 0.59 0.23 1.81 0.47 1.20 0.00 0.00 173.24 177.54 1j5i n ASP 15 N 2.69 0.70 0.00 5.45 10.43 -1.26 -0.14 116.55 134.41 1j5i n ASP 15 Ca -0.16 -2.26 0.00 0.00 2.57 0.00 0.00 54.79 54.94 1j5i n ASP 15 Cb 0.53 -1.31 0.00 0.00 1.84 0.00 0.00 41.12 42.18 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1j5i n GLY 16 N 5.62 0.89 3.48 0.44 0.00 0.07 -4.85 105.19 110.83 1j5i n GLY 16 Ca 0.34 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.54 4.44 -0.10 2.61 2.01 0.80 -4.71 115.64 119.15 1j5i s THR 17 Ca 0.00 -0.10 -0.20 0.00 0.31 0.00 0.00 61.69 61.69 1j5i s THR 17 Cb 0.00 -4.56 -0.04 0.00 0.01 0.00 0.00 72.50 67.91 1j5i s THR 17 CO 0.00 -1.21 0.57 0.54 -0.69 0.00 0.00 174.62 173.83 1j5i s VAL 18 N 3.79 5.13 0.00 3.82 0.11 -1.26 0.16 120.40 132.15 1j5i s VAL 18 Ca 0.25 1.15 0.00 0.00 -2.93 0.00 0.00 61.98 60.45 1j5i s VAL 18 Cb -0.15 -3.91 0.00 0.00 -1.53 0.00 0.00 36.38 30.79 1j5i s VAL 18 CO 0.14 0.28 0.00 1.33 -3.33 0.00 0.00 175.10 173.53 1j5i n VAL 19 N 3.78 0.00 -4.74 2.04 0.24 -0.50 -4.94 118.33 114.20 1j5i n VAL 19 Ca -0.05 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.92 1j5i n VAL 19 Cb 0.51 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.76 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 1.08 2.63 -0.50 7.34 2.20 -1.26 -1.86 119.74 129.36 1j5i s LYS 20 Ca 0.00 -0.62 -0.04 0.00 -0.36 0.00 0.00 55.97 54.95 1j5i s LYS 20 Cb 0.00 -2.49 0.13 0.00 -1.51 0.00 0.00 37.83 33.96 1j5i s LYS 20 CO 0.00 0.64 0.32 0.08 -0.36 0.00 0.00 175.35 176.03 1j5i s VAL 21 N -0.78 3.59 -0.20 4.02 1.01 0.23 -1.61 120.40 126.66 1j5i s VAL 21 Ca 0.12 -2.37 -0.19 0.00 0.00 0.00 0.00 61.98 59.55 1j5i s VAL 21 Cb -0.11 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1j5i s VAL 21 CO 0.01 -0.78 0.54 0.00 0.00 0.00 0.00 175.10 174.88 1j5i s ALA 22 N 0.70 3.55 -0.47 5.51 0.00 0.24 -0.98 121.76 130.31 1j5i s ALA 22 Ca 0.11 -0.39 0.04 0.00 0.00 0.00 0.00 51.96 51.73 1j5i s ALA 22 Cb -0.22 -2.85 0.12 0.00 0.00 0.00 0.00 23.12 20.17 1j5i s ALA 22 CO -0.04 -0.49 0.20 0.20 0.00 0.00 0.00 175.76 175.64 1j5i s GLY 23 N 1.19 2.31 -0.39 0.00 0.00 0.17 0.03 107.32 110.62 1j5i s GLY 23 Ca 0.25 -3.07 -0.18 0.00 0.00 0.00 0.00 44.72 41.72 1j5i s GLY 23 CO 0.10 0.99 0.47 0.00 0.00 0.00 0.00 173.10 174.66 1j5i s ALA 24 N 0.03 3.44 0.00 3.20 0.00 -1.21 -0.56 121.76 126.66 1j5i s ALA 24 Ca 0.15 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1j5i s ALA 24 Cb -0.24 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1j5i s ALA 24 CO -0.02 -1.45 0.00 0.41 0.00 0.00 0.00 175.76 174.70 1j5i n GLY 25 N 5.01 1.28 0.00 0.00 0.00 0.18 -1.60 105.19 110.05 1j5i n GLY 25 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -4.50 0.99 -0.00 -0.47 -4.83 117.00 108.19 1j5i n LEU 26 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.80 1j5i n LEU 26 Cb 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 43.42 43.20 1j5i n LEU 26 CO 0.00 0.00 2.04 0.00 -0.00 0.00 0.00 177.39 179.43 1j5i n GLN 27 N 0.00 0.02 -1.64 1.96 1.13 -1.26 -4.46 117.38 113.13 1j5i n GLN 27 Ca 0.00 -0.04 -0.16 0.00 -1.94 0.00 0.00 57.00 54.87 1j5i n GLN 27 Cb 0.00 -1.11 -0.10 0.00 0.11 0.00 0.00 30.24 29.13 1j5i n GLN 27 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j5i s ALA 28 N 0.63 0.61 -0.05 -1.58 0.00 -1.26 -1.81 121.76 118.30 1j5i s ALA 28 Ca 1.29 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1j5i s ALA 28 Cb -0.81 -4.68 0.00 0.00 0.00 0.00 0.00 23.12 17.63 1j5i s ALA 28 CO 0.54 -6.61 0.00 0.41 0.00 0.00 0.00 175.76 170.10 1j5i n GLY 29 N 6.26 0.45 2.25 0.00 0.00 -0.86 -4.74 105.19 108.55 1j5i n GLY 29 Ca 0.43 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.86 0.00 -3.69 2.61 -1.04 -0.75 -4.79 114.28 103.75 1j5i n THR 30 Ca -0.00 -0.86 -0.28 0.00 -2.04 0.00 0.00 64.05 60.87 1j5i n THR 30 Cb 0.08 -1.19 -0.16 0.00 -1.82 0.00 0.00 70.33 67.23 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 -3.16 0.92 0.00 2.41 0.00 -1.26 -1.60 121.76 119.07 1j5i s ALA 31 Ca 0.39 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1j5i s ALA 31 Cb -0.02 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.87 1j5i s ALA 31 CO 0.26 -1.28 0.00 0.66 0.00 0.00 0.00 175.76 175.40 1j5i n TYR 32 N 5.09 -0.36 -4.08 0.00 4.02 0.23 -4.70 117.16 117.35 1j5i n TYR 32 Ca -0.07 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.49 1j5i n TYR 32 Cb 0.46 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.62 1j5i n TYR 32 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1j5i s ASP 33 N -0.87 3.19 0.25 7.72 -1.08 -0.66 -0.25 116.67 124.98 1j5i s ASP 33 Ca 0.00 -0.71 -0.30 0.00 -0.52 0.00 0.00 52.55 51.02 1j5i s ASP 33 Cb 0.00 -1.40 -0.09 0.00 -1.46 0.00 0.00 42.92 39.97 1j5i s ASP 33 CO 0.00 -0.04 0.98 -0.69 0.52 0.00 0.00 175.17 175.93 1j5i s VAL 34 N 1.32 3.93 0.00 1.11 1.01 0.53 -0.68 120.40 127.62 1j5i s VAL 34 Ca 0.03 1.94 0.00 0.00 0.00 0.00 0.00 61.98 63.95 1j5i s VAL 34 Cb -0.14 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1j5i s VAL 34 CO -0.11 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1j5i n GLY 35 N 1.39 1.20 3.44 4.51 0.00 0.15 0.77 105.19 116.65 1j5i n GLY 35 Ca -0.02 -0.57 -0.44 0.00 0.00 0.00 0.00 46.02 44.99 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 3.12 0.04 1.61 -2.07 -1.25 -0.53 119.66 118.58 1j5i s GLN 36 Ca 0.00 -0.93 0.02 0.00 -1.82 0.00 0.00 55.36 52.63 1j5i s GLN 36 Cb 0.00 -4.13 -0.04 0.00 -1.09 0.00 0.00 33.01 27.75 1j5i s GLN 36 CO 0.00 -1.30 0.05 0.00 -1.32 0.00 0.00 175.29 172.71 1j5i s ALA 38 N -1.25 -1.87 -0.47 0.00 0.00 -0.54 -1.70 121.76 115.93 1j5i s ALA 38 Ca 0.25 1.24 -0.27 0.00 0.00 0.00 0.00 51.96 53.17 1j5i s ALA 38 Cb -0.12 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 1j5i s ALA 38 CO 0.16 -0.56 1.84 1.67 0.00 0.00 0.00 175.76 178.87 1j5i s TRP 39 N -2.42 1.74 -0.15 0.00 1.48 -1.26 0.80 118.94 119.13 1j5i s TRP 39 Ca 0.03 0.75 -0.16 0.00 -1.06 0.00 0.00 56.10 55.65 1j5i s TRP 39 Cb -0.01 -4.09 -0.24 0.00 -1.16 0.00 0.00 33.47 27.97 1j5i s TRP 39 CO -0.05 -2.59 0.39 -0.24 -4.06 0.00 0.00 176.95 170.40 1j5i h VAL 40 N 6.87 0.91 -2.23 -0.66 3.04 -1.38 -3.45 116.25 119.34 1j5i h VAL 40 Ca -0.29 -2.30 0.00 0.00 -1.01 0.00 0.00 66.70 63.10 1j5i h VAL 40 Cb 1.17 2.50 0.00 0.00 -2.01 0.00 0.00 31.29 32.95 1j5i h VAL 40 CO 1.12 0.61 0.00 -0.67 -1.01 0.00 0.00 177.57 177.62 1j5i n ASP 41 N -4.02 0.00 -4.56 3.17 2.03 -1.19 -4.88 116.55 107.09 1j5i n ASP 41 Ca -0.29 -0.22 -0.24 0.00 0.52 0.00 0.00 54.79 54.57 1j5i n ASP 41 Cb 0.84 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 41.16 1j5i n ASP 41 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1j5i n THR 42 N -0.33 1.27 -1.75 5.18 -1.04 -1.26 -3.03 114.28 113.32 1j5i n THR 42 Ca 0.00 -1.32 -0.12 0.00 -2.04 0.00 0.00 64.05 60.57 1j5i n THR 42 Cb 0.00 -2.11 -0.03 0.00 -1.82 0.00 0.00 70.33 66.37 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 5.88 0.65 3.38 3.41 0.00 -1.26 -4.97 105.19 112.28 1j5i n GLY 43 Ca 0.44 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.52 5.01 -0.62 1.61 1.01 -1.17 -4.97 120.40 118.75 1j5i s VAL 44 Ca 0.00 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 60.72 1j5i s VAL 44 Cb 0.00 -3.93 -0.11 0.00 0.00 0.00 0.00 36.38 32.34 1j5i s VAL 44 CO 0.00 -0.47 2.43 0.18 0.00 0.00 0.00 175.10 177.24 1j5i n LEU 45 N 5.12 1.96 -4.71 3.92 4.77 -1.26 -1.18 117.00 125.63 1j5i n LEU 45 Ca -0.12 -0.78 -0.35 0.00 -0.03 0.00 0.00 56.01 54.73 1j5i n LEU 45 Cb 0.45 -1.55 -0.09 0.00 -2.33 0.00 0.00 43.42 39.90 1j5i n LEU 45 CO 0.43 -1.86 -0.25 0.00 -1.33 0.00 0.00 177.39 174.38 1j5i s ALA 46 N 12.60 3.47 0.08 -1.18 0.00 0.24 -2.89 121.76 134.07 1j5i s ALA 46 Ca 0.99 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 52.26 1j5i s ALA 46 Cb -0.23 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 1j5i s ALA 46 CO 0.23 0.43 0.00 0.00 0.00 0.00 0.00 175.76 176.42 1j5i s ASN 48 N -2.23 4.21 0.21 0.00 0.02 -1.24 0.31 114.94 116.22 1j5i s ASN 48 Ca 0.25 0.18 0.25 0.00 -1.02 0.00 0.00 52.86 52.52 1j5i s ASN 48 Cb -0.12 -0.59 0.90 0.00 0.02 0.00 0.00 41.25 41.46 1j5i s ASN 48 CO 0.18 -1.99 1.74 -0.81 0.02 0.00 0.00 177.10 176.24 1j5i n PRO 49 N -3.14 0.21 -0.28 -0.60 -0.04 -1.26 -2.10 135.00 127.79 1j5i n PRO 49 Ca 0.12 0.30 0.11 0.00 -0.04 0.00 0.00 63.50 63.98 1j5i n PRO 49 Cb 0.60 -1.80 0.28 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.75 2.41 0.78 0.55 0.00 -1.26 -3.97 120.51 117.27 1j5i n ALA 50 Ca 0.04 -1.06 0.05 0.00 0.00 0.00 0.00 53.44 52.47 1j5i n ALA 50 Cb 0.32 -0.94 0.16 0.00 0.00 0.00 0.00 19.45 18.99 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 1.34 2.06 -4.21 0.00 -0.08 -0.89 -4.52 116.55 110.25 1j5i n ASP 51 Ca 0.21 -2.07 -0.41 0.00 -1.51 0.00 0.00 54.79 51.01 1j5i n ASP 51 Cb 0.54 -0.29 -0.08 0.00 2.34 0.00 0.00 41.12 43.64 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 -1.58 3.47 -0.41 -0.67 0.08 -1.19 -3.16 117.98 114.53 1j5i s PHE 52 Ca 0.24 -2.04 0.08 0.00 0.12 0.00 0.00 56.93 55.32 1j5i s PHE 52 Cb 0.13 -3.50 0.24 0.00 -0.57 0.00 0.00 43.02 39.32 1j5i s PHE 52 CO 0.14 -0.97 0.52 0.45 -0.10 0.00 0.00 175.22 175.27 1j5i n SER 53 N 4.50 0.33 -4.66 1.36 2.88 0.23 -4.91 113.62 113.36 1j5i n SER 53 Ca -0.02 -2.71 -0.52 0.00 -1.33 0.00 0.00 58.87 54.29 1j5i n SER 53 Cb 0.41 -0.64 -0.06 0.00 -0.75 0.00 0.00 64.21 63.18 1j5i n SER 53 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1j5i n SER 54 N 1.48 2.86 -3.83 -3.46 2.88 -1.26 -0.35 113.62 111.94 1j5i n SER 54 Ca 0.22 0.91 -0.09 0.00 -1.33 0.00 0.00 58.87 58.57 1j5i n SER 54 Cb 0.52 -1.27 -0.05 0.00 -0.75 0.00 0.00 64.21 62.66 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 4.49 0.04 0.16 2.46 0.11 0.66 -4.89 120.40 123.43 1j5i s VAL 55 Ca 0.98 -1.02 0.09 0.00 -2.93 0.00 0.00 61.98 59.10 1j5i s VAL 55 Cb -0.85 -1.70 -0.04 0.00 -1.53 0.00 0.00 36.38 32.26 1j5i s VAL 55 CO 0.56 -0.18 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.07 1j5i s THR 56 N -3.91 1.93 0.06 5.04 2.01 -1.26 -0.60 115.64 118.90 1j5i s THR 56 Ca 0.12 -1.90 0.03 0.00 0.31 0.00 0.00 61.69 60.25 1j5i s THR 56 Cb 0.00 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 1j5i s THR 56 CO -0.01 -0.24 0.05 0.00 -0.69 0.00 0.00 174.62 173.72 1j5i s ALA 57 N -1.86 3.45 0.85 7.40 0.00 -0.63 -4.46 121.76 126.51 1j5i s ALA 57 Ca 0.16 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 1j5i s ALA 57 Cb -0.07 -1.38 0.10 0.00 0.00 0.00 0.00 23.12 21.78 1j5i s ALA 57 CO 0.07 0.71 1.13 -0.51 0.00 0.00 0.00 175.76 177.16 1j5i s ASP 58 N -2.14 3.61 0.55 0.00 -0.00 0.15 -2.64 116.67 116.20 1j5i s ASP 58 Ca 0.26 2.06 0.49 0.00 -0.00 0.00 0.00 52.55 55.36 1j5i s ASP 58 Cb -0.12 -2.55 1.72 0.00 -0.00 0.00 0.00 42.92 41.97 1j5i s ASP 58 CO 0.18 -2.64 1.60 0.00 -0.00 0.00 0.00 175.17 174.31 1j5i h ALA 59 N -1.48 3.77 -0.46 5.23 0.00 -1.88 3.15 119.26 127.58 1j5i h ALA 59 Ca -0.44 -0.06 -0.28 0.00 0.00 0.00 0.00 54.91 54.14 1j5i h ALA 59 Cb 1.26 0.15 -0.14 0.00 0.00 0.00 0.00 17.79 19.05 1j5i h ALA 59 CO 0.46 -2.31 0.36 -1.71 0.00 0.00 0.00 179.25 176.04 1j5i n ASN 60 N -3.99 4.94 -4.39 0.00 2.85 -1.26 -3.99 115.26 109.42 1j5i n ASN 60 Ca 0.42 -2.90 -0.38 0.00 -0.11 0.00 0.00 54.58 51.62 1j5i n ASN 60 Cb 1.92 -0.86 -0.07 0.00 1.24 0.00 0.00 39.78 42.01 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 0.07 -0.34 3.17 8.20 0.00 1.05 -3.91 105.19 113.43 1j5i n GLY 61 Ca 0.28 0.11 -0.39 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.57 5.55 -0.46 1.61 0.01 -0.99 0.48 113.70 116.33 1j5i s SER 62 Ca 0.59 -2.16 -0.11 0.00 1.31 0.00 0.00 55.95 55.59 1j5i s SER 62 Cb -0.34 -1.94 0.10 0.00 0.21 0.00 0.00 66.02 64.05 1j5i s SER 62 CO 0.99 -0.59 0.34 0.00 0.41 0.00 0.00 173.24 174.39 1j5i s ALA 63 N 0.98 3.41 -0.99 1.44 0.00 0.27 0.32 121.76 127.19 1j5i s ALA 63 Ca 0.09 -2.36 -0.06 0.00 0.00 0.00 0.00 51.96 49.63 1j5i s ALA 63 Cb -0.23 -2.84 0.25 0.00 0.00 0.00 0.00 23.12 20.29 1j5i s ALA 63 CO -0.03 -1.81 0.94 -1.54 0.00 0.00 0.00 175.76 173.32 1j5i s SER 64 N 2.59 6.71 -0.12 0.00 1.04 -1.25 0.41 113.70 123.08 1j5i s SER 64 Ca 0.04 -3.57 -0.02 0.00 0.48 0.00 0.00 55.95 52.88 1j5i s SER 64 Cb -0.25 -2.08 -0.03 0.00 0.10 0.00 0.00 66.02 63.75 1j5i s SER 64 CO 0.01 -0.27 -0.02 0.28 0.98 0.00 0.00 173.24 174.22 1j5i s THR 65 N -1.17 4.05 0.09 2.02 -1.32 -0.16 -4.82 115.64 114.32 1j5i s THR 65 Ca 0.28 -0.32 -0.14 0.00 -1.21 0.00 0.00 61.69 60.29 1j5i s THR 65 Cb -0.09 -2.73 -0.06 0.00 -1.51 0.00 0.00 72.50 68.10 1j5i s THR 65 CO -0.10 0.55 0.49 -0.94 -2.21 0.00 0.00 174.62 172.41 1j5i s SER 66 N -0.26 6.83 0.34 8.08 1.04 -1.26 0.78 113.70 129.25 1j5i s SER 66 Ca 0.05 1.03 -0.08 0.00 0.48 0.00 0.00 55.95 57.43 1j5i s SER 66 Cb -0.13 -2.27 0.02 0.00 0.10 0.00 0.00 66.02 63.74 1j5i s SER 66 CO 0.02 0.20 0.57 -0.22 0.98 0.00 0.00 173.24 174.79 1j5i s LEU 67 N -1.58 0.61 -0.21 2.42 1.98 -0.78 -4.91 118.68 116.22 1j5i s LEU 67 Ca 0.32 -1.29 -0.06 0.00 -2.89 0.00 0.00 54.13 50.21 1j5i s LEU 67 Cb -0.16 1.91 -0.03 0.00 0.66 0.00 0.00 46.19 48.57 1j5i s LEU 67 CO 0.18 -1.38 0.03 -0.89 -1.89 0.00 0.00 176.35 172.39 1j5i s THR 68 N -3.01 4.22 -1.06 3.68 2.01 -1.26 -1.42 115.64 118.80 1j5i s THR 68 Ca 0.25 -0.22 -0.17 0.00 0.31 0.00 0.00 61.69 61.85 1j5i s THR 68 Cb -0.02 -2.92 0.13 0.00 0.01 0.00 0.00 72.50 69.70 1j5i s THR 68 CO 0.16 0.42 1.31 -0.69 -0.69 0.00 0.00 174.62 175.13 1j5i s VAL 69 N 0.98 4.70 -1.10 3.82 1.01 0.43 -4.84 120.40 125.40 1j5i s VAL 69 Ca 0.03 -1.89 -0.07 0.00 0.00 0.00 0.00 61.98 60.05 1j5i s VAL 69 Cb -0.14 -4.89 0.29 0.00 0.00 0.00 0.00 36.38 31.64 1j5i s VAL 69 CO 0.02 -1.63 1.27 0.54 0.00 0.00 0.00 175.10 175.30 1j5i n ARG 70 N 6.62 3.93 -0.54 2.72 1.74 -1.26 -0.18 116.66 129.69 1j5i n ARG 70 Ca 0.31 -4.50 0.41 0.00 -0.77 0.00 0.00 57.85 53.30 1j5i n ARG 70 Cb 0.47 -2.53 0.64 0.00 -1.02 0.00 0.00 32.46 30.02 1j5i n ARG 70 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1j5i n ARG 71 N 2.08 -0.01 -3.24 5.56 0.63 -1.26 -3.66 116.66 116.75 1j5i n ARG 71 Ca 0.25 0.91 -0.41 0.00 -0.92 0.00 0.00 57.85 57.69 1j5i n ARG 71 Cb 0.36 -2.03 -0.08 0.00 0.45 0.00 0.00 32.46 31.16 1j5i n ARG 71 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1j5i s SER 72 N -3.99 6.37 0.11 6.15 0.01 -1.23 -0.66 113.70 120.45 1j5i s SER 72 Ca -0.04 0.23 -0.26 0.00 1.31 0.00 0.00 55.95 57.19 1j5i s SER 72 Cb 0.23 -2.27 0.07 0.00 0.21 0.00 0.00 66.02 64.26 1j5i s SER 72 CO 0.71 -0.38 0.89 0.72 0.41 0.00 0.00 173.24 175.59 1j5i s PHE 73 N 2.36 -0.24 -0.90 2.43 -0.12 -0.50 -4.90 117.98 116.11 1j5i s PHE 73 Ca 0.20 -0.01 -0.18 0.00 -0.05 0.00 0.00 56.93 56.89 1j5i s PHE 73 Cb -0.15 0.60 0.14 0.00 -0.63 0.00 0.00 43.02 42.98 1j5i s PHE 73 CO 0.11 -0.75 1.06 -2.00 -0.05 0.00 0.00 175.22 173.59 1j5i s GLU 74 N -3.30 3.57 0.99 1.99 2.56 -1.26 -0.39 118.70 122.86 1j5i s GLU 74 Ca 0.09 -1.81 -0.13 0.00 0.00 0.00 0.00 54.97 53.11 1j5i s GLU 74 Cb -0.01 -4.82 0.08 0.00 2.00 0.00 0.00 34.13 31.38 1j5i s GLU 74 CO -0.03 -1.71 0.50 0.41 -0.56 0.00 0.00 175.26 173.88 1j5i n GLY 75 N 5.28 -1.82 2.86 -1.50 0.00 0.25 -4.01 105.19 106.25 1j5i n GLY 75 Ca 0.21 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 1j5i n GLY 75 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j5i s PHE 76 N -2.41 -0.06 0.39 1.61 0.40 0.15 -1.16 117.98 116.89 1j5i s PHE 76 Ca 0.59 0.29 -0.27 0.00 -0.60 0.00 0.00 56.93 56.94 1j5i s PHE 76 Cb -0.20 -0.14 -0.09 0.00 0.51 0.00 0.00 43.02 43.10 1j5i s PHE 76 CO 0.66 -0.12 1.29 -0.51 0.70 0.00 0.00 175.22 177.24 1j5i s LEU 77 N 1.00 4.26 0.55 -0.37 1.02 0.11 -0.13 118.68 125.12 1j5i s LEU 77 Ca -0.08 2.64 0.32 0.00 0.02 0.00 0.00 54.13 57.03 1j5i s LEU 77 Cb -0.11 -3.85 1.59 0.00 0.02 0.00 0.00 46.19 43.84 1j5i s LEU 77 CO -0.04 -0.77 2.10 0.15 0.02 0.00 0.00 176.35 177.81 1j5i h PHE 78 N 2.83 0.00 0.30 0.29 3.57 -1.78 -2.90 116.94 119.25 1j5i h PHE 78 Ca -0.49 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.01 1j5i h PHE 78 Cb 1.24 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 1j5i h PHE 78 CO 0.54 0.08 -0.30 0.22 -2.23 0.00 0.00 178.31 176.62 1j5i h ASP 79 N 0.00 -0.80 0.00 0.41 3.58 -1.90 -3.46 116.42 114.24 1j5i h ASP 79 Ca -0.00 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1j5i h ASP 79 Cb 0.33 0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1j5i h ASP 79 CO 0.01 -0.43 0.00 0.61 -2.88 0.00 0.00 179.24 176.55 1j5i n GLY 80 N -1.42 0.34 3.88 -0.78 0.00 -1.09 -5.15 105.19 100.98 1j5i n GLY 80 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 4.31 -0.01 2.61 -1.32 -1.26 -4.87 115.64 115.10 1j5i s THR 81 Ca 0.00 0.56 -0.00 0.00 -1.21 0.00 0.00 61.69 61.04 1j5i s THR 81 Cb 0.00 -3.72 -0.04 0.00 -1.51 0.00 0.00 72.50 67.23 1j5i s THR 81 CO 0.00 -0.89 0.07 0.00 -2.21 0.00 0.00 174.62 171.59 1j5i s ARG 82 N -5.13 3.04 0.00 7.08 1.70 -1.26 0.04 118.95 124.41 1j5i s ARG 82 Ca 0.54 -0.49 0.00 0.00 -0.47 0.00 0.00 55.73 55.32 1j5i s ARG 82 Cb -0.11 -2.84 0.00 0.00 -0.57 0.00 0.00 34.95 31.43 1j5i s ARG 82 CO 0.51 0.65 0.00 1.87 -1.08 0.00 0.00 175.30 177.25 1j5i n TRP 83 N 1.26 0.00 0.00 5.89 -0.00 -0.38 -4.77 117.44 119.44 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 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.84 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 3.42 0.82 3.75 5.87 0.00 -0.31 -4.76 105.19 113.98 1j5i n GLY 84 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 0.88 114.28 115.47 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 -1.66 12.58 0.31 0.48 -4.68 118.33 125.36 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 5.05 -1.23 4.52 1.11 -1.26 -1.41 116.67 119.46 1j5i s ASP 87 Ca 0.00 1.38 -0.14 0.00 0.18 0.00 0.00 52.55 53.98 1j5i s ASP 87 Cb 0.00 -2.51 0.16 0.00 1.07 0.00 0.00 42.92 41.65 1j5i s ASP 87 CO 0.00 -2.36 1.50 0.00 1.18 0.00 0.00 175.17 175.49 1j5i n THR 89 N 4.59 0.93 -0.07 0.00 5.66 -1.26 -4.74 114.28 119.38 1j5i n THR 89 Ca 0.38 -0.52 -0.07 0.00 -3.05 0.00 0.00 64.05 60.79 1j5i n THR 89 Cb 0.42 -0.76 -0.03 0.00 -1.55 0.00 0.00 70.33 68.42 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 0.15 -2.31 1.09 2.02 -2.01 -3.44 112.91 108.41 1j5i h THR 90 Ca -0.37 -1.19 -0.53 0.00 0.77 0.00 0.00 66.41 65.10 1j5i h THR 90 Cb 1.77 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 1j5i h THR 90 CO 0.00 0.05 1.28 0.00 0.37 0.00 0.00 175.52 177.22 1j5i s ALA 91 N -2.66 2.46 -0.44 6.16 0.00 -1.26 -4.89 121.76 121.13 1j5i s ALA 91 Ca -0.16 -0.46 -0.27 0.00 0.00 0.00 0.00 51.96 51.08 1j5i s ALA 91 Cb 0.02 -4.20 -0.06 0.00 0.00 0.00 0.00 23.12 18.89 1j5i s ALA 91 CO 0.26 -3.41 2.32 0.00 0.00 0.00 0.00 175.76 174.93 1j5i s ALA 92 N 7.93 1.92 -0.10 0.00 0.00 -1.26 -4.88 121.76 125.37 1j5i s ALA 92 Ca 0.67 0.14 -0.26 0.00 0.00 0.00 0.00 51.96 52.50 1j5i s ALA 92 Cb -0.14 -4.28 -0.02 0.00 0.00 0.00 0.00 23.12 18.67 1j5i s ALA 92 CO 0.24 -4.04 0.83 0.00 0.00 0.00 0.00 175.76 172.79 1j5i s GLN 94 N 1.54 3.43 -0.25 0.00 -0.21 -0.69 0.09 119.66 123.57 1j5i s GLN 94 Ca 0.41 -0.64 -0.23 0.00 0.02 0.00 0.00 55.36 54.92 1j5i s GLN 94 Cb -0.18 -3.45 -0.01 0.00 1.00 0.00 0.00 33.01 30.37 1j5i s GLN 94 CO 0.17 -0.33 0.74 0.08 -2.12 0.00 0.00 175.29 173.83 1j5i s VAL 95 N 1.60 4.90 0.24 1.09 1.01 -0.30 -1.04 120.40 127.89 1j5i s VAL 95 Ca 0.05 1.37 -0.21 0.00 0.00 0.00 0.00 61.98 63.18 1j5i s VAL 95 Cb -0.16 -4.04 0.06 0.00 0.00 0.00 0.00 36.38 32.23 1j5i s VAL 95 CO 0.05 -0.04 0.90 -0.83 0.00 0.00 0.00 175.10 175.18 1j5i s GLY 96 N 1.41 0.03 -0.25 4.51 0.00 0.31 -1.71 107.32 111.62 1j5i s GLY 96 Ca 0.31 -0.28 -0.14 0.00 0.00 0.00 0.00 44.72 44.61 1j5i s GLY 96 CO 0.08 0.55 0.32 0.48 0.00 0.00 0.00 173.10 174.53 1j5i s LEU 97 N -3.09 4.08 0.37 0.66 2.34 -1.26 0.34 118.68 122.13 1j5i s LEU 97 Ca 0.15 0.28 0.07 0.00 0.06 0.00 0.00 54.13 54.70 1j5i s LEU 97 Cb -0.03 -2.35 -0.01 0.00 -0.56 0.00 0.00 46.19 43.24 1j5i s LEU 97 CO 0.06 -0.09 0.47 -0.94 -1.06 0.00 0.00 176.35 174.79 1j5i s SER 98 N 1.39 5.69 0.68 1.48 1.04 0.15 -4.62 113.70 119.50 1j5i s SER 98 Ca 0.14 -0.36 -0.11 0.00 0.48 0.00 0.00 55.95 56.10 1j5i s SER 98 Cb -0.15 -0.94 -0.00 0.00 0.10 0.00 0.00 66.02 65.03 1j5i s SER 98 CO 0.09 -0.56 1.05 -1.81 0.98 0.00 0.00 173.24 172.99 1j5i s ASP 99 N -4.21 5.59 0.00 7.02 -0.00 -1.12 -1.65 116.67 122.31 1j5i s ASP 99 Ca 0.48 1.55 0.26 0.00 -0.00 0.00 0.00 52.55 54.84 1j5i s ASP 99 Cb -0.09 -2.47 1.07 0.00 -0.00 0.00 0.00 42.92 41.43 1j5i s ASP 99 CO 0.31 -1.30 1.74 0.00 -0.00 0.00 0.00 175.17 175.92 1j5i n ALA 100 N -3.03 2.58 -0.38 5.23 0.00 -1.26 -4.25 120.51 119.39 1j5i n ALA 100 Ca 0.07 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1j5i n ALA 100 Cb 0.54 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.00 0.00 0.00 0.00 0.00 -1.26 -5.00 120.51 114.24 1j5i n ALA 101 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1j5i n ALA 101 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 2.12 0.00 3.21 0.00 0.00 -1.26 -5.16 105.19 104.10 1j5i n GLY 102 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1j5i n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j5i s ASN 103 N 0.00 2.04 -0.28 1.61 0.01 -1.26 -5.07 114.94 111.99 1j5i s ASN 103 Ca 0.00 -0.59 0.02 0.00 -0.71 0.00 0.00 52.86 51.58 1j5i s ASN 103 Cb 0.00 -0.11 0.06 0.00 0.41 0.00 0.00 41.25 41.62 1j5i s ASN 103 CO 0.00 0.02 -0.07 -0.83 -1.51 0.00 0.00 177.10 174.71 1j5i s GLY 104 N -1.59 1.72 0.00 0.66 0.00 -1.26 -2.78 107.32 104.07 1j5i s GLY 104 Ca 0.03 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 42.86 1j5i s GLY 104 CO 0.03 0.68 0.00 -1.55 0.00 0.00 0.00 173.10 172.25 1j5i n PRO 105 N 4.44 0.75 -2.72 2.90 -0.04 -1.26 -5.01 135.00 134.06 1j5i n PRO 105 Ca -0.11 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.97 1j5i n PRO 105 Cb 0.42 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.82 1j5i n PRO 105 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1j5i s GLU 106 N -0.49 4.59 0.28 0.54 2.56 -1.26 -5.04 118.70 119.88 1j5i s GLU 106 Ca 0.00 1.42 0.02 0.00 0.00 0.00 0.00 54.97 56.41 1j5i s GLU 106 Cb 0.00 -2.89 -0.05 0.00 2.00 0.00 0.00 34.13 33.19 1j5i s GLU 106 CO 0.00 0.27 0.12 0.20 -0.56 0.00 0.00 175.26 175.29 1j5i s GLY 107 N -1.47 1.89 -0.51 -1.50 0.00 -1.26 -4.56 107.32 99.92 1j5i s GLY 107 Ca 0.49 -1.80 -0.19 0.00 0.00 0.00 0.00 44.72 43.22 1j5i s GLY 107 CO 0.27 -1.60 0.60 0.54 0.00 0.00 0.00 173.10 172.91 1j5i s VAL 108 N -3.68 4.92 -1.07 1.40 0.11 -0.69 -4.74 120.40 116.65 1j5i s VAL 108 Ca 0.36 -0.60 -0.26 0.00 -2.93 0.00 0.00 61.98 58.55 1j5i s VAL 108 Cb 0.07 -4.29 -0.21 0.00 -1.53 0.00 0.00 36.38 30.41 1j5i s VAL 108 CO 0.15 -0.80 2.13 0.00 -3.33 0.00 0.00 175.10 173.25 1j5i s ALA 109 N 2.50 0.54 0.38 1.54 0.00 -1.26 -1.15 121.76 124.31 1j5i s ALA 109 Ca 0.13 -1.46 -0.25 0.00 0.00 0.00 0.00 51.96 50.38 1j5i s ALA 109 Cb -0.20 -4.69 -0.09 0.00 0.00 0.00 0.00 23.12 18.13 1j5i s ALA 109 CO 0.11 -6.79 1.04 -1.50 0.00 0.00 0.00 175.76 168.62 1j5i s ILE 110 N 16.63 3.77 0.00 0.00 -1.16 0.11 -4.57 121.20 135.99 1j5i s ILE 110 Ca 0.82 1.41 0.00 0.00 -0.51 0.00 0.00 60.65 62.37 1j5i s ILE 110 Cb -0.05 -3.76 0.00 0.00 0.61 0.00 0.00 42.46 39.26 1j5i s ILE 110 CO 0.17 0.06 0.00 -1.54 -2.81 0.00 0.00 174.94 170.82 1j5i n SER 111 N 0.15 0.00 -3.80 4.50 3.41 -0.58 -3.91 113.62 113.38 1j5i n SER 111 Ca 0.04 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.57 1j5i n SER 111 Cb 0.49 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 1j5i n SER 111 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1j5i s PHE 112 N 0.00 -0.18 -2.00 7.33 -0.12 -1.23 -1.45 117.98 120.34 1j5i s PHE 112 Ca 0.00 -0.23 0.28 0.00 -0.05 0.00 0.00 56.93 56.94 1j5i s PHE 112 Cb 0.00 0.61 1.70 0.00 -0.63 0.00 0.00 43.02 44.70 1j5i s PHE 112 CO 0.00 -1.13 2.04 -1.71 -0.05 0.00 0.00 175.22 174.37