#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 -1.58 -0.71 0.00 0.00 -1.26 -5.01 120.51 111.95 1j5i n ALA 2 Ca 0.00 -1.25 -0.08 0.00 0.00 0.00 0.00 53.44 52.11 1j5i n ALA 2 Cb 0.00 -1.59 -0.12 0.00 0.00 0.00 0.00 19.45 17.75 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 1.25 1.43 0.00 0.00 -0.04 -1.26 -4.72 135.00 131.66 1j5i n PRO 3 Ca 0.07 -0.68 0.00 0.00 -0.04 0.00 0.00 63.50 62.84 1j5i n PRO 3 Cb 0.66 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 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 2.54 0.00 -2.91 0.52 -2.24 -0.66 -3.71 114.28 107.82 1j5i n THR 4 Ca 0.29 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.65 1j5i n THR 4 Cb 0.66 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.84 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 -0.82 3.38 0.01 6.98 0.00 -1.23 -0.33 121.76 129.75 1j5i s ALA 5 Ca 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 1j5i s ALA 5 Cb 0.00 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 1j5i s ALA 5 CO 0.00 -1.65 0.03 0.95 0.00 0.00 0.00 175.76 175.09 1j5i s THR 6 N 3.29 0.08 0.07 0.00 -4.23 -0.45 -4.30 115.64 110.10 1j5i s THR 6 Ca 0.33 -0.65 -0.29 0.00 -1.18 0.00 0.00 61.69 59.90 1j5i s THR 6 Cb -0.12 -0.27 -0.05 0.00 1.34 0.00 0.00 72.50 73.40 1j5i s THR 6 CO 0.19 -0.36 0.94 -0.69 -0.54 0.00 0.00 174.62 174.17 1j5i s VAL 7 N -1.11 4.62 0.10 2.29 1.01 -1.26 -1.51 120.40 124.54 1j5i s VAL 7 Ca -0.12 2.02 -0.20 0.00 0.00 0.00 0.00 61.98 63.68 1j5i s VAL 7 Cb -0.07 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1j5i s VAL 7 CO -0.00 0.28 1.04 0.41 0.00 0.00 0.00 175.10 176.83 1j5i n THR 8 N 3.09 -0.44 0.00 3.92 -1.04 -0.51 -4.40 114.28 114.90 1j5i n THR 8 Ca 0.03 1.62 0.00 0.00 -2.04 0.00 0.00 64.05 63.66 1j5i n THR 8 Cb 0.50 -2.01 0.00 0.00 -1.82 0.00 0.00 70.33 66.99 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 -4.70 1.04 0.11 -2.82 -0.04 -1.26 -5.07 135.00 122.25 1j5i n PRO 9 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1j5i n PRO 9 Cb 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.63 1j5i n PRO 9 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1j5i n SER 10 N 0.00 -1.41 -4.62 3.54 7.64 -1.26 -5.06 113.62 112.45 1j5i n SER 10 Ca 0.00 0.40 -0.24 0.00 1.01 0.00 0.00 58.87 60.04 1j5i n SER 10 Cb 0.00 1.49 -0.08 0.00 -1.01 0.00 0.00 64.21 64.61 1j5i n SER 10 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1j5i s SER 11 N -2.75 4.18 0.00 6.43 0.15 -1.26 -1.96 113.70 118.49 1j5i s SER 11 Ca 0.00 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.69 1j5i s SER 11 Cb 0.00 -0.55 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 1j5i s SER 11 CO 0.00 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1j5i n GLY 12 N -0.93 0.49 3.83 9.45 0.00 -0.95 -4.85 105.19 112.22 1j5i n GLY 12 Ca -0.04 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 1j5i n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j5i s LEU 13 N 0.00 3.73 0.10 0.99 1.43 -0.60 -5.05 118.68 119.28 1j5i s LEU 13 Ca 0.00 1.66 0.08 0.00 -1.03 0.00 0.00 54.13 54.83 1j5i s LEU 13 Cb 0.00 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.66 1j5i s LEU 13 CO 0.00 -0.59 -0.20 -0.55 0.23 0.00 0.00 176.35 175.25 1j5i s SER 14 N -2.68 2.41 -0.85 2.29 0.15 -1.26 -4.91 113.70 108.84 1j5i s SER 14 Ca 0.61 -0.69 -0.21 0.00 0.70 0.00 0.00 55.95 56.35 1j5i s SER 14 Cb -0.11 -0.13 -0.19 0.00 -1.71 0.00 0.00 66.02 63.89 1j5i s SER 14 CO 0.25 0.03 1.95 -0.90 1.20 0.00 0.00 173.24 175.76 1j5i n ASP 15 N 1.03 0.67 0.00 5.45 5.75 -1.24 -0.08 116.55 128.14 1j5i n ASP 15 Ca -0.19 -2.11 0.00 0.00 -0.01 0.00 0.00 54.79 52.47 1j5i n ASP 15 Cb 0.54 -1.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.15 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 5.89 1.06 3.52 6.12 0.00 0.24 -4.74 105.19 117.29 1j5i n GLY 16 Ca 0.35 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.44 4.34 -0.18 2.61 2.01 0.89 -4.66 115.64 119.21 1j5i s THR 17 Ca 0.00 0.28 -0.29 0.00 0.31 0.00 0.00 61.69 61.99 1j5i s THR 17 Cb 0.00 -4.58 -0.02 0.00 0.01 0.00 0.00 72.50 67.91 1j5i s THR 17 CO 0.00 -1.18 1.37 -0.69 -0.69 0.00 0.00 174.62 173.43 1j5i s VAL 18 N 4.09 4.08 0.31 3.82 1.01 -1.26 0.73 120.40 133.17 1j5i s VAL 18 Ca 0.31 1.28 -0.00 0.00 0.00 0.00 0.00 61.98 63.57 1j5i s VAL 18 Cb -0.12 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 1j5i s VAL 18 CO 0.19 -0.20 0.37 0.68 0.00 0.00 0.00 175.10 176.14 1j5i s VAL 19 N 3.92 0.00 -0.15 2.92 -7.23 0.13 -4.96 120.40 115.03 1j5i s VAL 19 Ca 0.60 -1.75 -0.00 0.00 -1.81 0.00 0.00 61.98 59.01 1j5i s VAL 19 Cb -0.23 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 1j5i s VAL 19 CO 0.20 0.00 -0.13 -0.54 -0.31 0.00 0.00 175.10 174.32 1j5i s LYS 20 N -3.40 3.34 -0.43 4.82 1.02 -1.26 -1.45 119.74 122.38 1j5i s LYS 20 Ca 0.34 -0.69 -0.14 0.00 0.02 0.00 0.00 55.97 55.50 1j5i s LYS 20 Cb 0.01 -2.67 0.05 0.00 -0.52 0.00 0.00 37.83 34.70 1j5i s LYS 20 CO 0.20 0.11 0.32 0.08 -0.92 0.00 0.00 175.35 175.15 1j5i s VAL 21 N 0.60 5.02 -0.12 3.17 1.01 0.27 -1.43 120.40 128.92 1j5i s VAL 21 Ca -0.07 -0.95 -0.21 0.00 0.00 0.00 0.00 61.98 60.75 1j5i s VAL 21 Cb -0.16 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1j5i s VAL 21 CO 0.03 -0.43 0.60 0.00 0.00 0.00 0.00 175.10 175.30 1j5i s ALA 22 N 1.61 3.44 -0.65 5.51 0.00 -0.57 -1.27 121.76 129.83 1j5i s ALA 22 Ca 0.04 -0.08 -0.09 0.00 0.00 0.00 0.00 51.96 51.83 1j5i s ALA 22 Cb -0.22 -2.84 0.17 0.00 0.00 0.00 0.00 23.12 20.23 1j5i s ALA 22 CO 0.07 -0.17 0.53 0.20 0.00 0.00 0.00 175.76 176.39 1j5i s GLY 23 N 0.83 2.42 -0.54 0.00 0.00 0.16 -1.35 107.32 108.84 1j5i s GLY 23 Ca 0.31 -3.07 -0.21 0.00 0.00 0.00 0.00 44.72 41.75 1j5i s GLY 23 CO 0.13 1.16 0.76 0.00 0.00 0.00 0.00 173.10 175.15 1j5i s ALA 24 N 0.44 3.30 0.00 3.20 0.00 0.55 -0.42 121.76 128.83 1j5i s ALA 24 Ca 0.14 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.44 1j5i s ALA 24 Cb -0.19 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1j5i s ALA 24 CO -0.04 -2.23 0.00 0.41 0.00 0.00 0.00 175.76 173.90 1j5i n GLY 25 N 5.18 0.74 0.00 0.00 0.00 0.17 -1.66 105.19 109.61 1j5i n GLY 25 Ca -0.04 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.02 0.00 -4.54 0.99 -0.00 -0.55 -4.82 117.00 108.06 1j5i n LEU 26 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.83 1j5i n LEU 26 Cb 0.39 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.68 1j5i n LEU 26 CO 0.00 0.00 1.59 0.00 -0.00 0.00 0.00 177.39 178.98 1j5i n GLN 27 N 0.00 0.37 -1.55 1.96 1.13 -1.26 -4.64 117.38 113.38 1j5i n GLN 27 Ca 0.00 -0.49 -0.13 0.00 -1.94 0.00 0.00 57.00 54.43 1j5i n GLN 27 Cb 0.00 -2.69 -0.10 0.00 0.11 0.00 0.00 30.24 27.57 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 13.78 0.27 -0.96 -1.58 0.00 -1.26 -1.46 120.51 129.30 1j5i n ALA 28 Ca 0.54 -1.83 0.00 0.00 0.00 0.00 0.00 53.44 52.16 1j5i n ALA 28 Cb 0.32 -3.23 0.00 0.00 0.00 0.00 0.00 19.45 16.55 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 6.36 0.63 2.32 0.00 0.00 -0.35 -4.77 105.19 109.38 1j5i n GLY 29 Ca 0.43 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.43 0.00 -3.60 2.61 -1.04 -0.54 -4.81 114.28 104.48 1j5i n THR 30 Ca 0.00 -0.87 -0.18 0.00 -2.04 0.00 0.00 64.05 60.96 1j5i n THR 30 Cb 0.04 -1.21 -0.14 0.00 -1.82 0.00 0.00 70.33 67.19 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 -3.20 -0.19 0.00 2.41 0.00 -1.26 -1.63 121.76 117.89 1j5i s ALA 31 Ca 0.41 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.78 1j5i s ALA 31 Cb -0.02 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 22.06 1j5i s ALA 31 CO 0.27 -0.86 0.00 0.66 0.00 0.00 0.00 175.76 175.84 1j5i n TYR 32 N 5.32 -0.60 -3.95 0.00 4.02 0.19 -4.69 117.16 117.46 1j5i n TYR 32 Ca -0.05 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.49 1j5i n TYR 32 Cb 0.50 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.68 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 -0.83 4.62 0.24 7.72 2.15 -0.67 0.20 116.67 130.10 1j5i s ASP 33 Ca 0.00 -1.15 -0.30 0.00 0.43 0.00 0.00 52.55 51.54 1j5i s ASP 33 Cb 0.00 -1.67 -0.09 0.00 -0.30 0.00 0.00 42.92 40.86 1j5i s ASP 33 CO 0.00 -0.20 1.05 -0.69 -0.17 0.00 0.00 175.17 175.16 1j5i s VAL 34 N 1.26 3.78 0.00 1.11 1.01 0.24 -1.16 120.40 126.64 1j5i s VAL 34 Ca -0.04 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.65 1j5i s VAL 34 Cb -0.19 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1j5i s VAL 34 CO -0.03 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1j5i n GLY 35 N 1.54 0.88 3.39 4.51 0.00 0.15 0.00 105.19 115.65 1j5i n GLY 35 Ca -0.00 -0.42 -0.45 0.00 0.00 0.00 0.00 46.02 45.15 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 3.27 0.32 1.61 -0.21 -1.26 -1.41 119.66 119.98 1j5i s GLN 36 Ca 0.00 -1.60 0.08 0.00 0.02 0.00 0.00 55.36 53.86 1j5i s GLN 36 Cb 0.00 -4.44 -0.03 0.00 1.00 0.00 0.00 33.01 29.54 1j5i s GLN 36 CO 0.00 -1.57 0.24 0.00 -2.12 0.00 0.00 175.29 171.84 1j5i n ALA 38 N -1.29 0.00 -2.36 0.00 0.00 -0.65 -1.26 120.51 114.95 1j5i n ALA 38 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 1j5i n ALA 38 Cb 0.60 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 1j5i n ALA 38 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1j5i s TRP 39 N -2.00 2.68 -0.13 0.00 -2.14 -1.26 -1.31 118.94 114.78 1j5i s TRP 39 Ca 0.00 0.87 0.05 0.00 2.66 0.00 0.00 56.10 59.68 1j5i s TRP 39 Cb 0.00 -3.65 -0.11 0.00 -3.10 0.00 0.00 33.47 26.61 1j5i s TRP 39 CO 0.00 -2.01 -0.07 1.55 -2.66 0.00 0.00 176.95 173.77 1j5i n VAL 40 N 5.60 0.83 -2.29 -0.66 3.14 -0.70 -4.51 118.33 119.73 1j5i n VAL 40 Ca 0.15 -0.39 -0.13 0.00 -2.96 0.00 0.00 64.34 61.00 1j5i n VAL 40 Cb 0.45 -0.90 0.07 0.00 -1.06 0.00 0.00 33.84 32.41 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 -2.74 0.64 -4.48 6.55 4.64 -1.18 -4.80 116.55 115.18 1j5i n ASP 41 Ca -0.23 -1.57 -0.13 0.00 -1.38 0.00 0.00 54.79 51.48 1j5i n ASP 41 Cb 0.82 -0.39 -0.10 0.00 -1.04 0.00 0.00 41.12 40.40 1j5i n ASP 41 CO 0.00 0.00 0.00 0.41 -0.82 0.00 0.00 177.20 176.79 1j5i n THR 42 N -2.34 0.00 -1.49 5.18 -1.04 -1.26 -1.86 114.28 111.47 1j5i n THR 42 Ca 0.09 -0.31 -0.17 0.00 -2.04 0.00 0.00 64.05 61.62 1j5i n THR 42 Cb 0.33 -1.45 -0.07 0.00 -1.82 0.00 0.00 70.33 67.32 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 6.06 1.60 3.64 3.41 0.00 -1.26 -4.93 105.19 113.71 1j5i n GLY 43 Ca 0.41 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.42 5.15 -0.39 1.61 1.01 -0.78 -5.00 120.40 119.59 1j5i s VAL 44 Ca 0.00 0.74 -0.29 0.00 0.00 0.00 0.00 61.98 62.43 1j5i s VAL 44 Cb 0.00 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.64 1j5i s VAL 44 CO 0.00 0.18 1.26 -0.22 0.00 0.00 0.00 175.10 176.32 1j5i s LEU 45 N 1.76 3.72 -0.01 3.92 2.96 -1.26 -1.72 118.68 128.05 1j5i s LEU 45 Ca 0.19 0.85 0.06 0.00 -0.22 0.00 0.00 54.13 55.01 1j5i s LEU 45 Cb -0.15 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 1j5i s LEU 45 CO 0.09 -1.22 -0.19 0.00 -1.32 0.00 0.00 176.35 173.71 1j5i s ALA 46 N 4.64 1.61 0.10 5.97 0.00 -0.42 -2.85 121.76 130.80 1j5i s ALA 46 Ca 0.54 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.70 1j5i s ALA 46 Cb -0.12 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1j5i s ALA 46 CO 0.28 0.39 -0.04 0.00 0.00 0.00 0.00 175.76 176.39 1j5i s ASN 48 N -2.34 4.44 0.00 0.00 0.02 -1.19 -0.66 114.94 115.21 1j5i s ASN 48 Ca 0.24 0.96 0.22 0.00 -1.02 0.00 0.00 52.86 53.26 1j5i s ASN 48 Cb -0.11 -1.56 0.95 0.00 0.02 0.00 0.00 41.25 40.55 1j5i s ASN 48 CO 0.17 -1.96 1.70 -0.81 0.02 0.00 0.00 177.10 176.22 1j5i n PRO 49 N -3.38 0.03 -0.49 -0.60 -0.04 -1.19 -2.12 135.00 127.21 1j5i n PRO 49 Ca 0.07 0.12 0.08 0.00 -0.04 0.00 0.00 63.50 63.73 1j5i n PRO 49 Cb 0.59 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.48 2.96 1.30 0.55 0.00 -1.26 -4.32 120.51 118.27 1j5i n ALA 50 Ca 0.06 -1.85 0.08 0.00 0.00 0.00 0.00 53.44 51.73 1j5i n ALA 50 Cb 0.25 -0.77 0.31 0.00 0.00 0.00 0.00 19.45 19.24 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 0.23 1.36 -4.19 0.00 2.03 -0.90 -4.43 116.55 110.65 1j5i n ASP 51 Ca 0.21 -1.77 -0.40 0.00 0.52 0.00 0.00 54.79 53.35 1j5i n ASP 51 Cb 0.83 -0.12 -0.08 0.00 -0.72 0.00 0.00 41.12 41.04 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 -1.77 3.48 -0.43 -0.67 0.08 -1.21 -2.94 117.98 114.53 1j5i s PHE 52 Ca 0.27 -2.15 0.05 0.00 0.12 0.00 0.00 56.93 55.21 1j5i s PHE 52 Cb 0.14 -3.44 0.17 0.00 -0.57 0.00 0.00 43.02 39.32 1j5i s PHE 52 CO 0.21 -0.96 0.48 0.45 -0.10 0.00 0.00 175.22 175.31 1j5i s SER 53 N 2.04 0.30 0.30 1.36 0.15 0.10 -4.95 113.70 112.99 1j5i s SER 53 Ca 0.10 -1.98 -0.22 0.00 0.70 0.00 0.00 55.95 54.55 1j5i s SER 53 Cb -0.22 0.77 -0.15 0.00 -1.71 0.00 0.00 66.02 64.70 1j5i s SER 53 CO -0.03 -0.17 0.24 -1.54 1.20 0.00 0.00 173.24 172.94 1j5i n SER 54 N 3.50 -2.05 -3.59 5.45 3.41 -1.26 -0.59 113.62 118.49 1j5i n SER 54 Ca 0.18 0.87 -0.14 0.00 -0.26 0.00 0.00 58.87 59.52 1j5i n SER 54 Cb 0.50 -0.84 -0.06 0.00 -0.26 0.00 0.00 64.21 63.55 1j5i n SER 54 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1j5i s VAL 55 N -1.30 0.03 0.00 -3.33 1.01 0.13 -4.64 120.40 112.30 1j5i s VAL 55 Ca 0.57 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1j5i s VAL 55 Cb -0.70 -0.94 -0.00 0.00 0.00 0.00 0.00 36.38 34.74 1j5i s VAL 55 CO 0.55 -0.14 -0.02 0.28 0.00 0.00 0.00 175.10 175.78 1j5i s THR 56 N -2.10 0.10 -0.05 3.92 -1.32 -1.26 0.57 115.64 115.50 1j5i s THR 56 Ca -0.07 -0.20 -0.01 0.00 -1.21 0.00 0.00 61.69 60.20 1j5i s THR 56 Cb -0.01 -0.12 -0.04 0.00 -1.51 0.00 0.00 72.50 70.82 1j5i s THR 56 CO 0.01 -0.06 0.03 0.00 -2.21 0.00 0.00 174.62 172.39 1j5i s ALA 57 N -0.26 3.41 0.80 11.08 0.00 -0.65 -4.43 121.76 131.71 1j5i s ALA 57 Ca -0.02 -0.85 -0.12 0.00 0.00 0.00 0.00 51.96 50.97 1j5i s ALA 57 Cb -0.02 -1.51 0.08 0.00 0.00 0.00 0.00 23.12 21.67 1j5i s ALA 57 CO -0.00 0.63 1.14 -0.51 0.00 0.00 0.00 175.76 177.02 1j5i s ASP 58 N -1.29 3.92 0.58 0.00 -0.00 0.15 -1.21 116.67 118.82 1j5i s ASP 58 Ca 0.17 2.10 0.40 0.00 -0.00 0.00 0.00 52.55 55.22 1j5i s ASP 58 Cb -0.12 -2.56 1.42 0.00 -0.00 0.00 0.00 42.92 41.67 1j5i s ASP 58 CO 0.07 -2.43 1.52 0.00 -0.00 0.00 0.00 175.17 174.33 1j5i h ALA 59 N -1.07 3.40 -0.38 5.23 0.00 -1.86 2.79 119.26 127.36 1j5i h ALA 59 Ca -0.45 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.19 1j5i h ALA 59 Cb 1.26 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 19.05 1j5i h ALA 59 CO 0.48 -2.01 0.28 -1.71 0.00 0.00 0.00 179.25 176.29 1j5i n ASN 60 N -3.71 4.25 -4.37 0.00 5.15 -1.26 -4.27 115.26 111.05 1j5i n ASN 60 Ca 0.33 -2.72 -0.38 0.00 -0.60 0.00 0.00 54.58 51.21 1j5i n ASN 60 Cb 1.70 -0.77 -0.06 0.00 -0.53 0.00 0.00 39.78 40.12 1j5i n ASN 60 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1j5i n GLY 61 N 0.09 -0.38 3.22 8.20 0.00 0.93 -4.41 105.19 112.85 1j5i n GLY 61 Ca 0.23 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.44 5.75 -0.99 1.61 0.01 -0.96 0.41 113.70 116.09 1j5i s SER 62 Ca 0.68 -1.89 -0.08 0.00 1.31 0.00 0.00 55.95 55.97 1j5i s SER 62 Cb -0.38 -2.03 0.25 0.00 0.21 0.00 0.00 66.02 64.06 1j5i s SER 62 CO 0.98 -0.71 0.94 0.00 0.41 0.00 0.00 173.24 174.87 1j5i s ALA 63 N 1.39 4.46 -1.13 1.44 0.00 0.44 0.35 121.76 128.70 1j5i s ALA 63 Ca 0.05 -3.73 -0.16 0.00 0.00 0.00 0.00 51.96 48.13 1j5i s ALA 63 Cb -0.27 -3.35 0.15 0.00 0.00 0.00 0.00 23.12 19.66 1j5i s ALA 63 CO -0.00 -2.20 1.37 -1.54 0.00 0.00 0.00 175.76 173.39 1j5i s SER 64 N 1.10 6.92 0.30 0.00 1.04 -1.26 0.37 113.70 122.17 1j5i s SER 64 Ca 0.27 -2.66 0.08 0.00 0.48 0.00 0.00 55.95 54.12 1j5i s SER 64 Cb -0.10 -2.42 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 1j5i s SER 64 CO -0.09 -0.88 0.23 0.28 0.98 0.00 0.00 173.24 173.76 1j5i s THR 65 N 2.13 3.80 -0.02 2.02 -1.32 -0.40 -4.96 115.64 116.88 1j5i s THR 65 Ca 0.41 -1.44 0.01 0.00 -1.21 0.00 0.00 61.69 59.46 1j5i s THR 65 Cb -0.03 -3.22 0.01 0.00 -1.51 0.00 0.00 72.50 67.75 1j5i s THR 65 CO -0.02 -0.25 -0.05 -0.94 -2.21 0.00 0.00 174.62 171.15 1j5i s SER 66 N -3.91 0.74 0.30 8.08 1.04 -1.26 0.97 113.70 119.66 1j5i s SER 66 Ca 0.37 -0.10 -0.18 0.00 0.48 0.00 0.00 55.95 56.52 1j5i s SER 66 Cb -0.06 -0.24 0.02 0.00 0.10 0.00 0.00 66.02 65.84 1j5i s SER 66 CO 0.25 -0.00 0.70 -0.22 0.98 0.00 0.00 173.24 174.95 1j5i s LEU 67 N 0.43 -0.10 -0.08 2.42 1.98 -0.53 -4.96 118.68 117.85 1j5i s LEU 67 Ca -0.05 -0.79 -0.02 0.00 -2.89 0.00 0.00 54.13 50.38 1j5i s LEU 67 Cb -0.09 2.61 -0.03 0.00 0.66 0.00 0.00 46.19 49.34 1j5i s LEU 67 CO -0.00 -1.40 0.02 0.28 -1.89 0.00 0.00 176.35 173.36 1j5i s THR 68 N -3.54 4.44 -1.01 3.68 -1.32 -1.26 -0.70 115.64 115.93 1j5i s THR 68 Ca 0.14 -0.24 -0.18 0.00 -1.21 0.00 0.00 61.69 60.19 1j5i s THR 68 Cb -0.05 -2.89 0.13 0.00 -1.51 0.00 0.00 72.50 68.17 1j5i s THR 68 CO 0.09 0.57 1.25 -0.69 -2.21 0.00 0.00 174.62 173.63 1j5i s VAL 69 N -0.94 4.69 -1.34 5.08 1.01 0.22 -4.71 120.40 124.42 1j5i s VAL 69 Ca 0.15 -1.74 -0.08 0.00 0.00 0.00 0.00 61.98 60.31 1j5i s VAL 69 Cb -0.11 -4.85 0.12 0.00 0.00 0.00 0.00 36.38 31.53 1j5i s VAL 69 CO 0.04 -1.59 2.18 0.54 0.00 0.00 0.00 175.10 176.27 1j5i n ARG 70 N 6.65 3.94 -0.58 2.72 1.74 -1.26 0.83 116.66 130.71 1j5i n ARG 70 Ca 0.29 -3.33 0.46 0.00 -0.77 0.00 0.00 57.85 54.50 1j5i n ARG 70 Cb 0.48 -2.83 0.71 0.00 -1.02 0.00 0.00 32.46 29.80 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 3.18 0.00 -3.50 5.56 0.63 -1.26 -4.06 116.66 117.22 1j5i n ARG 71 Ca 0.52 1.03 -0.38 0.00 -0.92 0.00 0.00 57.85 58.11 1j5i n ARG 71 Cb 0.31 -2.42 -0.06 0.00 0.45 0.00 0.00 32.46 30.74 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 -3.76 6.72 0.00 6.15 0.01 -1.25 -0.34 113.70 121.22 1j5i s SER 72 Ca -0.04 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.07 1j5i s SER 72 Cb 0.23 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 64.22 1j5i s SER 72 CO 0.77 0.25 0.00 2.22 0.41 0.00 0.00 173.24 176.89 1j5i n PHE 73 N 2.35 0.00 -3.09 2.43 1.16 0.58 -4.87 117.46 116.02 1j5i n PHE 73 Ca -0.13 0.00 -0.44 0.00 -1.87 0.00 0.00 57.45 55.01 1j5i n PHE 73 Cb 0.52 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.34 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 3.13 0.74 3.97 2.56 -1.26 0.00 118.70 125.83 1j5i s GLU 74 Ca 0.00 -0.91 -0.11 0.00 0.00 0.00 0.00 54.97 53.95 1j5i s GLU 74 Cb 0.00 -4.14 0.04 0.00 2.00 0.00 0.00 34.13 32.03 1j5i s GLU 74 CO 0.00 -1.36 1.12 0.20 -0.56 0.00 0.00 175.26 174.65 1j5i s GLY 75 N 2.98 1.62 -0.04 -1.50 0.00 -0.92 -3.20 107.32 106.26 1j5i s GLY 75 Ca 0.17 -0.47 -0.09 0.00 0.00 0.00 0.00 44.72 44.33 1j5i s GLY 75 CO 0.11 -0.06 0.21 -1.36 0.00 0.00 0.00 173.10 172.00 1j5i s PHE 76 N -3.42 -0.13 0.14 1.90 0.08 0.16 0.16 117.98 116.88 1j5i s PHE 76 Ca 0.59 0.27 -0.13 0.00 0.12 0.00 0.00 56.93 57.78 1j5i s PHE 76 Cb -0.11 0.04 -0.07 0.00 -0.57 0.00 0.00 43.02 42.31 1j5i s PHE 76 CO 0.50 -0.24 0.52 -0.51 -0.10 0.00 0.00 175.22 175.39 1j5i s LEU 77 N -0.73 4.31 0.06 -0.37 1.02 -0.63 -0.56 118.68 121.78 1j5i s LEU 77 Ca -0.08 0.99 0.27 0.00 0.02 0.00 0.00 54.13 55.32 1j5i s LEU 77 Cb -0.05 -3.27 0.83 0.00 0.02 0.00 0.00 46.19 43.72 1j5i s LEU 77 CO 0.02 0.09 1.67 2.22 0.02 0.00 0.00 176.35 180.37 1j5i n PHE 78 N 0.68 0.27 -0.01 0.29 -1.74 -1.13 -3.61 117.46 112.21 1j5i n PHE 78 Ca -0.05 0.08 -0.17 0.00 -0.56 0.00 0.00 57.45 56.75 1j5i n PHE 78 Cb 0.52 -0.54 -0.10 0.00 1.52 0.00 0.00 39.48 40.88 1j5i n PHE 78 CO 0.00 0.00 0.00 -0.44 -0.56 0.00 0.00 176.76 175.76 1j5i h ASP 79 N 0.00 0.65 0.00 5.98 3.32 -1.94 -3.47 116.42 120.96 1j5i h ASP 79 Ca 0.00 -0.70 0.00 0.00 0.02 0.00 0.00 57.03 56.35 1j5i h ASP 79 Cb 0.58 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1j5i h ASP 79 CO 0.00 1.25 0.00 0.61 -1.72 0.00 0.00 179.24 179.38 1j5i n GLY 80 N 0.89 0.50 3.82 2.75 0.00 -1.24 -5.15 105.19 106.76 1j5i n GLY 80 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 2.33 -0.04 2.61 2.01 -1.26 -4.91 115.64 116.38 1j5i s THR 81 Ca 0.00 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.12 1j5i s THR 81 Cb 0.00 -2.91 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 1j5i s THR 81 CO 0.00 -0.14 -0.04 0.00 -0.69 0.00 0.00 174.62 173.75 1j5i s ARG 82 N -5.31 2.74 0.00 4.92 1.70 -1.26 -1.61 118.95 120.13 1j5i s ARG 82 Ca 0.62 -0.58 0.00 0.00 -0.47 0.00 0.00 55.73 55.30 1j5i s ARG 82 Cb -0.14 -2.61 0.00 0.00 -0.57 0.00 0.00 34.95 31.63 1j5i s ARG 82 CO 0.53 0.65 0.00 1.87 -1.08 0.00 0.00 175.30 177.26 1j5i n TRP 83 N 1.87 0.00 0.00 5.89 -0.00 -0.84 -4.77 117.44 119.60 1j5i n TRP 83 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.33 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 2.81 1.76 4.30 5.87 0.00 0.43 -4.72 105.19 115.63 1j5i n GLY 84 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.17 114.28 112.42 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 -3.53 12.58 0.31 0.10 -4.91 118.33 122.89 1j5i n VAL 86 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 1j5i n VAL 86 Cb 0.00 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 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 -2.15 1.38 -1.25 4.52 2.15 -1.26 -0.31 116.67 119.76 1j5i s ASP 87 Ca 0.00 -0.18 -0.07 0.00 0.43 0.00 0.00 52.55 52.73 1j5i s ASP 87 Cb 0.00 0.32 0.18 0.00 -0.30 0.00 0.00 42.92 43.12 1j5i s ASP 87 CO 0.00 -0.32 1.97 0.00 -0.17 0.00 0.00 175.17 176.65 1j5i n THR 89 N 2.36 0.00 -0.09 0.00 5.66 -1.26 -4.58 114.28 116.37 1j5i n THR 89 Ca 0.45 -0.26 -0.13 0.00 -3.05 0.00 0.00 64.05 61.05 1j5i n THR 89 Cb 0.32 0.51 -0.07 0.00 -1.55 0.00 0.00 70.33 69.54 1j5i n THR 89 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1j5i h THR 90 N 0.00 0.50 -3.34 1.09 1.03 -2.00 -3.47 112.91 106.72 1j5i h THR 90 Ca 0.00 -1.62 -0.51 0.00 -0.01 0.00 0.00 66.41 64.27 1j5i h THR 90 Cb 0.61 1.19 -0.00 0.00 -1.07 0.00 0.00 68.15 68.88 1j5i h THR 90 CO 0.00 0.17 -0.06 0.00 -0.01 0.00 0.00 175.52 175.62 1j5i s ALA 91 N -2.53 3.54 -0.28 0.00 0.00 -1.26 -5.05 121.76 116.19 1j5i s ALA 91 Ca -0.21 -0.48 -0.22 0.00 0.00 0.00 0.00 51.96 51.05 1j5i s ALA 91 Cb 0.04 -2.41 -0.01 0.00 0.00 0.00 0.00 23.12 20.73 1j5i s ALA 91 CO 0.41 0.13 0.70 0.00 0.00 0.00 0.00 175.76 177.00 1j5i s ALA 92 N -2.21 3.58 -0.19 0.00 0.00 -1.26 -4.88 121.76 116.80 1j5i s ALA 92 Ca 0.46 -0.43 -0.19 0.00 0.00 0.00 0.00 51.96 51.80 1j5i s ALA 92 Cb -0.11 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 1j5i s ALA 92 CO 0.31 -0.99 0.55 0.00 0.00 0.00 0.00 175.76 175.63 1j5i s GLN 94 N 1.66 3.75 -0.06 0.00 -2.07 -0.39 -0.92 119.66 121.63 1j5i s GLN 94 Ca 0.25 -0.44 -0.20 0.00 -1.82 0.00 0.00 55.36 53.15 1j5i s GLN 94 Cb -0.16 -3.28 -0.04 0.00 -1.09 0.00 0.00 33.01 28.44 1j5i s GLN 94 CO 0.10 -0.04 0.58 0.08 -1.32 0.00 0.00 175.29 174.69 1j5i s VAL 95 N 1.21 5.05 0.00 3.63 1.01 0.17 -0.39 120.40 131.07 1j5i s VAL 95 Ca 0.05 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.21 1j5i s VAL 95 Cb -0.14 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1j5i s VAL 95 CO 0.03 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1j5i n GLY 96 N 2.89 0.00 3.62 4.51 0.00 -0.50 -1.51 105.19 114.21 1j5i n GLY 96 Ca -0.06 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 1j5i n GLY 96 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1j5i s LEU 97 N 0.00 3.49 0.24 0.99 2.34 -1.26 0.32 118.68 124.80 1j5i s LEU 97 Ca 0.00 0.06 0.07 0.00 0.06 0.00 0.00 54.13 54.31 1j5i s LEU 97 Cb 0.00 -1.82 -0.04 0.00 -0.56 0.00 0.00 46.19 43.78 1j5i s LEU 97 CO 0.00 0.30 0.18 -0.94 -1.06 0.00 0.00 176.35 174.83 1j5i s SER 98 N -0.41 5.48 0.81 1.48 1.04 -0.31 -4.70 113.70 117.10 1j5i s SER 98 Ca 0.08 -0.24 -0.11 0.00 0.48 0.00 0.00 55.95 56.15 1j5i s SER 98 Cb -0.12 -1.39 0.08 0.00 0.10 0.00 0.00 66.02 64.69 1j5i s SER 98 CO 0.02 -0.02 1.09 -1.81 0.98 0.00 0.00 173.24 173.51 1j5i s ASP 99 N -3.70 4.14 0.00 7.02 -0.00 0.66 -1.67 116.67 123.12 1j5i s ASP 99 Ca 0.32 1.77 0.30 0.00 -0.00 0.00 0.00 52.55 54.94 1j5i s ASP 99 Cb -0.08 -2.44 1.41 0.00 -0.00 0.00 0.00 42.92 41.81 1j5i s ASP 99 CO 0.24 -2.26 1.98 0.00 -0.00 0.00 0.00 175.17 175.13 1j5i n ALA 100 N -3.66 2.62 -1.03 5.23 0.00 -1.26 -4.27 120.51 118.13 1j5i n ALA 100 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1j5i n ALA 100 Cb 0.53 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.13 0.00 -2.13 0.00 0.00 -1.26 -5.00 120.51 110.99 1j5i n ALA 101 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.58 1j5i n ALA 101 Cb 0.25 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.71 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 2.73 -0.55 3.34 0.00 0.00 -1.26 -5.16 105.19 104.29 1j5i n GLY 102 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.12 -0.00 0.00 1.61 0.01 -1.26 -5.05 114.94 110.13 1j5i s ASN 103 Ca 0.01 -0.74 0.00 0.00 -0.71 0.00 0.00 52.86 51.41 1j5i s ASN 103 Cb 0.03 0.44 0.00 0.00 0.41 0.00 0.00 41.25 42.13 1j5i s ASN 103 CO -0.01 -0.88 0.00 0.61 -1.51 0.00 0.00 177.10 175.31 1j5i n GLY 104 N -0.20 -1.69 0.00 0.66 0.00 -1.26 -0.25 105.19 102.45 1j5i n GLY 104 Ca -0.10 0.82 0.11 0.00 0.00 0.00 0.00 46.02 46.86 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 0.26 -2.56 1.61 -0.04 -1.26 -4.79 135.00 128.22 1j5i n PRO 105 Ca 0.00 0.08 -0.37 0.00 -0.04 0.00 0.00 63.50 63.18 1j5i n PRO 105 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 1j5i n PRO 105 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1j5i s GLU 106 N -2.64 4.20 0.00 0.54 8.01 -1.26 -4.98 118.70 122.56 1j5i s GLU 106 Ca 0.19 1.50 0.00 0.00 0.01 0.00 0.00 54.97 56.68 1j5i s GLU 106 Cb 0.15 -2.56 0.00 0.00 -4.31 0.00 0.00 34.13 27.40 1j5i s GLU 106 CO 0.35 -0.11 0.00 0.41 0.01 0.00 0.00 175.26 175.92 1j5i n GLY 107 N 0.35 4.13 3.64 -1.39 0.00 -1.26 -4.55 105.19 106.11 1j5i n GLY 107 Ca 0.05 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.06 4.43 -0.79 1.61 0.11 -0.57 -4.81 120.40 120.32 1j5i s VAL 108 Ca 0.00 -0.18 -0.25 0.00 -2.93 0.00 0.00 61.98 58.62 1j5i s VAL 108 Cb 0.00 -2.93 -0.04 0.00 -1.53 0.00 0.00 36.38 31.89 1j5i s VAL 108 CO 0.00 0.54 1.91 0.00 -3.33 0.00 0.00 175.10 174.22 1j5i s ALA 109 N -0.23 1.86 -0.02 1.54 0.00 -1.26 -0.65 121.76 123.00 1j5i s ALA 109 Ca 0.06 -1.17 -0.02 0.00 0.00 0.00 0.00 51.96 50.83 1j5i s ALA 109 Cb -0.12 -4.46 -0.04 0.00 0.00 0.00 0.00 23.12 18.50 1j5i s ALA 109 CO 0.02 -4.45 0.11 -1.50 0.00 0.00 0.00 175.76 169.94 1j5i s ILE 110 N 9.68 5.00 0.00 0.00 1.10 -0.09 -4.74 121.20 132.14 1j5i s ILE 110 Ca 0.69 -0.27 0.00 0.00 -0.51 0.00 0.00 60.65 60.56 1j5i s ILE 110 Cb -0.09 -3.29 0.00 0.00 0.15 0.00 0.00 42.46 39.23 1j5i s ILE 110 CO 0.08 0.37 0.00 -0.24 -2.11 0.00 0.00 174.94 173.04 1j5i n SER 111 N 1.21 0.00 -3.63 4.50 2.88 -0.83 -4.15 113.62 113.61 1j5i n SER 111 Ca -0.13 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.40 1j5i n SER 111 Cb 0.53 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1j5i n SER 111 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1j5i s PHE 112 N 0.00 -0.04 -2.00 0.66 5.36 -1.24 -1.56 117.98 119.16 1j5i s PHE 112 Ca 0.00 -0.20 0.17 0.00 -0.96 0.00 0.00 56.93 55.94 1j5i s PHE 112 Cb 0.00 0.61 1.02 0.00 -0.34 0.00 0.00 43.02 44.31 1j5i s PHE 112 CO 0.00 -0.61 1.42 0.09 -1.46 0.00 0.00 175.22 174.66