#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5i n ALA 2 N 0.00 -2.56 -1.30 0.00 0.00 -1.26 -5.03 120.51 110.36 1j5i n ALA 2 Ca 0.00 0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.67 1j5i n ALA 2 Cb 0.00 -1.85 0.14 0.00 0.00 0.00 0.00 19.45 17.74 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 -1.11 -1.52 0.00 0.00 -0.04 -1.26 -4.74 135.00 126.33 1j5i n PRO 3 Ca 0.04 -1.15 0.00 0.00 -0.04 0.00 0.00 63.50 62.34 1j5i n PRO 3 Cb 0.44 -0.91 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 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 -3.51 0.00 -1.98 0.52 -2.24 -0.97 -4.51 114.28 101.58 1j5i n THR 4 Ca 0.10 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.45 1j5i n THR 4 Cb 0.35 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.56 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 -1.98 3.56 -0.00 6.98 0.00 -1.23 -3.10 121.76 125.99 1j5i s ALA 5 Ca 0.00 0.92 -0.02 0.00 0.00 0.00 0.00 51.96 52.86 1j5i s ALA 5 Cb 0.00 -3.77 -0.00 0.00 0.00 0.00 0.00 23.12 19.35 1j5i s ALA 5 CO 0.00 -1.49 0.04 0.95 0.00 0.00 0.00 175.76 175.26 1j5i s THR 6 N 4.27 0.05 0.13 0.00 -4.23 0.03 -4.34 115.64 111.55 1j5i s THR 6 Ca 0.75 -0.41 -0.26 0.00 -1.18 0.00 0.00 61.69 60.59 1j5i s THR 6 Cb -0.33 -0.20 -0.07 0.00 1.34 0.00 0.00 72.50 73.24 1j5i s THR 6 CO 0.30 -0.22 0.81 -0.69 -0.54 0.00 0.00 174.62 174.28 1j5i s VAL 7 N -0.68 4.46 0.18 2.29 1.01 -1.26 -1.80 120.40 124.59 1j5i s VAL 7 Ca -0.08 1.75 -0.14 0.00 0.00 0.00 0.00 61.98 63.52 1j5i s VAL 7 Cb -0.05 -4.17 0.19 0.00 0.00 0.00 0.00 36.38 32.36 1j5i s VAL 7 CO -0.00 0.46 1.21 0.41 0.00 0.00 0.00 175.10 177.18 1j5i n THR 8 N 2.05 -0.41 0.00 3.92 -1.04 -0.28 -4.37 114.28 114.15 1j5i n THR 8 Ca -0.04 1.83 0.00 0.00 -2.04 0.00 0.00 64.05 63.80 1j5i n THR 8 Cb 0.49 -2.42 0.00 0.00 -1.82 0.00 0.00 70.33 66.58 1j5i n THR 8 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1j5i n PRO 9 N -5.15 1.50 0.04 -2.82 -0.04 -1.26 -5.08 135.00 122.19 1j5i n PRO 9 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1j5i n PRO 9 Cb 0.31 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.77 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 -0.29 -3.94 3.54 3.41 -1.26 -5.03 113.62 110.05 1j5i n SER 10 Ca 0.00 0.13 -0.26 0.00 -0.26 0.00 0.00 58.87 58.48 1j5i n SER 10 Cb 0.00 0.42 -0.07 0.00 -0.26 0.00 0.00 64.21 64.29 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 -2.71 1.39 -3.50 4.04 7.64 -1.26 -1.57 113.62 117.65 1j5i n SER 11 Ca 0.00 -3.18 -0.19 0.00 1.01 0.00 0.00 58.87 56.51 1j5i n SER 11 Cb 0.00 0.99 0.06 0.00 -1.01 0.00 0.00 64.21 64.25 1j5i n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j5i n GLY 12 N -0.83 -0.55 3.56 0.23 0.00 0.60 -4.81 105.19 103.39 1j5i n GLY 12 Ca -0.07 0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1j5i n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j5i n LEU 13 N -3.99 0.00 -4.24 0.99 4.77 -0.89 -5.02 117.00 108.62 1j5i n LEU 13 Ca -0.23 -1.84 -0.23 0.00 -0.03 0.00 0.00 56.01 53.68 1j5i n LEU 13 Cb 0.66 -0.65 -0.13 0.00 -2.33 0.00 0.00 43.42 40.97 1j5i n LEU 13 CO 0.63 -1.02 -0.50 -0.55 -1.33 0.00 0.00 177.39 174.62 1j5i s SER 14 N -4.86 2.28 -0.90 -1.43 0.15 -1.26 -5.00 113.70 102.68 1j5i s SER 14 Ca 0.62 -0.62 -0.22 0.00 0.70 0.00 0.00 55.95 56.43 1j5i s SER 14 Cb -0.03 -0.13 -0.20 0.00 -1.71 0.00 0.00 66.02 63.95 1j5i s SER 14 CO 0.42 0.05 1.93 -0.67 1.20 0.00 0.00 173.24 176.17 1j5i n ASP 15 N 1.35 0.75 0.00 5.45 4.64 -1.26 -0.23 116.55 127.25 1j5i n ASP 15 Ca -0.19 -2.28 0.00 0.00 -1.38 0.00 0.00 54.79 50.94 1j5i n ASP 15 Cb 0.54 -1.54 0.00 0.00 -1.04 0.00 0.00 41.12 39.08 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1j5i n GLY 16 N 5.87 1.00 3.58 0.27 0.00 -0.61 -4.83 105.19 110.47 1j5i n GLY 16 Ca 0.34 0.00 -0.42 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 -1.84 4.09 -0.15 2.61 2.01 0.68 -4.67 115.64 118.37 1j5i s THR 17 Ca 0.00 0.98 -0.28 0.00 0.31 0.00 0.00 61.69 62.70 1j5i s THR 17 Cb 0.00 -4.68 -0.01 0.00 0.01 0.00 0.00 72.50 67.82 1j5i s THR 17 CO 0.00 -1.23 0.94 -0.69 -0.69 0.00 0.00 174.62 172.96 1j5i s VAL 18 N 4.75 4.80 0.36 3.82 1.01 -1.26 0.12 120.40 134.01 1j5i s VAL 18 Ca 0.44 1.88 -0.06 0.00 0.00 0.00 0.00 61.98 64.24 1j5i s VAL 18 Cb -0.07 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.08 1j5i s VAL 18 CO 0.27 -0.02 0.57 0.68 0.00 0.00 0.00 175.10 176.60 1j5i s VAL 19 N 2.27 0.00 -0.14 2.92 -7.23 -0.07 -4.97 120.40 113.18 1j5i s VAL 19 Ca 0.44 -1.43 -0.08 0.00 -1.81 0.00 0.00 61.98 59.10 1j5i s VAL 19 Cb -0.17 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 1j5i s VAL 19 CO 0.14 0.00 0.14 -1.59 -0.31 0.00 0.00 175.10 173.48 1j5i s LYS 20 N -2.81 3.63 -0.38 4.82 0.00 -1.26 -1.21 119.74 122.53 1j5i s LYS 20 Ca 0.26 -0.14 -0.00 0.00 0.00 0.00 0.00 55.97 56.09 1j5i s LYS 20 Cb -0.02 -3.25 0.10 0.00 0.00 0.00 0.00 37.83 34.67 1j5i s LYS 20 CO 0.18 0.66 0.14 0.08 0.00 0.00 0.00 175.35 176.41 1j5i s VAL 21 N -0.70 2.89 -0.13 1.79 1.01 0.22 -1.12 120.40 124.36 1j5i s VAL 21 Ca 0.14 -2.15 -0.19 0.00 0.00 0.00 0.00 61.98 59.78 1j5i s VAL 21 Cb -0.12 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 1j5i s VAL 21 CO 0.03 -0.64 0.52 0.00 0.00 0.00 0.00 175.10 175.01 1j5i s ALA 22 N 1.05 3.47 -0.43 5.51 0.00 -0.75 -0.90 121.76 129.71 1j5i s ALA 22 Ca 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 51.96 51.86 1j5i s ALA 22 Cb -0.21 -2.72 0.12 0.00 0.00 0.00 0.00 23.12 20.30 1j5i s ALA 22 CO -0.06 -0.10 0.20 0.20 0.00 0.00 0.00 175.76 176.01 1j5i s GLY 23 N 0.74 2.09 -0.33 0.00 0.00 0.16 -0.79 107.32 109.19 1j5i s GLY 23 Ca 0.27 -2.71 -0.17 0.00 0.00 0.00 0.00 44.72 42.11 1j5i s GLY 23 CO 0.11 1.01 0.47 0.00 0.00 0.00 0.00 173.10 174.69 1j5i s ALA 24 N 0.78 3.50 0.00 3.20 0.00 -1.18 -0.67 121.76 127.39 1j5i s ALA 24 Ca 0.11 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1j5i s ALA 24 Cb -0.22 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1j5i s ALA 24 CO -0.05 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.03 1j5i n GLY 25 N 4.79 0.58 0.00 0.00 0.00 0.21 -2.28 105.19 108.49 1j5i n GLY 25 Ca -0.06 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.51 0.99 0.00 -0.28 -4.76 117.00 108.44 1j5i n LEU 26 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 56.01 55.82 1j5i n LEU 26 Cb 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 43.42 43.24 1j5i n LEU 26 CO 0.00 0.00 1.80 0.00 0.00 0.00 0.00 177.39 179.19 1j5i n GLN 27 N 0.00 0.17 -1.55 1.96 1.13 -1.26 -4.46 117.38 113.37 1j5i n GLN 27 Ca 0.00 -0.27 -0.13 0.00 -1.94 0.00 0.00 57.00 54.66 1j5i n GLN 27 Cb 0.00 -1.84 -0.10 0.00 0.11 0.00 0.00 30.24 28.41 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 9.59 0.27 -0.97 -1.58 0.00 -1.26 -1.55 120.51 125.01 1j5i n ALA 28 Ca 0.61 -1.84 0.00 0.00 0.00 0.00 0.00 53.44 52.20 1j5i n ALA 28 Cb 0.23 -3.22 0.00 0.00 0.00 0.00 0.00 19.45 16.47 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 6.34 0.46 3.35 0.00 0.00 -0.47 -4.74 105.19 110.14 1j5i n GLY 29 Ca 0.43 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.57 0.00 -3.64 2.61 -1.04 -0.59 -4.81 114.28 104.23 1j5i n THR 30 Ca 0.00 -1.31 -0.24 0.00 -2.04 0.00 0.00 64.05 60.46 1j5i n THR 30 Cb 0.10 -1.02 -0.17 0.00 -1.82 0.00 0.00 70.33 67.41 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 -3.21 0.40 0.07 2.41 0.00 -1.26 -1.75 121.76 118.42 1j5i s ALA 31 Ca 0.58 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1j5i s ALA 31 Cb -0.03 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.19 1j5i s ALA 31 CO 0.39 -0.93 0.02 0.66 0.00 0.00 0.00 175.76 175.90 1j5i n TYR 32 N 5.27 -0.49 -3.73 0.00 4.02 0.16 -4.56 117.16 117.82 1j5i n TYR 32 Ca -0.06 -0.32 -0.38 0.00 -0.01 0.00 0.00 57.90 57.13 1j5i n TYR 32 Cb 0.49 -0.05 -0.12 0.00 -0.02 0.00 0.00 39.34 39.64 1j5i n TYR 32 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1j5i s ASP 33 N -1.39 5.37 0.22 7.72 1.11 0.47 0.26 116.67 130.43 1j5i s ASP 33 Ca 0.02 -1.19 -0.30 0.00 0.18 0.00 0.00 52.55 51.26 1j5i s ASP 33 Cb -0.00 -1.89 -0.09 0.00 1.07 0.00 0.00 42.92 42.02 1j5i s ASP 33 CO 0.01 -0.35 1.14 -0.69 1.18 0.00 0.00 175.17 176.45 1j5i s VAL 34 N 1.41 3.60 0.00 -1.27 1.01 -0.28 -0.39 120.40 124.47 1j5i s VAL 34 Ca -0.01 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.42 1j5i s VAL 34 Cb -0.20 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1j5i s VAL 34 CO 0.03 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1j5i n GLY 35 N 1.75 1.25 3.37 4.51 0.00 0.42 -0.39 105.19 116.11 1j5i n GLY 35 Ca 0.02 -0.68 -0.46 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 3.41 0.32 1.61 -0.21 -1.26 -0.86 119.66 120.68 1j5i s GLN 36 Ca 0.00 -1.93 0.08 0.00 0.02 0.00 0.00 55.36 53.52 1j5i s GLN 36 Cb 0.00 -4.50 -0.03 0.00 1.00 0.00 0.00 33.01 29.48 1j5i s GLN 36 CO 0.00 -1.48 0.26 0.00 -2.12 0.00 0.00 175.29 171.95 1j5i n ALA 38 N -1.32 0.00 -1.90 0.00 0.00 -0.41 -1.12 120.51 115.76 1j5i n ALA 38 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.02 1j5i n ALA 38 Cb 0.60 0.00 -0.03 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 1.54 -0.16 0.00 -2.14 -1.26 -1.50 118.94 113.42 1j5i s TRP 39 Ca 0.00 0.92 -0.18 0.00 2.66 0.00 0.00 56.10 59.50 1j5i s TRP 39 Cb 0.00 -3.98 -0.15 0.00 -3.10 0.00 0.00 33.47 26.24 1j5i s TRP 39 CO 0.00 -2.58 0.27 -0.39 -2.66 0.00 0.00 176.95 171.59 1j5i h VAL 40 N 7.06 0.86 -2.54 -0.66 -1.51 -1.50 -3.43 116.25 114.52 1j5i h VAL 40 Ca -0.28 -1.83 0.00 0.00 -1.23 0.00 0.00 66.70 63.36 1j5i h VAL 40 Cb 1.19 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 32.15 1j5i h VAL 40 CO 1.15 0.29 0.00 -0.67 -1.23 0.00 0.00 177.57 177.11 1j5i n ASP 41 N -4.57 0.00 -4.56 4.19 4.64 -1.09 -4.85 116.55 110.31 1j5i n ASP 41 Ca -0.16 -0.51 -0.38 0.00 -1.38 0.00 0.00 54.79 52.35 1j5i n ASP 41 Cb 0.44 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.49 1j5i n ASP 41 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 1j5i s THR 42 N 0.51 3.68 -0.46 5.18 2.01 -1.26 -3.26 115.64 122.04 1j5i s THR 42 Ca 0.00 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 61.82 1j5i s THR 42 Cb 0.00 -4.63 0.00 0.00 0.01 0.00 0.00 72.50 67.88 1j5i s THR 42 CO 0.00 -1.56 0.00 0.61 -0.69 0.00 0.00 174.62 172.98 1j5i n GLY 43 N 6.23 0.65 3.34 4.40 0.00 -1.26 -4.97 105.19 113.58 1j5i n GLY 43 Ca 0.23 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1j5i n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j5i s VAL 44 N -1.89 4.52 -0.46 1.61 1.01 -1.20 -5.04 120.40 118.94 1j5i s VAL 44 Ca 0.00 -1.06 -0.29 0.00 0.00 0.00 0.00 61.98 60.63 1j5i s VAL 44 Cb 0.00 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.79 1j5i s VAL 44 CO 0.00 -0.36 1.20 -0.76 0.00 0.00 0.00 175.10 175.19 1j5i s LEU 45 N 1.52 3.62 0.29 3.92 1.43 -1.26 -1.46 118.68 126.74 1j5i s LEU 45 Ca 0.02 0.55 0.05 0.00 -1.03 0.00 0.00 54.13 53.72 1j5i s LEU 45 Cb -0.21 -3.55 -0.06 0.00 0.03 0.00 0.00 46.19 42.40 1j5i s LEU 45 CO 0.05 -1.30 -0.02 0.00 0.23 0.00 0.00 176.35 175.31 1j5i s ALA 46 N 4.70 2.32 0.04 4.21 0.00 -0.56 -2.96 121.76 129.50 1j5i s ALA 46 Ca 0.51 -1.94 0.06 0.00 0.00 0.00 0.00 51.96 50.59 1j5i s ALA 46 Cb -0.09 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 1j5i s ALA 46 CO 0.32 -0.16 -0.17 0.00 0.00 0.00 0.00 175.76 175.75 1j5i s ASN 48 N -1.10 1.86 0.16 0.00 0.02 -1.18 -1.06 114.94 113.64 1j5i s ASN 48 Ca 0.05 1.29 0.24 0.00 -1.02 0.00 0.00 52.86 53.42 1j5i s ASN 48 Cb -0.08 -2.01 0.91 0.00 0.02 0.00 0.00 41.25 40.08 1j5i s ASN 48 CO 0.01 -3.62 1.73 -0.81 0.02 0.00 0.00 177.10 174.43 1j5i n PRO 49 N -4.51 0.15 -0.48 -0.60 -0.04 -1.26 -2.19 135.00 126.07 1j5i n PRO 49 Ca 0.04 0.26 0.08 0.00 -0.04 0.00 0.00 63.50 63.84 1j5i n PRO 49 Cb 0.56 -1.73 0.28 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.69 2.92 1.28 0.55 0.00 -1.26 -4.29 120.51 118.02 1j5i n ALA 50 Ca 0.04 -1.76 0.09 0.00 0.00 0.00 0.00 53.44 51.81 1j5i n ALA 50 Cb 0.30 -0.79 0.34 0.00 0.00 0.00 0.00 19.45 19.30 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 0.39 1.44 -4.18 0.00 -0.08 -0.93 -4.53 116.55 108.66 1j5i n ASP 51 Ca 0.21 -1.75 -0.40 0.00 -1.51 0.00 0.00 54.79 51.35 1j5i n ASP 51 Cb 0.81 -0.12 -0.08 0.00 2.34 0.00 0.00 41.12 44.08 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 -1.77 3.50 -0.42 -0.67 0.08 -1.21 -2.97 117.98 114.52 1j5i s PHE 52 Ca 0.29 -2.26 0.04 0.00 0.12 0.00 0.00 56.93 55.12 1j5i s PHE 52 Cb 0.15 -3.43 0.17 0.00 -0.57 0.00 0.00 43.02 39.34 1j5i s PHE 52 CO 0.22 -0.93 0.46 0.45 -0.10 0.00 0.00 175.22 175.32 1j5i s SER 53 N 1.76 0.54 -0.25 1.36 0.15 0.48 -4.96 113.70 112.77 1j5i s SER 53 Ca 0.12 -2.11 -0.44 0.00 0.70 0.00 0.00 55.95 54.23 1j5i s SER 53 Cb -0.21 0.59 -0.20 0.00 -1.71 0.00 0.00 66.02 64.49 1j5i s SER 53 CO -0.04 -0.17 1.34 -1.54 1.20 0.00 0.00 173.24 174.03 1j5i n SER 54 N 3.45 0.62 -4.08 5.45 3.41 -1.26 -1.12 113.62 120.08 1j5i n SER 54 Ca 0.19 1.17 -0.09 0.00 -0.26 0.00 0.00 58.87 59.88 1j5i n SER 54 Cb 0.49 -0.90 -0.10 0.00 -0.26 0.00 0.00 64.21 63.43 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 1.53 0.35 0.01 -3.33 1.01 0.14 -4.77 120.40 115.33 1j5i s VAL 55 Ca 0.98 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1j5i s VAL 55 Cb -1.38 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 1j5i s VAL 55 CO 0.70 -0.76 -0.02 0.28 0.00 0.00 0.00 175.10 175.30 1j5i s THR 56 N -2.87 0.10 -0.04 3.92 -1.32 -1.26 0.37 115.64 114.54 1j5i s THR 56 Ca -0.00 -0.35 -0.00 0.00 -1.21 0.00 0.00 61.69 60.12 1j5i s THR 56 Cb 0.00 -0.15 -0.03 0.00 -1.51 0.00 0.00 72.50 70.81 1j5i s THR 56 CO -0.05 -0.16 0.01 0.00 -2.21 0.00 0.00 174.62 172.21 1j5i s ALA 57 N -0.53 3.33 0.89 11.08 0.00 -0.72 -4.49 121.76 131.34 1j5i s ALA 57 Ca -0.05 -0.87 -0.12 0.00 0.00 0.00 0.00 51.96 50.92 1j5i s ALA 57 Cb -0.04 -1.45 0.10 0.00 0.00 0.00 0.00 23.12 21.74 1j5i s ALA 57 CO -0.00 0.63 0.98 -0.25 0.00 0.00 0.00 175.76 177.11 1j5i n ASP 58 N 1.72 -0.08 -0.69 0.00 10.43 0.10 -1.42 116.55 126.61 1j5i n ASP 58 Ca -0.16 0.45 0.53 0.00 2.57 0.00 0.00 54.79 58.17 1j5i n ASP 58 Cb 0.53 -1.42 0.82 0.00 1.84 0.00 0.00 41.12 42.89 1j5i n ASP 58 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1j5i h ALA 59 N -1.54 3.82 -0.43 2.24 0.00 -1.86 3.29 119.26 124.77 1j5i h ALA 59 Ca -0.44 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.15 1j5i h ALA 59 Cb 1.28 0.15 -0.13 0.00 0.00 0.00 0.00 17.79 19.09 1j5i h ALA 59 CO 0.41 -2.39 0.33 -1.71 0.00 0.00 0.00 179.25 175.89 1j5i n ASN 60 N -3.97 4.85 -4.42 0.00 2.85 -1.26 -3.77 115.26 109.53 1j5i n ASN 60 Ca 0.44 -2.85 -0.39 0.00 -0.11 0.00 0.00 54.58 51.67 1j5i n ASN 60 Cb 1.99 -0.86 -0.07 0.00 1.24 0.00 0.00 39.78 42.08 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 0.12 -0.35 3.21 8.20 0.00 1.08 -4.22 105.19 113.23 1j5i n GLY 61 Ca 0.27 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.52 5.76 -0.78 1.61 0.01 -0.98 -0.62 113.70 115.19 1j5i s SER 62 Ca 0.63 -2.10 -0.08 0.00 1.31 0.00 0.00 55.95 55.71 1j5i s SER 62 Cb -0.36 -2.02 0.20 0.00 0.21 0.00 0.00 66.02 64.05 1j5i s SER 62 CO 1.00 -0.65 0.66 0.00 0.41 0.00 0.00 173.24 174.67 1j5i s ALA 63 N 1.07 3.95 -1.14 1.44 0.00 0.16 -0.00 121.76 127.25 1j5i s ALA 63 Ca 0.08 -3.41 -0.08 0.00 0.00 0.00 0.00 51.96 48.55 1j5i s ALA 63 Cb -0.24 -3.09 0.26 0.00 0.00 0.00 0.00 23.12 20.05 1j5i s ALA 63 CO -0.02 -2.19 1.38 -1.13 0.00 0.00 0.00 175.76 173.80 1j5i n SER 64 N 3.45 5.78 -4.64 0.00 3.41 -1.25 0.36 113.62 120.73 1j5i n SER 64 Ca 0.13 -3.18 -0.34 0.00 -0.26 0.00 0.00 58.87 55.22 1j5i n SER 64 Cb 0.41 -1.38 -0.10 0.00 -0.26 0.00 0.00 64.21 62.89 1j5i n SER 64 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1j5i s THR 65 N -1.30 4.03 -0.14 6.66 2.01 -0.08 -4.86 115.64 121.96 1j5i s THR 65 Ca 0.33 -0.36 -0.07 0.00 0.31 0.00 0.00 61.69 61.91 1j5i s THR 65 Cb -0.01 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 1j5i s THR 65 CO 0.01 0.60 0.12 -0.94 -0.69 0.00 0.00 174.62 173.72 1j5i s SER 66 N -0.85 6.22 0.29 3.53 1.04 -1.26 0.70 113.70 123.37 1j5i s SER 66 Ca 0.13 0.38 -0.08 0.00 0.48 0.00 0.00 55.95 56.86 1j5i s SER 66 Cb -0.11 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 63.99 1j5i s SER 66 CO 0.02 0.35 0.48 -0.22 0.98 0.00 0.00 173.24 174.85 1j5i s LEU 67 N -0.68 0.64 -0.14 2.42 0.20 -0.35 -4.92 118.68 115.85 1j5i s LEU 67 Ca 0.13 -1.21 -0.04 0.00 0.69 0.00 0.00 54.13 53.70 1j5i s LEU 67 Cb -0.12 1.63 -0.03 0.00 -0.43 0.00 0.00 46.19 47.24 1j5i s LEU 67 CO 0.03 -1.23 0.02 0.28 -0.29 0.00 0.00 176.35 175.16 1j5i s THR 68 N -3.49 4.44 -0.87 3.68 -1.32 -1.26 -0.89 115.64 115.93 1j5i s THR 68 Ca 0.26 -0.18 -0.20 0.00 -1.21 0.00 0.00 61.69 60.37 1j5i s THR 68 Cb -0.00 -2.94 0.11 0.00 -1.51 0.00 0.00 72.50 68.16 1j5i s THR 68 CO 0.14 0.53 1.12 -0.69 -2.21 0.00 0.00 174.62 173.51 1j5i s VAL 69 N -0.18 4.54 -0.79 5.08 1.01 0.33 -4.75 120.40 125.65 1j5i s VAL 69 Ca 0.06 -1.18 -0.21 0.00 0.00 0.00 0.00 61.98 60.64 1j5i s VAL 69 Cb -0.12 -4.79 0.09 0.00 0.00 0.00 0.00 36.38 31.56 1j5i s VAL 69 CO 0.02 -1.54 1.07 -0.13 0.00 0.00 0.00 175.10 174.52 1j5i s ARG 70 N 3.28 3.34 0.27 2.72 1.81 -1.26 -1.57 118.95 127.54 1j5i s ARG 70 Ca 0.31 -1.20 -0.01 0.00 -1.72 0.00 0.00 55.73 53.12 1j5i s ARG 70 Cb -0.07 -4.58 0.38 0.00 -0.45 0.00 0.00 34.95 30.23 1j5i s ARG 70 CO -0.05 -1.84 1.79 -0.09 -0.68 0.00 0.00 175.30 174.43 1j5i h ARG 71 N 9.32 0.77 -5.00 3.54 2.43 -1.88 -3.40 114.38 120.15 1j5i h ARG 71 Ca -0.08 -0.19 -0.63 0.00 -0.81 0.00 0.00 59.98 58.27 1j5i h ARG 71 Cb 1.05 -0.10 -0.17 0.00 -0.42 0.00 0.00 29.97 30.33 1j5i h ARG 71 CO 1.18 0.76 -0.53 0.45 -1.51 0.00 0.00 179.97 180.31 1j5i s SER 72 N -6.64 5.88 0.00 -3.80 0.15 -1.26 -0.69 113.70 107.33 1j5i s SER 72 Ca -0.09 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1j5i s SER 72 Cb 0.15 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 1j5i s SER 72 CO 0.80 0.01 0.00 0.33 1.20 0.00 0.00 173.24 175.58 1j5i n PHE 73 N 4.67 0.00 -3.06 3.44 -0.00 -0.53 -4.94 117.46 117.03 1j5i n PHE 73 Ca -0.15 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 56.87 1j5i n PHE 73 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 39.48 39.94 1j5i n PHE 73 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 1j5i s GLU 74 N -0.59 3.27 0.00 -4.13 2.12 -1.25 0.29 118.70 118.41 1j5i s GLU 74 Ca 0.00 -0.44 0.00 0.00 0.36 0.00 0.00 54.97 54.89 1j5i s GLU 74 Cb 0.00 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 30.39 1j5i s GLU 74 CO 0.00 -1.14 0.00 0.41 -0.54 0.00 0.00 175.26 173.99 1j5i n GLY 75 N 5.07 1.80 3.01 -1.50 0.00 1.27 -4.30 105.19 110.53 1j5i n GLY 75 Ca -0.02 -1.78 -0.15 0.00 0.00 0.00 0.00 46.02 44.08 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 3.57 0.59 0.50 1.61 0.40 -0.22 0.14 117.98 124.57 1j5i s PHE 76 Ca 0.00 -0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 1j5i s PHE 76 Cb 0.00 -0.36 0.10 0.00 0.51 0.00 0.00 43.02 43.27 1j5i s PHE 76 CO 0.00 -0.04 0.69 1.28 0.70 0.00 0.00 175.22 177.85 1j5i n LEU 77 N 2.32 0.00 0.19 -0.37 4.32 -0.14 -1.24 117.00 122.07 1j5i n LEU 77 Ca -0.17 -1.51 0.07 0.00 -0.02 0.00 0.00 56.01 54.39 1j5i n LEU 77 Cb 0.57 -0.44 0.25 0.00 -1.62 0.00 0.00 43.42 42.17 1j5i n LEU 77 CO 0.23 -0.83 0.67 0.15 -1.22 0.00 0.00 177.39 176.40 1j5i h PHE 78 N -0.49 0.00 -0.25 -1.77 3.57 -1.87 -3.05 116.94 113.09 1j5i h PHE 78 Ca -0.23 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.18 1j5i h PHE 78 Cb 0.86 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1j5i h PHE 78 CO 0.00 0.30 -0.23 0.22 -2.23 0.00 0.00 178.31 176.38 1j5i h ASP 79 N 0.00 0.46 0.00 0.41 3.58 -1.94 -3.46 116.42 115.47 1j5i h ASP 79 Ca -0.00 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.30 1j5i h ASP 79 Cb 1.03 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.96 1j5i h ASP 79 CO 0.04 0.69 0.00 0.61 -2.88 0.00 0.00 179.24 177.70 1j5i n GLY 80 N -0.44 1.55 3.90 -0.78 0.00 -1.15 -5.13 105.19 103.14 1j5i n GLY 80 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 4.93 -1.18 2.61 2.01 -1.26 -4.87 115.64 115.88 1j5i s THR 81 Ca 0.00 0.18 -0.09 0.00 0.31 0.00 0.00 61.69 62.09 1j5i s THR 81 Cb 0.00 -3.81 0.23 0.00 0.01 0.00 0.00 72.50 68.94 1j5i s THR 81 CO 0.00 -0.62 1.50 -2.11 -0.69 0.00 0.00 174.62 172.70 1j5i n ARG 82 N -1.68 3.77 0.00 4.92 1.85 -1.26 -0.97 116.66 123.29 1j5i n ARG 82 Ca -0.00 -4.08 0.00 0.00 -1.00 0.00 0.00 57.85 52.77 1j5i n ARG 82 Cb 0.55 -2.76 0.00 0.00 -1.05 0.00 0.00 32.46 29.20 1j5i n ARG 82 CO 0.00 0.00 0.00 1.87 -0.01 0.00 0.00 177.63 179.49 1j5i n TRP 83 N 3.37 0.00 -2.87 2.89 -0.00 0.38 -4.67 117.44 116.54 1j5i n TRP 83 Ca 0.32 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.76 1j5i n TRP 83 Cb 0.38 0.00 0.01 0.00 -0.00 0.00 0.00 31.31 31.69 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 3.79 -2.56 5.20 5.87 0.00 -1.12 0.39 105.19 116.76 1j5i n GLY 84 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 0.37 0.00 0.00 2.61 -1.04 -1.26 -1.29 114.28 113.67 1j5i n THR 85 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1j5i n THR 85 Cb 0.26 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 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 -3.02 12.58 0.31 0.15 -4.64 118.33 123.71 1j5i n VAL 86 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 1j5i n VAL 86 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 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 0.00 -0.66 -0.66 4.52 -1.08 -1.26 -1.46 116.67 116.07 1j5i s ASP 87 Ca 0.00 -1.80 -0.10 0.00 -0.52 0.00 0.00 52.55 50.13 1j5i s ASP 87 Cb 0.00 1.35 -0.09 0.00 -1.46 0.00 0.00 42.92 42.72 1j5i s ASP 87 CO 0.00 -0.11 1.84 0.00 0.52 0.00 0.00 175.17 177.41 1j5i n THR 89 N 4.97 0.00 0.00 0.00 5.66 -1.26 -4.66 114.28 118.98 1j5i n THR 89 Ca 0.38 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 61.33 1j5i n THR 89 Cb 0.19 0.51 0.00 0.00 -1.55 0.00 0.00 70.33 69.48 1j5i n THR 89 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1j5i n THR 90 N -1.16 0.00 -1.74 1.09 -1.04 -1.26 -4.91 114.28 105.26 1j5i n THR 90 Ca 0.07 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.68 1j5i n THR 90 Cb 0.35 -0.14 0.02 0.00 -1.82 0.00 0.00 70.33 68.74 1j5i n THR 90 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j5i n ALA 91 N -2.04 1.79 -2.56 2.41 0.00 -1.26 -4.94 120.51 113.91 1j5i n ALA 91 Ca 0.00 0.23 -0.42 0.00 0.00 0.00 0.00 53.44 53.25 1j5i n ALA 91 Cb 0.00 -2.36 -0.07 0.00 0.00 0.00 0.00 19.45 17.03 1j5i n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j5i s ALA 92 N -1.21 3.44 -0.15 0.00 0.00 -1.26 -4.79 121.76 117.80 1j5i s ALA 92 Ca 0.63 -0.91 -0.18 0.00 0.00 0.00 0.00 51.96 51.50 1j5i s ALA 92 Cb -0.46 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 1j5i s ALA 92 CO 0.56 -1.39 0.47 0.00 0.00 0.00 0.00 175.76 175.40 1j5i s GLN 94 N 0.93 3.69 -0.40 0.00 -0.21 -0.28 -0.66 119.66 122.73 1j5i s GLN 94 Ca 0.25 -0.34 -0.22 0.00 0.02 0.00 0.00 55.36 55.06 1j5i s GLN 94 Cb -0.15 -3.76 0.01 0.00 1.00 0.00 0.00 33.01 30.11 1j5i s GLN 94 CO 0.10 -0.43 0.74 0.08 -2.12 0.00 0.00 175.29 173.65 1j5i s VAL 95 N 1.97 4.75 0.26 1.09 1.01 -0.48 0.07 120.40 129.07 1j5i s VAL 95 Ca 0.11 0.59 -0.20 0.00 0.00 0.00 0.00 61.98 62.48 1j5i s VAL 95 Cb -0.16 -4.22 0.06 0.00 0.00 0.00 0.00 36.38 32.06 1j5i s VAL 95 CO 0.11 -0.52 0.89 -0.83 0.00 0.00 0.00 175.10 174.75 1j5i s GLY 96 N 1.95 0.11 -0.13 4.51 0.00 -0.04 -1.55 107.32 112.17 1j5i s GLY 96 Ca 0.28 -0.39 -0.04 0.00 0.00 0.00 0.00 44.72 44.57 1j5i s GLY 96 CO 0.19 0.63 0.02 0.48 0.00 0.00 0.00 173.10 174.42 1j5i s LEU 97 N -3.13 3.61 0.00 0.66 2.34 -1.26 -0.43 118.68 120.47 1j5i s LEU 97 Ca 0.16 0.08 0.01 0.00 0.06 0.00 0.00 54.13 54.44 1j5i s LEU 97 Cb -0.04 -1.87 -0.04 0.00 -0.56 0.00 0.00 46.19 43.69 1j5i s LEU 97 CO 0.07 0.27 0.03 -0.94 -1.06 0.00 0.00 176.35 174.73 1j5i s SER 98 N -0.24 5.35 1.01 1.48 1.04 0.47 -4.63 113.70 118.18 1j5i s SER 98 Ca 0.06 0.05 -0.15 0.00 0.48 0.00 0.00 55.95 56.39 1j5i s SER 98 Cb -0.12 -1.46 0.03 0.00 0.10 0.00 0.00 66.02 64.57 1j5i s SER 98 CO 0.02 0.27 0.10 0.47 0.98 0.00 0.00 173.24 175.08 1j5i n ASP 99 N 1.27 -2.60 0.00 7.02 10.43 -0.77 -0.39 116.55 131.52 1j5i n ASP 99 Ca -0.14 0.17 0.10 0.00 2.57 0.00 0.00 54.79 57.50 1j5i n ASP 99 Cb 0.53 -1.07 0.55 0.00 1.84 0.00 0.00 41.12 42.97 1j5i n ASP 99 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1j5i n ALA 100 N -3.72 2.13 0.05 2.24 0.00 -1.26 -1.75 120.51 118.19 1j5i n ALA 100 Ca 0.04 -0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.46 1j5i n ALA 100 Cb 0.57 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.23 2.52 -0.70 0.00 0.00 -1.26 -4.99 120.51 114.86 1j5i n ALA 101 Ca 0.11 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1j5i n ALA 101 Cb 0.15 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 1.26 0.59 3.23 0.00 0.00 -0.72 -5.11 105.19 104.44 1j5i n GLY 102 Ca -0.04 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.81 0.08 0.00 1.61 0.01 -1.26 -4.95 114.94 108.62 1j5i s ASN 103 Ca 0.00 -0.64 0.00 0.00 -0.71 0.00 0.00 52.86 51.51 1j5i s ASN 103 Cb 0.00 0.36 0.00 0.00 0.41 0.00 0.00 41.25 42.02 1j5i s ASN 103 CO 0.00 -0.75 0.00 0.61 -1.51 0.00 0.00 177.10 175.45 1j5i n GLY 104 N -0.09 1.33 2.20 0.66 0.00 -1.26 -1.84 105.19 106.19 1j5i n GLY 104 Ca -0.14 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 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 1.25 1.78 -3.29 1.61 -0.04 -1.26 -4.76 135.00 130.30 1j5i n PRO 105 Ca 0.00 -0.97 -0.38 0.00 -0.04 0.00 0.00 63.50 62.11 1j5i n PRO 105 Cb 0.00 -2.03 -0.06 0.00 -0.04 0.00 0.00 33.50 31.37 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 1.78 4.28 0.00 0.54 2.56 -1.26 -5.00 118.70 121.61 1j5i s GLU 106 Ca 0.51 0.56 0.00 0.00 0.00 0.00 0.00 54.97 56.04 1j5i s GLU 106 Cb 0.22 -3.38 0.00 0.00 2.00 0.00 0.00 34.13 32.97 1j5i s GLU 106 CO -0.01 0.29 0.00 0.41 -0.56 0.00 0.00 175.26 175.39 1j5i n GLY 107 N 2.80 4.33 3.58 -1.50 0.00 -1.26 -3.94 105.19 109.20 1j5i n GLY 107 Ca -0.08 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.24 4.54 -0.83 1.61 0.11 -0.59 -4.60 120.40 119.39 1j5i s VAL 108 Ca 0.00 -0.12 -0.23 0.00 -2.93 0.00 0.00 61.98 58.70 1j5i s VAL 108 Cb 0.00 -3.05 -0.18 0.00 -1.53 0.00 0.00 36.38 31.63 1j5i s VAL 108 CO 0.00 0.45 2.33 0.00 -3.33 0.00 0.00 175.10 174.55 1j5i n ALA 109 N 3.76 0.44 -2.57 1.54 0.00 -1.26 -1.38 120.51 121.05 1j5i n ALA 109 Ca -0.17 -1.38 -0.24 0.00 0.00 0.00 0.00 53.44 51.66 1j5i n ALA 109 Cb 0.52 -3.11 -0.08 0.00 0.00 0.00 0.00 19.45 16.78 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 12.65 3.00 0.00 0.00 -1.16 0.17 -4.71 121.20 131.15 1j5i s ILE 110 Ca 0.96 -1.92 0.00 0.00 -0.51 0.00 0.00 60.65 59.18 1j5i s ILE 110 Cb -0.23 -2.82 0.00 0.00 0.61 0.00 0.00 42.46 40.02 1j5i s ILE 110 CO 0.16 -0.27 0.00 -0.24 -2.81 0.00 0.00 174.94 171.78 1j5i n SER 111 N -0.95 0.00 -1.69 4.50 2.88 -0.61 -4.01 113.62 113.75 1j5i n SER 111 Ca -0.05 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.31 1j5i n SER 111 Cb 0.61 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.06 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 -0.36 1.45 0.66 -0.00 -1.26 -1.88 117.46 116.06 1j5i n PHE 112 Ca 0.00 0.34 0.14 0.00 -0.00 0.00 0.00 57.45 57.92 1j5i n PHE 112 Cb 0.00 -0.74 0.48 0.00 -0.00 0.00 0.00 39.48 39.23 1j5i n PHE 112 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05