#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 -1.79 -1.56 0.00 0.00 -1.26 -4.59 120.51 111.30 1j5i n ALA 2 Ca 0.00 0.43 -0.31 0.00 0.00 0.00 0.00 53.44 53.56 1j5i n ALA 2 Cb 0.00 -1.36 0.07 0.00 0.00 0.00 0.00 19.45 18.16 1j5i n ALA 2 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j5i s PRO 3 N -5.17 2.58 3.49 0.00 0.04 -1.26 -4.75 135.00 129.92 1j5i s PRO 3 Ca 0.00 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1j5i s PRO 3 Cb 0.00 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1j5i s PRO 3 CO 0.00 -1.32 0.00 0.25 0.04 0.00 0.00 177.00 175.97 1j5i n THR 4 N -3.26 0.00 -2.35 1.26 -2.24 -0.97 -4.57 114.28 102.16 1j5i n THR 4 Ca 0.07 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.43 1j5i n THR 4 Cb 0.55 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.75 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 -1.88 3.53 0.02 6.98 0.00 -1.23 -2.56 121.76 126.63 1j5i s ALA 5 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1j5i s ALA 5 Cb 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1j5i s ALA 5 CO 0.00 -0.80 -0.04 0.95 0.00 0.00 0.00 175.76 175.87 1j5i s THR 6 N 2.18 0.18 -0.13 0.00 -4.23 -0.19 -4.44 115.64 109.01 1j5i s THR 6 Ca 0.60 -0.83 -0.24 0.00 -1.18 0.00 0.00 61.69 60.04 1j5i s THR 6 Cb -0.28 -0.30 -0.03 0.00 1.34 0.00 0.00 72.50 73.24 1j5i s THR 6 CO 0.25 -0.41 0.75 -0.69 -0.54 0.00 0.00 174.62 173.97 1j5i s VAL 7 N -1.26 4.97 0.01 2.29 1.01 -1.26 -1.89 120.40 124.27 1j5i s VAL 7 Ca -0.13 1.48 -0.02 0.00 0.00 0.00 0.00 61.98 63.31 1j5i s VAL 7 Cb -0.09 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 1j5i s VAL 7 CO -0.01 0.13 0.56 0.41 0.00 0.00 0.00 175.10 176.19 1j5i n THR 8 N 4.36 -0.05 0.00 3.92 -1.04 -0.51 -4.41 114.28 116.54 1j5i n THR 8 Ca 0.01 0.85 0.00 0.00 -2.04 0.00 0.00 64.05 62.87 1j5i n THR 8 Cb 0.50 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.89 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 -2.84 1.22 0.00 -2.82 -0.04 -1.26 -5.05 135.00 124.20 1j5i n PRO 9 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1j5i n PRO 9 Cb 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.48 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 0.00 -4.69 3.54 3.41 -1.26 -5.01 113.62 109.62 1j5i n SER 10 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 1j5i n SER 10 Cb 0.00 0.09 -0.08 0.00 -0.26 0.00 0.00 64.21 63.96 1j5i n SER 10 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1j5i s SER 11 N -0.28 5.05 0.00 4.04 0.15 -1.26 -1.54 113.70 119.85 1j5i s SER 11 Ca 0.00 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1j5i s SER 11 Cb 0.00 -1.22 0.00 0.00 -1.71 0.00 0.00 66.02 63.09 1j5i s SER 11 CO 0.00 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1j5i n GLY 12 N 0.70 1.63 3.92 9.45 0.00 -1.13 -4.88 105.19 114.88 1j5i n GLY 12 Ca -0.11 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 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 3.24 0.20 0.99 1.43 -0.62 -5.05 118.68 118.87 1j5i s LEU 13 Ca 0.00 0.74 0.07 0.00 -1.03 0.00 0.00 54.13 53.91 1j5i s LEU 13 Cb 0.00 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 1j5i s LEU 13 CO 0.00 -1.05 -0.14 -0.55 0.23 0.00 0.00 176.35 174.84 1j5i s SER 14 N -4.30 2.48 -0.30 2.29 0.15 -1.26 -4.92 113.70 107.84 1j5i s SER 14 Ca 0.54 -1.02 -0.13 0.00 0.70 0.00 0.00 55.95 56.04 1j5i s SER 14 Cb -0.11 -0.12 -0.14 0.00 -1.71 0.00 0.00 66.02 63.94 1j5i s SER 14 CO 0.45 -0.19 1.53 -0.90 1.20 0.00 0.00 173.24 175.34 1j5i n ASP 15 N -0.35 1.64 0.00 5.45 5.75 -1.26 -1.19 116.55 126.59 1j5i n ASP 15 Ca -0.08 -2.31 0.00 0.00 -0.01 0.00 0.00 54.79 52.38 1j5i n ASP 15 Cb 0.60 -0.71 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 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 4.32 0.06 3.58 6.12 0.00 -0.10 -4.68 105.19 114.49 1j5i n GLY 16 Ca 0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.11 4.98 0.04 2.61 2.01 -0.34 -4.76 115.64 120.08 1j5i s THR 17 Ca 0.00 0.62 -0.30 0.00 0.31 0.00 0.00 61.69 62.32 1j5i s THR 17 Cb 0.00 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 1j5i s THR 17 CO 0.00 -0.16 1.21 -0.69 -0.69 0.00 0.00 174.62 174.29 1j5i s VAL 18 N 2.50 4.06 0.16 3.82 1.01 -1.26 0.23 120.40 130.92 1j5i s VAL 18 Ca 0.22 1.46 -0.06 0.00 0.00 0.00 0.00 61.98 63.60 1j5i s VAL 18 Cb -0.15 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 1j5i s VAL 18 CO 0.12 0.09 0.21 0.68 0.00 0.00 0.00 175.10 176.21 1j5i s VAL 19 N 1.33 0.07 -0.23 2.92 -7.23 0.14 -4.95 120.40 112.46 1j5i s VAL 19 Ca 0.58 -1.56 -0.12 0.00 -1.81 0.00 0.00 61.98 59.07 1j5i s VAL 19 Cb -0.29 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 1j5i s VAL 19 CO 0.28 -0.34 0.24 -0.75 -0.31 0.00 0.00 175.10 174.22 1j5i s LYS 20 N -4.00 4.09 -0.70 4.82 2.20 -1.26 -1.33 119.74 123.56 1j5i s LYS 20 Ca 0.20 -0.13 -0.15 0.00 -0.36 0.00 0.00 55.97 55.53 1j5i s LYS 20 Cb 0.05 -3.55 0.17 0.00 -1.51 0.00 0.00 37.83 32.99 1j5i s LYS 20 CO 0.01 0.01 0.67 0.08 -0.36 0.00 0.00 175.35 175.76 1j5i s VAL 21 N 1.21 5.37 -0.25 4.02 1.01 0.23 -1.43 120.40 130.56 1j5i s VAL 21 Ca 0.11 -1.95 -0.21 0.00 0.00 0.00 0.00 61.98 59.93 1j5i s VAL 21 Cb -0.14 -4.43 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 1j5i s VAL 21 CO 0.06 -0.99 0.65 0.00 0.00 0.00 0.00 175.10 174.81 1j5i s ALA 22 N 1.00 3.61 -0.51 5.51 0.00 -0.79 -0.67 121.76 129.91 1j5i s ALA 22 Ca 0.12 -0.40 -0.04 0.00 0.00 0.00 0.00 51.96 51.64 1j5i s ALA 22 Cb -0.19 -3.05 0.13 0.00 0.00 0.00 0.00 23.12 20.02 1j5i s ALA 22 CO -0.03 -0.81 0.34 0.20 0.00 0.00 0.00 175.76 175.46 1j5i s GLY 23 N 1.45 2.21 -0.50 0.00 0.00 0.92 -1.02 107.32 110.37 1j5i s GLY 23 Ca 0.27 -2.83 -0.16 0.00 0.00 0.00 0.00 44.72 42.00 1j5i s GLY 23 CO 0.08 1.08 0.47 0.00 0.00 0.00 0.00 173.10 174.74 1j5i s ALA 24 N 0.71 3.56 0.00 3.20 0.00 -1.06 0.26 121.76 128.43 1j5i s ALA 24 Ca 0.11 -2.21 0.00 0.00 0.00 0.00 0.00 51.96 49.87 1j5i s ALA 24 Cb -0.22 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1j5i s ALA 24 CO -0.03 -1.89 0.00 0.41 0.00 0.00 0.00 175.76 174.25 1j5i n GLY 25 N 5.22 1.12 0.00 0.00 0.00 0.10 -2.28 105.19 109.35 1j5i n GLY 25 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.53 0.99 -0.00 -0.44 -4.76 117.00 108.26 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 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.27 1j5i n LEU 26 CO 0.00 0.00 1.68 0.00 -0.00 0.00 0.00 177.39 179.07 1j5i n GLN 27 N 0.00 0.27 -1.53 1.96 1.13 -1.26 -4.50 117.38 113.45 1j5i n GLN 27 Ca 0.00 -0.40 -0.13 0.00 -1.94 0.00 0.00 57.00 54.53 1j5i n GLN 27 Cb 0.00 -2.29 -0.10 0.00 0.11 0.00 0.00 30.24 27.96 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 11.85 0.29 -0.96 -1.58 0.00 -1.26 -1.38 120.51 127.47 1j5i n ALA 28 Ca 0.58 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 52.20 1j5i n ALA 28 Cb 0.28 -3.11 0.00 0.00 0.00 0.00 0.00 19.45 16.61 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 6.24 0.54 2.60 0.00 0.00 -0.24 -4.73 105.19 109.61 1j5i n GLY 29 Ca 0.42 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.48 0.00 -3.69 2.61 -1.04 -0.48 -4.81 114.28 104.39 1j5i n THR 30 Ca 0.00 -1.01 -0.25 0.00 -2.04 0.00 0.00 64.05 60.74 1j5i n THR 30 Cb 0.07 -1.12 -0.17 0.00 -1.82 0.00 0.00 70.33 67.29 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 -3.14 0.66 0.42 2.41 0.00 -1.26 -1.72 121.76 119.14 1j5i s ALA 31 Ca 0.45 -0.36 0.07 0.00 0.00 0.00 0.00 51.96 52.11 1j5i s ALA 31 Cb -0.02 -0.99 -0.06 0.00 0.00 0.00 0.00 23.12 22.04 1j5i s ALA 31 CO 0.30 -0.98 0.08 0.71 0.00 0.00 0.00 175.76 175.88 1j5i s TYR 32 N 2.01 2.47 -0.20 0.00 1.51 0.15 -4.48 117.35 118.82 1j5i s TYR 32 Ca 0.02 -0.67 -0.21 0.00 -1.01 0.00 0.00 57.07 55.20 1j5i s TYR 32 Cb -0.15 -1.84 -0.02 0.00 -0.11 0.00 0.00 41.96 39.84 1j5i s TYR 32 CO -0.07 0.31 0.65 -0.51 -1.11 0.00 0.00 175.55 174.81 1j5i s ASP 33 N -3.81 6.70 0.13 2.29 1.11 0.11 0.65 116.67 123.85 1j5i s ASP 33 Ca 0.35 0.85 -0.24 0.00 0.18 0.00 0.00 52.55 53.69 1j5i s ASP 33 Cb 0.07 -2.36 -0.07 0.00 1.07 0.00 0.00 42.92 41.63 1j5i s ASP 33 CO 0.18 -0.29 0.73 0.54 1.18 0.00 0.00 175.17 177.51 1j5i s VAL 34 N 1.98 4.49 0.00 -1.27 0.11 -0.27 0.44 120.40 125.88 1j5i s VAL 34 Ca 0.29 1.59 0.00 0.00 -2.93 0.00 0.00 61.98 60.93 1j5i s VAL 34 Cb -0.16 -4.08 0.00 0.00 -1.53 0.00 0.00 36.38 30.61 1j5i s VAL 34 CO 0.10 0.51 0.00 0.61 -3.33 0.00 0.00 175.10 173.00 1j5i n GLY 35 N 1.72 3.30 3.61 6.54 0.00 -0.22 -0.79 105.19 119.35 1j5i n GLY 35 Ca -0.06 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.41 4.00 0.16 1.61 0.00 -1.25 -2.71 119.66 120.05 1j5i s GLN 36 Ca 0.00 0.25 0.07 0.00 -0.00 0.00 0.00 55.36 55.68 1j5i s GLN 36 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 33.01 29.29 1j5i s GLN 36 CO 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 175.29 174.91 1j5i s ALA 38 N -1.69 -1.88 -0.43 0.00 0.00 -0.71 -1.41 121.76 115.63 1j5i s ALA 38 Ca 0.28 1.38 -0.28 0.00 0.00 0.00 0.00 51.96 53.34 1j5i s ALA 38 Cb -0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 1j5i s ALA 38 CO 0.19 -0.44 1.75 1.67 0.00 0.00 0.00 175.76 178.94 1j5i s TRP 39 N -1.78 1.86 -0.17 0.00 1.48 -1.26 0.67 118.94 119.74 1j5i s TRP 39 Ca -0.00 0.68 -0.16 0.00 -1.06 0.00 0.00 56.10 55.56 1j5i s TRP 39 Cb -0.01 -4.15 -0.22 0.00 -1.16 0.00 0.00 33.47 27.94 1j5i s TRP 39 CO -0.01 -2.58 0.27 1.55 -4.06 0.00 0.00 176.95 172.12 1j5i n VAL 40 N 7.29 1.64 -1.29 -0.66 3.14 -0.38 -4.79 118.33 123.28 1j5i n VAL 40 Ca 0.21 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.31 1j5i n VAL 40 Cb 0.49 -1.92 0.00 0.00 -1.06 0.00 0.00 33.84 31.35 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 -4.05 0.00 -4.49 6.55 -0.08 -1.19 -4.85 116.55 108.43 1j5i n ASP 41 Ca -0.32 -0.64 -0.19 0.00 -1.51 0.00 0.00 54.79 52.13 1j5i n ASP 41 Cb 0.83 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 44.18 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 -1.07 0.39 -1.77 5.18 -1.04 -1.26 -2.68 114.28 112.03 1j5i n THR 42 Ca 0.00 -0.40 -0.13 0.00 -2.04 0.00 0.00 64.05 61.48 1j5i n THR 42 Cb 0.00 -2.04 -0.03 0.00 -1.82 0.00 0.00 70.33 66.44 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 5.97 0.68 3.40 3.41 0.00 -1.26 -4.97 105.19 112.42 1j5i n GLY 43 Ca 0.42 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.56 5.17 -0.68 1.61 1.01 -1.09 -4.96 120.40 118.90 1j5i s VAL 44 Ca 0.00 -1.00 -0.25 0.00 0.00 0.00 0.00 61.98 60.73 1j5i s VAL 44 Cb 0.00 -4.04 -0.13 0.00 0.00 0.00 0.00 36.38 32.21 1j5i s VAL 44 CO 0.00 -0.51 2.42 0.18 0.00 0.00 0.00 175.10 177.19 1j5i n LEU 45 N 5.17 1.74 -4.70 3.92 4.77 -1.26 -1.25 117.00 125.39 1j5i n LEU 45 Ca -0.12 -0.88 -0.35 0.00 -0.03 0.00 0.00 56.01 54.63 1j5i n LEU 45 Cb 0.44 -1.51 -0.09 0.00 -2.33 0.00 0.00 43.42 39.93 1j5i n LEU 45 CO 0.45 -1.96 -0.22 0.00 -1.33 0.00 0.00 177.39 174.32 1j5i s ALA 46 N 12.42 3.54 0.22 -1.18 0.00 0.21 -2.37 121.76 134.61 1j5i s ALA 46 Ca 1.01 -0.72 -0.00 0.00 0.00 0.00 0.00 51.96 52.24 1j5i s ALA 46 Cb -0.27 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 1j5i s ALA 46 CO 0.22 0.27 0.41 0.00 0.00 0.00 0.00 175.76 176.66 1j5i s ASN 48 N -3.30 5.21 0.00 0.00 0.02 -1.24 0.75 114.94 116.38 1j5i s ASN 48 Ca 0.38 0.34 0.22 0.00 -1.02 0.00 0.00 52.86 52.78 1j5i s ASN 48 Cb -0.11 -1.19 1.00 0.00 0.02 0.00 0.00 41.25 40.97 1j5i s ASN 48 CO 0.30 -1.26 1.71 -0.81 0.02 0.00 0.00 177.10 177.06 1j5i n PRO 49 N -2.59 0.10 -0.30 -0.60 -0.04 -1.23 -2.01 135.00 128.33 1j5i n PRO 49 Ca 0.07 0.11 0.09 0.00 -0.04 0.00 0.00 63.50 63.72 1j5i n PRO 49 Cb 0.59 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.80 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 -1.43 2.36 1.18 0.55 0.00 -1.26 -4.21 120.51 117.69 1j5i n ALA 50 Ca 0.07 -1.29 0.10 0.00 0.00 0.00 0.00 53.44 52.32 1j5i n ALA 50 Cb 0.23 -0.70 0.35 0.00 0.00 0.00 0.00 19.45 19.33 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 1.02 1.71 -4.19 0.00 -0.08 -0.85 -4.60 116.55 109.55 1j5i n ASP 51 Ca 0.19 -1.74 -0.41 0.00 -1.51 0.00 0.00 54.79 51.31 1j5i n ASP 51 Cb 0.56 -0.12 -0.06 0.00 2.34 0.00 0.00 41.12 43.84 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 -1.76 3.61 -0.42 -0.67 0.08 -1.20 -3.09 117.98 114.54 1j5i s PHE 52 Ca 0.31 -2.47 0.05 0.00 0.12 0.00 0.00 56.93 54.94 1j5i s PHE 52 Cb 0.17 -3.46 0.17 0.00 -0.57 0.00 0.00 43.02 39.32 1j5i s PHE 52 CO 0.25 -0.89 0.48 -1.12 -0.10 0.00 0.00 175.22 173.84 1j5i s SER 53 N 1.19 0.26 0.39 1.36 0.01 0.03 -4.97 113.70 111.97 1j5i s SER 53 Ca 0.19 -1.83 -0.15 0.00 1.31 0.00 0.00 55.95 55.47 1j5i s SER 53 Cb -0.15 0.85 -0.12 0.00 0.21 0.00 0.00 66.02 66.81 1j5i s SER 53 CO -0.06 -0.18 -0.07 -0.24 0.41 0.00 0.00 173.24 173.10 1j5i n SER 54 N 3.67 -2.81 -3.52 2.44 2.88 -1.26 -1.12 113.62 113.90 1j5i n SER 54 Ca 0.17 0.55 -0.14 0.00 -1.33 0.00 0.00 58.87 58.11 1j5i n SER 54 Cb 0.50 -0.68 -0.04 0.00 -0.75 0.00 0.00 64.21 63.23 1j5i n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1j5i s VAL 55 N -1.55 0.02 0.00 2.46 0.11 0.21 -4.55 120.40 117.10 1j5i s VAL 55 Ca 0.46 -0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 1j5i s VAL 55 Cb -0.42 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.43 1j5i s VAL 55 CO 0.52 -0.08 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.31 1j5i s THR 56 N -2.65 0.13 -0.01 5.04 2.01 -1.26 0.32 115.64 119.22 1j5i s THR 56 Ca -0.04 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.74 1j5i s THR 56 Cb -0.00 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.32 1j5i s THR 56 CO -0.03 -0.07 0.01 0.00 -0.69 0.00 0.00 174.62 173.84 1j5i s ALA 57 N -0.30 3.31 0.92 7.40 0.00 -0.70 -4.49 121.76 127.90 1j5i s ALA 57 Ca -0.02 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 50.91 1j5i s ALA 57 Cb -0.02 -1.38 0.15 0.00 0.00 0.00 0.00 23.12 21.86 1j5i s ALA 57 CO -0.00 0.65 1.13 -0.25 0.00 0.00 0.00 175.76 177.28 1j5i n ASP 58 N 1.45 0.26 -0.60 0.00 8.00 0.12 -1.47 116.55 124.31 1j5i n ASP 58 Ca -0.15 0.41 0.47 0.00 0.71 0.00 0.00 54.79 56.24 1j5i n ASP 58 Cb 0.53 -1.47 0.77 0.00 -0.02 0.00 0.00 41.12 40.92 1j5i n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j5i h ALA 59 N -1.91 3.45 -0.42 2.24 0.00 -1.86 3.12 119.26 123.88 1j5i h ALA 59 Ca -0.43 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.23 1j5i h ALA 59 Cb 1.27 0.18 -0.12 0.00 0.00 0.00 0.00 17.79 19.12 1j5i h ALA 59 CO 0.41 -2.05 0.33 -1.71 0.00 0.00 0.00 179.25 176.23 1j5i n ASN 60 N -4.24 5.09 -4.36 0.00 2.85 -1.26 -3.75 115.26 109.59 1j5i n ASN 60 Ca 0.42 -2.86 -0.37 0.00 -0.11 0.00 0.00 54.58 51.66 1j5i n ASN 60 Cb 1.80 -0.89 -0.06 0.00 1.24 0.00 0.00 39.78 41.87 1j5i n ASN 60 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1j5i n GLY 61 N 0.21 -0.35 3.28 8.20 0.00 1.02 -4.14 105.19 113.42 1j5i n GLY 61 Ca 0.26 0.12 -0.45 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 -3.55 6.22 -0.98 1.61 0.01 -0.95 0.03 113.70 116.08 1j5i s SER 62 Ca 0.59 -2.21 -0.05 0.00 1.31 0.00 0.00 55.95 55.60 1j5i s SER 62 Cb -0.34 -2.14 0.24 0.00 0.21 0.00 0.00 66.02 63.99 1j5i s SER 62 CO 0.98 -0.69 0.92 0.00 0.41 0.00 0.00 173.24 174.86 1j5i s ALA 63 N 0.92 4.45 -1.18 1.44 0.00 0.14 0.15 121.76 127.68 1j5i s ALA 63 Ca 0.10 -3.85 -0.11 0.00 0.00 0.00 0.00 51.96 48.10 1j5i s ALA 63 Cb -0.22 -3.12 0.22 0.00 0.00 0.00 0.00 23.12 20.00 1j5i s ALA 63 CO -0.02 -2.17 1.40 -1.13 0.00 0.00 0.00 175.76 173.83 1j5i n SER 64 N 2.46 5.42 -4.60 0.00 3.41 -1.25 -0.06 113.62 119.00 1j5i n SER 64 Ca 0.23 -3.06 -0.34 0.00 -0.26 0.00 0.00 58.87 55.44 1j5i n SER 64 Cb 0.38 -1.47 -0.11 0.00 -0.26 0.00 0.00 64.21 62.75 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 0.07 3.85 -0.13 6.66 2.01 0.16 -4.89 115.64 123.37 1j5i s THR 65 Ca 0.37 -0.42 -0.11 0.00 0.31 0.00 0.00 61.69 61.85 1j5i s THR 65 Cb -0.03 -2.59 -0.05 0.00 0.01 0.00 0.00 72.50 69.84 1j5i s THR 65 CO -0.01 0.59 0.23 -0.94 -0.69 0.00 0.00 174.62 173.80 1j5i s SER 66 N -0.73 6.44 0.24 3.53 1.04 -1.26 0.78 113.70 123.73 1j5i s SER 66 Ca 0.11 0.52 -0.06 0.00 0.48 0.00 0.00 55.95 57.00 1j5i s SER 66 Cb -0.11 -2.14 -0.02 0.00 0.10 0.00 0.00 66.02 63.85 1j5i s SER 66 CO 0.02 0.26 0.31 -0.22 0.98 0.00 0.00 173.24 174.59 1j5i s LEU 67 N -0.31 0.82 -0.17 2.42 2.96 -0.44 -4.91 118.68 119.05 1j5i s LEU 67 Ca 0.15 -1.23 -0.06 0.00 -0.22 0.00 0.00 54.13 52.78 1j5i s LEU 67 Cb -0.13 1.06 -0.04 0.00 0.50 0.00 0.00 46.19 47.59 1j5i s LEU 67 CO 0.04 -1.02 0.02 -0.89 -1.32 0.00 0.00 176.35 173.19 1j5i s THR 68 N -3.96 4.42 -0.90 3.68 2.01 -1.26 -0.68 115.64 118.94 1j5i s THR 68 Ca 0.31 -0.17 -0.21 0.00 0.31 0.00 0.00 61.69 61.94 1j5i s THR 68 Cb 0.03 -2.97 0.09 0.00 0.01 0.00 0.00 72.50 69.67 1j5i s THR 68 CO 0.12 0.48 1.20 0.54 -0.69 0.00 0.00 174.62 176.28 1j5i s VAL 69 N 0.29 4.38 -1.30 3.82 0.11 0.14 -4.81 120.40 123.03 1j5i s VAL 69 Ca 0.01 -1.05 -0.11 0.00 -2.93 0.00 0.00 61.98 57.90 1j5i s VAL 69 Cb -0.13 -4.85 0.15 0.00 -1.53 0.00 0.00 36.38 30.01 1j5i s VAL 69 CO 0.01 -1.65 1.85 0.54 -3.33 0.00 0.00 175.10 172.52 1j5i n ARG 70 N 7.56 3.45 -0.44 1.54 1.74 -1.26 -0.93 116.66 128.33 1j5i n ARG 70 Ca 0.21 -3.44 0.38 0.00 -0.77 0.00 0.00 57.85 54.23 1j5i n ARG 70 Cb 0.49 -3.02 0.63 0.00 -1.02 0.00 0.00 32.46 29.54 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 4.69 -0.03 -3.85 5.56 0.63 -1.26 -4.16 116.66 118.24 1j5i n ARG 71 Ca 0.41 1.18 -0.32 0.00 -0.92 0.00 0.00 57.85 58.20 1j5i n ARG 71 Cb 0.38 -2.31 -0.04 0.00 0.45 0.00 0.00 32.46 30.93 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 -4.29 6.40 0.00 6.15 0.01 -1.26 0.55 113.70 121.26 1j5i s SER 72 Ca -0.07 0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.57 1j5i s SER 72 Cb 0.29 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.51 1j5i s SER 72 CO 0.77 0.16 0.00 2.22 0.41 0.00 0.00 173.24 176.80 1j5i n PHE 73 N 0.42 0.00 -3.34 2.43 1.16 -0.18 -4.93 117.46 113.02 1j5i n PHE 73 Ca -0.06 0.00 -0.46 0.00 -1.87 0.00 0.00 57.45 55.07 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 -1.92 3.09 0.88 3.97 2.12 -1.21 -1.18 118.70 124.46 1j5i s GLU 74 Ca 0.00 -1.92 -0.11 0.00 0.36 0.00 0.00 54.97 53.30 1j5i s GLU 74 Cb 0.00 -4.29 0.12 0.00 0.26 0.00 0.00 34.13 30.22 1j5i s GLU 74 CO 0.00 -1.31 1.10 0.20 -0.54 0.00 0.00 175.26 174.72 1j5i s GLY 75 N 3.11 1.65 -0.07 -1.50 0.00 0.23 -3.48 107.32 107.27 1j5i s GLY 75 Ca 0.07 0.24 -0.03 0.00 0.00 0.00 0.00 44.72 45.01 1j5i s GLY 75 CO -0.00 0.68 0.13 -1.36 0.00 0.00 0.00 173.10 172.55 1j5i s PHE 76 N -2.79 -0.12 0.93 1.90 0.40 0.23 -1.47 117.98 117.06 1j5i s PHE 76 Ca 0.64 0.47 -0.12 0.00 -0.60 0.00 0.00 56.93 57.32 1j5i s PHE 76 Cb -0.20 -0.24 0.06 0.00 0.51 0.00 0.00 43.02 43.15 1j5i s PHE 76 CO 0.58 -0.21 0.57 1.28 0.70 0.00 0.00 175.22 178.13 1j5i n LEU 77 N 4.87 0.58 0.09 -0.37 4.77 0.16 -0.37 117.00 126.74 1j5i n LEU 77 Ca -0.13 0.36 -0.05 0.00 -0.03 0.00 0.00 56.01 56.15 1j5i n LEU 77 Cb 0.50 -1.27 0.09 0.00 -2.33 0.00 0.00 43.42 40.42 1j5i n LEU 77 CO 0.10 -3.30 0.42 2.19 -1.33 0.00 0.00 177.39 175.47 1j5i h PHE 78 N -1.57 0.24 -0.13 -1.77 -5.15 -1.73 -3.21 116.94 103.61 1j5i h PHE 78 Ca -0.43 -0.10 0.04 0.00 -0.20 0.00 0.00 57.97 57.27 1j5i h PHE 78 Cb 1.28 -0.04 -0.04 0.00 0.22 0.00 0.00 35.95 37.37 1j5i h PHE 78 CO 0.41 0.80 -0.13 -0.44 -2.00 0.00 0.00 178.31 176.95 1j5i h ASP 79 N 0.12 -0.41 0.00 -0.68 3.32 -1.90 -3.46 116.42 113.41 1j5i h ASP 79 Ca -0.02 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1j5i h ASP 79 Cb 1.22 0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.97 1j5i h ASP 79 CO 0.10 -0.17 0.00 0.61 -1.72 0.00 0.00 179.24 178.06 1j5i n GLY 80 N -1.28 0.42 3.79 2.75 0.00 -1.21 -5.14 105.19 104.52 1j5i n GLY 80 Ca -0.03 0.00 -0.35 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 3.72 0.10 2.61 2.01 -1.26 -4.81 115.64 118.01 1j5i s THR 81 Ca 0.00 1.12 -0.16 0.00 0.31 0.00 0.00 61.69 62.97 1j5i s THR 81 Cb 0.00 -3.48 -0.07 0.00 0.01 0.00 0.00 72.50 68.96 1j5i s THR 81 CO 0.00 -0.18 0.53 -0.60 -0.69 0.00 0.00 174.62 173.68 1j5i s ARG 82 N -3.07 4.03 0.00 4.92 3.52 -1.26 0.40 118.95 127.49 1j5i s ARG 82 Ca 0.66 0.55 0.00 0.00 -0.13 0.00 0.00 55.73 56.81 1j5i s ARG 82 Cb -0.18 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 1j5i s ARG 82 CO 0.22 0.57 0.00 1.87 -0.81 0.00 0.00 175.30 177.15 1j5i n TRP 83 N 1.25 0.00 0.00 5.12 -0.00 -0.54 -4.77 117.44 118.50 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 3.20 -0.73 5.00 5.87 0.00 -1.05 -4.85 105.19 112.62 1j5i n GLY 84 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 0.77 114.28 115.36 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 -3.87 12.58 0.31 -0.32 -4.51 118.33 122.52 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 -0.16 0.00 -0.91 0.00 0.00 33.84 32.77 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 -2.81 3.49 -0.98 4.52 2.15 -1.26 -1.01 116.67 120.78 1j5i s ASP 87 Ca 0.00 -1.04 -0.07 0.00 0.43 0.00 0.00 52.55 51.87 1j5i s ASP 87 Cb 0.00 -0.97 -0.09 0.00 -0.30 0.00 0.00 42.92 41.56 1j5i s ASP 87 CO 0.00 -0.26 2.55 0.00 -0.17 0.00 0.00 175.17 177.29 1j5i n THR 89 N 3.67 0.75 -0.10 0.00 5.66 -1.26 -4.56 114.28 118.45 1j5i n THR 89 Ca 0.54 -0.69 -0.18 0.00 -3.05 0.00 0.00 64.05 60.66 1j5i n THR 89 Cb 0.28 -0.25 -0.10 0.00 -1.55 0.00 0.00 70.33 68.71 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 0.83 -3.44 1.09 2.02 -1.98 -3.47 112.91 107.97 1j5i h THR 90 Ca -0.30 -1.99 -0.54 0.00 0.77 0.00 0.00 66.41 64.35 1j5i h THR 90 Cb 1.67 1.94 -0.03 0.00 -1.74 0.00 0.00 68.15 69.99 1j5i h THR 90 CO 0.02 0.28 -0.05 0.00 0.37 0.00 0.00 175.52 176.14 1j5i s ALA 91 N -2.41 3.52 -0.19 6.16 0.00 -1.26 -5.04 121.76 122.54 1j5i s ALA 91 Ca -0.25 -0.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.35 1j5i s ALA 91 Cb 0.04 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.59 1j5i s ALA 91 CO 0.53 0.44 0.77 0.00 0.00 0.00 0.00 175.76 177.50 1j5i s ALA 92 N -1.64 3.55 -0.27 0.00 0.00 -1.26 -4.80 121.76 117.34 1j5i s ALA 92 Ca 0.43 -0.10 -0.19 0.00 0.00 0.00 0.00 51.96 52.10 1j5i s ALA 92 Cb -0.13 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 1j5i s ALA 92 CO 0.20 -0.68 0.58 0.00 0.00 0.00 0.00 175.76 175.85 1j5i s GLN 94 N 2.44 3.69 -0.20 0.00 -0.21 -0.50 -0.86 119.66 124.02 1j5i s GLN 94 Ca 0.24 0.01 -0.22 0.00 0.02 0.00 0.00 55.36 55.41 1j5i s GLN 94 Cb -0.15 -3.79 -0.02 0.00 1.00 0.00 0.00 33.01 30.04 1j5i s GLN 94 CO 0.10 -0.67 0.67 0.08 -2.12 0.00 0.00 175.29 173.34 1j5i s VAL 95 N 2.57 4.99 0.08 1.09 1.01 0.63 0.13 120.40 130.90 1j5i s VAL 95 Ca 0.22 1.27 -0.27 0.00 0.00 0.00 0.00 61.98 63.20 1j5i s VAL 95 Cb -0.15 -3.98 0.09 0.00 0.00 0.00 0.00 36.38 32.34 1j5i s VAL 95 CO 0.14 0.08 1.10 -0.83 0.00 0.00 0.00 175.10 175.59 1j5i s GLY 96 N 1.22 -0.30 -0.27 4.51 0.00 -1.10 -1.06 107.32 110.32 1j5i s GLY 96 Ca 0.30 0.35 -0.08 0.00 0.00 0.00 0.00 44.72 45.30 1j5i s GLY 96 CO 0.10 0.10 0.08 0.48 0.00 0.00 0.00 173.10 173.87 1j5i s LEU 97 N -2.97 3.63 0.42 0.66 2.34 -1.26 -1.06 118.68 120.44 1j5i s LEU 97 Ca 0.13 -0.36 -0.03 0.00 0.06 0.00 0.00 54.13 53.93 1j5i s LEU 97 Cb 0.01 -1.93 -0.04 0.00 -0.56 0.00 0.00 46.19 43.68 1j5i s LEU 97 CO -0.00 -0.09 0.68 -0.94 -1.06 0.00 0.00 176.35 174.93 1j5i s SER 98 N 1.59 6.28 1.02 1.48 1.04 0.17 -4.78 113.70 120.51 1j5i s SER 98 Ca 0.05 0.72 -0.12 0.00 0.48 0.00 0.00 55.95 57.08 1j5i s SER 98 Cb -0.16 -2.15 0.16 0.00 0.10 0.00 0.00 66.02 63.97 1j5i s SER 98 CO 0.04 -0.45 0.80 0.47 0.98 0.00 0.00 173.24 175.08 1j5i n ASP 99 N -2.03 -1.10 0.21 7.02 10.43 0.49 0.08 116.55 131.65 1j5i n ASP 99 Ca -0.02 0.17 0.15 0.00 2.57 0.00 0.00 54.79 57.66 1j5i n ASP 99 Cb 0.56 -1.29 0.73 0.00 1.84 0.00 0.00 41.12 42.95 1j5i n ASP 99 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1j5i h ALA 100 N -2.07 1.00 0.00 2.24 0.00 -1.87 0.11 119.26 118.67 1j5i h ALA 100 Ca -0.50 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1j5i h ALA 100 Cb 1.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1j5i h ALA 100 CO 0.41 0.00 -0.25 0.00 0.00 0.00 0.00 179.25 179.42 1j5i h ALA 101 N 2.07 0.90 -0.04 0.00 0.00 -1.96 -3.47 119.26 116.74 1j5i h ALA 101 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1j5i h ALA 101 Cb 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1j5i h ALA 101 CO 0.00 0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1j5i n GLY 102 N 0.73 1.08 3.18 0.00 0.00 0.39 -5.12 105.19 105.46 1j5i n GLY 102 Ca 0.02 -0.03 -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 0.54 0.00 0.00 0.00 173.32 173.86 1j5i s ASN 103 N -2.05 0.12 0.00 1.61 2.20 -1.24 -4.91 114.94 110.68 1j5i s ASN 103 Ca 0.00 -0.57 0.00 0.00 -0.94 0.00 0.00 52.86 51.35 1j5i s ASN 103 Cb 0.00 0.31 0.00 0.00 -2.00 0.00 0.00 41.25 39.56 1j5i s ASN 103 CO 0.00 -0.65 0.00 0.61 -2.94 0.00 0.00 177.10 174.12 1j5i n GLY 104 N 0.25 3.07 0.00 0.45 0.00 -1.26 0.18 105.19 107.88 1j5i n GLY 104 Ca -0.16 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 45.93 1j5i n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j5i n PRO 105 N 0.00 0.33 -2.11 1.61 -0.04 -1.26 -4.79 135.00 128.75 1j5i n PRO 105 Ca 0.00 0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 63.11 1j5i n PRO 105 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 -2.55 4.30 0.00 0.54 2.02 -1.26 -4.94 118.70 116.80 1j5i s GLU 106 Ca 0.22 2.16 0.00 0.00 0.02 0.00 0.00 54.97 57.37 1j5i s GLU 106 Cb 0.15 -3.21 0.00 0.00 0.10 0.00 0.00 34.13 31.17 1j5i s GLU 106 CO 0.34 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.57 1j5i n GLY 107 N 3.38 3.05 3.51 -1.39 0.00 -1.26 -4.31 105.19 108.17 1j5i n GLY 107 Ca 0.11 0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 4.27 -0.82 1.61 0.11 -0.22 -4.64 120.40 120.65 1j5i s VAL 108 Ca 0.00 -0.20 -0.25 0.00 -2.93 0.00 0.00 61.98 58.59 1j5i s VAL 108 Cb 0.00 -2.94 -0.08 0.00 -1.53 0.00 0.00 36.38 31.83 1j5i s VAL 108 CO 0.00 0.42 2.13 0.00 -3.33 0.00 0.00 175.10 174.32 1j5i s ALA 109 N 0.87 1.35 -0.04 1.54 0.00 -1.25 -0.27 121.76 123.96 1j5i s ALA 109 Ca 0.02 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 50.87 1j5i s ALA 109 Cb -0.14 -4.54 -0.03 0.00 0.00 0.00 0.00 23.12 18.41 1j5i s ALA 109 CO 0.02 -5.14 -0.05 -1.50 0.00 0.00 0.00 175.76 169.10 1j5i s ILE 110 N 11.80 3.82 0.00 0.00 1.10 -0.04 -4.73 121.20 133.16 1j5i s ILE 110 Ca 0.79 -0.56 0.00 0.00 -0.51 0.00 0.00 60.65 60.37 1j5i s ILE 110 Cb -0.10 -2.62 0.00 0.00 0.15 0.00 0.00 42.46 39.89 1j5i s ILE 110 CO 0.05 0.50 0.00 -1.20 -2.11 0.00 0.00 174.94 172.18 1j5i n SER 111 N 1.89 0.00 -3.46 4.50 7.64 -0.59 -4.31 113.62 119.29 1j5i n SER 111 Ca -0.17 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.66 1j5i n SER 111 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 -0.02 -2.28 1.43 5.36 -1.21 -1.58 117.98 119.68 1j5i s PHE 112 Ca 0.00 -0.43 0.30 0.00 -0.96 0.00 0.00 56.93 55.84 1j5i s PHE 112 Cb 0.00 0.72 1.43 0.00 -0.34 0.00 0.00 43.02 44.83 1j5i s PHE 112 CO 0.00 -1.09 1.96 -1.71 -1.46 0.00 0.00 175.22 172.92