#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 0.00 -2.41 0.00 0.00 -1.26 -5.13 120.51 111.71 1j5i n ALA 2 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1j5i n ALA 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.00 4.19 1.92 0.00 0.04 -1.26 -4.23 135.00 135.67 1j5i s PRO 3 Ca 0.00 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1j5i s PRO 3 Cb 0.00 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.75 1j5i s PRO 3 CO 0.00 -0.76 0.00 0.25 0.04 0.00 0.00 177.00 176.53 1j5i n THR 4 N 5.47 0.00 -2.89 1.26 -2.24 -1.07 -4.25 114.28 110.57 1j5i n THR 4 Ca 0.14 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.51 1j5i n THR 4 Cb 0.45 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.64 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 -1.35 3.48 -0.03 6.98 0.00 -1.23 -1.44 121.76 128.18 1j5i s ALA 5 Ca 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 51.96 51.97 1j5i s ALA 5 Cb 0.00 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.91 1j5i s ALA 5 CO 0.00 -0.58 0.15 0.95 0.00 0.00 0.00 175.76 176.27 1j5i s THR 6 N 1.98 0.04 -0.25 0.00 -4.23 -0.51 -4.70 115.64 107.98 1j5i s THR 6 Ca 0.39 -0.37 -0.21 0.00 -1.18 0.00 0.00 61.69 60.32 1j5i s THR 6 Cb -0.17 -0.33 -0.02 0.00 1.34 0.00 0.00 72.50 73.32 1j5i s THR 6 CO 0.14 -0.20 0.68 -0.69 -0.54 0.00 0.00 174.62 174.01 1j5i s VAL 7 N -0.68 4.95 0.00 2.29 1.01 -1.26 -1.32 120.40 125.38 1j5i s VAL 7 Ca -0.08 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.16 1j5i s VAL 7 Cb -0.05 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1j5i s VAL 7 CO 0.01 0.01 0.98 0.41 0.00 0.00 0.00 175.10 176.51 1j5i n THR 8 N 5.16 0.00 -0.90 3.92 -1.04 -0.82 -2.75 114.28 117.85 1j5i n THR 8 Ca 0.01 1.48 -0.21 0.00 -2.04 0.00 0.00 64.05 63.28 1j5i n THR 8 Cb 0.49 -2.33 -0.06 0.00 -1.82 0.00 0.00 70.33 66.60 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 -2.22 2.29 -0.46 -2.82 -0.04 -1.26 -4.45 135.00 126.04 1j5i n PRO 9 Ca 0.00 -1.38 -0.01 0.00 -0.04 0.00 0.00 63.50 62.07 1j5i n PRO 9 Cb 0.00 -2.32 0.16 0.00 -0.04 0.00 0.00 33.50 31.29 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 3.42 3.24 -4.40 3.54 3.41 -1.11 -4.54 113.62 117.19 1j5i n SER 10 Ca 0.49 -2.53 -0.33 0.00 -0.26 0.00 0.00 58.87 56.24 1j5i n SER 10 Cb 0.37 -0.61 -0.14 0.00 -0.26 0.00 0.00 64.21 63.58 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 -0.26 4.28 -1.26 4.04 0.15 -1.26 -1.43 113.70 117.96 1j5i s SER 11 Ca 0.25 -0.28 -0.02 0.00 0.70 0.00 0.00 55.95 56.61 1j5i s SER 11 Cb 0.20 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.83 1j5i s SER 11 CO 0.07 0.14 0.03 0.61 1.20 0.00 0.00 173.24 175.29 1j5i n GLY 12 N 3.73 -0.13 1.60 9.45 0.00 -0.89 -4.86 105.19 114.09 1j5i n GLY 12 Ca -0.18 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.98 0.00 -3.93 0.99 4.32 -0.55 -4.67 117.00 109.18 1j5i n LEU 13 Ca -0.26 -0.31 -0.10 0.00 -0.02 0.00 0.00 56.01 55.32 1j5i n LEU 13 Cb 0.57 -0.44 -0.10 0.00 -1.62 0.00 0.00 43.42 41.83 1j5i n LEU 13 CO 0.69 -1.99 -0.24 -0.55 -1.22 0.00 0.00 177.39 174.08 1j5i s SER 14 N -2.07 0.16 -0.82 -1.43 0.15 -1.26 -3.09 113.70 105.34 1j5i s SER 14 Ca 0.24 -0.44 -0.19 0.00 0.70 0.00 0.00 55.95 56.25 1j5i s SER 14 Cb -0.04 0.19 -0.19 0.00 -1.71 0.00 0.00 66.02 64.26 1j5i s SER 14 CO 0.20 -0.42 2.15 -0.67 1.20 0.00 0.00 173.24 175.70 1j5i n ASP 15 N 1.15 0.49 0.00 5.45 4.64 -1.26 -0.01 116.55 127.01 1j5i n ASP 15 Ca -0.21 -1.43 0.00 0.00 -1.38 0.00 0.00 54.79 51.77 1j5i n ASP 15 Cb 0.57 -1.28 0.00 0.00 -1.04 0.00 0.00 41.12 39.37 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 6.12 0.69 3.69 0.27 0.00 0.51 -4.76 105.19 111.72 1j5i n GLY 16 Ca 0.46 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.29 5.16 -0.37 2.61 2.01 0.98 -4.59 115.64 120.15 1j5i s THR 17 Ca 0.00 0.92 -0.29 0.00 0.31 0.00 0.00 61.69 62.63 1j5i s THR 17 Cb 0.00 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.70 1j5i s THR 17 CO 0.00 0.26 1.43 -0.69 -0.69 0.00 0.00 174.62 174.92 1j5i s VAL 18 N 1.12 3.92 0.31 3.82 1.01 -1.26 0.22 120.40 129.53 1j5i s VAL 18 Ca 0.24 0.97 0.11 0.00 0.00 0.00 0.00 61.98 63.30 1j5i s VAL 18 Cb -0.15 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.05 1j5i s VAL 18 CO 0.10 -0.63 -0.15 0.68 0.00 0.00 0.00 175.10 175.09 1j5i s VAL 19 N 5.25 2.37 -0.26 2.92 -7.23 0.11 -4.88 120.40 118.69 1j5i s VAL 19 Ca 0.62 -2.32 -0.03 0.00 -1.81 0.00 0.00 61.98 58.44 1j5i s VAL 19 Cb -0.16 -2.45 0.02 0.00 0.56 0.00 0.00 36.38 34.36 1j5i s VAL 19 CO 0.30 -0.32 -0.03 -0.75 -0.31 0.00 0.00 175.10 173.99 1j5i s LYS 20 N -3.55 2.89 -0.81 4.82 2.20 -1.26 -1.42 119.74 122.61 1j5i s LYS 20 Ca 0.31 -0.95 -0.19 0.00 -0.36 0.00 0.00 55.97 54.78 1j5i s LYS 20 Cb -0.02 -3.06 0.12 0.00 -1.51 0.00 0.00 37.83 33.36 1j5i s LYS 20 CO 0.16 -0.41 1.00 0.08 -0.36 0.00 0.00 175.35 175.82 1j5i s VAL 21 N 1.36 4.71 -0.23 4.02 1.01 0.23 -1.95 120.40 129.55 1j5i s VAL 21 Ca 0.01 -1.27 -0.22 0.00 0.00 0.00 0.00 61.98 60.50 1j5i s VAL 21 Cb -0.17 -4.69 -0.02 0.00 0.00 0.00 0.00 36.38 31.51 1j5i s VAL 21 CO -0.03 -1.40 0.69 0.00 0.00 0.00 0.00 175.10 174.35 1j5i s ALA 22 N 2.82 3.60 -0.24 5.51 0.00 -0.44 -0.88 121.76 132.13 1j5i s ALA 22 Ca 0.26 -0.30 -0.08 0.00 0.00 0.00 0.00 51.96 51.84 1j5i s ALA 22 Cb -0.11 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 1j5i s ALA 22 CO -0.02 -0.77 0.09 0.20 0.00 0.00 0.00 175.76 175.26 1j5i s GLY 23 N 1.36 1.82 -0.34 0.00 0.00 0.36 -1.42 107.32 109.11 1j5i s GLY 23 Ca 0.29 -1.04 0.03 0.00 0.00 0.00 0.00 44.72 44.00 1j5i s GLY 23 CO 0.09 0.46 0.05 0.00 0.00 0.00 0.00 173.10 173.69 1j5i s ALA 24 N 1.39 2.89 0.00 3.20 0.00 -0.52 -1.15 121.76 127.57 1j5i s ALA 24 Ca 0.06 -2.47 0.00 0.00 0.00 0.00 0.00 51.96 49.55 1j5i s ALA 24 Cb -0.15 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.00 1j5i s ALA 24 CO 0.05 -1.65 0.00 0.41 0.00 0.00 0.00 175.76 174.56 1j5i n GLY 25 N 4.29 0.97 0.00 0.00 0.00 0.51 -2.58 105.19 108.38 1j5i n GLY 25 Ca 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.52 0.99 0.00 -0.55 -4.81 117.00 108.12 1j5i n LEU 26 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 56.01 55.77 1j5i n LEU 26 Cb 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 43.42 43.36 1j5i n LEU 26 CO 0.00 0.00 1.92 0.00 0.00 0.00 0.00 177.39 179.31 1j5i n GLN 27 N 0.00 0.17 -1.65 1.96 1.13 -1.26 -4.46 117.38 113.27 1j5i n GLN 27 Ca 0.00 -0.18 -0.16 0.00 -1.94 0.00 0.00 57.00 54.72 1j5i n GLN 27 Cb 0.00 -1.77 -0.09 0.00 0.11 0.00 0.00 30.24 28.49 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 5.08 0.72 0.00 -1.58 0.00 -1.26 -1.72 121.76 123.01 1j5i s ALA 28 Ca 1.23 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1j5i s ALA 28 Cb -0.72 -4.64 0.00 0.00 0.00 0.00 0.00 23.12 17.76 1j5i s ALA 28 CO 0.44 -6.26 0.00 0.41 0.00 0.00 0.00 175.76 170.35 1j5i n GLY 29 N 6.46 0.62 2.78 0.00 0.00 0.16 -4.77 105.19 110.44 1j5i n GLY 29 Ca 0.44 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.29 1j5i n GLY 29 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j5i n THR 30 N -2.56 0.00 -3.69 2.61 -2.24 -0.70 -4.79 114.28 102.91 1j5i n THR 30 Ca 0.00 -1.10 -0.17 0.00 -2.27 0.00 0.00 64.05 60.51 1j5i n THR 30 Cb 0.03 -1.07 -0.16 0.00 -2.10 0.00 0.00 70.33 67.04 1j5i n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j5i s ALA 31 N -3.11 -0.10 0.44 6.98 0.00 -1.26 -1.44 121.76 123.26 1j5i s ALA 31 Ca 0.48 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.96 1j5i s ALA 31 Cb -0.03 -0.68 0.01 0.00 0.00 0.00 0.00 23.12 22.42 1j5i s ALA 31 CO 0.32 -0.44 0.06 0.66 0.00 0.00 0.00 175.76 176.36 1j5i n TYR 32 N 5.02 0.68 -3.42 0.00 4.02 0.59 -4.38 117.16 119.68 1j5i n TYR 32 Ca -0.10 -2.09 -0.42 0.00 -0.01 0.00 0.00 57.90 55.28 1j5i n TYR 32 Cb 0.50 -0.30 -0.10 0.00 -0.02 0.00 0.00 39.34 39.43 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 -3.43 6.15 0.17 7.72 -1.08 0.40 0.19 116.67 126.79 1j5i s ASP 33 Ca 0.05 -0.51 -0.22 0.00 -0.52 0.00 0.00 52.55 51.34 1j5i s ASP 33 Cb -0.00 -2.19 -0.08 0.00 -1.46 0.00 0.00 42.92 39.19 1j5i s ASP 33 CO 0.03 -0.40 0.72 0.54 0.52 0.00 0.00 175.17 176.57 1j5i s VAL 34 N 1.93 4.51 0.00 1.11 0.11 -0.31 0.29 120.40 128.04 1j5i s VAL 34 Ca 0.09 1.45 0.00 0.00 -2.93 0.00 0.00 61.98 60.59 1j5i s VAL 34 Cb -0.17 -3.98 0.00 0.00 -1.53 0.00 0.00 36.38 30.69 1j5i s VAL 34 CO 0.12 0.40 0.00 0.61 -3.33 0.00 0.00 175.10 172.90 1j5i n GLY 35 N 1.27 2.95 3.41 6.54 0.00 -0.04 -0.86 105.19 118.46 1j5i n GLY 35 Ca -0.05 -0.72 -0.44 0.00 0.00 0.00 0.00 46.02 44.81 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 3.07 0.14 1.61 -2.07 -1.25 -1.89 119.66 117.26 1j5i s GLN 36 Ca 0.00 -1.13 0.04 0.00 -1.82 0.00 0.00 55.36 52.46 1j5i s GLN 36 Cb 0.00 -4.24 -0.04 0.00 -1.09 0.00 0.00 33.01 27.64 1j5i s GLN 36 CO 0.00 -1.61 0.12 0.00 -1.32 0.00 0.00 175.29 172.48 1j5i n ALA 38 N -0.11 0.00 -2.43 0.00 0.00 -0.45 -1.57 120.51 115.95 1j5i n ALA 38 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 1j5i n ALA 38 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 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 2.48 -0.25 0.00 1.48 -1.26 0.39 118.94 119.78 1j5i s TRP 39 Ca 0.00 0.63 -0.08 0.00 -1.06 0.00 0.00 56.10 55.59 1j5i s TRP 39 Cb 0.00 -4.37 -0.16 0.00 -1.16 0.00 0.00 33.47 27.78 1j5i s TRP 39 CO 0.00 -1.80 -0.18 1.55 -4.06 0.00 0.00 176.95 172.46 1j5i n VAL 40 N 6.97 1.54 -0.92 -0.66 3.14 -0.65 -4.62 118.33 123.13 1j5i n VAL 40 Ca 0.14 -0.45 0.00 0.00 -2.96 0.00 0.00 64.34 61.08 1j5i n VAL 40 Cb 0.49 -1.71 0.00 0.00 -1.06 0.00 0.00 33.84 31.55 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 -3.82 0.00 -4.57 6.55 4.64 -1.22 -4.83 116.55 113.30 1j5i n ASP 41 Ca -0.47 -0.28 -0.16 0.00 -1.38 0.00 0.00 54.79 52.50 1j5i n ASP 41 Cb 0.92 0.00 -0.11 0.00 -1.04 0.00 0.00 41.12 40.89 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 -0.47 0.26 -1.94 5.18 -1.04 -1.26 -2.86 114.28 112.15 1j5i n THR 42 Ca 0.00 -0.27 -0.19 0.00 -2.04 0.00 0.00 64.05 61.55 1j5i n THR 42 Cb 0.00 -2.02 -0.05 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 6.08 0.77 3.45 3.41 0.00 -1.26 -4.94 105.19 112.69 1j5i n GLY 43 Ca 0.42 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.82 5.11 -0.83 1.61 1.01 -1.14 -4.95 120.40 118.39 1j5i s VAL 44 Ca 0.00 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.14 1j5i s VAL 44 Cb 0.00 -4.09 -0.08 0.00 0.00 0.00 0.00 36.38 32.21 1j5i s VAL 44 CO 0.00 -0.51 2.15 -0.22 0.00 0.00 0.00 175.10 176.52 1j5i s LEU 45 N 2.04 3.05 0.01 3.92 0.20 -1.26 -1.63 118.68 125.01 1j5i s LEU 45 Ca 0.10 -0.28 -0.00 0.00 0.69 0.00 0.00 54.13 54.63 1j5i s LEU 45 Cb -0.19 -2.55 -0.04 0.00 -0.43 0.00 0.00 46.19 42.98 1j5i s LEU 45 CO 0.11 -3.21 0.10 0.00 -0.29 0.00 0.00 176.35 173.06 1j5i s ALA 46 N 12.08 3.65 0.14 5.97 0.00 0.16 -1.41 121.76 142.36 1j5i s ALA 46 Ca 0.80 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.93 1j5i s ALA 46 Cb -0.10 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 1j5i s ALA 46 CO 0.04 0.72 0.12 0.00 0.00 0.00 0.00 175.76 176.64 1j5i s ASN 48 N -2.91 4.21 0.33 0.00 0.02 -1.12 -0.27 114.94 115.21 1j5i s ASN 48 Ca 0.30 1.04 0.26 0.00 -1.02 0.00 0.00 52.86 53.45 1j5i s ASN 48 Cb -0.11 -1.67 0.89 0.00 0.02 0.00 0.00 41.25 40.39 1j5i s ASN 48 CO 0.23 -2.12 1.77 1.55 0.02 0.00 0.00 177.10 178.55 1j5i h PRO 49 N -1.20 0.00 -0.53 -0.60 0.13 -1.83 -2.53 132.00 125.45 1j5i h PRO 49 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1j5i h PRO 49 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1j5i h PRO 49 CO 0.62 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.39 1j5i n ALA 50 N -1.90 2.61 0.69 -0.56 0.00 -1.26 -4.24 120.51 115.84 1j5i n ALA 50 Ca 0.03 -1.46 0.06 0.00 0.00 0.00 0.00 53.44 52.07 1j5i n ALA 50 Cb 0.36 -0.77 0.18 0.00 0.00 0.00 0.00 19.45 19.22 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 0.87 2.22 -4.18 0.00 -0.08 -0.95 -4.59 116.55 109.85 1j5i n ASP 51 Ca 0.20 -2.05 -0.39 0.00 -1.51 0.00 0.00 54.79 51.05 1j5i n ASP 51 Cb 0.68 -0.29 -0.05 0.00 2.34 0.00 0.00 41.12 43.79 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 -1.52 3.82 -0.41 -0.67 0.08 -1.20 -3.12 117.98 114.96 1j5i s PHE 52 Ca 0.26 -2.74 0.05 0.00 0.12 0.00 0.00 56.93 54.61 1j5i s PHE 52 Cb 0.14 -3.42 0.17 0.00 -0.57 0.00 0.00 43.02 39.34 1j5i s PHE 52 CO 0.17 -0.84 0.46 0.45 -0.10 0.00 0.00 175.22 175.36 1j5i s SER 53 N 0.64 0.45 0.25 1.36 0.15 -0.04 -4.98 113.70 111.53 1j5i s SER 53 Ca 0.24 -1.76 -0.31 0.00 0.70 0.00 0.00 55.95 54.82 1j5i s SER 53 Cb -0.11 0.79 -0.13 0.00 -1.71 0.00 0.00 66.02 64.86 1j5i s SER 53 CO -0.09 -0.20 1.49 -1.54 1.20 0.00 0.00 173.24 174.10 1j5i n SER 54 N 3.82 3.14 -4.41 5.45 3.41 -1.26 -1.16 113.62 122.61 1j5i n SER 54 Ca 0.15 1.13 -0.20 0.00 -0.26 0.00 0.00 58.87 59.70 1j5i n SER 54 Cb 0.49 -1.48 -0.10 0.00 -0.26 0.00 0.00 64.21 62.85 1j5i n SER 54 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1j5i s VAL 55 N 0.09 1.13 -0.01 -3.33 -7.23 0.13 -4.80 120.40 106.39 1j5i s VAL 55 Ca 0.68 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 1j5i s VAL 55 Cb -0.60 -2.65 0.01 0.00 0.56 0.00 0.00 36.38 33.69 1j5i s VAL 55 CO 0.48 -0.10 -0.00 -0.89 -0.31 0.00 0.00 175.10 174.27 1j5i s THR 56 N -3.35 0.06 -0.16 5.32 2.01 -1.26 -0.30 115.64 117.96 1j5i s THR 56 Ca 0.34 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.27 1j5i s THR 56 Cb 0.08 -0.08 -0.04 0.00 0.01 0.00 0.00 72.50 72.46 1j5i s THR 56 CO 0.13 0.04 0.11 0.00 -0.69 0.00 0.00 174.62 174.21 1j5i s ALA 57 N 0.19 3.65 0.90 7.40 0.00 -0.52 -4.48 121.76 128.90 1j5i s ALA 57 Ca -0.02 -0.70 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 1j5i s ALA 57 Cb -0.03 -2.01 0.04 0.00 0.00 0.00 0.00 23.12 21.13 1j5i s ALA 57 CO -0.01 0.33 0.59 -0.25 0.00 0.00 0.00 175.76 176.42 1j5i n ASP 58 N 2.98 -1.36 -0.60 0.00 8.00 0.57 0.35 116.55 126.50 1j5i n ASP 58 Ca -0.17 0.40 0.48 0.00 0.71 0.00 0.00 54.79 56.21 1j5i n ASP 58 Cb 0.53 -1.27 0.77 0.00 -0.02 0.00 0.00 41.12 41.13 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 -1.37 3.67 -0.44 2.24 0.00 -1.87 3.05 119.26 124.53 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 1.29 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 19.08 1j5i h ALA 59 CO 0.37 -2.23 0.33 -1.71 0.00 0.00 0.00 179.25 176.01 1j5i n ASN 60 N -3.87 4.70 -4.34 0.00 2.85 -1.26 -4.23 115.26 109.10 1j5i n ASN 60 Ca 0.39 -2.85 -0.38 0.00 -0.11 0.00 0.00 54.58 51.63 1j5i n ASN 60 Cb 1.86 -0.83 -0.05 0.00 1.24 0.00 0.00 39.78 42.00 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 -0.41 3.33 8.20 0.00 1.01 -4.16 105.19 113.24 1j5i n GLY 61 Ca 0.27 0.11 -0.46 0.00 0.00 0.00 0.00 46.02 45.94 1j5i n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j5i s SER 62 N -3.37 6.56 -0.98 1.61 0.01 -0.93 -0.36 113.70 116.23 1j5i s SER 62 Ca 0.72 -2.33 -0.11 0.00 1.31 0.00 0.00 55.95 55.53 1j5i s SER 62 Cb -0.40 -2.22 0.25 0.00 0.21 0.00 0.00 66.02 63.85 1j5i s SER 62 CO 0.97 -0.71 0.96 0.00 0.41 0.00 0.00 173.24 174.87 1j5i s ALA 63 N 0.84 4.45 -1.14 1.44 0.00 -0.30 -0.31 121.76 126.73 1j5i s ALA 63 Ca 0.14 -3.61 -0.10 0.00 0.00 0.00 0.00 51.96 48.39 1j5i s ALA 63 Cb -0.16 -3.55 0.25 0.00 0.00 0.00 0.00 23.12 19.66 1j5i s ALA 63 CO -0.05 -2.24 1.23 -1.13 0.00 0.00 0.00 175.76 173.58 1j5i n SER 64 N 3.27 5.49 -4.52 0.00 3.41 -1.25 0.14 113.62 120.16 1j5i n SER 64 Ca 0.19 -3.05 -0.34 0.00 -0.26 0.00 0.00 58.87 55.42 1j5i n SER 64 Cb 0.43 -1.42 -0.12 0.00 -0.26 0.00 0.00 64.21 62.84 1j5i n SER 64 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1j5i s THR 65 N -0.65 3.90 -0.10 6.66 -1.32 -0.06 -4.94 115.64 119.13 1j5i s THR 65 Ca 0.34 -0.36 -0.01 0.00 -1.21 0.00 0.00 61.69 60.45 1j5i s THR 65 Cb -0.07 -2.69 -0.03 0.00 -1.51 0.00 0.00 72.50 68.20 1j5i s THR 65 CO -0.05 0.51 -0.05 -0.94 -2.21 0.00 0.00 174.62 171.88 1j5i s SER 66 N 0.18 4.78 0.31 8.08 1.04 -1.26 0.77 113.70 127.60 1j5i s SER 66 Ca -0.02 -0.03 -0.08 0.00 0.48 0.00 0.00 55.95 56.30 1j5i s SER 66 Cb -0.14 -1.43 0.00 0.00 0.10 0.00 0.00 66.02 64.56 1j5i s SER 66 CO 0.03 0.30 0.50 -0.22 0.98 0.00 0.00 173.24 174.83 1j5i s LEU 67 N -0.43 0.66 -0.14 2.42 1.98 -0.51 -4.96 118.68 117.71 1j5i s LEU 67 Ca 0.07 -1.25 -0.06 0.00 -2.89 0.00 0.00 54.13 50.00 1j5i s LEU 67 Cb -0.12 1.68 -0.04 0.00 0.66 0.00 0.00 46.19 48.37 1j5i s LEU 67 CO 0.02 -1.27 0.09 -0.89 -1.89 0.00 0.00 176.35 172.41 1j5i s THR 68 N -3.36 5.05 -0.99 3.68 2.01 -1.26 0.10 115.64 120.87 1j5i s THR 68 Ca 0.26 0.04 -0.18 0.00 0.31 0.00 0.00 61.69 62.13 1j5i s THR 68 Cb -0.01 -3.22 0.14 0.00 0.01 0.00 0.00 72.50 69.42 1j5i s THR 68 CO 0.15 0.55 1.20 -0.69 -0.69 0.00 0.00 174.62 175.14 1j5i s VAL 69 N -0.44 4.77 -0.57 3.82 1.01 0.59 -4.74 120.40 124.84 1j5i s VAL 69 Ca 0.10 -1.78 -0.19 0.00 0.00 0.00 0.00 61.98 60.11 1j5i s VAL 69 Cb -0.12 -4.82 0.09 0.00 0.00 0.00 0.00 36.38 31.53 1j5i s VAL 69 CO 0.02 -1.54 0.71 -0.13 0.00 0.00 0.00 175.10 174.15 1j5i s ARG 70 N 2.51 3.08 0.25 2.72 0.52 -1.26 0.19 118.95 126.96 1j5i s ARG 70 Ca 0.35 -1.12 0.13 0.00 -0.52 0.00 0.00 55.73 54.57 1j5i s ARG 70 Cb -0.04 -4.21 0.09 0.00 0.52 0.00 0.00 34.95 31.31 1j5i s ARG 70 CO -0.07 -1.47 1.45 -0.09 0.02 0.00 0.00 175.30 175.14 1j5i h ARG 71 N 9.17 0.00 -4.70 3.54 2.43 -1.86 -3.42 114.38 119.53 1j5i h ARG 71 Ca -0.29 0.00 -0.69 0.00 -0.81 0.00 0.00 59.98 58.20 1j5i h ARG 71 Cb 1.09 0.00 -0.19 0.00 -0.42 0.00 0.00 29.97 30.45 1j5i h ARG 71 CO 1.07 0.63 -0.43 0.45 -1.51 0.00 0.00 179.97 180.18 1j5i s SER 72 N -6.54 6.10 0.00 -3.80 0.15 -1.24 -1.43 113.70 106.93 1j5i s SER 72 Ca 0.02 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1j5i s SER 72 Cb 0.09 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 1j5i s SER 72 CO 0.76 -0.32 0.00 0.33 1.20 0.00 0.00 173.24 175.21 1j5i n PHE 73 N 5.18 0.00 -3.21 3.44 -0.00 -0.69 -4.96 117.46 117.22 1j5i n PHE 73 Ca -0.11 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 56.94 1j5i n PHE 73 Cb 0.49 0.00 -0.07 0.00 -0.00 0.00 0.00 39.48 39.90 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 -1.45 4.18 0.32 -4.13 2.12 -1.24 -0.62 118.70 117.88 1j5i s GLU 74 Ca 0.00 0.45 0.07 0.00 0.36 0.00 0.00 54.97 55.85 1j5i s GLU 74 Cb 0.00 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.79 1j5i s GLU 74 CO 0.00 -0.20 0.34 0.20 -0.54 0.00 0.00 175.26 175.06 1j5i s GLY 75 N 1.21 1.66 -0.05 -1.50 0.00 -0.09 -2.39 107.32 106.16 1j5i s GLY 75 Ca 0.25 -1.55 0.06 0.00 0.00 0.00 0.00 44.72 43.48 1j5i s GLY 75 CO 0.10 -1.49 -0.23 -1.36 0.00 0.00 0.00 173.10 170.11 1j5i s PHE 76 N -2.23 2.27 1.00 1.90 0.40 0.63 -1.15 117.98 120.79 1j5i s PHE 76 Ca 0.41 -0.65 -0.17 0.00 -0.60 0.00 0.00 56.93 55.92 1j5i s PHE 76 Cb -0.07 -1.49 0.06 0.00 0.51 0.00 0.00 43.02 42.02 1j5i s PHE 76 CO 0.28 -0.19 -0.20 1.28 0.70 0.00 0.00 175.22 177.09 1j5i n LEU 77 N 2.94 -2.07 0.13 -0.37 4.77 0.20 -0.84 117.00 121.76 1j5i n LEU 77 Ca -0.17 -0.19 0.02 0.00 -0.03 0.00 0.00 56.01 55.63 1j5i n LEU 77 Cb 0.52 -0.74 0.02 0.00 -2.33 0.00 0.00 43.42 40.88 1j5i n LEU 77 CO 0.25 -2.92 0.44 2.19 -1.33 0.00 0.00 177.39 176.02 1j5i h PHE 78 N -2.08 0.00 0.16 -1.77 -0.00 -1.51 -3.34 116.94 108.41 1j5i h PHE 78 Ca -0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.62 1j5i h PHE 78 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.97 1j5i h PHE 78 CO -1.37 0.52 -0.08 0.38 -0.00 0.00 0.00 178.31 177.77 1j5i h ASP 79 N 0.00 -0.18 0.00 -0.68 2.03 -1.89 -3.48 116.42 112.21 1j5i h ASP 79 Ca -0.01 -0.30 0.00 0.00 -0.73 0.00 0.00 57.03 55.99 1j5i h ASP 79 Cb 1.40 0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.95 1j5i h ASP 79 CO 0.07 0.38 0.00 0.61 -1.03 0.00 0.00 179.24 179.27 1j5i n GLY 80 N 0.85 0.32 3.74 7.15 0.00 -1.25 -5.13 105.19 110.86 1j5i n GLY 80 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 2.82 0.24 2.61 2.01 -1.26 -4.63 115.64 117.42 1j5i s THR 81 Ca 0.00 0.65 -0.30 0.00 0.31 0.00 0.00 61.69 62.35 1j5i s THR 81 Cb 0.00 -3.42 -0.09 0.00 0.01 0.00 0.00 72.50 69.00 1j5i s THR 81 CO 0.00 0.09 1.34 0.00 -0.69 0.00 0.00 174.62 175.36 1j5i s ARG 82 N 0.10 4.35 0.00 4.92 3.03 -1.26 0.61 118.95 130.70 1j5i s ARG 82 Ca 0.61 2.15 0.00 0.00 2.03 0.00 0.00 55.73 60.52 1j5i s ARG 82 Cb -0.41 -3.15 0.00 0.00 -1.03 0.00 0.00 34.95 30.36 1j5i s ARG 82 CO 0.39 -0.28 0.00 1.87 -1.13 0.00 0.00 175.30 176.15 1j5i n TRP 83 N 2.22 0.00 0.00 5.89 -0.00 -0.30 -4.70 117.44 120.54 1j5i n TRP 83 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.55 1j5i n TRP 83 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.73 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 3.37 -0.14 5.00 5.87 0.00 -0.88 -4.85 105.19 113.55 1j5i n GLY 84 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.91 114.28 113.68 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 -3.24 12.58 0.31 0.21 -4.29 118.33 123.90 1j5i n VAL 86 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.89 1j5i n VAL 86 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 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 -4.00 6.19 -0.32 4.52 -1.08 -1.26 -1.71 116.67 119.01 1j5i s ASP 87 Ca 0.00 -1.10 -0.01 0.00 -0.52 0.00 0.00 52.55 50.92 1j5i s ASP 87 Cb 0.00 -2.25 0.22 0.00 -1.46 0.00 0.00 42.92 39.43 1j5i s ASP 87 CO 0.00 -0.81 2.00 0.00 0.52 0.00 0.00 175.17 176.87 1j5i h THR 89 N 0.98 0.14 0.03 0.00 1.03 -1.91 -3.38 112.91 109.81 1j5i h THR 89 Ca 0.30 -1.26 -0.23 0.00 -0.01 0.00 0.00 66.41 65.20 1j5i h THR 89 Cb 0.94 1.69 -0.02 0.00 -1.07 0.00 0.00 68.15 69.69 1j5i h THR 89 CO 0.77 0.08 -1.25 0.74 -0.01 0.00 0.00 175.52 175.85 1j5i h THR 90 N 0.00 0.98 -3.31 0.00 2.02 -1.99 -3.44 112.91 107.16 1j5i h THR 90 Ca -0.04 -2.24 -0.64 0.00 0.77 0.00 0.00 66.41 64.26 1j5i h THR 90 Cb 1.14 2.43 -0.15 0.00 -1.74 0.00 0.00 68.15 69.84 1j5i h THR 90 CO 0.01 0.46 0.31 0.00 0.37 0.00 0.00 175.52 176.67 1j5i s ALA 91 N -2.39 3.28 -0.29 6.16 0.00 -1.26 -4.98 121.76 122.28 1j5i s ALA 91 Ca -0.26 -1.39 -0.38 0.00 0.00 0.00 0.00 51.96 49.93 1j5i s ALA 91 Cb 0.05 -3.52 -0.14 0.00 0.00 0.00 0.00 23.12 19.51 1j5i s ALA 91 CO 0.65 -2.13 1.90 0.00 0.00 0.00 0.00 175.76 176.18 1j5i n ALA 92 N 6.78 0.30 -2.69 0.00 0.00 -1.26 -4.84 120.51 118.79 1j5i n ALA 92 Ca -0.02 0.25 -0.41 0.00 0.00 0.00 0.00 53.44 53.26 1j5i n ALA 92 Cb 0.47 -2.34 -0.04 0.00 0.00 0.00 0.00 19.45 17.54 1j5i n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j5i s GLN 94 N 1.56 3.06 -0.35 0.00 -0.21 -0.61 -1.88 119.66 121.22 1j5i s GLN 94 Ca 0.40 -0.90 -0.23 0.00 0.02 0.00 0.00 55.36 54.65 1j5i s GLN 94 Cb -0.18 -3.96 0.01 0.00 1.00 0.00 0.00 33.01 29.88 1j5i s GLN 94 CO 0.16 -0.75 0.78 0.08 -2.12 0.00 0.00 175.29 173.44 1j5i s VAL 95 N 1.82 4.75 0.18 1.09 1.01 0.51 -0.38 120.40 129.38 1j5i s VAL 95 Ca 0.07 0.92 -0.23 0.00 0.00 0.00 0.00 61.98 62.74 1j5i s VAL 95 Cb -0.18 -4.19 0.07 0.00 0.00 0.00 0.00 36.38 32.07 1j5i s VAL 95 CO 0.11 -0.40 1.00 -0.83 0.00 0.00 0.00 175.10 174.98 1j5i s GLY 96 N 1.80 -0.05 -0.31 4.51 0.00 -0.79 -0.51 107.32 111.96 1j5i s GLY 96 Ca 0.31 -0.11 -0.07 0.00 0.00 0.00 0.00 44.72 44.85 1j5i s GLY 96 CO 0.16 1.03 0.09 0.48 0.00 0.00 0.00 173.10 174.87 1j5i s LEU 97 N -3.15 4.04 0.47 0.66 -0.00 -1.26 -0.86 118.68 118.59 1j5i s LEU 97 Ca 0.17 -0.86 -0.12 0.00 -0.00 0.00 0.00 54.13 53.32 1j5i s LEU 97 Cb -0.02 -1.88 -0.06 0.00 -0.00 0.00 0.00 46.19 44.22 1j5i s LEU 97 CO 0.04 -0.24 0.87 -0.94 -0.00 0.00 0.00 176.35 176.08 1j5i s SER 98 N 1.47 6.49 1.00 1.48 1.04 0.15 -4.72 113.70 120.61 1j5i s SER 98 Ca 0.01 1.29 -0.19 0.00 0.48 0.00 0.00 55.95 57.54 1j5i s SER 98 Cb -0.18 -2.39 -0.11 0.00 0.10 0.00 0.00 66.02 63.43 1j5i s SER 98 CO 0.03 -0.54 -0.76 0.47 0.98 0.00 0.00 173.24 173.42 1j5i n ASP 99 N -1.66 -4.40 0.31 7.02 8.00 0.04 -0.45 116.55 125.40 1j5i n ASP 99 Ca 0.04 0.13 0.19 0.00 0.71 0.00 0.00 54.79 55.87 1j5i n ASP 99 Cb 0.54 -0.78 1.03 0.00 -0.02 0.00 0.00 41.12 41.89 1j5i n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j5i h ALA 100 N -1.17 1.12 0.00 2.24 0.00 -1.85 0.24 119.26 119.84 1j5i h ALA 100 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1j5i h ALA 100 Cb 1.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1j5i h ALA 100 CO 0.25 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1j5i n ALA 101 N -2.15 1.73 -1.85 0.00 0.00 -1.26 -4.83 120.51 112.15 1j5i n ALA 101 Ca -0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 53.44 53.36 1j5i n ALA 101 Cb 0.13 -1.24 -0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 0.02 0.37 3.18 0.00 0.00 0.84 -5.05 105.19 104.55 1j5i n GLY 102 Ca 0.05 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.99 0.08 0.00 1.61 2.20 -1.23 -4.92 114.94 109.68 1j5i s ASN 103 Ca 0.00 -0.46 0.00 0.00 -0.94 0.00 0.00 52.86 51.46 1j5i s ASN 103 Cb 0.00 0.29 0.00 0.00 -2.00 0.00 0.00 41.25 39.54 1j5i s ASN 103 CO 0.00 -0.59 0.00 0.61 -2.94 0.00 0.00 177.10 174.18 1j5i n GLY 104 N 0.52 4.48 0.06 0.45 0.00 -1.26 -0.78 105.19 108.66 1j5i n GLY 104 Ca -0.18 -1.02 0.12 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.76 0.13 -1.37 1.61 -0.04 -1.26 -4.81 135.00 127.50 1j5i n PRO 105 Ca 0.00 0.23 -0.54 0.00 -0.04 0.00 0.00 63.50 63.15 1j5i n PRO 105 Cb 0.00 -1.69 -0.09 0.00 -0.04 0.00 0.00 33.50 31.68 1j5i n PRO 105 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1j5i n GLU 106 N -1.92 0.64 -3.65 0.54 4.71 -1.26 -4.84 120.64 114.87 1j5i n GLU 106 Ca 0.05 0.17 -0.02 0.00 -0.01 0.00 0.00 57.16 57.35 1j5i n GLU 106 Cb 0.30 -2.08 -0.07 0.00 -1.01 0.00 0.00 31.44 28.58 1j5i n GLU 106 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1j5i s GLY 107 N 6.86 0.38 -0.20 0.62 0.00 -1.26 -4.10 107.32 109.61 1j5i s GLY 107 Ca 1.14 3.54 -0.08 0.00 0.00 0.00 0.00 44.72 49.32 1j5i s GLY 107 CO 0.55 2.16 0.07 0.54 0.00 0.00 0.00 173.10 176.42 1j5i s VAL 108 N 0.33 4.73 -0.75 1.40 0.11 0.33 -4.75 120.40 121.80 1j5i s VAL 108 Ca 0.03 -0.05 -0.26 0.00 -2.93 0.00 0.00 61.98 58.77 1j5i s VAL 108 Cb -0.04 -3.15 -0.08 0.00 -1.53 0.00 0.00 36.38 31.58 1j5i s VAL 108 CO -0.14 0.42 2.17 0.00 -3.33 0.00 0.00 175.10 174.22 1j5i s ALA 109 N 0.72 1.40 0.03 1.54 0.00 -1.26 -0.36 121.76 123.83 1j5i s ALA 109 Ca 0.04 -0.87 -0.30 0.00 0.00 0.00 0.00 51.96 50.82 1j5i s ALA 109 Cb -0.13 -4.49 -0.06 0.00 0.00 0.00 0.00 23.12 18.44 1j5i s ALA 109 CO 0.02 -4.99 1.41 0.42 0.00 0.00 0.00 175.76 172.62 1j5i s ILE 110 N 11.90 3.60 -0.51 0.00 1.09 -0.79 -4.85 121.20 131.65 1j5i s ILE 110 Ca 0.82 1.03 -0.09 0.00 -1.10 0.00 0.00 60.65 61.31 1j5i s ILE 110 Cb -0.11 -3.66 -0.08 0.00 -1.06 0.00 0.00 42.46 37.54 1j5i s ILE 110 CO 0.10 0.02 1.67 -1.20 -0.10 0.00 0.00 174.94 175.43 1j5i n SER 111 N 5.08 2.58 -3.55 3.58 7.64 -0.52 -4.55 113.62 123.89 1j5i n SER 111 Ca 0.13 -2.29 -0.32 0.00 1.01 0.00 0.00 58.87 57.40 1j5i n SER 111 Cb 0.43 -0.85 0.03 0.00 -1.01 0.00 0.00 64.21 62.82 1j5i n SER 111 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1j5i n PHE 112 N 5.44 -4.33 0.31 1.43 1.16 -1.26 -1.49 117.46 118.72 1j5i n PHE 112 Ca 0.31 0.03 0.02 0.00 -1.87 0.00 0.00 57.45 55.94 1j5i n PHE 112 Cb 0.16 -1.29 0.14 0.00 -1.61 0.00 0.00 39.48 36.88 1j5i n PHE 112 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16