#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oi9 s SER 2 N 0.00 -0.46 0.02 1.69 1.04 -1.19 -5.05 113.70 109.75 2oi9 s SER 2 Ca 0.00 0.60 0.06 0.00 0.48 0.00 0.00 55.95 57.09 2oi9 s SER 2 Cb 0.00 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.73 2oi9 s SER 2 CO 0.00 -0.42 -0.17 0.68 0.98 0.00 0.00 173.24 174.30 2oi9 s VAL 3 N -0.79 1.39 -0.11 5.02 -7.23 -1.26 -1.29 120.40 116.14 2oi9 s VAL 3 Ca -0.09 -0.98 0.02 0.00 -1.81 0.00 0.00 61.98 59.12 2oi9 s VAL 3 Cb -0.03 -1.21 0.01 0.00 0.56 0.00 0.00 36.38 35.72 2oi9 s VAL 3 CO 0.05 0.21 -0.16 -0.89 -0.31 0.00 0.00 175.10 174.00 2oi9 s THR 4 N -0.67 1.54 -0.47 5.32 2.01 0.34 -4.55 115.64 119.15 2oi9 s THR 4 Ca 0.05 -0.67 -0.09 0.00 0.31 0.00 0.00 61.69 61.29 2oi9 s THR 4 Cb -0.08 -1.40 0.12 0.00 0.01 0.00 0.00 72.50 71.15 2oi9 s THR 4 CO 0.01 0.45 0.35 -1.10 -0.69 0.00 0.00 174.62 173.63 2oi9 s GLN 5 N 0.95 2.47 0.33 4.92 -0.21 -1.26 -0.46 119.66 126.41 2oi9 s GLN 5 Ca -0.07 -1.77 0.04 0.00 0.02 0.00 0.00 55.36 53.59 2oi9 s GLN 5 Cb -0.15 -3.93 0.60 0.00 1.00 0.00 0.00 33.01 30.53 2oi9 s GLN 5 CO -0.01 -1.20 1.87 -1.00 -2.12 0.00 0.00 175.29 172.83 2oi9 h PRO 6 N 8.45 0.51 -5.03 2.91 0.13 -1.96 -3.40 132.00 133.62 2oi9 h PRO 6 Ca -0.21 -0.11 -0.66 0.00 -0.87 0.00 0.00 66.00 64.15 2oi9 h PRO 6 Cb 1.07 -0.07 -0.16 0.00 0.13 0.00 0.00 31.00 31.97 2oi9 h PRO 6 CO 0.86 0.55 -0.24 -0.51 -0.23 0.00 0.00 178.00 178.44 2oi9 s ASP 7 N -6.75 6.21 0.26 1.44 1.01 -1.26 -4.95 116.67 112.64 2oi9 s ASP 7 Ca -0.07 -0.14 0.15 0.00 0.71 0.00 0.00 52.55 53.19 2oi9 s ASP 7 Cb 0.15 -2.21 0.05 0.00 1.01 0.00 0.00 42.92 41.92 2oi9 s ASP 7 CO 0.77 -0.35 1.40 0.00 0.21 0.00 0.00 175.17 177.19 2oi9 h ALA 8 N 8.44 0.67 -3.38 5.23 0.00 -1.81 -3.41 119.26 125.00 2oi9 h ALA 8 Ca -0.30 -0.48 -0.22 0.00 0.00 0.00 0.00 54.91 53.92 2oi9 h ALA 8 Cb 1.14 -0.05 -0.29 0.00 0.00 0.00 0.00 17.79 18.59 2oi9 h ALA 8 CO 0.70 0.64 -0.59 1.03 0.00 0.00 0.00 179.25 181.04 2oi9 s ARG 9 N -2.96 0.12 -0.02 0.00 0.52 -1.26 -1.33 118.95 114.02 2oi9 s ARG 9 Ca 0.03 0.24 0.02 0.00 -0.52 0.00 0.00 55.73 55.50 2oi9 s ARG 9 Cb 0.08 -0.03 0.01 0.00 0.52 0.00 0.00 34.95 35.53 2oi9 s ARG 9 CO 0.75 -0.07 -0.07 0.08 0.02 0.00 0.00 175.30 176.01 2oi9 s VAL 10 N 0.47 0.66 -0.09 3.52 1.01 0.25 -4.94 120.40 121.27 2oi9 s VAL 10 Ca -0.03 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.70 2oi9 s VAL 10 Cb -0.05 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.74 2oi9 s VAL 10 CO -0.02 0.21 -0.22 -0.89 0.00 0.00 0.00 175.10 174.18 2oi9 s THR 11 N 0.26 1.90 0.05 3.92 2.01 -1.26 -0.87 115.64 121.66 2oi9 s THR 11 Ca -0.04 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.04 2oi9 s THR 11 Cb -0.08 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 2oi9 s THR 11 CO 0.00 0.52 -0.04 0.68 -0.69 0.00 0.00 174.62 175.09 2oi9 s VAL 12 N 0.38 0.33 0.37 3.82 -7.23 -0.29 -4.98 120.40 112.81 2oi9 s VAL 12 Ca -0.18 -1.62 -0.24 0.00 -1.81 0.00 0.00 61.98 58.14 2oi9 s VAL 12 Cb -0.18 -1.26 -0.10 0.00 0.56 0.00 0.00 36.38 35.41 2oi9 s VAL 12 CO 0.08 -0.83 0.96 -0.44 -0.31 0.00 0.00 175.10 174.56 2oi9 s SER 13 N -2.58 7.10 0.12 4.85 0.01 -1.26 -1.20 113.70 120.74 2oi9 s SER 13 Ca 0.03 1.81 -0.35 0.00 1.31 0.00 0.00 55.95 58.74 2oi9 s SER 13 Cb 0.03 -2.57 -0.15 0.00 0.21 0.00 0.00 66.02 63.54 2oi9 s SER 13 CO -0.06 -0.24 1.48 1.21 0.41 0.00 0.00 173.24 176.04 2oi9 n GLU 14 N 0.01 1.70 -0.32 12.44 2.13 -0.65 -1.59 120.64 134.35 2oi9 n GLU 14 Ca 0.04 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.48 2oi9 n GLU 14 Cb 0.51 -2.33 0.00 0.00 0.27 0.00 0.00 31.44 29.90 2oi9 n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2oi9 n GLY 15 N 3.05 0.98 3.92 8.31 0.00 0.23 -4.96 105.19 116.71 2oi9 n GLY 15 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 2oi9 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi9 s ALA 16 N -2.80 3.32 0.46 4.61 0.00 -0.62 -4.53 121.76 122.19 2oi9 s ALA 16 Ca 0.00 -0.71 -0.09 0.00 0.00 0.00 0.00 51.96 51.16 2oi9 s ALA 16 Cb 0.00 -2.59 -0.05 0.00 0.00 0.00 0.00 23.12 20.48 2oi9 s ALA 16 CO 0.00 -0.79 0.81 -1.54 0.00 0.00 0.00 175.76 174.24 2oi9 s SER 17 N -4.30 6.42 -0.00 0.00 1.04 -1.13 -1.13 113.70 114.59 2oi9 s SER 17 Ca 0.54 1.12 0.07 0.00 0.48 0.00 0.00 55.95 58.16 2oi9 s SER 17 Cb -0.11 -2.33 -0.02 0.00 0.10 0.00 0.00 66.02 63.67 2oi9 s SER 17 CO 0.45 -0.51 -0.21 -0.22 0.98 0.00 0.00 173.24 173.73 2oi9 s LEU 18 N -4.26 2.07 -0.16 2.42 2.96 0.17 -4.93 118.68 116.95 2oi9 s LEU 18 Ca 0.51 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.97 2oi9 s LEU 18 Cb -0.10 -1.05 0.06 0.00 0.50 0.00 0.00 46.19 45.59 2oi9 s LEU 18 CO 0.38 0.24 0.08 -1.58 -1.32 0.00 0.00 176.35 174.14 2oi9 s GLN 19 N -0.64 0.11 -0.12 1.98 -0.44 -1.26 -2.06 119.66 117.23 2oi9 s GLN 19 Ca 0.08 -0.05 -0.02 0.00 -2.50 0.00 0.00 55.36 52.86 2oi9 s GLN 19 Cb -0.08 -1.69 -0.03 0.00 -1.64 0.00 0.00 33.01 29.57 2oi9 s GLN 19 CO -0.00 -0.62 -0.05 -0.51 0.50 0.00 0.00 175.29 174.61 2oi9 s LEU 20 N 2.11 3.23 0.03 3.68 1.43 0.23 -4.95 118.68 124.44 2oi9 s LEU 20 Ca 0.02 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 2oi9 s LEU 20 Cb -0.16 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 2oi9 s LEU 20 CO -0.08 0.24 0.37 -0.13 0.23 0.00 0.00 176.35 176.98 2oi9 s ARG 21 N -0.07 3.76 -0.12 1.70 0.52 -1.26 -0.43 118.95 123.04 2oi9 s ARG 21 Ca 0.01 0.19 -0.09 0.00 -0.52 0.00 0.00 55.73 55.32 2oi9 s ARG 21 Cb -0.13 -3.08 0.04 0.00 0.52 0.00 0.00 34.95 32.29 2oi9 s ARG 21 CO 0.03 0.62 0.31 0.00 0.02 0.00 0.00 175.30 176.28 2oi9 s LYS 23 N 0.57 0.95 0.19 0.00 1.02 0.39 -1.81 119.74 121.05 2oi9 s LYS 23 Ca -0.03 -0.42 0.11 0.00 0.02 0.00 0.00 55.97 55.65 2oi9 s LYS 23 Cb -0.05 -0.92 -0.04 0.00 -0.52 0.00 0.00 37.83 36.30 2oi9 s LYS 23 CO -0.03 0.25 -0.22 1.52 -0.92 0.00 0.00 175.35 175.95 2oi9 s TYR 24 N -0.27 2.35 -0.29 3.18 1.13 -0.23 0.13 117.35 123.35 2oi9 s TYR 24 Ca 0.04 -0.34 -0.01 0.00 -1.41 0.00 0.00 57.07 55.35 2oi9 s TYR 24 Cb -0.05 -1.17 0.09 0.00 -1.10 0.00 0.00 41.96 39.74 2oi9 s TYR 24 CO -0.00 0.49 0.09 -1.54 -2.51 0.00 0.00 175.55 172.07 2oi9 s SER 25 N -2.64 3.81 -0.23 -0.18 1.04 -0.41 -4.85 113.70 110.25 2oi9 s SER 25 Ca 0.21 -1.46 -0.03 0.00 0.48 0.00 0.00 55.95 55.14 2oi9 s SER 25 Cb -0.08 -0.78 0.12 0.00 0.10 0.00 0.00 66.02 65.37 2oi9 s SER 25 CO 0.10 -0.40 0.31 -0.47 0.98 0.00 0.00 173.24 173.77 2oi9 s TYR 26 N 1.69 -0.60 0.23 5.02 5.04 -1.26 -3.17 117.35 124.30 2oi9 s TYR 26 Ca 0.08 0.56 -0.06 0.00 -2.44 0.00 0.00 57.07 55.21 2oi9 s TYR 26 Cb -0.17 -0.14 0.37 0.00 0.35 0.00 0.00 41.96 42.37 2oi9 s TYR 26 CO -0.23 -0.68 1.77 0.77 -1.34 0.00 0.00 175.55 175.84 2oi9 h SER 27 N 8.24 0.43 -1.75 4.32 0.02 -2.00 -3.43 113.55 119.38 2oi9 h SER 27 Ca -0.18 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 2oi9 h SER 27 Cb 1.15 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.71 2oi9 h SER 27 CO 0.28 0.23 0.01 0.00 -1.14 0.00 0.00 176.83 176.21 2oi9 n ALA 28 N -2.43 -0.23 -2.40 3.77 0.00 -1.26 -4.97 120.51 112.99 2oi9 n ALA 28 Ca 0.12 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 2oi9 n ALA 28 Cb 0.31 -0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 2oi9 n ALA 28 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2oi9 s THR 29 N -1.17 4.14 -0.45 0.00 -1.32 -1.26 -4.99 115.64 110.59 2oi9 s THR 29 Ca 0.05 1.46 -0.29 0.00 -1.21 0.00 0.00 61.69 61.71 2oi9 s THR 29 Cb -0.00 -3.94 0.03 0.00 -1.51 0.00 0.00 72.50 67.07 2oi9 s THR 29 CO 0.04 -0.02 1.11 -2.16 -2.21 0.00 0.00 174.62 171.38 2oi9 s PRO 30 N 2.47 3.76 -0.41 7.08 0.04 -1.26 -4.97 135.00 141.71 2oi9 s PRO 30 Ca 0.58 0.60 -0.13 0.00 0.04 0.00 0.00 61.00 62.09 2oi9 s PRO 30 Cb -0.26 -3.88 0.04 0.00 0.04 0.00 0.00 34.50 30.44 2oi9 s PRO 30 CO 0.22 -1.30 0.28 0.71 0.04 0.00 0.00 177.00 176.95 2oi9 s TYR 31 N 4.28 3.26 -0.01 0.56 1.51 -1.26 -4.76 117.35 120.92 2oi9 s TYR 31 Ca 0.47 -0.96 0.01 0.00 -1.01 0.00 0.00 57.07 55.57 2oi9 s TYR 31 Cb -0.08 -2.71 -0.04 0.00 -0.11 0.00 0.00 41.96 39.02 2oi9 s TYR 31 CO 0.29 -0.70 0.00 -0.51 -1.11 0.00 0.00 175.55 173.52 2oi9 s LEU 32 N 1.58 3.51 0.02 -1.29 1.43 -0.93 -0.30 118.68 122.70 2oi9 s LEU 32 Ca 0.03 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 2oi9 s LEU 32 Cb -0.21 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 2oi9 s LEU 32 CO 0.07 0.29 -0.03 -0.36 0.23 0.00 0.00 176.35 176.55 2oi9 s PHE 33 N -1.06 0.30 -0.12 0.29 0.40 0.37 -0.51 117.98 117.66 2oi9 s PHE 33 Ca 0.19 -0.48 0.03 0.00 -0.60 0.00 0.00 56.93 56.06 2oi9 s PHE 33 Cb -0.11 -0.20 -0.00 0.00 0.51 0.00 0.00 43.02 43.21 2oi9 s PHE 33 CO 0.09 -0.16 -0.20 -1.58 0.70 0.00 0.00 175.22 174.07 2oi9 s TRP 34 N -1.31 2.65 0.17 0.36 0.52 -0.86 -0.49 118.94 119.99 2oi9 s TRP 34 Ca -0.14 -0.99 0.11 0.00 0.02 0.00 0.00 56.10 55.11 2oi9 s TRP 34 Cb -0.09 -1.77 -0.04 0.00 -1.15 0.00 0.00 33.47 30.42 2oi9 s TRP 34 CO -0.01 -0.40 -0.24 0.71 0.02 0.00 0.00 176.95 177.03 2oi9 s TYR 35 N 0.44 2.32 0.05 -1.98 1.51 0.71 -0.50 117.35 119.91 2oi9 s TYR 35 Ca -0.14 -0.36 0.08 0.00 -1.01 0.00 0.00 57.07 55.64 2oi9 s TYR 35 Cb -0.17 -1.18 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 2oi9 s TYR 35 CO 0.06 0.46 -0.22 0.54 -1.11 0.00 0.00 175.55 175.28 2oi9 s VAL 36 N -1.50 2.53 -0.10 0.71 0.11 0.16 -0.74 120.40 121.56 2oi9 s VAL 36 Ca 0.19 -1.29 -0.01 0.00 -2.93 0.00 0.00 61.98 57.93 2oi9 s VAL 36 Cb -0.09 -2.04 0.03 0.00 -1.53 0.00 0.00 36.38 32.76 2oi9 s VAL 36 CO 0.09 0.33 -0.01 -1.58 -3.33 0.00 0.00 175.10 170.60 2oi9 s GLN 37 N -1.41 0.82 0.39 1.54 0.74 0.10 0.17 119.66 122.02 2oi9 s GLN 37 Ca 0.14 -0.07 0.01 0.00 0.05 0.00 0.00 55.36 55.48 2oi9 s GLN 37 Cb -0.10 -1.32 -0.02 0.00 1.10 0.00 0.00 33.01 32.67 2oi9 s GLN 37 CO 0.04 -0.36 0.60 0.71 -0.55 0.00 0.00 175.29 175.73 2oi9 s TYR 38 N 1.89 3.36 0.30 1.67 2.02 -1.26 -1.85 117.35 123.49 2oi9 s TYR 38 Ca 0.04 0.27 -0.29 0.00 -0.37 0.00 0.00 57.07 56.72 2oi9 s TYR 38 Cb -0.13 -2.08 -0.13 0.00 -0.40 0.00 0.00 41.96 39.22 2oi9 s TYR 38 CO -0.06 -0.09 1.24 -2.30 -1.57 0.00 0.00 175.55 172.77 2oi9 n PRO 39 N -1.91 1.89 -2.00 -1.71 -0.02 -1.26 -2.37 135.00 127.62 2oi9 n PRO 39 Ca -0.02 0.67 -0.20 0.00 -2.02 0.00 0.00 63.50 61.92 2oi9 n PRO 39 Cb 0.57 -2.21 -0.05 0.00 -0.02 0.00 0.00 33.50 31.79 2oi9 n PRO 39 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2oi9 n ARG 40 N 0.93 -1.53 -4.29 -0.52 3.00 -1.26 -4.97 116.66 108.01 2oi9 n ARG 40 Ca 0.08 1.10 -0.16 0.00 -0.01 0.00 0.00 57.85 58.86 2oi9 n ARG 40 Cb 0.34 -5.61 -0.10 0.00 0.00 0.00 0.00 32.46 27.09 2oi9 n ARG 40 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2oi9 s GLN 41 N -4.39 1.38 0.52 5.56 -0.21 -1.00 -5.17 119.66 116.35 2oi9 s GLN 41 Ca 0.00 -1.75 0.00 0.00 0.02 0.00 0.00 55.36 53.64 2oi9 s GLN 41 Cb 0.00 -0.14 0.02 0.00 1.00 0.00 0.00 33.01 33.89 2oi9 s GLN 41 CO 0.00 -0.33 0.75 0.20 -2.12 0.00 0.00 175.29 173.79 2oi9 s GLY 42 N -3.29 1.72 0.31 3.09 0.00 -1.26 -4.68 107.32 103.21 2oi9 s GLY 42 Ca 0.38 -1.20 -0.29 0.00 0.00 0.00 0.00 44.72 43.61 2oi9 s GLY 42 CO 0.14 -0.95 1.48 -4.14 0.00 0.00 0.00 173.10 169.62 2oi9 s PRO 43 N -4.71 4.19 -0.06 2.90 0.02 -1.26 -4.54 135.00 131.55 2oi9 s PRO 43 Ca 0.54 2.45 0.05 0.00 0.02 0.00 0.00 61.00 64.06 2oi9 s PRO 43 Cb -0.10 -3.04 -0.01 0.00 0.02 0.00 0.00 34.50 31.36 2oi9 s PRO 43 CO 0.39 -0.48 -0.22 -0.65 -0.33 0.00 0.00 177.00 175.70 2oi9 s GLN 44 N -1.11 2.56 0.26 5.54 -0.21 0.13 -4.92 119.66 121.92 2oi9 s GLN 44 Ca 0.57 -0.86 -0.30 0.00 0.02 0.00 0.00 55.36 54.79 2oi9 s GLN 44 Cb -0.45 -2.22 -0.10 0.00 1.00 0.00 0.00 33.01 31.24 2oi9 s GLN 44 CO 0.52 0.42 1.48 -1.17 -2.12 0.00 0.00 175.29 174.42 2oi9 s LEU 45 N -0.26 4.37 -0.26 2.90 2.96 -1.26 -0.67 118.68 126.47 2oi9 s LEU 45 Ca -0.00 2.75 -0.09 0.00 -0.22 0.00 0.00 54.13 56.56 2oi9 s LEU 45 Cb -0.13 -3.63 -0.13 0.00 0.50 0.00 0.00 46.19 42.81 2oi9 s LEU 45 CO 0.03 -0.76 -0.31 0.18 -1.32 0.00 0.00 176.35 174.17 2oi9 n LEU 46 N 2.22 2.16 -3.72 -0.68 4.32 0.35 -4.83 117.00 116.82 2oi9 n LEU 46 Ca 0.07 0.20 0.01 0.00 -0.02 0.00 0.00 56.01 56.27 2oi9 n LEU 46 Cb 0.39 -0.80 -0.00 0.00 -1.62 0.00 0.00 43.42 41.39 2oi9 n LEU 46 CO 0.61 0.65 1.00 -1.48 -1.22 0.00 0.00 177.39 176.95 2oi9 s LEU 47 N -7.17 -0.06 0.15 2.23 0.05 -1.18 -1.01 118.68 111.69 2oi9 s LEU 47 Ca -0.36 -0.23 -0.10 0.00 0.05 0.00 0.00 54.13 53.48 2oi9 s LEU 47 Cb 0.13 1.54 0.00 0.00 -2.05 0.00 0.00 46.19 45.81 2oi9 s LEU 47 CO 0.49 -0.44 0.30 -1.59 -0.55 0.00 0.00 176.35 174.56 2oi9 s LYS 48 N -2.46 1.12 -0.06 1.48 -2.85 -1.26 -2.02 119.74 113.68 2oi9 s LYS 48 Ca 0.17 -1.06 0.00 0.00 -1.00 0.00 0.00 55.97 54.08 2oi9 s LYS 48 Cb 0.02 0.39 0.02 0.00 -2.06 0.00 0.00 37.83 36.21 2oi9 s LYS 48 CO -0.02 -0.41 -0.03 -0.47 0.10 0.00 0.00 175.35 174.52 2oi9 s TYR 49 N -3.92 0.78 -0.08 1.78 5.04 0.33 -4.91 117.35 116.37 2oi9 s TYR 49 Ca 0.13 -0.23 -0.05 0.00 -2.44 0.00 0.00 57.07 54.48 2oi9 s TYR 49 Cb 0.03 -0.75 -0.04 0.00 0.35 0.00 0.00 41.96 41.55 2oi9 s TYR 49 CO -0.03 -0.26 -0.12 0.66 -1.34 0.00 0.00 175.55 174.46 2oi9 n TYR 50 N 4.45 0.00 -3.67 4.97 4.01 -1.26 -2.20 117.16 123.46 2oi9 n TYR 50 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 2oi9 n TYR 50 Cb 0.51 -0.31 -0.01 0.00 -0.31 0.00 0.00 39.34 39.22 2oi9 n TYR 50 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2oi9 s SER 51 N -5.83 -0.08 0.08 7.72 1.04 -1.26 -4.89 113.70 110.49 2oi9 s SER 51 Ca -0.12 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.10 2oi9 s SER 51 Cb 0.04 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2oi9 s SER 51 CO 0.16 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2oi9 n GLY 52 N -0.51 0.83 3.67 7.32 0.00 -1.26 -4.90 105.19 110.34 2oi9 n GLY 52 Ca -0.07 -1.34 -0.49 0.00 0.00 0.00 0.00 46.02 44.11 2oi9 n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2oi9 n ASP 53 N 1.60 3.03 0.16 1.61 -0.08 -1.26 -4.86 116.55 116.74 2oi9 n ASP 53 Ca 0.00 1.03 0.13 0.00 -1.51 0.00 0.00 54.79 54.44 2oi9 n ASP 53 Cb 0.00 -1.34 0.47 0.00 2.34 0.00 0.00 41.12 42.59 2oi9 n ASP 53 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2oi9 h PRO 54 N 7.56 0.00 -4.90 -0.67 0.13 -1.90 -3.41 132.00 128.81 2oi9 h PRO 54 Ca -0.47 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.00 2oi9 h PRO 54 Cb 1.28 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.24 2oi9 h PRO 54 CO 0.92 0.00 -0.38 0.08 -0.23 0.00 0.00 178.00 178.39 2oi9 s VAL 55 N -3.30 5.23 -0.06 1.56 1.01 -1.26 -0.02 120.40 123.56 2oi9 s VAL 55 Ca 0.06 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.15 2oi9 s VAL 55 Cb 0.10 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 2oi9 s VAL 55 CO 0.50 0.02 -0.22 0.68 0.00 0.00 0.00 175.10 176.09 2oi9 s VAL 56 N 1.89 2.36 0.23 2.92 -7.23 -0.62 -4.98 120.40 114.97 2oi9 s VAL 56 Ca 0.10 -0.96 -0.16 0.00 -1.81 0.00 0.00 61.98 59.14 2oi9 s VAL 56 Cb -0.17 -1.88 -0.08 0.00 0.56 0.00 0.00 36.38 34.81 2oi9 s VAL 56 CO 0.11 0.57 0.67 -1.10 -0.31 0.00 0.00 175.10 175.04 2oi9 s GLN 57 N -0.32 4.07 0.00 4.82 -1.52 -1.26 -1.36 119.66 124.09 2oi9 s GLN 57 Ca 0.01 0.66 0.00 0.00 -1.95 0.00 0.00 55.36 54.09 2oi9 s GLN 57 Cb -0.13 -2.75 0.00 0.00 -0.22 0.00 0.00 33.01 29.91 2oi9 s GLN 57 CO 0.02 0.35 0.00 0.41 -0.25 0.00 0.00 175.29 175.82 2oi9 n GLY 58 N 0.37 4.38 3.77 3.09 0.00 0.11 -4.83 105.19 112.08 2oi9 n GLY 58 Ca -0.01 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 43.85 2oi9 n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oi9 s VAL 59 N -1.46 3.06 -1.54 1.61 1.01 -0.18 -4.24 120.40 118.66 2oi9 s VAL 59 Ca 0.00 0.58 -0.06 0.00 0.00 0.00 0.00 61.98 62.50 2oi9 s VAL 59 Cb 0.00 -3.15 0.05 0.00 0.00 0.00 0.00 36.38 33.28 2oi9 s VAL 59 CO 0.00 -0.22 0.45 -3.20 0.00 0.00 0.00 175.10 172.13 2oi9 n ASN 60 N -1.89 -0.98 0.00 3.32 5.15 -1.26 -2.03 115.26 117.57 2oi9 n ASN 60 Ca 0.11 -1.07 0.00 0.00 -0.60 0.00 0.00 54.58 53.03 2oi9 n ASN 60 Cb 0.51 -2.65 0.00 0.00 -0.53 0.00 0.00 39.78 37.11 2oi9 n ASN 60 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2oi9 n GLY 61 N -1.90 0.76 3.85 8.20 0.00 -1.26 -5.03 105.19 109.82 2oi9 n GLY 61 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 2oi9 n GLY 61 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2oi9 s PHE 62 N -2.97 3.48 0.11 1.61 0.08 -0.86 -4.40 117.98 115.03 2oi9 s PHE 62 Ca 0.00 1.06 -0.07 0.00 0.12 0.00 0.00 56.93 58.04 2oi9 s PHE 62 Cb 0.00 -2.39 -0.01 0.00 -0.57 0.00 0.00 43.02 40.05 2oi9 s PHE 62 CO 0.00 0.27 0.17 -1.83 -0.10 0.00 0.00 175.22 173.73 2oi9 s GLU 63 N -2.57 0.93 0.05 0.44 -1.05 -0.32 0.07 118.70 116.25 2oi9 s GLU 63 Ca 0.46 -1.13 -0.03 0.00 -0.15 0.00 0.00 54.97 54.13 2oi9 s GLU 63 Cb -0.12 0.32 -0.03 0.00 -0.44 0.00 0.00 34.13 33.86 2oi9 s GLU 63 CO 0.20 -0.30 0.02 0.00 0.95 0.00 0.00 175.26 176.13 2oi9 s ALA 64 N -3.93 0.24 -0.13 -0.84 0.00 -0.46 -0.20 121.76 116.44 2oi9 s ALA 64 Ca 0.12 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2oi9 s ALA 64 Cb 0.05 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.47 2oi9 s ALA 64 CO -0.06 -0.35 -0.12 -2.00 0.00 0.00 0.00 175.76 173.24 2oi9 s GLU 65 N -3.28 1.97 0.12 0.00 2.12 -0.55 -1.59 118.70 117.49 2oi9 s GLU 65 Ca 0.01 -0.43 -0.25 0.00 0.36 0.00 0.00 54.97 54.66 2oi9 s GLU 65 Cb 0.03 -1.87 -0.07 0.00 0.26 0.00 0.00 34.13 32.48 2oi9 s GLU 65 CO -0.08 -0.24 0.77 0.12 -0.54 0.00 0.00 175.26 175.30 2oi9 s PHE 66 N 1.54 3.84 -0.24 5.30 5.36 0.98 -2.83 117.98 131.94 2oi9 s PHE 66 Ca 0.04 1.57 -0.04 0.00 -0.96 0.00 0.00 56.93 57.55 2oi9 s PHE 66 Cb -0.13 -2.79 0.08 0.00 -0.34 0.00 0.00 43.02 39.85 2oi9 s PHE 66 CO -0.09 0.43 0.10 0.45 -1.46 0.00 0.00 175.22 174.65 2oi9 s SER 67 N -0.73 3.11 0.18 6.13 0.15 -0.51 -4.81 113.70 117.22 2oi9 s SER 67 Ca 0.37 -1.04 -0.13 0.00 0.70 0.00 0.00 55.95 55.85 2oi9 s SER 67 Cb -0.22 -0.39 0.09 0.00 -1.71 0.00 0.00 66.02 63.79 2oi9 s SER 67 CO 0.25 -0.39 1.83 0.50 1.20 0.00 0.00 173.24 176.63 2oi9 h LYS 68 N 8.36 0.81 -0.38 5.44 3.64 -1.96 -0.53 116.57 131.95 2oi9 h LYS 68 Ca -0.17 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.19 2oi9 h LYS 68 Cb 1.07 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.68 2oi9 h LYS 68 CO 0.38 0.56 0.14 0.66 -2.27 0.00 0.00 179.45 178.92 2oi9 h SER 69 N 0.81 0.17 -0.07 4.20 4.64 -1.96 -2.23 113.55 119.11 2oi9 h SER 69 Ca 0.22 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2oi9 h SER 69 Cb -0.05 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2oi9 h SER 69 CO -0.04 0.13 0.00 0.59 -0.87 0.00 0.00 176.83 176.64 2oi9 n ASN 70 N -5.00 1.53 -4.09 4.97 4.13 -1.18 -4.96 115.26 110.67 2oi9 n ASN 70 Ca 0.02 -1.56 -0.30 0.00 1.68 0.00 0.00 54.58 54.41 2oi9 n ASN 70 Cb 0.13 -0.04 -0.03 0.00 -1.54 0.00 0.00 39.78 38.30 2oi9 n ASN 70 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2oi9 n SER 71 N 0.21 -1.33 -4.40 6.41 7.64 -0.27 -4.88 113.62 117.00 2oi9 n SER 71 Ca 0.18 -1.03 -0.21 0.00 1.01 0.00 0.00 58.87 58.82 2oi9 n SER 71 Cb 0.34 -2.81 -0.10 0.00 -1.01 0.00 0.00 64.21 60.63 2oi9 n SER 71 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2oi9 s SER 72 N -3.97 3.00 -0.43 6.43 1.04 -0.82 -1.07 113.70 117.87 2oi9 s SER 72 Ca 0.28 -1.02 0.06 0.00 0.48 0.00 0.00 55.95 55.75 2oi9 s SER 72 Cb -0.15 -0.20 0.20 0.00 0.10 0.00 0.00 66.02 65.97 2oi9 s SER 72 CO 0.91 -0.08 0.52 0.33 0.98 0.00 0.00 173.24 175.91 2oi9 n PHE 73 N -0.45 -1.59 -2.69 5.02 7.35 -0.75 -1.42 117.46 122.93 2oi9 n PHE 73 Ca -0.07 -2.84 -0.41 0.00 -0.76 0.00 0.00 57.45 53.37 2oi9 n PHE 73 Cb 0.60 0.47 -0.05 0.00 0.35 0.00 0.00 39.48 40.85 2oi9 n PHE 73 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 2oi9 s HIS 74 N -0.05 3.84 0.06 -5.13 3.76 -1.13 -4.19 115.29 112.45 2oi9 s HIS 74 Ca 0.33 1.82 -0.04 0.00 -0.15 0.00 0.00 55.06 57.01 2oi9 s HIS 74 Cb 0.09 -3.07 -0.05 0.00 1.11 0.00 0.00 32.58 30.66 2oi9 s HIS 74 CO -0.15 0.14 0.28 -1.17 -0.85 0.00 0.00 174.74 172.99 2oi9 s LEU 75 N -0.71 4.34 -0.03 0.89 2.96 0.43 -1.48 118.68 125.08 2oi9 s LEU 75 Ca 0.44 0.49 -0.09 0.00 -0.22 0.00 0.00 54.13 54.75 2oi9 s LEU 75 Cb -0.26 -2.91 0.01 0.00 0.50 0.00 0.00 46.19 43.53 2oi9 s LEU 75 CO 0.32 0.18 0.21 -0.13 -1.32 0.00 0.00 176.35 175.62 2oi9 s ARG 76 N -2.18 0.47 -0.08 1.98 0.52 0.72 -0.60 118.95 119.77 2oi9 s ARG 76 Ca 0.33 -0.12 -0.06 0.00 -0.52 0.00 0.00 55.73 55.36 2oi9 s ARG 76 Cb -0.13 0.20 0.03 0.00 0.52 0.00 0.00 34.95 35.58 2oi9 s ARG 76 CO 0.21 -0.11 0.20 0.21 0.02 0.00 0.00 175.30 175.83 2oi9 s LYS 77 N -0.90 0.19 0.09 3.54 2.20 -0.88 -1.17 119.74 122.82 2oi9 s LYS 77 Ca -0.10 0.36 -0.11 0.00 -0.36 0.00 0.00 55.97 55.76 2oi9 s LYS 77 Cb -0.05 -0.01 -0.18 0.00 -1.51 0.00 0.00 37.83 36.07 2oi9 s LYS 77 CO 0.02 -0.09 1.24 0.00 -0.36 0.00 0.00 175.35 176.15 2oi9 h ALA 78 N 6.49 0.21 -2.65 3.13 0.00 -1.86 0.49 119.26 125.07 2oi9 h ALA 78 Ca -0.33 -0.69 -0.57 0.00 0.00 0.00 0.00 54.91 53.32 2oi9 h ALA 78 Cb 1.17 0.03 -0.39 0.00 0.00 0.00 0.00 17.79 18.60 2oi9 h ALA 78 CO 0.39 0.72 -0.83 0.45 0.00 0.00 0.00 179.25 179.98 2oi9 s SER 79 N -7.22 3.13 0.44 0.00 0.15 -1.25 -2.85 113.70 106.10 2oi9 s SER 79 Ca -0.09 -2.02 -0.23 0.00 0.70 0.00 0.00 55.95 54.31 2oi9 s SER 79 Cb 0.08 -0.42 -0.08 0.00 -1.71 0.00 0.00 66.02 63.88 2oi9 s SER 79 CO 0.91 -0.33 1.08 0.68 1.20 0.00 0.00 173.24 176.77 2oi9 s VAL 80 N 1.25 3.54 0.27 4.45 -7.23 -0.28 -4.75 120.40 117.64 2oi9 s VAL 80 Ca 0.16 1.11 0.08 0.00 -1.81 0.00 0.00 61.98 61.52 2oi9 s VAL 80 Cb -0.22 -3.54 -0.04 0.00 0.56 0.00 0.00 36.38 33.15 2oi9 s VAL 80 CO -0.07 -0.06 0.18 -1.00 -0.31 0.00 0.00 175.10 173.84 2oi9 s HIS 81 N -1.70 2.98 0.36 2.82 3.76 -1.26 -0.60 115.29 121.65 2oi9 s HIS 81 Ca 0.62 -0.18 0.09 0.00 -0.15 0.00 0.00 55.06 55.45 2oi9 s HIS 81 Cb -0.23 -1.45 0.83 0.00 1.11 0.00 0.00 32.58 32.85 2oi9 s HIS 81 CO 0.28 0.47 1.87 0.00 -0.85 0.00 0.00 174.74 176.51 2oi9 h ARG 82 N 1.52 0.66 0.00 1.40 3.08 -1.94 -0.20 114.38 118.89 2oi9 h ARG 82 Ca -0.47 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2oi9 h ARG 82 Cb 1.24 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2oi9 h ARG 82 CO 0.60 0.43 0.00 -1.13 -1.07 0.00 0.00 179.97 178.81 2oi9 n SER 83 N -4.56 0.00 -0.20 7.04 3.41 -1.26 -1.92 113.62 116.12 2oi9 n SER 83 Ca 0.18 0.19 0.14 0.00 -0.26 0.00 0.00 58.87 59.12 2oi9 n SER 83 Cb 0.48 -0.31 0.57 0.00 -0.26 0.00 0.00 64.21 64.69 2oi9 n SER 83 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2oi9 n ASP 84 N -1.31 0.75 -4.64 4.04 8.00 -0.09 -4.83 116.55 118.47 2oi9 n ASP 84 Ca 0.04 -0.86 -0.42 0.00 0.71 0.00 0.00 54.79 54.26 2oi9 n ASP 84 Cb 0.08 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 2oi9 n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2oi9 s SER 85 N -2.35 6.17 0.00 -2.24 0.01 -0.81 -4.87 113.70 109.63 2oi9 s SER 85 Ca 0.31 2.25 -0.11 0.00 1.31 0.00 0.00 55.95 59.71 2oi9 s SER 85 Cb 0.20 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.94 2oi9 s SER 85 CO 0.45 -1.34 0.51 0.00 0.41 0.00 0.00 173.24 173.27 2oi9 n ALA 86 N 8.85 -1.42 -3.03 1.44 0.00 -1.03 -4.93 120.51 120.38 2oi9 n ALA 86 Ca 0.22 -0.34 -0.34 0.00 0.00 0.00 0.00 53.44 52.98 2oi9 n ALA 86 Cb 0.43 0.09 -0.12 0.00 0.00 0.00 0.00 19.45 19.85 2oi9 n ALA 86 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2oi9 s VAL 87 N -2.14 3.85 -0.16 0.00 1.01 -0.77 -0.51 120.40 121.68 2oi9 s VAL 87 Ca 0.12 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 2oi9 s VAL 87 Cb -0.00 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 2oi9 s VAL 87 CO 0.00 0.47 -0.02 -0.31 0.00 0.00 0.00 175.10 175.24 2oi9 s TYR 88 N 0.61 3.06 -0.08 5.22 1.51 0.17 -0.72 117.35 127.12 2oi9 s TYR 88 Ca -0.02 -0.24 0.04 0.00 -1.01 0.00 0.00 57.07 55.84 2oi9 s TYR 88 Cb -0.14 -1.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.72 2oi9 s TYR 88 CO 0.02 -0.01 -0.22 -0.06 -1.11 0.00 0.00 175.55 174.17 2oi9 s PHE 89 N 0.38 2.55 0.05 2.71 0.08 0.08 -0.94 117.98 122.89 2oi9 s PHE 89 Ca -0.03 -0.78 -0.12 0.00 0.12 0.00 0.00 56.93 56.13 2oi9 s PHE 89 Cb -0.14 -1.67 -0.06 0.00 -0.57 0.00 0.00 43.02 40.58 2oi9 s PHE 89 CO 0.02 -0.25 0.40 0.00 -0.10 0.00 0.00 175.22 175.29 2oi9 s ALA 91 N -1.27 0.07 -0.01 0.00 0.00 0.35 -0.46 121.76 120.44 2oi9 s ALA 91 Ca 0.29 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.55 2oi9 s ALA 91 Cb -0.15 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 2oi9 s ALA 91 CO 0.16 -0.35 -0.11 0.54 0.00 0.00 0.00 175.76 176.00 2oi9 s VAL 92 N -3.09 0.86 0.15 0.00 0.11 -0.71 -0.48 120.40 117.25 2oi9 s VAL 92 Ca -0.01 -0.46 -0.30 0.00 -2.93 0.00 0.00 61.98 58.29 2oi9 s VAL 92 Cb 0.02 -0.73 -0.07 0.00 -1.53 0.00 0.00 36.38 34.07 2oi9 s VAL 92 CO -0.07 0.25 1.07 -0.55 -3.33 0.00 0.00 175.10 172.47 2oi9 s SER 93 N -0.18 7.31 0.00 3.54 0.15 0.59 -1.10 113.70 124.01 2oi9 s SER 93 Ca 0.03 2.01 0.00 0.00 0.70 0.00 0.00 55.95 58.68 2oi9 s SER 93 Cb -0.05 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2oi9 s SER 93 CO -0.00 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2oi9 n GLY 99 N 2.19 5.33 3.61 9.45 0.00 0.94 -4.70 105.19 122.02 2oi9 n GLY 99 Ca 0.03 -1.40 -0.45 0.00 0.00 0.00 0.00 46.02 44.20 2oi9 n GLY 99 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2oi9 n PHE 100 N 0.00 1.52 -1.32 1.61 7.35 -1.26 -0.83 117.46 124.53 2oi9 n PHE 100 Ca 0.00 0.64 -0.13 0.00 -0.76 0.00 0.00 57.45 57.21 2oi9 n PHE 100 Cb 0.00 -2.30 -0.05 0.00 0.35 0.00 0.00 39.48 37.47 2oi9 n PHE 100 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2oi9 n ALA 101 N 0.72 -0.19 -1.31 3.13 0.00 -1.26 -1.44 120.51 120.15 2oi9 n ALA 101 Ca 0.10 0.20 -0.11 0.00 0.00 0.00 0.00 53.44 53.64 2oi9 n ALA 101 Cb 0.31 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.24 2oi9 n ALA 101 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2oi9 n SER 102 N -0.57 -4.64 -4.76 0.00 7.64 -0.01 -4.99 113.62 106.29 2oi9 n SER 102 Ca -0.13 0.26 -0.41 0.00 1.01 0.00 0.00 58.87 59.61 2oi9 n SER 102 Cb 0.47 -3.08 -0.03 0.00 -1.01 0.00 0.00 64.21 60.56 2oi9 n SER 102 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2oi9 s ALA 103 N -2.28 3.51 0.16 -0.43 0.00 -0.52 -4.62 121.76 117.57 2oi9 s ALA 103 Ca 0.00 1.19 -0.29 0.00 0.00 0.00 0.00 51.96 52.86 2oi9 s ALA 103 Cb 0.00 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 2oi9 s ALA 103 CO 0.00 -0.57 0.91 -0.51 0.00 0.00 0.00 175.76 175.59 2oi9 s LEU 104 N -1.21 4.56 -0.26 0.00 1.43 -1.26 -0.04 118.68 121.89 2oi9 s LEU 104 Ca 0.51 1.80 -0.09 0.00 -1.03 0.00 0.00 54.13 55.33 2oi9 s LEU 104 Cb -0.38 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.27 2oi9 s LEU 104 CO 0.47 0.06 0.13 -0.89 0.23 0.00 0.00 176.35 176.34 2oi9 s THR 105 N -0.57 4.80 0.20 5.49 2.01 -0.26 -4.92 115.64 122.39 2oi9 s THR 105 Ca 0.43 -0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.38 2oi9 s THR 105 Cb -0.24 -3.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 2oi9 s THR 105 CO 0.30 0.30 0.43 -0.36 -0.69 0.00 0.00 174.62 174.60 2oi9 s PHE 106 N 1.64 3.47 1.04 4.92 0.08 -1.26 -1.73 117.98 126.14 2oi9 s PHE 106 Ca 0.07 0.53 -0.18 0.00 0.12 0.00 0.00 56.93 57.47 2oi9 s PHE 106 Cb -0.15 -2.00 0.24 0.00 -0.57 0.00 0.00 43.02 40.54 2oi9 s PHE 106 CO 0.07 0.35 1.32 0.20 -0.10 0.00 0.00 175.22 177.06 2oi9 s GLY 107 N -2.81 1.79 0.19 4.36 0.00 0.40 -4.76 107.32 106.49 2oi9 s GLY 107 Ca 0.41 -1.29 0.26 0.00 0.00 0.00 0.00 44.72 44.10 2oi9 s GLY 107 CO 0.27 -0.44 1.79 -1.14 0.00 0.00 0.00 173.10 173.58 2oi9 n SER 108 N -4.04 0.72 0.00 1.64 3.41 -1.26 -4.83 113.62 109.26 2oi9 n SER 108 Ca 0.17 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.35 2oi9 n SER 108 Cb 0.59 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 2oi9 n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2oi9 n GLY 109 N 1.26 1.31 2.88 5.00 0.00 -1.26 -5.02 105.19 109.37 2oi9 n GLY 109 Ca 0.06 -1.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.09 2oi9 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oi9 s THR 110 N -2.61 0.95 -0.03 2.61 2.01 -0.11 -4.61 115.64 113.85 2oi9 s THR 110 Ca 0.00 -0.35 -0.30 0.00 0.31 0.00 0.00 61.69 61.35 2oi9 s THR 110 Cb 0.00 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 2oi9 s THR 110 CO 0.00 0.26 0.98 -0.75 -0.69 0.00 0.00 174.62 174.42 2oi9 s LYS 111 N 1.73 4.52 -0.14 4.92 2.20 -0.44 -0.66 119.74 131.86 2oi9 s LYS 111 Ca 0.03 1.40 -0.02 0.00 -0.36 0.00 0.00 55.97 57.02 2oi9 s LYS 111 Cb -0.13 -3.48 -0.02 0.00 -1.51 0.00 0.00 37.83 32.68 2oi9 s LYS 111 CO -0.08 -0.12 -0.09 0.08 -0.36 0.00 0.00 175.35 174.79 2oi9 s VAL 112 N 1.27 3.41 -0.16 4.02 1.01 0.33 -0.59 120.40 129.70 2oi9 s VAL 112 Ca 0.51 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.97 2oi9 s VAL 112 Cb -0.20 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.73 2oi9 s VAL 112 CO 0.25 0.51 -0.21 -0.63 0.00 0.00 0.00 175.10 175.02 2oi9 s ILE 113 N 0.38 2.10 -0.29 2.22 1.01 -0.05 -2.46 121.20 124.12 2oi9 s ILE 113 Ca -0.08 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.57 2oi9 s ILE 113 Cb -0.15 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.48 2oi9 s ILE 113 CO 0.04 0.54 0.04 0.54 0.00 0.00 0.00 174.94 176.11 2oi9 s VAL 114 N 1.06 3.63 -2.06 2.92 0.11 -1.26 -1.14 120.40 123.66 2oi9 s VAL 114 Ca -0.01 -0.84 0.32 0.00 -2.93 0.00 0.00 61.98 58.52 2oi9 s VAL 114 Cb -0.14 -2.89 0.87 0.00 -1.53 0.00 0.00 36.38 32.69 2oi9 s VAL 114 CO -0.07 0.08 2.17 0.18 -3.33 0.00 0.00 175.10 174.13