#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ikn s TYR 20 N 0.00 -0.08 -0.21 0.54 1.13 -1.06 -4.84 117.35 112.83 1ikn s TYR 20 Ca 0.00 -0.22 -0.07 0.00 -1.41 0.00 0.00 57.07 55.38 1ikn s TYR 20 Cb 0.00 0.13 -0.03 0.00 -1.10 0.00 0.00 41.96 40.95 1ikn s TYR 20 CO 0.00 -0.60 0.04 0.54 -2.51 0.00 0.00 175.55 173.02 1ikn s VAL 21 N -3.48 4.38 -0.11 -3.49 0.11 -1.26 -0.40 120.40 116.15 1ikn s VAL 21 Ca 0.01 -0.17 0.03 0.00 -2.93 0.00 0.00 61.98 58.93 1ikn s VAL 21 Cb 0.02 -3.00 0.01 0.00 -1.53 0.00 0.00 36.38 31.88 1ikn s VAL 21 CO -0.09 0.41 -0.20 -1.83 -3.33 0.00 0.00 175.10 170.06 1ikn s GLU 22 N 0.94 2.69 0.03 1.54 -1.05 -0.51 -4.86 118.70 117.48 1ikn s GLU 22 Ca 0.03 -0.74 -0.30 0.00 -0.15 0.00 0.00 54.97 53.80 1ikn s GLU 22 Cb -0.14 -2.14 -0.06 0.00 -0.44 0.00 0.00 34.13 31.34 1ikn s GLU 22 CO 0.02 0.04 1.46 0.42 0.95 0.00 0.00 175.26 178.15 1ikn s ILE 23 N 0.69 3.51 -0.10 1.83 1.01 -1.26 -1.74 121.20 125.14 1ikn s ILE 23 Ca -0.12 0.94 0.19 0.00 0.00 0.00 0.00 60.65 61.66 1ikn s ILE 23 Cb -0.16 -3.60 -0.29 0.00 0.01 0.00 0.00 42.46 38.42 1ikn s ILE 23 CO 0.02 0.01 0.30 -0.38 0.00 0.00 0.00 174.94 174.89 1ikn n ILE 24 N 4.60 0.55 -3.60 2.92 2.08 0.13 -4.75 119.36 121.29 1ikn n ILE 24 Ca 0.14 -0.62 -0.29 0.00 0.56 0.00 0.00 62.75 62.53 1ikn n ILE 24 Cb 0.43 -0.19 -0.13 0.00 -0.75 0.00 0.00 39.64 39.00 1ikn n ILE 24 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1ikn s GLU 25 N -3.05 0.74 0.71 0.38 2.56 -0.67 -4.94 118.70 114.42 1ikn s GLU 25 Ca -0.08 -1.36 -0.15 0.00 0.00 0.00 0.00 54.97 53.38 1ikn s GLU 25 Cb 0.10 -1.72 0.03 0.00 2.00 0.00 0.00 34.13 34.54 1ikn s GLU 25 CO 0.84 -1.12 1.18 -0.65 -0.56 0.00 0.00 175.26 174.94 1ikn s GLN 26 N 1.12 2.35 0.66 4.30 -1.52 -1.26 -1.43 119.66 123.88 1ikn s GLN 26 Ca 0.15 1.65 -0.12 0.00 -1.95 0.00 0.00 55.36 55.09 1ikn s GLN 26 Cb -0.21 -1.87 -0.01 0.00 -0.22 0.00 0.00 33.01 30.70 1ikn s GLN 26 CO -0.10 -1.65 1.05 -1.25 -0.25 0.00 0.00 175.29 173.09 1ikn s PRO 27 N -3.95 3.16 0.13 2.91 0.04 -1.26 0.11 135.00 136.15 1ikn s PRO 27 Ca 0.72 0.97 -0.31 0.00 0.04 0.00 0.00 61.00 62.41 1ikn s PRO 27 Cb -0.27 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 1ikn s PRO 27 CO 0.44 -0.92 1.53 0.21 0.04 0.00 0.00 177.00 178.29 1ikn s LYS 28 N -4.85 4.24 -0.04 4.56 2.47 0.50 -4.11 119.74 122.51 1ikn s LYS 28 Ca 0.59 2.27 -0.05 0.00 -1.56 0.00 0.00 55.97 57.21 1ikn s LYS 28 Cb -0.14 -3.25 -0.03 0.00 -1.46 0.00 0.00 37.83 32.96 1ikn s LYS 28 CO 0.50 -0.58 0.30 1.96 0.16 0.00 0.00 175.35 177.70 1ikn h GLN 29 N 7.03 -0.19 -6.52 4.03 4.20 -1.90 -3.45 115.11 118.31 1ikn h GLN 29 Ca -0.42 0.01 -0.50 0.00 0.06 0.00 0.00 58.65 57.80 1ikn h GLN 29 Cb 1.20 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1ikn h GLN 29 CO 0.90 -0.12 -0.15 1.03 -0.67 0.00 0.00 178.83 179.82 1ikn s ARG 30 N -2.14 3.57 0.00 1.46 0.52 -1.26 -0.55 118.95 120.55 1ikn s ARG 30 Ca -0.03 -0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.07 1ikn s ARG 30 Cb 0.00 -2.64 0.00 0.00 0.52 0.00 0.00 34.95 32.84 1ikn s ARG 30 CO 0.08 0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.98 1ikn n GLY 31 N -1.33 3.39 3.73 -3.53 0.00 -1.26 -4.94 105.19 101.26 1ikn n GLY 31 Ca -0.03 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 1ikn n GLY 31 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ikn s MET 32 N 0.00 4.57 -0.26 1.61 -2.45 -1.26 -4.84 119.30 116.67 1ikn s MET 32 Ca 0.00 1.69 -0.12 0.00 -1.25 0.00 0.00 55.69 56.01 1ikn s MET 32 Cb 0.00 -3.31 -0.05 0.00 1.25 0.00 0.00 34.83 32.72 1ikn s MET 32 CO 0.00 0.02 0.22 -0.98 1.05 0.00 0.00 175.02 175.33 1ikn s ARG 33 N -0.00 4.02 -0.06 4.11 3.03 -1.26 -3.75 118.95 125.02 1ikn s ARG 33 Ca 0.51 -0.22 -0.30 0.00 2.03 0.00 0.00 55.73 57.75 1ikn s ARG 33 Cb -0.28 -3.61 -0.04 0.00 -1.03 0.00 0.00 34.95 29.98 1ikn s ARG 33 CO 0.33 -0.10 1.46 -0.06 -1.13 0.00 0.00 175.30 175.80 1ikn s PHE 34 N 1.53 2.52 0.37 5.89 0.08 -1.26 -4.93 117.98 122.17 1ikn s PHE 34 Ca 0.09 0.63 0.08 0.00 0.12 0.00 0.00 56.93 57.85 1ikn s PHE 34 Cb -0.15 -3.72 -0.04 0.00 -0.57 0.00 0.00 43.02 38.54 1ikn s PHE 34 CO 0.08 -2.79 0.19 -0.98 -0.10 0.00 0.00 175.22 171.62 1ikn s ARG 35 N 3.29 2.36 0.07 0.44 1.70 -1.21 -4.72 118.95 120.88 1ikn s ARG 35 Ca 0.65 -1.62 -0.00 0.00 -0.47 0.00 0.00 55.73 54.29 1ikn s ARG 35 Cb -0.30 -2.16 -0.04 0.00 -0.57 0.00 0.00 34.95 31.88 1ikn s ARG 35 CO 0.25 0.01 0.22 0.71 -1.08 0.00 0.00 175.30 175.41 1ikn s TYR 36 N -2.47 3.52 0.26 5.89 1.51 -1.26 0.58 117.35 125.38 1ikn s TYR 36 Ca 0.40 0.26 -0.03 0.00 -1.01 0.00 0.00 57.07 56.69 1ikn s TYR 36 Cb -0.01 -1.77 0.39 0.00 -0.11 0.00 0.00 41.96 40.46 1ikn s TYR 36 CO 0.23 0.58 1.87 -0.22 -1.11 0.00 0.00 175.55 176.91 1ikn h LYS 37 N 3.05 1.09 -0.78 -0.62 3.64 -1.77 -3.08 116.57 118.10 1ikn h LYS 37 Ca -0.45 -0.07 0.17 0.00 -1.27 0.00 0.00 60.65 59.03 1ikn h LYS 37 Cb 1.16 -0.24 -0.11 0.00 -0.41 0.00 0.00 32.23 32.63 1ikn h LYS 37 CO 0.76 0.72 0.26 0.00 -2.27 0.00 0.00 179.45 178.91 1ikn h GLU 39 N 0.35 -0.80 0.00 0.00 5.08 -1.97 -3.49 114.58 113.75 1ikn h GLU 39 Ca 0.44 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 1ikn h GLU 39 Cb 0.75 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1ikn h GLU 39 CO -0.48 -0.53 0.00 0.41 -1.00 0.00 0.00 179.01 177.41 1ikn n GLY 40 N -1.44 -1.10 0.00 -3.84 0.00 -0.54 -5.06 105.19 93.21 1ikn n GLY 40 Ca -0.13 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1ikn n GLY 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ikn n ARG 41 N 0.00 0.00 0.00 1.61 0.63 -1.26 -4.23 116.66 113.41 1ikn n ARG 41 Ca 0.00 0.37 0.00 0.00 -0.92 0.00 0.00 57.85 57.30 1ikn n ARG 41 Cb 0.00 -1.05 0.00 0.00 0.45 0.00 0.00 32.46 31.86 1ikn n ARG 41 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1ikn n SER 42 N -1.60 0.35 0.00 6.15 3.41 -1.26 -4.90 113.62 115.77 1ikn n SER 42 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ikn n SER 42 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ikn n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ikn n ALA 43 N -3.00 0.00 -2.59 7.33 0.00 -1.26 -5.14 120.51 115.85 1ikn n ALA 43 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1ikn n ALA 43 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1ikn n ALA 43 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ikn s GLY 44 N 0.00 1.04 0.38 0.00 0.00 -1.26 -5.16 107.32 102.33 1ikn s GLY 44 Ca 0.00 -1.07 0.08 0.00 0.00 0.00 0.00 44.72 43.72 1ikn s GLY 44 CO 0.00 -1.06 0.27 -1.35 0.00 0.00 0.00 173.10 170.95 1ikn s SER 45 N -1.59 4.91 -0.15 1.64 1.04 -1.26 -4.78 113.70 113.50 1ikn s SER 45 Ca 0.04 -0.75 -0.32 0.00 0.48 0.00 0.00 55.95 55.40 1ikn s SER 45 Cb -0.09 -0.68 -0.09 0.00 0.10 0.00 0.00 66.02 65.25 1ikn s SER 45 CO 0.03 -0.48 2.06 -0.38 0.98 0.00 0.00 173.24 175.45 1ikn n ILE 46 N -1.36 0.48 -1.62 -1.02 5.41 0.50 -4.91 119.36 116.83 1ikn n ILE 46 Ca -0.00 -0.25 -0.31 0.00 1.00 0.00 0.00 62.75 63.19 1ikn n ILE 46 Cb 0.62 -2.13 0.05 0.00 -0.71 0.00 0.00 39.64 37.46 1ikn n ILE 46 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1ikn s PRO 47 N 5.24 2.93 0.70 0.38 0.04 -1.26 -4.47 135.00 138.56 1ikn s PRO 47 Ca 0.98 0.87 -0.11 0.00 0.04 0.00 0.00 61.00 62.78 1ikn s PRO 47 Cb -0.56 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 31.99 1ikn s PRO 47 CO 0.44 -1.08 1.08 0.20 0.04 0.00 0.00 177.00 177.68 1ikn s GLY 48 N -3.88 1.64 0.18 0.56 0.00 -0.68 -0.37 107.32 104.76 1ikn s GLY 48 Ca 0.58 -0.22 -0.14 0.00 0.00 0.00 0.00 44.72 44.94 1ikn s GLY 48 CO 0.55 0.13 1.79 1.05 0.00 0.00 0.00 173.10 176.62 1ikn h GLU 49 N -0.67 0.51 -0.35 2.90 4.11 0.65 -2.64 114.58 119.09 1ikn h GLU 49 Ca -0.45 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1ikn h GLU 49 Cb 1.24 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1ikn h GLU 49 CO 0.62 0.34 0.00 0.54 0.07 0.00 0.00 179.01 180.57 1ikn n ARG 50 N -4.86 0.91 -2.35 1.06 1.74 -1.26 -4.77 116.66 107.13 1ikn n ARG 50 Ca 0.04 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.71 1ikn n ARG 50 Cb 0.11 -1.18 -0.03 0.00 -1.02 0.00 0.00 32.46 30.34 1ikn n ARG 50 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1ikn s SER 51 N -0.70 7.08 0.32 0.55 0.01 -1.00 -4.89 113.70 115.08 1ikn s SER 51 Ca 0.00 2.32 0.09 0.00 1.31 0.00 0.00 55.95 59.67 1ikn s SER 51 Cb 0.00 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 1ikn s SER 51 CO 0.00 -0.34 -0.02 -0.89 0.41 0.00 0.00 173.24 172.40 1ikn s THR 52 N -0.49 2.69 -1.13 1.44 2.01 -0.52 -4.98 115.64 114.66 1ikn s THR 52 Ca 0.50 -2.02 0.00 0.00 0.31 0.00 0.00 61.69 60.48 1ikn s THR 52 Cb -0.34 -2.74 0.00 0.00 0.01 0.00 0.00 72.50 69.43 1ikn s THR 52 CO 0.40 -0.24 0.78 -0.90 -0.69 0.00 0.00 174.62 173.97 1ikn n ASP 53 N -0.90 0.00 0.00 3.53 5.75 -1.26 -2.36 116.55 121.31 1ikn n ASP 53 Ca -0.05 0.30 0.00 0.00 -0.01 0.00 0.00 54.79 55.03 1ikn n ASP 53 Cb 0.62 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1ikn n ASP 53 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1ikn n THR 54 N -1.28 0.00 -4.06 2.12 -1.04 -1.26 -5.04 114.28 103.72 1ikn n THR 54 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 1ikn n THR 54 Cb 0.05 -0.79 -0.09 0.00 -1.82 0.00 0.00 70.33 67.67 1ikn n THR 54 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1ikn s THR 55 N -1.85 4.77 0.04 12.58 2.01 -1.00 -5.10 115.64 127.09 1ikn s THR 55 Ca 0.00 -0.05 -0.00 0.00 0.31 0.00 0.00 61.69 61.95 1ikn s THR 55 Cb 0.00 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 1ikn s THR 55 CO 0.00 0.51 0.18 -0.54 -0.69 0.00 0.00 174.62 174.07 1ikn s LYS 56 N -0.02 3.34 0.24 4.92 3.01 -1.26 -1.44 119.74 128.53 1ikn s LYS 56 Ca 0.06 -0.44 -0.11 0.00 -1.01 0.00 0.00 55.97 54.46 1ikn s LYS 56 Cb -0.12 -3.00 -0.01 0.00 -1.01 0.00 0.00 37.83 33.69 1ikn s LYS 56 CO 0.01 0.63 0.44 0.99 0.51 0.00 0.00 175.35 177.92 1ikn s THR 57 N -1.42 0.00 0.09 2.17 2.01 -1.26 -4.96 115.64 112.27 1ikn s THR 57 Ca 0.31 -1.47 -0.08 0.00 0.31 0.00 0.00 61.69 60.76 1ikn s THR 57 Cb -0.13 -2.23 -0.01 0.00 0.01 0.00 0.00 72.50 70.15 1ikn s THR 57 CO 0.24 -0.01 0.18 -1.00 -0.69 0.00 0.00 174.62 173.34 1ikn s HIS 58 N -4.03 0.23 -0.37 4.92 3.76 -1.26 -1.68 115.29 116.84 1ikn s HIS 58 Ca 0.24 -0.66 -0.35 0.00 -0.15 0.00 0.00 55.06 54.15 1ikn s HIS 58 Cb 0.00 -0.10 -0.11 0.00 1.11 0.00 0.00 32.58 33.48 1ikn s HIS 58 CO 0.09 -0.55 2.22 -2.30 -0.85 0.00 0.00 174.74 173.36 1ikn n PRO 59 N -0.06 1.05 -5.23 8.40 -0.02 -1.26 -4.67 135.00 133.20 1ikn n PRO 59 Ca -0.14 0.27 -0.30 0.00 -2.02 0.00 0.00 63.50 61.31 1ikn n PRO 59 Cb 0.62 -2.49 -0.16 0.00 -0.02 0.00 0.00 33.50 31.46 1ikn n PRO 59 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ikn s THR 60 N 7.62 1.96 0.37 3.45 2.01 -0.51 -1.71 115.64 128.83 1ikn s THR 60 Ca 1.10 -1.05 0.06 0.00 0.31 0.00 0.00 61.69 62.12 1ikn s THR 60 Cb -0.83 -1.64 -0.07 0.00 0.01 0.00 0.00 72.50 69.97 1ikn s THR 60 CO 0.48 0.55 0.00 0.27 -0.69 0.00 0.00 174.62 175.23 1ikn s ILE 61 N -0.44 1.78 -0.13 1.82 -4.36 -0.46 0.20 121.20 119.62 1ikn s ILE 61 Ca 0.05 -2.03 -0.08 0.00 -0.26 0.00 0.00 60.65 58.33 1ikn s ILE 61 Cb -0.11 -2.86 0.05 0.00 1.25 0.00 0.00 42.46 40.79 1ikn s ILE 61 CO 0.00 -0.05 0.32 -0.75 0.24 0.00 0.00 174.94 174.71 1ikn s LYS 62 N -3.75 0.31 0.04 0.37 2.20 -0.71 -0.08 119.74 118.12 1ikn s LYS 62 Ca 0.35 0.60 -0.14 0.00 -0.36 0.00 0.00 55.97 56.42 1ikn s LYS 62 Cb 0.08 -0.02 -0.06 0.00 -1.51 0.00 0.00 37.83 36.33 1ikn s LYS 62 CO 0.17 -0.13 0.44 0.42 -0.36 0.00 0.00 175.35 175.88 1ikn s ILE 63 N 1.05 4.99 0.02 5.43 -1.09 -0.04 -1.42 121.20 130.15 1ikn s ILE 63 Ca -0.07 0.81 0.06 0.00 -2.23 0.00 0.00 60.65 59.22 1ikn s ILE 63 Cb -0.08 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 37.05 1ikn s ILE 63 CO -0.08 0.49 -0.15 0.21 -1.23 0.00 0.00 174.94 174.18 1ikn s ASN 64 N -1.27 3.98 0.00 3.58 3.84 0.47 -4.55 114.94 120.98 1ikn s ASN 64 Ca 0.27 -0.34 0.00 0.00 0.21 0.00 0.00 52.86 53.00 1ikn s ASN 64 Cb -0.16 -0.73 0.00 0.00 -0.55 0.00 0.00 41.25 39.81 1ikn s ASN 64 CO 0.15 0.27 0.00 0.61 -2.79 0.00 0.00 177.10 175.35 1ikn n GLY 65 N 1.65 0.46 3.23 1.21 0.00 -1.26 0.30 105.19 110.78 1ikn n GLY 65 Ca -0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 1ikn n GLY 65 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ikn s TYR 66 N -2.28 -0.07 -0.28 1.61 6.14 -1.26 -4.59 117.35 116.62 1ikn s TYR 66 Ca 0.00 -0.07 -0.23 0.00 0.64 0.00 0.00 57.07 57.41 1ikn s TYR 66 Cb 0.00 0.06 0.12 0.00 0.42 0.00 0.00 41.96 42.56 1ikn s TYR 66 CO 0.00 -0.47 0.99 -0.08 0.64 0.00 0.00 175.55 176.63 1ikn s THR 67 N -2.44 0.00 -4.86 4.34 -1.32 -1.26 -4.81 115.64 105.29 1ikn s THR 67 Ca -0.06 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 1ikn s THR 67 Cb -0.01 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.98 1ikn s THR 67 CO -0.03 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.99 1ikn n GLY 68 N 2.54 0.97 3.56 6.08 0.00 -1.23 -5.10 105.19 112.01 1ikn n GLY 68 Ca -0.14 -1.89 -0.29 0.00 0.00 0.00 0.00 46.02 43.70 1ikn n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ikn s PRO 69 N -1.94 -0.29 0.00 1.61 0.04 -1.26 -4.15 135.00 129.01 1ikn s PRO 69 Ca 0.00 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1ikn s PRO 69 Cb 0.00 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.92 1ikn s PRO 69 CO 0.00 -3.32 0.00 0.41 0.04 0.00 0.00 177.00 174.13 1ikn n GLY 70 N 0.28 0.14 3.29 0.56 0.00 -1.26 -4.67 105.19 103.53 1ikn n GLY 70 Ca 0.05 -1.51 -0.16 0.00 0.00 0.00 0.00 46.02 44.40 1ikn n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ikn s THR 71 N -1.70 1.01 -0.02 2.61 -4.23 -0.72 0.11 115.64 112.70 1ikn s THR 71 Ca 0.00 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1ikn s THR 71 Cb 0.00 -2.15 0.02 0.00 1.34 0.00 0.00 72.50 71.71 1ikn s THR 71 CO 0.00 -0.48 0.00 0.54 -0.54 0.00 0.00 174.62 174.14 1ikn s VAL 72 N -3.44 0.13 -0.07 2.29 0.11 -0.92 -1.27 120.40 117.25 1ikn s VAL 72 Ca 0.24 0.09 0.04 0.00 -2.93 0.00 0.00 61.98 59.42 1ikn s VAL 72 Cb 0.05 -0.22 -0.02 0.00 -1.53 0.00 0.00 36.38 34.66 1ikn s VAL 72 CO 0.05 0.12 -0.20 -0.60 -3.33 0.00 0.00 175.10 171.15 1ikn s ARG 73 N 0.91 2.66 -0.23 1.54 3.52 0.44 -2.46 118.95 125.33 1ikn s ARG 73 Ca -0.09 -0.81 -0.01 0.00 -0.13 0.00 0.00 55.73 54.69 1ikn s ARG 73 Cb -0.12 -2.30 0.07 0.00 -1.56 0.00 0.00 34.95 31.04 1ikn s ARG 73 CO -0.02 0.43 0.01 0.42 -0.81 0.00 0.00 175.30 175.33 1ikn s ILE 74 N -0.26 1.01 0.37 4.11 1.01 0.36 -0.47 121.20 127.33 1ikn s ILE 74 Ca 0.00 -0.96 0.08 0.00 0.00 0.00 0.00 60.65 59.77 1ikn s ILE 74 Cb -0.13 -1.45 -0.06 0.00 0.01 0.00 0.00 42.46 40.83 1ikn s ILE 74 CO 0.03 -0.23 0.04 -0.94 0.00 0.00 0.00 174.94 173.84 1ikn s SER 75 N 1.62 4.15 0.28 3.58 1.04 -0.85 -0.78 113.70 122.75 1ikn s SER 75 Ca -0.01 -1.09 -0.08 0.00 0.48 0.00 0.00 55.95 55.24 1ikn s SER 75 Cb -0.18 -0.49 -0.07 0.00 0.10 0.00 0.00 66.02 65.39 1ikn s SER 75 CO -0.09 -0.34 0.59 -0.76 0.98 0.00 0.00 173.24 173.62 1ikn s LEU 76 N -3.75 4.08 0.10 2.42 1.02 -1.26 0.24 118.68 121.54 1ikn s LEU 76 Ca 0.36 0.90 -0.18 0.00 0.02 0.00 0.00 54.13 55.22 1ikn s LEU 76 Cb 0.03 -3.69 0.04 0.00 0.02 0.00 0.00 46.19 42.58 1ikn s LEU 76 CO 0.20 -0.16 0.45 0.68 0.02 0.00 0.00 176.35 177.53 1ikn s VAL 77 N -1.98 0.05 1.05 -1.59 -7.23 -0.28 -3.13 120.40 107.29 1ikn s VAL 77 Ca 0.47 -0.42 -0.12 0.00 -1.81 0.00 0.00 61.98 60.10 1ikn s VAL 77 Cb -0.11 -1.08 0.22 0.00 0.56 0.00 0.00 36.38 35.97 1ikn s VAL 77 CO 0.25 -0.23 1.07 0.42 -0.31 0.00 0.00 175.10 176.30 1ikn s THR 78 N -3.37 2.13 0.01 5.32 -4.23 -0.47 -0.71 115.64 114.32 1ikn s THR 78 Ca 0.00 0.04 -0.04 0.00 -1.18 0.00 0.00 61.69 60.51 1ikn s THR 78 Cb 0.01 -2.18 -0.28 0.00 1.34 0.00 0.00 72.50 71.39 1ikn s THR 78 CO -0.09 -0.06 0.88 0.50 -0.54 0.00 0.00 174.62 175.32 1ikn h LYS 79 N -2.25 0.27 -6.88 3.99 3.64 -1.89 -3.40 116.57 110.06 1ikn h LYS 79 Ca -0.55 -0.47 -0.50 0.00 -1.27 0.00 0.00 60.65 57.87 1ikn h LYS 79 Cb 1.31 0.17 0.03 0.00 -0.41 0.00 0.00 32.23 33.33 1ikn h LYS 79 CO 0.49 1.15 0.47 -0.51 -2.27 0.00 0.00 179.45 178.78 1ikn s ASP 80 N -7.04 6.94 0.04 4.20 1.01 -1.26 -4.96 116.67 115.60 1ikn s ASP 80 Ca -0.09 2.24 -0.08 0.00 0.71 0.00 0.00 52.55 55.34 1ikn s ASP 80 Cb 0.07 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.38 1ikn s ASP 80 CO 0.86 -0.37 0.40 -2.65 0.21 0.00 0.00 175.17 173.62 1ikn n PRO 81 N 0.58 -0.11 -2.08 8.23 -0.02 -1.26 -2.63 135.00 137.71 1ikn n PRO 81 Ca 0.02 0.39 -0.28 0.00 -2.02 0.00 0.00 63.50 61.61 1ikn n PRO 81 Cb 0.46 -0.58 -0.05 0.00 -0.02 0.00 0.00 33.50 33.31 1ikn n PRO 81 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1ikn s PRO 82 N -5.15 2.59 -1.01 0.52 0.02 -1.26 -4.82 135.00 125.90 1ikn s PRO 82 Ca -0.03 -0.64 -0.23 0.00 0.02 0.00 0.00 61.00 60.12 1ikn s PRO 82 Cb 0.03 -5.14 -0.03 0.00 0.02 0.00 0.00 34.50 29.38 1ikn s PRO 82 CO 0.16 -3.52 1.85 -1.01 -0.33 0.00 0.00 177.00 174.15 1ikn s HIS 83 N 10.13 2.02 0.37 6.54 3.76 -1.08 -4.83 115.29 132.20 1ikn s HIS 83 Ca 0.68 0.21 -0.10 0.00 -0.15 0.00 0.00 55.06 55.71 1ikn s HIS 83 Cb -0.04 -4.19 -0.06 0.00 1.11 0.00 0.00 32.58 29.40 1ikn s HIS 83 CO 0.04 -1.66 0.72 1.03 -0.85 0.00 0.00 174.74 174.02 1ikn s ARG 84 N 6.38 3.76 0.99 1.40 0.52 -1.26 -4.61 118.95 126.12 1ikn s ARG 84 Ca 0.65 0.38 -0.12 0.00 -0.52 0.00 0.00 55.73 56.11 1ikn s ARG 84 Cb -0.04 -2.45 0.13 0.00 0.52 0.00 0.00 34.95 33.11 1ikn s ARG 84 CO 0.02 0.04 0.77 -2.30 0.02 0.00 0.00 175.30 173.84 1ikn n PRO 85 N -1.13 -0.81 -4.98 3.54 -0.02 -1.26 -1.37 135.00 128.97 1ikn n PRO 85 Ca 0.02 -0.19 -0.32 0.00 -2.02 0.00 0.00 63.50 60.99 1ikn n PRO 85 Cb 0.54 -2.11 -0.14 0.00 -0.02 0.00 0.00 33.50 31.77 1ikn n PRO 85 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1ikn s HIS 86 N -2.49 2.53 0.57 6.00 2.46 -1.18 -4.56 115.29 118.62 1ikn s HIS 86 Ca 0.63 -0.28 0.26 0.00 0.47 0.00 0.00 55.06 56.13 1ikn s HIS 86 Cb -0.22 -1.54 1.56 0.00 -0.13 0.00 0.00 32.58 32.25 1ikn s HIS 86 CO 0.63 0.12 2.10 -1.00 -2.47 0.00 0.00 174.74 174.13 1ikn h PRO 87 N 5.19 0.00 -7.29 2.88 0.13 -1.92 -3.42 132.00 127.57 1ikn h PRO 87 Ca -0.46 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.17 1ikn h PRO 87 Cb 1.14 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.43 1ikn h PRO 87 CO 0.48 0.00 0.25 -1.01 -0.23 0.00 0.00 178.00 177.50 1ikn s HIS 88 N -4.78 2.11 -0.14 1.56 3.76 -1.26 -4.54 115.29 112.00 1ikn s HIS 88 Ca -0.05 1.56 -0.04 0.00 -0.15 0.00 0.00 55.06 56.39 1ikn s HIS 88 Cb 0.16 -3.17 0.05 0.00 1.11 0.00 0.00 32.58 30.73 1ikn s HIS 88 CO 0.60 -2.40 0.07 -1.83 -0.85 0.00 0.00 174.74 170.33 1ikn s GLU 89 N -4.79 0.18 0.26 1.40 -1.05 0.13 -4.88 118.70 109.95 1ikn s GLU 89 Ca 0.64 -0.03 -0.30 0.00 -0.15 0.00 0.00 54.97 55.13 1ikn s GLU 89 Cb -0.20 -1.55 -0.14 0.00 -0.44 0.00 0.00 34.13 31.81 1ikn s GLU 89 CO 0.57 -0.57 1.19 1.28 0.95 0.00 0.00 175.26 178.68 1ikn n LEU 90 N 5.23 2.36 -4.30 1.83 4.77 0.25 -2.40 117.00 124.74 1ikn n LEU 90 Ca -0.07 1.17 -0.16 0.00 -0.03 0.00 0.00 56.01 56.92 1ikn n LEU 90 Cb 0.49 -1.34 -0.10 0.00 -2.33 0.00 0.00 43.42 40.14 1ikn n LEU 90 CO 0.10 -1.00 -0.40 0.68 -1.33 0.00 0.00 177.39 175.44 1ikn s VAL 91 N -0.64 1.31 -2.02 4.08 -7.23 0.31 -4.24 120.40 111.97 1ikn s VAL 91 Ca 0.63 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 1ikn s VAL 91 Cb -0.70 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.23 1ikn s VAL 91 CO 0.56 -0.61 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 1ikn n GLY 92 N -0.30 0.55 3.80 2.32 0.00 -1.26 -0.94 105.19 109.35 1ikn n GLY 92 Ca -0.08 -1.96 -0.32 0.00 0.00 0.00 0.00 46.02 43.66 1ikn n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ikn s LYS 93 N -0.81 3.04 0.00 1.61 1.02 -1.26 -3.36 119.74 119.98 1ikn s LYS 93 Ca 0.00 1.13 0.00 0.00 0.02 0.00 0.00 55.97 57.12 1ikn s LYS 93 Cb 0.00 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.31 1ikn s LYS 93 CO 0.00 -1.03 0.00 -0.25 -0.92 0.00 0.00 175.35 173.15 1ikn n ASP 94 N -2.58 -1.89 -4.87 2.83 8.00 -1.26 -4.84 116.55 111.93 1ikn n ASP 94 Ca 0.08 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.25 1ikn n ASP 94 Cb 0.53 -2.09 -0.05 0.00 -0.02 0.00 0.00 41.12 39.48 1ikn n ASP 94 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ikn s ARG 96 N -2.24 0.86 0.00 0.00 3.03 0.68 -4.87 118.95 116.41 1ikn s ARG 96 Ca 0.39 0.17 0.00 0.00 2.03 0.00 0.00 55.73 58.32 1ikn s ARG 96 Cb -0.13 0.41 0.00 0.00 -1.03 0.00 0.00 34.95 34.19 1ikn s ARG 96 CO 0.20 -0.28 0.00 -0.25 -1.13 0.00 0.00 175.30 173.84 1ikn n ASP 97 N 0.76 0.00 0.00 -2.89 8.00 -1.26 -1.83 116.55 119.33 1ikn n ASP 97 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1ikn n ASP 97 Cb 0.58 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 1ikn n ASP 97 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ikn n GLY 98 N -1.37 0.59 0.97 0.44 0.00 -1.26 -4.93 105.19 99.63 1ikn n GLY 98 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1ikn n GLY 98 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1ikn n TYR 99 N 0.00 0.16 -4.31 1.61 4.11 -0.76 -0.59 117.16 117.39 1ikn n TYR 99 Ca 0.00 -0.72 -0.30 0.00 -0.00 0.00 0.00 57.90 56.89 1ikn n TYR 99 Cb 0.00 -0.04 -0.11 0.00 -0.00 0.00 0.00 39.34 39.19 1ikn n TYR 99 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 1ikn s TYR 100 N -1.77 2.61 -0.30 -3.48 6.14 0.04 -0.23 117.35 120.37 1ikn s TYR 100 Ca 0.03 -0.22 -0.09 0.00 0.64 0.00 0.00 57.07 57.43 1ikn s TYR 100 Cb 0.00 -1.39 0.16 0.00 0.42 0.00 0.00 41.96 41.16 1ikn s TYR 100 CO 0.02 0.39 0.77 -2.00 0.64 0.00 0.00 175.55 175.37 1ikn s GLU 101 N -2.10 0.46 0.16 4.97 2.12 -0.23 -0.48 118.70 123.59 1ikn s GLU 101 Ca 0.19 1.02 -0.09 0.00 0.36 0.00 0.00 54.97 56.45 1ikn s GLU 101 Cb -0.11 0.60 -0.01 0.00 0.26 0.00 0.00 34.13 34.87 1ikn s GLU 101 CO 0.11 -0.29 0.27 0.00 -0.54 0.00 0.00 175.26 174.80 1ikn s ALA 102 N 2.79 0.02 0.80 6.30 0.00 -1.03 -4.73 121.76 125.91 1ikn s ALA 102 Ca 0.03 -0.89 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 1ikn s ALA 102 Cb -0.11 0.83 0.07 0.00 0.00 0.00 0.00 23.12 23.91 1ikn s ALA 102 CO -0.18 -0.63 1.09 -0.51 0.00 0.00 0.00 175.76 175.53 1ikn s ASP 103 N -2.96 4.26 -0.27 0.00 1.11 -1.26 -2.16 116.67 115.39 1ikn s ASP 103 Ca 0.16 1.80 -0.09 0.00 0.18 0.00 0.00 52.55 54.61 1ikn s ASP 103 Cb 0.04 -2.48 -0.03 0.00 1.07 0.00 0.00 42.92 41.51 1ikn s ASP 103 CO -0.01 -2.19 0.13 -0.76 1.18 0.00 0.00 175.17 173.52 1ikn s LEU 104 N -6.01 3.76 -0.00 1.23 1.43 0.31 -4.75 118.68 114.66 1ikn s LEU 104 Ca 0.62 -0.18 -0.36 0.00 -1.03 0.00 0.00 54.13 53.18 1ikn s LEU 104 Cb -0.18 -2.01 -0.15 0.00 0.03 0.00 0.00 46.19 43.89 1ikn s LEU 104 CO 0.56 -0.07 1.59 0.00 0.23 0.00 0.00 176.35 178.67 1ikn h PRO 106 N 6.38 0.00 0.00 0.00 0.11 -1.95 -3.35 132.00 133.18 1ikn h PRO 106 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ikn h PRO 106 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1ikn h PRO 106 CO 0.88 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.42 1ikn n ASP 107 N -2.50 0.70 -4.06 -2.05 9.92 -1.26 -3.56 116.55 113.73 1ikn n ASP 107 Ca 0.04 0.57 -0.09 0.00 -0.53 0.00 0.00 54.79 54.78 1ikn n ASP 107 Cb 0.41 -0.75 -0.10 0.00 -0.64 0.00 0.00 41.12 40.03 1ikn n ASP 107 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ikn s ARG 108 N -3.09 0.52 0.00 -1.24 1.70 -1.26 -5.06 118.95 110.53 1ikn s ARG 108 Ca 0.11 -0.98 0.24 0.00 -0.47 0.00 0.00 55.73 54.63 1ikn s ARG 108 Cb 0.13 0.09 0.27 0.00 -0.57 0.00 0.00 34.95 34.88 1ikn s ARG 108 CO 0.59 -0.07 1.29 -1.13 -1.08 0.00 0.00 175.30 174.90 1ikn n SER 109 N 0.72 2.56 -4.41 -2.89 3.41 -1.26 -4.81 113.62 106.95 1ikn n SER 109 Ca -0.18 -1.81 -0.35 0.00 -0.26 0.00 0.00 58.87 56.28 1ikn n SER 109 Cb 0.58 0.10 -0.13 0.00 -0.26 0.00 0.00 64.21 64.50 1ikn n SER 109 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ikn s ILE 110 N -2.11 3.71 -0.25 -1.33 1.09 -1.26 -0.86 121.20 120.18 1ikn s ILE 110 Ca 0.27 -0.40 0.02 0.00 -1.10 0.00 0.00 60.65 59.44 1ikn s ILE 110 Cb 0.20 -2.66 0.06 0.00 -1.06 0.00 0.00 42.46 39.00 1ikn s ILE 110 CO 0.37 0.44 -0.06 -1.00 -0.10 0.00 0.00 174.94 174.59 1ikn s HIS 111 N 1.00 2.73 0.02 3.97 3.76 0.88 -4.97 115.29 122.68 1ikn s HIS 111 Ca 0.01 -2.02 -0.01 0.00 -0.15 0.00 0.00 55.06 52.89 1ikn s HIS 111 Cb -0.15 -1.79 -0.04 0.00 1.11 0.00 0.00 32.58 31.71 1ikn s HIS 111 CO 0.01 -0.82 0.18 0.45 -0.85 0.00 0.00 174.74 173.71 1ikn s SER 112 N 1.28 6.28 -0.43 1.40 0.15 -1.26 -1.35 113.70 119.76 1ikn s SER 112 Ca -0.05 0.28 -0.01 0.00 0.70 0.00 0.00 55.95 56.88 1ikn s SER 112 Cb -0.19 -1.93 0.12 0.00 -1.71 0.00 0.00 66.02 62.30 1ikn s SER 112 CO -0.07 0.22 0.20 -0.36 1.20 0.00 0.00 173.24 174.44 1ikn s PHE 113 N -1.40 3.58 -1.72 3.44 0.40 -0.69 -4.94 117.98 116.65 1ikn s PHE 113 Ca 0.30 -2.68 0.22 0.00 -0.60 0.00 0.00 56.93 54.18 1ikn s PHE 113 Cb -0.13 -3.11 1.22 0.00 0.51 0.00 0.00 43.02 41.51 1ikn s PHE 113 CO 0.22 -0.93 1.70 1.04 0.70 0.00 0.00 175.22 177.96 1ikn n GLN 114 N 4.22 0.51 -3.69 0.44 3.00 -1.26 -4.09 117.38 116.50 1ikn n GLN 114 Ca 0.01 0.04 -0.14 0.00 -0.01 0.00 0.00 57.00 56.91 1ikn n GLN 114 Cb 0.40 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 29.01 1ikn n GLN 114 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1ikn s ASN 115 N -2.28 0.19 -0.29 1.08 3.84 -1.26 -4.84 114.94 111.38 1ikn s ASN 115 Ca 0.27 0.52 -0.16 0.00 0.21 0.00 0.00 52.86 53.71 1ikn s ASN 115 Cb 0.15 0.53 0.16 0.00 -0.55 0.00 0.00 41.25 41.54 1ikn s ASN 115 CO 0.29 -0.21 1.02 -0.76 -2.79 0.00 0.00 177.10 174.65 1ikn s LEU 116 N 1.98 -0.45 -0.05 3.21 1.43 -1.26 -4.76 118.68 118.77 1ikn s LEU 116 Ca -0.02 0.70 0.02 0.00 -1.03 0.00 0.00 54.13 53.80 1ikn s LEU 116 Cb -0.11 1.63 0.01 0.00 0.03 0.00 0.00 46.19 47.75 1ikn s LEU 116 CO -0.08 -0.11 -0.10 -0.83 0.23 0.00 0.00 176.35 175.46 1ikn s GLY 117 N 1.47 0.68 -0.49 -3.19 0.00 -0.12 -0.37 107.32 105.30 1ikn s GLY 117 Ca -0.08 -0.35 -0.24 0.00 0.00 0.00 0.00 44.72 44.05 1ikn s GLY 117 CO -0.15 0.09 0.88 -0.42 0.00 0.00 0.00 173.10 173.51 1ikn s ILE 118 N 0.54 4.50 -0.31 0.90 -1.09 -1.26 0.11 121.20 124.59 1ikn s ILE 118 Ca -0.10 0.47 -0.13 0.00 -2.23 0.00 0.00 60.65 58.65 1ikn s ILE 118 Cb -0.13 -4.44 -0.03 0.00 -1.58 0.00 0.00 42.46 36.28 1ikn s ILE 118 CO 0.02 -0.90 0.29 -1.58 -1.23 0.00 0.00 174.94 171.54 1ikn s GLN 119 N 3.67 3.76 0.34 2.79 0.74 -1.01 -3.29 119.66 126.66 1ikn s GLN 119 Ca 0.32 -0.33 -0.17 0.00 0.05 0.00 0.00 55.36 55.23 1ikn s GLN 119 Cb -0.12 -3.73 -0.09 0.00 1.10 0.00 0.00 33.01 30.17 1ikn s GLN 119 CO 0.23 -0.35 0.79 0.00 -0.55 0.00 0.00 175.29 175.40 1ikn s VAL 121 N -1.99 4.78 -0.19 0.00 0.11 -1.26 -4.41 120.40 117.44 1ikn s VAL 121 Ca 0.55 -0.57 -0.22 0.00 -2.93 0.00 0.00 61.98 58.81 1ikn s VAL 121 Cb -0.10 -3.27 -0.02 0.00 -1.53 0.00 0.00 36.38 31.45 1ikn s VAL 121 CO 0.17 0.20 0.68 -0.54 -3.33 0.00 0.00 175.10 172.27 1ikn s LYS 122 N -2.20 4.23 0.55 1.54 3.01 -1.26 -4.90 119.74 120.70 1ikn s LYS 122 Ca 0.28 0.71 0.50 0.00 -1.01 0.00 0.00 55.97 56.46 1ikn s LYS 122 Cb -0.12 -3.58 1.72 0.00 -1.01 0.00 0.00 37.83 34.84 1ikn s LYS 122 CO 0.21 -0.26 1.54 1.17 0.51 0.00 0.00 175.35 178.52 1ikn n LYS 123 N 5.08 -0.00 0.29 1.68 3.00 -1.26 0.23 118.16 127.18 1ikn n LYS 123 Ca -0.00 1.07 0.18 0.00 -0.00 0.00 0.00 58.31 59.56 1ikn n LYS 123 Cb 0.49 -2.47 0.82 0.00 0.00 0.00 0.00 35.03 33.87 1ikn n LYS 123 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 1ikn h ARG 124 N 0.00 0.00 0.00 1.64 1.12 -2.06 -2.78 114.38 112.30 1ikn h ARG 124 Ca 0.93 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.80 1ikn h ARG 124 Cb 3.75 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 33.71 1ikn h ARG 124 CO -0.01 0.02 -0.05 -0.25 -3.11 0.00 0.00 179.97 176.56 1ikn n ASP 125 N -3.14 1.63 0.23 -3.80 9.92 0.63 -4.68 116.55 117.34 1ikn n ASP 125 Ca -0.01 -2.23 0.09 0.00 -0.53 0.00 0.00 54.79 52.11 1ikn n ASP 125 Cb 0.24 -0.17 0.53 0.00 -0.64 0.00 0.00 41.12 41.09 1ikn n ASP 125 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1ikn h LEU 126 N 0.00 0.00 -0.69 0.64 6.46 -1.03 -1.35 115.31 119.34 1ikn h LEU 126 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1ikn h LEU 126 Cb 0.83 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.76 1ikn h LEU 126 CO 0.00 0.24 0.00 -0.08 -0.62 0.00 0.00 178.44 177.98 1ikn h GLU 127 N 0.00 0.00 0.04 1.25 4.81 -1.84 -2.42 114.58 116.42 1ikn h GLU 127 Ca -0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 1ikn h GLU 127 Cb 0.56 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 1ikn h GLU 127 CO 0.03 0.00 -1.40 0.37 -0.73 0.00 0.00 179.01 177.28 1ikn h GLN 128 N 0.00 0.08 -0.39 1.92 4.15 -1.61 -3.22 115.11 116.04 1ikn h GLN 128 Ca 0.00 -0.14 0.08 0.00 0.77 0.00 0.00 58.65 59.36 1ikn h GLN 128 Cb 0.53 0.05 -0.07 0.00 0.21 0.00 0.00 27.48 28.20 1ikn h GLN 128 CO 0.00 1.07 -0.10 0.00 -1.93 0.00 0.00 178.83 177.86 1ikn h ALA 129 N -0.31 0.25 0.00 3.38 0.00 -1.30 0.93 119.26 122.21 1ikn h ALA 129 Ca -0.35 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1ikn h ALA 129 Cb 1.50 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 1ikn h ALA 129 CO -0.11 -0.46 -0.21 -0.84 0.00 0.00 0.00 179.25 177.63 1ikn h ILE 130 N -0.01 0.99 0.39 0.00 -0.00 -1.62 -1.63 117.51 115.63 1ikn h ILE 130 Ca 0.19 -0.76 -0.01 0.00 -0.00 0.00 0.00 64.86 64.27 1ikn h ILE 130 Cb 0.29 1.43 -0.00 0.00 -0.00 0.00 0.00 36.82 38.54 1ikn h ILE 130 CO -0.41 0.21 -0.22 -1.28 -0.00 0.00 0.00 178.15 176.45 1ikn h SER 131 N 0.00 -0.55 -0.86 2.16 0.87 -0.86 -2.63 113.55 111.68 1ikn h SER 131 Ca -0.00 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 1ikn h SER 131 Cb 0.41 0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.49 1ikn h SER 131 CO 0.03 -0.36 0.56 1.56 -0.53 0.00 0.00 176.83 178.08 1ikn h GLN 132 N -0.58 1.09 -0.48 2.24 1.08 -0.90 -1.04 115.11 116.52 1ikn h GLN 132 Ca -0.04 -0.07 0.07 0.00 -1.45 0.00 0.00 58.65 57.16 1ikn h GLN 132 Cb 0.47 -0.25 -0.09 0.00 -0.05 0.00 0.00 27.48 27.56 1ikn h GLN 132 CO 0.05 0.72 -0.49 0.00 -0.95 0.00 0.00 178.83 178.16 1ikn h ARG 133 N 1.12 -0.31 0.00 1.46 2.47 -0.94 0.42 114.38 118.60 1ikn h ARG 133 Ca 0.33 0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 59.04 1ikn h ARG 133 Cb -0.07 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1ikn h ARG 133 CO -0.09 -0.20 -0.12 -0.84 0.56 0.00 0.00 179.97 179.27 1ikn h ILE 134 N -0.32 0.25 0.62 2.04 3.07 -1.39 0.76 117.51 122.55 1ikn h ILE 134 Ca 0.12 -1.02 -0.03 0.00 1.55 0.00 0.00 64.86 65.48 1ikn h ILE 134 Cb 0.58 1.83 -0.01 0.00 -0.27 0.00 0.00 36.82 38.95 1ikn h ILE 134 CO -0.63 0.12 -0.41 1.56 -1.05 0.00 0.00 178.15 177.74 1ikn h GLN 135 N 0.00 -0.94 -0.87 0.16 1.08 0.10 -0.31 115.11 114.34 1ikn h GLN 135 Ca -0.00 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1ikn h GLN 135 Cb 0.82 0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 1ikn h GLN 135 CO 0.02 -0.63 0.00 -2.37 -0.95 0.00 0.00 178.83 174.90 1ikn n THR 136 N -4.99 0.35 -3.84 -0.54 5.66 0.72 -4.87 114.28 106.78 1ikn n THR 136 Ca -0.12 -0.18 -0.26 0.00 -3.05 0.00 0.00 64.05 60.44 1ikn n THR 136 Cb 0.41 -0.42 -0.03 0.00 -1.55 0.00 0.00 70.33 68.74 1ikn n THR 136 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1ikn n ASN 137 N 0.06 -0.80 -4.42 1.09 5.15 -0.13 -4.81 115.26 111.40 1ikn n ASN 137 Ca 0.04 -0.88 -0.45 0.00 -0.60 0.00 0.00 54.58 52.69 1ikn n ASN 137 Cb 0.35 -1.07 -0.02 0.00 -0.53 0.00 0.00 39.78 38.51 1ikn n ASN 137 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1ikn s ASN 138 N -3.97 6.76 -0.41 1.20 2.47 0.25 -4.85 114.94 116.40 1ikn s ASN 138 Ca 0.14 -2.42 0.04 0.00 0.42 0.00 0.00 52.86 51.04 1ikn s ASN 138 Cb -0.08 -2.34 0.17 0.00 -1.45 0.00 0.00 41.25 37.54 1ikn s ASN 138 CO 0.67 -0.86 0.40 0.21 -3.72 0.00 0.00 177.10 173.80 1ikn s ASN 139 N 3.04 1.05 0.29 -4.21 3.04 -1.26 -4.59 114.94 112.31 1ikn s ASN 139 Ca 0.31 -2.31 -0.03 0.00 0.04 0.00 0.00 52.86 50.87 1ikn s ASN 139 Cb -0.06 0.25 0.61 0.00 -1.54 0.00 0.00 41.25 40.51 1ikn s ASN 139 CO -0.08 -0.19 1.57 -0.65 -3.04 0.00 0.00 177.10 174.71 1ikn h PRO 140 N 6.11 0.00 -0.65 0.43 0.11 -1.90 0.54 132.00 136.66 1ikn h PRO 140 Ca 0.15 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1ikn h PRO 140 Cb 0.99 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1ikn h PRO 140 CO 0.25 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.23 1ikn n PHE 141 N -5.55 1.24 -1.20 0.65 3.01 -1.26 -4.98 117.46 109.37 1ikn n PHE 141 Ca 0.20 -0.51 -0.01 0.00 1.01 0.00 0.00 57.45 58.14 1ikn n PHE 141 Cb 0.63 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 1ikn n PHE 141 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 1ikn n HIS 142 N 1.10 -0.04 -4.05 1.38 1.44 0.19 -4.95 115.22 110.29 1ikn n HIS 142 Ca 0.23 0.02 -0.26 0.00 -2.01 0.00 0.00 57.72 55.69 1ikn n HIS 142 Cb 0.75 -0.26 -0.05 0.00 0.12 0.00 0.00 29.99 30.55 1ikn n HIS 142 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 1ikn s VAL 143 N -0.26 4.68 0.84 0.61 -7.23 -1.26 -5.11 120.40 112.68 1ikn s VAL 143 Ca 0.01 -0.99 -0.11 0.00 -1.81 0.00 0.00 61.98 59.08 1ikn s VAL 143 Cb -0.00 -3.40 0.10 0.00 0.56 0.00 0.00 36.38 33.64 1ikn s VAL 143 CO 0.01 -0.10 1.09 -2.16 -0.31 0.00 0.00 175.10 173.63 1ikn s PRO 144 N -3.13 1.69 0.00 4.82 0.04 -1.26 -4.87 135.00 132.28 1ikn s PRO 144 Ca 0.32 0.93 0.09 0.00 0.04 0.00 0.00 61.00 62.38 1ikn s PRO 144 Cb -0.10 -1.85 0.44 0.00 0.04 0.00 0.00 34.50 33.03 1ikn s PRO 144 CO 0.25 -1.97 1.18 -0.89 0.04 0.00 0.00 177.00 175.60 1ikn n ILE 145 N -3.71 0.87 0.79 0.56 2.08 -1.26 -0.30 119.36 118.38 1ikn n ILE 145 Ca 0.08 0.22 0.10 0.00 0.56 0.00 0.00 62.75 63.70 1ikn n ILE 145 Cb 0.54 -1.07 -0.13 0.00 -0.75 0.00 0.00 39.64 38.24 1ikn n ILE 145 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 1ikn n GLU 146 N -1.31 0.28 -0.99 0.38 4.07 -1.26 -3.92 120.64 117.88 1ikn n GLU 146 Ca 0.04 -0.04 -0.02 0.00 -0.06 0.00 0.00 57.16 57.08 1ikn n GLU 146 Cb 0.08 -1.48 0.34 0.00 -0.06 0.00 0.00 31.44 30.32 1ikn n GLU 146 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1ikn n GLU 147 N -1.63 4.13 -2.60 5.31 -0.58 0.58 -4.35 120.64 121.51 1ikn n GLU 147 Ca 0.02 -3.13 -0.21 0.00 -0.42 0.00 0.00 57.16 53.43 1ikn n GLU 147 Cb 0.36 -2.24 0.01 0.00 -0.57 0.00 0.00 31.44 29.00 1ikn n GLU 147 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1ikn n GLN 148 N 0.09 2.58 -0.43 3.49 6.02 -1.19 -4.80 117.38 123.14 1ikn n GLN 148 Ca 0.37 -4.08 -0.08 0.00 -0.01 0.00 0.00 57.00 53.20 1ikn n GLN 148 Cb 1.34 -1.90 0.08 0.00 1.02 0.00 0.00 30.24 30.78 1ikn n GLN 148 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ikn n ARG 149 N -0.30 -0.24 0.00 -1.09 1.74 -1.26 -4.90 116.66 110.60 1ikn n ARG 149 Ca 0.28 -0.40 0.13 0.00 -0.77 0.00 0.00 57.85 57.08 1ikn n ARG 149 Cb 0.69 -1.02 0.29 0.00 -1.02 0.00 0.00 32.46 31.41 1ikn n ARG 149 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ikn n GLY 150 N -0.14 -0.08 3.50 -0.13 0.00 -1.26 -4.80 105.19 102.28 1ikn n GLY 150 Ca 0.04 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1ikn n GLY 150 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ikn s ASP 151 N -2.29 6.18 -0.36 1.61 -4.77 -1.26 -4.98 116.67 110.79 1ikn s ASP 151 Ca 0.27 -0.73 -0.04 0.00 -3.30 0.00 0.00 52.55 48.75 1ikn s ASP 151 Cb 0.20 -2.48 0.07 0.00 -1.09 0.00 0.00 42.92 39.62 1ikn s ASP 151 CO 0.45 -1.59 0.11 -0.31 0.70 0.00 0.00 175.17 174.54 1ikn s TYR 152 N 4.73 3.39 -0.88 2.11 1.51 -1.26 -5.02 117.35 121.93 1ikn s TYR 152 Ca 0.28 -1.97 -0.25 0.00 -1.01 0.00 0.00 57.07 54.12 1ikn s TYR 152 Cb -0.13 -2.62 -0.07 0.00 -0.11 0.00 0.00 41.96 39.03 1ikn s TYR 152 CO 0.13 -0.86 2.07 0.34 -1.11 0.00 0.00 175.55 176.12 1ikn s ASP 153 N 1.55 4.80 0.00 2.29 2.15 -1.26 -4.71 116.67 121.50 1ikn s ASP 153 Ca 0.01 -0.50 0.21 0.00 0.43 0.00 0.00 52.55 52.70 1ikn s ASP 153 Cb -0.21 -2.56 1.23 0.00 -0.30 0.00 0.00 42.92 41.09 1ikn s ASP 153 CO -0.01 -3.06 1.64 0.18 -0.17 0.00 0.00 175.17 173.74 1ikn n LEU 154 N 15.26 0.00 0.16 -1.34 4.77 -1.26 -2.82 117.00 131.76 1ikn n LEU 154 Ca 0.42 0.03 0.03 0.00 -0.03 0.00 0.00 56.01 56.46 1ikn n LEU 154 Cb 0.46 -0.03 0.20 0.00 -2.33 0.00 0.00 43.42 41.72 1ikn n LEU 154 CO 0.58 -0.01 0.56 0.78 -1.33 0.00 0.00 177.39 177.97 1ikn h ASN 155 N 0.00 0.00 -5.48 -1.43 4.21 -1.98 -3.47 115.58 107.42 1ikn h ASN 155 Ca 0.00 0.00 -0.44 0.00 1.21 0.00 0.00 56.30 57.07 1ikn h ASN 155 Cb 0.02 0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 37.08 1ikn h ASN 155 CO 0.00 0.49 -0.52 0.00 -1.29 0.00 0.00 177.43 176.12 1ikn s ALA 156 N -3.38 1.89 0.08 -0.83 0.00 -1.13 -3.03 121.76 115.36 1ikn s ALA 156 Ca 0.01 -1.91 -0.26 0.00 0.00 0.00 0.00 51.96 49.80 1ikn s ALA 156 Cb 0.10 1.37 0.08 0.00 0.00 0.00 0.00 23.12 24.67 1ikn s ALA 156 CO 0.72 -0.61 0.82 0.54 0.00 0.00 0.00 175.76 177.23 1ikn s VAL 157 N -3.53 0.00 -0.02 0.00 0.11 -0.99 -4.76 120.40 111.21 1ikn s VAL 157 Ca 0.38 -0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.27 1ikn s VAL 157 Cb 0.03 -1.23 0.01 0.00 -1.53 0.00 0.00 36.38 33.67 1ikn s VAL 157 CO 0.23 0.00 -0.01 -0.13 -3.33 0.00 0.00 175.10 171.87 1ikn s ARG 158 N -3.35 0.20 0.32 1.54 0.52 0.11 -0.30 118.95 117.99 1ikn s ARG 158 Ca 0.06 0.02 -0.27 0.00 -0.52 0.00 0.00 55.73 55.02 1ikn s ARG 158 Cb -0.01 -0.31 -0.10 0.00 0.52 0.00 0.00 34.95 35.05 1ikn s ARG 158 CO -0.07 -0.06 0.98 -0.51 0.02 0.00 0.00 175.30 175.66 1ikn s LEU 159 N 0.54 4.38 -0.10 2.53 1.43 -1.26 -1.12 118.68 125.07 1ikn s LEU 159 Ca -0.05 1.93 0.03 0.00 -1.03 0.00 0.00 54.13 55.02 1ikn s LEU 159 Cb -0.08 -3.94 0.00 0.00 0.03 0.00 0.00 46.19 42.21 1ikn s LEU 159 CO -0.01 -0.11 -0.22 0.00 0.23 0.00 0.00 176.35 176.24 1ikn s PHE 161 N 0.51 3.32 -0.65 0.00 0.08 -0.72 -2.00 117.98 118.52 1ikn s PHE 161 Ca -0.16 -1.49 -0.16 0.00 0.12 0.00 0.00 56.93 55.24 1ikn s PHE 161 Cb -0.17 -3.59 0.15 0.00 -0.57 0.00 0.00 43.02 38.84 1ikn s PHE 161 CO 0.06 -0.98 0.65 -0.65 -0.10 0.00 0.00 175.22 174.20 1ikn s GLN 162 N 1.51 3.19 -0.13 0.44 -1.52 0.38 -2.88 119.66 120.66 1ikn s GLN 162 Ca 0.04 -1.82 -0.11 0.00 -1.95 0.00 0.00 55.36 51.52 1ikn s GLN 162 Cb -0.28 -4.36 -0.05 0.00 -0.22 0.00 0.00 33.01 28.11 1ikn s GLN 162 CO 0.02 -1.39 0.24 0.08 -0.25 0.00 0.00 175.29 173.99 1ikn s VAL 163 N 1.54 5.33 -0.01 1.09 1.01 -1.26 -0.42 120.40 127.68 1ikn s VAL 163 Ca 0.10 0.45 0.07 0.00 0.00 0.00 0.00 61.98 62.61 1ikn s VAL 163 Cb -0.22 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1ikn s VAL 163 CO -0.00 0.49 -0.24 -0.89 0.00 0.00 0.00 175.10 174.47 1ikn s THR 164 N -0.22 1.86 0.00 3.92 2.01 -0.39 -0.19 115.64 122.63 1ikn s THR 164 Ca 0.16 -1.04 0.00 0.00 0.31 0.00 0.00 61.69 61.12 1ikn s THR 164 Cb -0.13 -1.55 0.00 0.00 0.01 0.00 0.00 72.50 70.83 1ikn s THR 164 CO 0.05 0.50 0.00 1.33 -0.69 0.00 0.00 174.62 175.80 1ikn n VAL 165 N 2.41 0.00 -4.00 3.82 0.24 0.18 -1.75 118.33 119.23 1ikn n VAL 165 Ca -0.16 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.81 1ikn n VAL 165 Cb 0.52 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.83 1ikn n VAL 165 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1ikn s ARG 166 N 0.09 3.26 0.59 7.34 1.81 -1.26 0.88 118.95 131.66 1ikn s ARG 166 Ca 0.00 -0.38 -0.17 0.00 -1.72 0.00 0.00 55.73 53.47 1ikn s ARG 166 Cb 0.00 -2.99 -0.03 0.00 -0.45 0.00 0.00 34.95 31.47 1ikn s ARG 166 CO 0.00 0.67 1.08 0.34 -0.68 0.00 0.00 175.30 176.72 1ikn s ASP 167 N -1.73 5.62 0.00 0.23 -1.08 0.40 -4.55 116.67 115.57 1ikn s ASP 167 Ca 0.24 1.94 0.00 0.00 -0.52 0.00 0.00 52.55 54.21 1ikn s ASP 167 Cb -0.12 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 1ikn s ASP 167 CO 0.15 -1.28 0.72 -2.65 0.52 0.00 0.00 175.17 172.63 1ikn n PRO 168 N -1.93 0.00 0.00 4.34 -0.02 -1.26 -3.45 135.00 132.69 1ikn n PRO 168 Ca 0.10 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1ikn n PRO 168 Cb 0.52 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 1ikn n PRO 168 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ikn n ALA 169 N -1.22 0.82 0.00 3.55 0.00 -1.26 -5.08 120.51 117.32 1ikn n ALA 169 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ikn n ALA 169 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1ikn n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ikn n GLY 170 N 4.44 0.00 3.72 0.00 0.00 -1.22 -5.11 105.19 107.02 1ikn n GLY 170 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1ikn n GLY 170 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ikn n ARG 171 N -0.20 2.59 -2.04 1.61 0.00 -1.26 -4.40 116.66 112.97 1ikn n ARG 171 Ca 0.00 0.93 -0.39 0.00 -0.00 0.00 0.00 57.85 58.39 1ikn n ARG 171 Cb 0.00 -2.71 -0.03 0.00 0.00 0.00 0.00 32.46 29.72 1ikn n ARG 171 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1ikn s PRO 172 N 0.08 2.70 -0.12 -0.14 0.04 -1.26 0.15 135.00 136.45 1ikn s PRO 172 Ca 0.69 0.69 -0.29 0.00 0.04 0.00 0.00 61.00 62.13 1ikn s PRO 172 Cb -0.53 -4.37 -0.03 0.00 0.04 0.00 0.00 34.50 29.61 1ikn s PRO 172 CO 0.43 -2.64 1.39 -1.17 0.04 0.00 0.00 177.00 175.06 1ikn s LEU 173 N 8.84 4.23 -0.35 -3.56 2.96 0.25 -4.80 118.68 126.25 1ikn s LEU 173 Ca 0.68 1.88 -0.16 0.00 -0.22 0.00 0.00 54.13 56.31 1ikn s LEU 173 Cb -0.14 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.01 1ikn s LEU 173 CO 0.22 -0.81 0.41 -0.22 -1.32 0.00 0.00 176.35 174.63 1ikn s LEU 174 N 3.62 4.47 0.67 -0.68 0.20 -1.26 0.48 118.68 126.18 1ikn s LEU 174 Ca 0.61 -0.24 -0.11 0.00 0.69 0.00 0.00 54.13 55.08 1ikn s LEU 174 Cb -0.26 -2.40 -0.01 0.00 -0.43 0.00 0.00 46.19 43.09 1ikn s LEU 174 CO 0.20 -0.40 1.05 -0.76 -0.29 0.00 0.00 176.35 176.15 1ikn s LEU 175 N 2.12 3.18 0.14 -0.68 1.02 0.73 -4.99 118.68 120.19 1ikn s LEU 175 Ca 0.13 1.56 -0.31 0.00 0.02 0.00 0.00 54.13 55.53 1ikn s LEU 175 Cb -0.16 -4.49 -0.10 0.00 0.02 0.00 0.00 46.19 41.46 1ikn s LEU 175 CO 0.12 -1.25 1.66 -0.89 0.02 0.00 0.00 176.35 176.01 1ikn s THR 176 N -3.07 2.64 0.07 5.49 2.01 -1.26 -4.41 115.64 117.11 1ikn s THR 176 Ca 0.57 0.33 -0.31 0.00 0.31 0.00 0.00 61.69 62.60 1ikn s THR 176 Cb -0.13 -3.21 -0.09 0.00 0.01 0.00 0.00 72.50 69.08 1ikn s THR 176 CO 0.54 0.01 1.79 -2.16 -0.69 0.00 0.00 174.62 174.12 1ikn s PRO 177 N 1.83 4.16 -0.19 4.92 0.04 -1.26 -4.77 135.00 139.73 1ikn s PRO 177 Ca 0.74 2.49 -0.07 0.00 0.04 0.00 0.00 61.00 64.19 1ikn s PRO 177 Cb -0.44 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.30 1ikn s PRO 177 CO 0.32 -0.84 0.05 0.08 0.04 0.00 0.00 177.00 176.65 1ikn s VAL 178 N 3.24 4.52 0.05 -0.36 1.01 -1.14 -4.88 120.40 122.85 1ikn s VAL 178 Ca 0.80 -0.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.51 1ikn s VAL 178 Cb -0.42 -3.05 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 1ikn s VAL 178 CO 0.36 0.44 0.47 -0.76 0.00 0.00 0.00 175.10 175.60 1ikn s LEU 179 N 0.66 4.45 0.62 3.92 1.02 -1.26 -1.76 118.68 126.33 1ikn s LEU 179 Ca 0.02 1.03 -0.01 0.00 0.02 0.00 0.00 54.13 55.19 1ikn s LEU 179 Cb -0.13 -2.83 0.06 0.00 0.02 0.00 0.00 46.19 43.30 1ikn s LEU 179 CO 0.02 0.25 0.88 -0.94 0.02 0.00 0.00 176.35 176.58 1ikn s SER 180 N -1.29 4.97 0.34 2.29 1.04 -0.85 -5.01 113.70 115.20 1ikn s SER 180 Ca 0.29 0.02 -0.28 0.00 0.48 0.00 0.00 55.95 56.46 1ikn s SER 180 Cb -0.17 -0.75 -0.10 0.00 0.10 0.00 0.00 66.02 65.11 1ikn s SER 180 CO 0.16 -1.40 1.29 -1.00 0.98 0.00 0.00 173.24 173.27 1ikn s HIS 181 N -2.95 3.04 0.53 5.02 3.76 -1.26 -4.64 115.29 118.79 1ikn s HIS 181 Ca 0.60 1.44 -0.21 0.00 -0.15 0.00 0.00 55.06 56.74 1ikn s HIS 181 Cb -0.09 -3.64 -0.07 0.00 1.11 0.00 0.00 32.58 29.88 1ikn s HIS 181 CO 0.41 -1.80 0.97 -0.35 -0.85 0.00 0.00 174.74 173.12 1ikn n PRO 182 N 0.67 1.08 -4.84 8.40 -0.04 -1.26 -4.73 135.00 134.28 1ikn n PRO 182 Ca 0.01 0.41 -0.33 0.00 -0.04 0.00 0.00 63.50 63.54 1ikn n PRO 182 Cb 0.42 -2.12 -0.13 0.00 -0.04 0.00 0.00 33.50 31.63 1ikn n PRO 182 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1ikn s ILE 183 N -1.44 3.10 0.42 0.52 -4.36 0.59 -4.67 121.20 115.36 1ikn s ILE 183 Ca 0.70 -0.69 0.08 0.00 -0.26 0.00 0.00 60.65 60.48 1ikn s ILE 183 Cb -0.46 -2.24 -0.01 0.00 1.25 0.00 0.00 42.46 40.99 1ikn s ILE 183 CO 0.51 0.57 0.42 -0.36 0.24 0.00 0.00 174.94 176.32 1ikn s PHE 184 N -0.43 2.66 0.13 1.37 0.40 0.29 -2.36 117.98 120.05 1ikn s PHE 184 Ca 0.05 -0.50 0.01 0.00 -0.60 0.00 0.00 56.93 55.90 1ikn s PHE 184 Cb -0.12 -2.20 0.02 0.00 0.51 0.00 0.00 43.02 41.24 1ikn s PHE 184 CO 0.02 -0.20 0.18 -3.47 0.70 0.00 0.00 175.22 172.45 1ikn n ASP 185 N -1.61 0.39 -4.65 1.36 -0.08 -1.17 -4.25 116.55 106.53 1ikn n ASP 185 Ca 0.04 -1.29 -0.43 0.00 -1.51 0.00 0.00 54.79 51.60 1ikn n ASP 185 Cb 0.61 -0.10 -0.02 0.00 2.34 0.00 0.00 41.12 43.95 1ikn n ASP 185 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 1ikn s ASN 186 N -1.78 6.99 -0.10 1.67 0.02 -1.25 -4.63 114.94 115.87 1ikn s ASN 186 Ca 0.13 1.38 -0.07 0.00 -1.02 0.00 0.00 52.86 53.28 1ikn s ASN 186 Cb -0.01 -2.54 -0.27 0.00 0.02 0.00 0.00 41.25 38.45 1ikn s ASN 186 CO 0.08 -0.77 0.46 -0.09 0.02 0.00 0.00 177.10 176.80 1ikn h ARG 187 N 7.93 0.29 0.00 -0.60 9.65 -1.96 -3.51 114.38 126.18 1ikn h ARG 187 Ca -0.22 -0.49 0.00 0.00 -1.10 0.00 0.00 59.98 58.17 1ikn h ARG 187 Cb 1.07 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 1ikn h ARG 187 CO 0.99 1.21 0.00 0.00 2.80 0.00 0.00 179.97 184.97 1ikn n ALA 188 N -2.94 0.00 0.00 2.80 0.00 -1.26 -5.06 120.51 114.05 1ikn n ALA 188 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1ikn n ALA 188 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.50 1ikn n ALA 188 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1ikn n THR 191 N 0.00 0.00 -1.21 0.00 5.66 -1.26 -5.23 114.28 112.23 1ikn n THR 191 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1ikn n THR 191 Cb 0.00 0.00 0.10 0.00 -1.55 0.00 0.00 70.33 68.88 1ikn n THR 191 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ikn s ALA 192 N 0.00 2.08 -0.47 1.79 0.00 -1.26 -4.99 121.76 118.91 1ikn s ALA 192 Ca 0.00 0.23 -0.13 0.00 0.00 0.00 0.00 51.96 52.06 1ikn s ALA 192 Cb 0.00 -3.27 0.09 0.00 0.00 0.00 0.00 23.12 19.94 1ikn s ALA 192 CO 0.00 -1.93 0.38 -2.00 0.00 0.00 0.00 175.76 172.21 1ikn s GLU 193 N -4.89 2.82 0.09 0.00 2.12 -1.26 -5.04 118.70 112.53 1ikn s GLU 193 Ca 0.62 -1.52 -0.31 0.00 0.36 0.00 0.00 54.97 54.12 1ikn s GLU 193 Cb -0.18 -4.05 -0.10 0.00 0.26 0.00 0.00 34.13 30.07 1ikn s GLU 193 CO 0.56 -1.10 1.86 -0.51 -0.54 0.00 0.00 175.26 175.53 1ikn s LEU 194 N 1.54 4.41 -0.03 2.70 1.02 -1.26 -4.87 118.68 122.19 1ikn s LEU 194 Ca 0.04 2.70 -0.01 0.00 0.02 0.00 0.00 54.13 56.88 1ikn s LEU 194 Cb -0.26 -3.55 0.03 0.00 0.02 0.00 0.00 46.19 42.43 1ikn s LEU 194 CO 0.04 -1.01 0.04 -0.75 0.02 0.00 0.00 176.35 174.68 1ikn s LYS 195 N 3.35 -0.01 -0.22 1.70 2.20 -1.26 -4.34 119.74 121.16 1ikn s LYS 195 Ca 0.83 0.24 -0.16 0.00 -0.36 0.00 0.00 55.97 56.51 1ikn s LYS 195 Cb -0.44 -0.37 -0.04 0.00 -1.51 0.00 0.00 37.83 35.47 1ikn s LYS 195 CO 0.38 -0.22 0.42 0.42 -0.36 0.00 0.00 175.35 175.98 1ikn s ILE 196 N 1.44 5.17 -0.23 5.43 1.01 -1.26 -2.69 121.20 130.07 1ikn s ILE 196 Ca -0.04 0.72 -0.19 0.00 0.00 0.00 0.00 60.65 61.14 1ikn s ILE 196 Cb -0.13 -3.74 -0.17 0.00 0.01 0.00 0.00 42.46 38.43 1ikn s ILE 196 CO -0.03 0.21 0.01 0.00 0.00 0.00 0.00 174.94 175.14 1ikn s ARG 198 N -2.42 0.59 -0.13 0.00 0.52 -0.98 -4.99 118.95 111.54 1ikn s ARG 198 Ca -0.32 -0.67 -0.04 0.00 -0.52 0.00 0.00 55.73 54.17 1ikn s ARG 198 Cb 0.09 0.23 0.06 0.00 0.52 0.00 0.00 34.95 35.86 1ikn s ARG 198 CO 0.56 -0.15 0.19 0.08 0.02 0.00 0.00 175.30 176.00 1ikn s VAL 199 N -2.39 -0.30 -1.00 3.52 1.01 -1.26 -0.36 120.40 119.62 1ikn s VAL 199 Ca -0.07 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.19 1ikn s VAL 199 Cb -0.02 -0.43 0.07 0.00 0.00 0.00 0.00 36.38 35.99 1ikn s VAL 199 CO -0.03 0.03 1.26 -0.46 0.00 0.00 0.00 175.10 175.90 1ikn n ASN 200 N 5.33 0.00 -3.67 3.32 6.94 -0.87 -4.61 115.26 121.69 1ikn n ASN 200 Ca -0.05 0.50 -0.08 0.00 -0.02 0.00 0.00 54.58 54.92 1ikn n ASN 200 Cb 0.50 -0.50 -0.09 0.00 -2.36 0.00 0.00 39.78 37.33 1ikn n ASN 200 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1ikn s ARG 201 N -3.00 0.49 -0.15 -3.83 3.52 -1.26 -4.99 118.95 109.72 1ikn s ARG 201 Ca 0.04 1.01 0.15 0.00 -0.13 0.00 0.00 55.73 56.79 1ikn s ARG 201 Cb 0.05 0.14 0.41 0.00 -1.56 0.00 0.00 34.95 33.99 1ikn s ARG 201 CO 0.15 -0.17 1.20 0.27 -0.81 0.00 0.00 175.30 175.94 1ikn n ASN 202 N 4.53 1.56 -3.64 -2.12 2.04 -1.26 -4.97 115.26 111.41 1ikn n ASN 202 Ca -0.19 -3.40 -0.14 0.00 -0.44 0.00 0.00 54.58 50.40 1ikn n ASN 202 Cb 0.55 -0.47 -0.07 0.00 -2.53 0.00 0.00 39.78 37.26 1ikn n ASN 202 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 1ikn s SER 203 N -2.90 -0.70 0.08 0.53 0.15 -1.26 -1.77 113.70 107.84 1ikn s SER 203 Ca 0.36 1.30 -0.27 0.00 0.70 0.00 0.00 55.95 58.05 1ikn s SER 203 Cb 0.36 1.31 0.09 0.00 -1.71 0.00 0.00 66.02 66.07 1ikn s SER 203 CO -0.09 -0.27 1.11 -0.83 1.20 0.00 0.00 173.24 174.37 1ikn s GLY 204 N 0.22 -0.25 0.60 9.45 0.00 -1.19 -4.99 107.32 111.16 1ikn s GLY 204 Ca -0.01 0.27 -0.20 0.00 0.00 0.00 0.00 44.72 44.78 1ikn s GLY 204 CO 0.02 0.71 1.22 -1.26 0.00 0.00 0.00 173.10 173.79 1ikn n SER 205 N -0.62 1.92 0.14 1.64 2.88 -1.26 -1.67 113.62 116.65 1ikn n SER 205 Ca -0.06 0.88 0.13 0.00 -1.33 0.00 0.00 58.87 58.49 1ikn n SER 205 Cb 0.61 -1.52 0.48 0.00 -0.75 0.00 0.00 64.21 63.04 1ikn n SER 205 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ikn n LEU 207 N -2.37 0.60 0.00 0.00 4.77 -1.26 -1.77 117.00 116.97 1ikn n LEU 207 Ca 0.03 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1ikn n LEU 207 Cb 0.30 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1ikn n LEU 207 CO 0.24 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1ikn n GLY 208 N 0.98 -0.93 0.99 -0.72 0.00 -0.72 -4.54 105.19 100.26 1ikn n GLY 208 Ca 0.18 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1ikn n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ikn n GLY 209 N 0.00 0.76 3.72 -0.02 0.00 0.71 -4.83 105.19 105.55 1ikn n GLY 209 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1ikn n GLY 209 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ikn s ASP 210 N -2.24 7.07 0.14 1.61 1.01 -1.26 -4.73 116.67 118.27 1ikn s ASP 210 Ca 0.00 1.29 -0.29 0.00 0.71 0.00 0.00 52.55 54.25 1ikn s ASP 210 Cb 0.00 -2.44 -0.07 0.00 1.01 0.00 0.00 42.92 41.43 1ikn s ASP 210 CO 0.00 -0.09 0.94 -0.70 0.21 0.00 0.00 175.17 175.53 1ikn s GLU 211 N 0.57 4.72 -0.03 8.23 2.12 -1.26 -0.29 118.70 132.76 1ikn s GLU 211 Ca 0.39 1.42 0.01 0.00 0.36 0.00 0.00 54.97 57.15 1ikn s GLU 211 Cb -0.19 -3.35 0.03 0.00 0.26 0.00 0.00 34.13 30.88 1ikn s GLU 211 CO 0.20 0.30 -0.01 0.42 -0.54 0.00 0.00 175.26 175.63 1ikn s ILE 212 N -0.32 0.26 -0.17 -3.70 1.01 0.11 -4.94 121.20 113.44 1ikn s ILE 212 Ca 0.45 0.04 -0.14 0.00 0.00 0.00 0.00 60.65 60.99 1ikn s ILE 212 Cb -0.24 -0.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 1ikn s ILE 212 CO 0.30 0.16 0.32 -0.36 0.00 0.00 0.00 174.94 175.36 1ikn s PHE 213 N 1.01 3.43 -0.09 3.97 0.40 -1.26 -2.11 117.98 123.32 1ikn s PHE 213 Ca -0.10 0.59 0.02 0.00 -0.60 0.00 0.00 56.93 56.84 1ikn s PHE 213 Cb -0.14 -2.39 0.01 0.00 0.51 0.00 0.00 43.02 41.02 1ikn s PHE 213 CO -0.01 0.17 -0.14 -1.17 0.70 0.00 0.00 175.22 174.77 1ikn s LEU 214 N 0.71 1.65 -0.17 -0.37 0.20 -0.05 -2.05 118.68 118.60 1ikn s LEU 214 Ca 0.17 -0.37 -0.07 0.00 0.69 0.00 0.00 54.13 54.54 1ikn s LEU 214 Cb -0.13 -0.98 -0.04 0.00 -0.43 0.00 0.00 46.19 44.60 1ikn s LEU 214 CO 0.05 0.02 0.07 -0.76 -0.29 0.00 0.00 176.35 175.43 1ikn s LEU 215 N 0.91 3.88 0.34 -0.68 1.43 0.51 -0.09 118.68 124.97 1ikn s LEU 215 Ca -0.09 0.13 0.08 0.00 -1.03 0.00 0.00 54.13 53.22 1ikn s LEU 215 Cb -0.15 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 1ikn s LEU 215 CO 0.00 0.21 0.29 0.00 0.23 0.00 0.00 176.35 177.08 1ikn s ASP 217 N -3.38 2.60 0.12 0.00 1.11 -1.10 -4.52 116.67 111.50 1ikn s ASP 217 Ca 0.41 0.18 -0.33 0.00 0.18 0.00 0.00 52.55 52.99 1ikn s ASP 217 Cb 0.02 -0.14 -0.13 0.00 1.07 0.00 0.00 42.92 43.75 1ikn s ASP 217 CO 0.29 -3.05 1.70 0.29 1.18 0.00 0.00 175.17 175.58 1ikn n LYS 218 N -3.96 2.37 -4.21 8.23 5.02 -1.24 -4.42 118.16 119.95 1ikn n LYS 218 Ca 0.17 0.86 -0.13 0.00 -2.02 0.00 0.00 58.31 57.19 1ikn n LYS 218 Cb 0.59 -2.68 -0.10 0.00 -0.02 0.00 0.00 35.03 32.82 1ikn n LYS 218 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1ikn s VAL 219 N 1.83 0.94 -0.20 -0.18 -7.23 0.89 -4.94 120.40 111.51 1ikn s VAL 219 Ca 0.81 -1.95 -0.09 0.00 -1.81 0.00 0.00 61.98 58.94 1ikn s VAL 219 Cb -0.62 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 34.56 1ikn s VAL 219 CO 0.39 -0.77 0.11 -1.10 -0.31 0.00 0.00 175.10 173.42 1ikn s GLN 220 N -3.65 4.13 0.58 4.82 -1.52 -1.26 -4.37 119.66 118.38 1ikn s GLN 220 Ca 0.13 -0.26 0.37 0.00 -1.95 0.00 0.00 55.36 53.65 1ikn s GLN 220 Cb 0.03 -3.37 1.67 0.00 -0.22 0.00 0.00 33.01 31.12 1ikn s GLN 220 CO -0.02 0.28 2.09 1.57 -0.25 0.00 0.00 175.29 178.96 1ikn h LYS 221 N 6.72 0.00 -0.01 2.91 2.10 -1.94 -2.40 116.57 123.96 1ikn h LYS 221 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1ikn h LYS 221 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1ikn h LYS 221 CO 0.74 0.00 -0.47 0.39 -2.00 0.00 0.00 179.45 178.11 1ikn n GLU 222 N -3.06 0.65 -2.58 0.07 4.71 -1.26 -4.40 120.64 114.77 1ikn n GLU 222 Ca -0.00 -0.46 -0.16 0.00 -0.01 0.00 0.00 57.16 56.53 1ikn n GLU 222 Cb 0.23 -1.49 0.02 0.00 -1.01 0.00 0.00 31.44 29.19 1ikn n GLU 222 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1ikn n ASP 223 N -0.77 2.78 -3.68 1.62 2.03 -0.91 -4.73 116.55 112.88 1ikn n ASP 223 Ca 0.09 -3.11 -0.12 0.00 0.52 0.00 0.00 54.79 52.17 1ikn n ASP 223 Cb 0.37 -0.50 -0.06 0.00 -0.72 0.00 0.00 41.12 40.21 1ikn n ASP 223 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1ikn s ILE 224 N -4.11 0.06 0.16 5.18 1.10 -1.20 -4.25 121.20 118.14 1ikn s ILE 224 Ca 0.36 -0.51 -0.24 0.00 -0.51 0.00 0.00 60.65 59.74 1ikn s ILE 224 Cb 0.43 -0.95 0.06 0.00 0.15 0.00 0.00 42.46 42.15 1ikn s ILE 224 CO -0.05 -0.28 0.86 -1.83 -2.11 0.00 0.00 174.94 171.53 1ikn s GLU 225 N -2.53 1.28 -0.37 3.50 -1.05 -0.86 -4.94 118.70 113.73 1ikn s GLU 225 Ca -0.05 -0.66 -0.05 0.00 -0.15 0.00 0.00 54.97 54.06 1ikn s GLU 225 Cb -0.01 0.47 0.08 0.00 -0.44 0.00 0.00 34.13 34.23 1ikn s GLU 225 CO -0.03 -0.58 0.15 0.08 0.95 0.00 0.00 175.26 175.83 1ikn s VAL 226 N -3.45 3.55 -0.48 1.83 1.01 -1.26 -1.68 120.40 119.92 1ikn s VAL 226 Ca 0.10 -1.56 -0.23 0.00 0.00 0.00 0.00 61.98 60.28 1ikn s VAL 226 Cb -0.02 -3.20 0.03 0.00 0.00 0.00 0.00 36.38 33.19 1ikn s VAL 226 CO 0.00 -0.42 0.81 -0.47 0.00 0.00 0.00 175.10 175.02 1ikn s TYR 227 N 1.29 2.94 -0.67 5.22 5.04 0.52 -0.93 117.35 130.77 1ikn s TYR 227 Ca 0.02 0.03 -0.18 0.00 -2.44 0.00 0.00 57.07 54.51 1ikn s TYR 227 Cb -0.22 -3.76 0.13 0.00 0.35 0.00 0.00 41.96 38.47 1ikn s TYR 227 CO -0.01 -1.09 0.74 -0.06 -1.34 0.00 0.00 175.55 173.79 1ikn s PHE 228 N 3.39 3.18 0.01 4.97 0.40 -0.13 -1.42 117.98 128.39 1ikn s PHE 228 Ca 0.28 -1.24 -0.06 0.00 -0.60 0.00 0.00 56.93 55.31 1ikn s PHE 228 Cb -0.13 -3.98 -0.05 0.00 0.51 0.00 0.00 43.02 39.37 1ikn s PHE 228 CO 0.20 -1.23 0.27 -0.08 0.70 0.00 0.00 175.22 175.09 1ikn s THR 229 N 2.09 5.30 0.24 0.64 -1.32 -0.73 -1.42 115.64 120.43 1ikn s THR 229 Ca 0.14 0.15 0.05 0.00 -1.21 0.00 0.00 61.69 60.82 1ikn s THR 229 Cb -0.20 -3.57 -0.02 0.00 -1.51 0.00 0.00 72.50 67.20 1ikn s THR 229 CO 0.01 0.36 0.18 0.61 -2.21 0.00 0.00 174.62 173.56 1ikn n GLY 230 N 1.08 3.31 3.55 6.08 0.00 -0.54 -1.31 105.19 117.36 1ikn n GLY 230 Ca -0.11 -1.86 -0.39 0.00 0.00 0.00 0.00 46.02 43.66 1ikn n GLY 230 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ikn s PRO 231 N -2.95 3.15 0.00 1.61 0.04 -1.26 -2.84 135.00 132.74 1ikn s PRO 231 Ca 0.25 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 60.92 1ikn s PRO 231 Cb 0.01 -4.67 0.00 0.00 0.04 0.00 0.00 34.50 29.89 1ikn s PRO 231 CO 0.18 -2.40 0.00 0.41 0.04 0.00 0.00 177.00 175.22 1ikn n GLY 232 N 6.05 0.47 3.20 0.56 0.00 -1.26 -5.03 105.19 109.18 1ikn n GLY 232 Ca 0.19 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 1ikn n GLY 232 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ikn s TRP 233 N -2.00 1.08 -0.30 1.61 -0.00 -1.13 -5.15 118.94 113.05 1ikn s TRP 233 Ca 0.00 -0.76 -0.17 0.00 -0.00 0.00 0.00 56.10 55.17 1ikn s TRP 233 Cb 0.00 -0.58 0.18 0.00 -0.00 0.00 0.00 33.47 33.07 1ikn s TRP 233 CO 0.00 -0.01 1.11 -2.00 -0.00 0.00 0.00 176.95 176.05 1ikn s GLU 234 N -3.39 0.20 0.32 5.86 2.12 -1.26 -1.47 118.70 121.07 1ikn s GLU 234 Ca 0.11 0.43 0.06 0.00 0.36 0.00 0.00 54.97 55.93 1ikn s GLU 234 Cb 0.01 0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.56 1ikn s GLU 234 CO -0.01 -0.06 0.28 0.00 -0.54 0.00 0.00 175.26 174.93 1ikn s ALA 235 N 1.88 1.78 0.03 6.30 0.00 -0.51 -5.01 121.76 126.22 1ikn s ALA 235 Ca -0.04 -2.03 0.04 0.00 0.00 0.00 0.00 51.96 49.92 1ikn s ALA 235 Cb -0.03 1.46 -0.02 0.00 0.00 0.00 0.00 23.12 24.53 1ikn s ALA 235 CO -0.15 -0.66 -0.11 1.03 0.00 0.00 0.00 175.76 175.86 1ikn s ARG 236 N -3.47 0.79 0.31 0.00 0.52 -1.26 -0.96 118.95 114.87 1ikn s ARG 236 Ca 0.40 -0.64 -0.28 0.00 -0.52 0.00 0.00 55.73 54.69 1ikn s ARG 236 Cb 0.03 -0.74 -0.09 0.00 0.52 0.00 0.00 34.95 34.66 1ikn s ARG 236 CO 0.26 0.18 1.13 0.20 0.02 0.00 0.00 175.30 177.10 1ikn s GLY 237 N -0.98 3.01 -0.22 -3.53 0.00 -0.10 -4.19 107.32 101.31 1ikn s GLY 237 Ca -0.00 0.93 -0.21 0.00 0.00 0.00 0.00 44.72 45.44 1ikn s GLY 237 CO 0.01 1.52 0.67 -0.56 0.00 0.00 0.00 173.10 174.73 1ikn s SER 238 N -0.92 6.68 -0.08 1.64 0.01 0.79 -4.66 113.70 117.17 1ikn s SER 238 Ca 0.48 0.83 -0.30 0.00 1.31 0.00 0.00 55.95 58.27 1ikn s SER 238 Cb -0.32 -2.36 0.12 0.00 0.21 0.00 0.00 66.02 63.67 1ikn s SER 238 CO 0.41 -0.34 0.97 0.72 0.41 0.00 0.00 173.24 175.41 1ikn s PHE 239 N 2.25 -0.32 0.25 2.43 -0.71 -1.26 0.05 117.98 120.67 1ikn s PHE 239 Ca 0.29 0.31 0.03 0.00 -1.04 0.00 0.00 56.93 56.51 1ikn s PHE 239 Cb -0.16 0.51 -0.03 0.00 -1.21 0.00 0.00 43.02 42.13 1ikn s PHE 239 CO 0.09 -0.43 0.41 -1.12 -1.34 0.00 0.00 175.22 172.83 1ikn s SER 240 N -2.05 6.33 0.60 1.98 0.01 -1.26 -4.96 113.70 114.34 1ikn s SER 240 Ca 0.04 0.24 0.29 0.00 1.31 0.00 0.00 55.95 57.82 1ikn s SER 240 Cb -0.01 -1.94 1.46 0.00 0.21 0.00 0.00 66.02 65.74 1ikn s SER 240 CO -0.05 -0.11 1.87 1.56 0.41 0.00 0.00 173.24 176.91 1ikn h GLN 241 N 1.32 0.00 0.00 12.44 4.20 -1.99 0.44 115.11 131.51 1ikn h GLN 241 Ca -0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.21 1ikn h GLN 241 Cb 1.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1ikn h GLN 241 CO 0.63 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.79 1ikn h ALA 242 N 1.40 1.00 -0.02 3.87 0.00 -1.93 -3.12 119.26 120.47 1ikn h ALA 242 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ikn h ALA 242 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ikn h ALA 242 CO -0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1ikn n ASP 243 N -2.71 0.30 -4.35 0.00 8.00 0.15 -4.52 116.55 113.43 1ikn n ASP 243 Ca 0.04 -1.37 -0.45 0.00 0.71 0.00 0.00 54.79 53.71 1ikn n ASP 243 Cb 0.44 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.49 1ikn n ASP 243 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ikn s VAL 244 N -1.97 5.01 -0.68 2.53 1.01 -1.18 -1.75 120.40 123.37 1ikn s VAL 244 Ca 0.33 -1.31 -0.27 0.00 0.00 0.00 0.00 61.98 60.73 1ikn s VAL 244 Cb 0.16 -4.46 0.01 0.00 0.00 0.00 0.00 36.38 32.10 1ikn s VAL 244 CO 0.26 -1.06 1.45 -2.28 0.00 0.00 0.00 175.10 173.47 1ikn s HIS 245 N 2.12 2.12 -1.53 5.22 2.46 -0.25 -4.21 115.29 121.22 1ikn s HIS 245 Ca 0.10 0.24 0.00 0.00 0.47 0.00 0.00 55.06 55.87 1ikn s HIS 245 Cb -0.24 -4.46 0.00 0.00 -0.13 0.00 0.00 32.58 27.75 1ikn s HIS 245 CO 0.03 -2.12 0.00 0.54 -2.47 0.00 0.00 174.74 170.72 1ikn n ARG 246 N 9.23 -1.84 -0.39 2.88 3.00 -1.26 -2.21 116.66 126.06 1ikn n ARG 246 Ca 0.09 0.86 0.00 0.00 -0.01 0.00 0.00 57.85 58.79 1ikn n ARG 246 Cb 0.50 -5.46 0.00 0.00 0.00 0.00 0.00 32.46 27.50 1ikn n ARG 246 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1ikn n GLN 247 N -2.81 0.00 -0.01 5.56 6.02 -1.26 -4.80 117.38 120.08 1ikn n GLN 247 Ca -0.20 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 56.80 1ikn n GLN 247 Cb 0.64 -2.68 0.01 0.00 1.02 0.00 0.00 30.24 29.24 1ikn n GLN 247 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1ikn n VAL 248 N -2.00 0.98 -3.53 5.09 0.24 -0.94 -0.08 118.33 118.10 1ikn n VAL 248 Ca 0.00 -1.00 -0.17 0.00 -2.04 0.00 0.00 64.34 61.13 1ikn n VAL 248 Cb 0.00 0.49 -0.06 0.00 -1.47 0.00 0.00 33.84 32.80 1ikn n VAL 248 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ikn s ALA 249 N -1.04 -1.65 -0.03 2.33 0.00 -1.18 -1.05 121.76 119.12 1ikn s ALA 249 Ca 0.02 1.10 -0.01 0.00 0.00 0.00 0.00 51.96 53.07 1ikn s ALA 249 Cb 0.02 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.32 1ikn s ALA 249 CO 0.00 -0.42 0.06 0.42 0.00 0.00 0.00 175.76 175.82 1ikn s ILE 250 N -1.62 -0.07 -0.27 0.00 1.01 0.87 -1.09 121.20 120.03 1ikn s ILE 250 Ca -0.09 0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.74 1ikn s ILE 250 Cb -0.00 -0.13 0.01 0.00 0.01 0.00 0.00 42.46 42.34 1ikn s ILE 250 CO 0.06 0.10 0.03 -0.69 0.00 0.00 0.00 174.94 174.43 1ikn s VAL 251 N 1.26 3.64 0.24 2.92 1.01 -0.71 -0.87 120.40 127.89 1ikn s VAL 251 Ca -0.07 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1ikn s VAL 251 Cb -0.13 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 1ikn s VAL 251 CO -0.04 0.17 0.21 0.72 0.00 0.00 0.00 175.10 176.16 1ikn s PHE 252 N 1.46 1.25 0.03 5.22 -0.71 -0.90 -4.73 117.98 119.61 1ikn s PHE 252 Ca 0.03 -1.40 0.05 0.00 -1.04 0.00 0.00 56.93 54.57 1ikn s PHE 252 Cb -0.17 -0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 41.09 1ikn s PHE 252 CO 0.00 -0.75 -0.12 1.03 -1.34 0.00 0.00 175.22 174.04 1ikn s ARG 253 N -3.91 2.32 0.38 1.99 0.52 0.11 0.08 118.95 120.44 1ikn s ARG 253 Ca 0.38 -0.86 -0.25 0.00 -0.52 0.00 0.00 55.73 54.49 1ikn s ARG 253 Cb 0.05 -2.35 -0.09 0.00 0.52 0.00 0.00 34.95 33.07 1ikn s ARG 253 CO 0.16 0.57 1.05 0.95 0.02 0.00 0.00 175.30 178.05 1ikn s THR 254 N -0.99 3.72 0.72 0.02 -4.23 0.60 -0.15 115.64 115.35 1ikn s THR 254 Ca 0.16 1.36 -0.11 0.00 -1.18 0.00 0.00 61.69 61.92 1ikn s THR 254 Cb -0.11 -3.72 0.02 0.00 1.34 0.00 0.00 72.50 70.03 1ikn s THR 254 CO 0.07 0.05 1.08 -2.16 -0.54 0.00 0.00 174.62 173.12 1ikn s PRO 255 N -2.37 2.71 0.39 3.99 0.04 -1.26 -0.20 135.00 138.29 1ikn s PRO 255 Ca 0.56 0.62 -0.25 0.00 0.04 0.00 0.00 61.00 61.97 1ikn s PRO 255 Cb -0.23 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 1ikn s PRO 255 CO 0.29 -1.17 1.11 -2.14 0.04 0.00 0.00 177.00 175.12 1ikn s PRO 256 N -5.23 4.16 0.72 0.56 0.02 -1.26 -4.14 135.00 129.82 1ikn s PRO 256 Ca 0.59 1.70 -0.11 0.00 0.02 0.00 0.00 61.00 63.20 1ikn s PRO 256 Cb -0.13 -2.68 0.02 0.00 0.02 0.00 0.00 34.50 31.74 1ikn s PRO 256 CO 0.53 -0.19 1.10 -0.47 -0.33 0.00 0.00 177.00 177.64 1ikn s TYR 257 N -1.48 3.28 0.14 6.54 5.04 -0.73 -4.91 117.35 125.23 1ikn s TYR 257 Ca 0.56 1.05 -0.18 0.00 -2.44 0.00 0.00 57.07 56.05 1ikn s TYR 257 Cb -0.27 -3.09 0.03 0.00 0.35 0.00 0.00 41.96 38.98 1ikn s TYR 257 CO 0.34 -1.24 1.70 0.00 -1.34 0.00 0.00 175.55 175.01 1ikn h ALA 258 N -0.70 0.22 -2.43 3.97 0.00 -1.96 -3.37 119.26 114.99 1ikn h ALA 258 Ca -0.45 0.10 -0.69 0.00 0.00 0.00 0.00 54.91 53.87 1ikn h ALA 258 Cb 1.26 0.19 -0.19 0.00 0.00 0.00 0.00 17.79 19.05 1ikn h ALA 258 CO 0.64 -0.45 -0.26 0.34 0.00 0.00 0.00 179.25 179.52 1ikn s ASP 259 N -5.22 6.18 0.00 0.00 -1.08 -1.26 -4.93 116.67 110.36 1ikn s ASP 259 Ca -0.13 -0.64 0.29 0.00 -0.52 0.00 0.00 52.55 51.55 1ikn s ASP 259 Cb 0.12 -2.21 1.24 0.00 -1.46 0.00 0.00 42.92 40.61 1ikn s ASP 259 CO 0.70 -0.52 1.85 -0.81 0.52 0.00 0.00 175.17 176.91 1ikn n PRO 260 N 5.49 1.52 -0.38 4.34 -0.04 -1.26 -3.66 135.00 141.01 1ikn n PRO 260 Ca -0.08 -0.75 0.07 0.00 -0.04 0.00 0.00 63.50 62.69 1ikn n PRO 260 Cb 0.48 -1.48 0.18 0.00 -0.04 0.00 0.00 33.50 32.64 1ikn n PRO 260 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ikn n SER 261 N -0.08 2.26 -4.53 3.54 7.64 -1.26 -4.82 113.62 116.37 1ikn n SER 261 Ca 0.20 -3.46 -0.50 0.00 1.01 0.00 0.00 58.87 56.12 1ikn n SER 261 Cb 0.30 -0.50 -0.04 0.00 -1.01 0.00 0.00 64.21 62.96 1ikn n SER 261 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1ikn n LEU 262 N -1.21 0.67 -0.07 -3.43 7.94 -1.24 -4.90 117.00 114.76 1ikn n LEU 262 Ca 0.19 1.15 -0.07 0.00 -1.11 0.00 0.00 56.01 56.17 1ikn n LEU 262 Cb 0.72 -1.12 -0.12 0.00 0.53 0.00 0.00 43.42 43.44 1ikn n LEU 262 CO 0.02 -1.81 -0.98 1.67 -1.11 0.00 0.00 177.39 175.19 1ikn n GLN 263 N 1.39 1.50 -4.66 1.96 -0.06 -1.26 -4.40 117.38 111.85 1ikn n GLN 263 Ca 0.16 -0.01 -0.24 0.00 -2.00 0.00 0.00 57.00 54.91 1ikn n GLN 263 Cb 0.23 -1.39 -0.15 0.00 -4.06 0.00 0.00 30.24 24.88 1ikn n GLN 263 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1ikn s ALA 264 N -2.40 1.44 0.62 1.69 0.00 -1.26 -4.87 121.76 116.98 1ikn s ALA 264 Ca -0.07 -0.84 -0.18 0.00 0.00 0.00 0.00 51.96 50.87 1ikn s ALA 264 Cb 0.05 -0.31 -0.06 0.00 0.00 0.00 0.00 23.12 22.79 1ikn s ALA 264 CO 0.62 0.33 0.69 -2.30 0.00 0.00 0.00 175.76 175.10 1ikn n PRO 265 N 2.28 0.59 -4.18 0.00 -0.02 -1.26 -4.84 135.00 127.57 1ikn n PRO 265 Ca -0.16 0.24 -0.20 0.00 -2.02 0.00 0.00 63.50 61.36 1ikn n PRO 265 Cb 0.54 -1.90 -0.16 0.00 -0.02 0.00 0.00 33.50 31.96 1ikn n PRO 265 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ikn s VAL 266 N -1.69 0.54 0.25 -1.45 0.11 -0.47 -4.98 120.40 112.71 1ikn s VAL 266 Ca 0.71 -0.13 -0.28 0.00 -2.93 0.00 0.00 61.98 59.35 1ikn s VAL 266 Cb -0.41 -0.56 -0.09 0.00 -1.53 0.00 0.00 36.38 33.79 1ikn s VAL 266 CO 0.52 0.22 0.92 -0.13 -3.33 0.00 0.00 175.10 173.30 1ikn s ARG 267 N 0.85 4.73 0.06 1.54 1.81 -1.26 0.10 118.95 126.78 1ikn s ARG 267 Ca -0.12 1.39 -0.00 0.00 -1.72 0.00 0.00 55.73 55.28 1ikn s ARG 267 Cb -0.14 -3.13 -0.04 0.00 -0.45 0.00 0.00 34.95 31.19 1ikn s ARG 267 CO 0.00 0.46 -0.04 0.08 -0.68 0.00 0.00 175.30 175.12 1ikn s VAL 268 N -1.31 0.32 0.12 3.52 1.01 0.66 -4.91 120.40 119.81 1ikn s VAL 268 Ca 0.43 -1.81 -0.07 0.00 0.00 0.00 0.00 61.98 60.53 1ikn s VAL 268 Cb -0.23 -1.52 -0.06 0.00 0.00 0.00 0.00 36.38 34.57 1ikn s VAL 268 CO 0.29 -0.96 0.39 -0.55 0.00 0.00 0.00 175.10 174.26 1ikn s SER 269 N -2.91 6.54 -0.03 3.32 0.15 -0.43 0.55 113.70 120.89 1ikn s SER 269 Ca 0.07 0.66 -0.01 0.00 0.70 0.00 0.00 55.95 57.38 1ikn s SER 269 Cb 0.07 -2.12 0.03 0.00 -1.71 0.00 0.00 66.02 62.29 1ikn s SER 269 CO -0.09 0.09 0.06 -0.32 1.20 0.00 0.00 173.24 174.18 1ikn s MET 270 N -2.41 -0.01 0.24 5.44 0.00 -0.73 -1.78 119.30 120.05 1ikn s MET 270 Ca 0.38 0.26 -0.14 0.00 0.00 0.00 0.00 55.69 56.19 1ikn s MET 270 Cb -0.13 -0.26 0.00 0.00 0.00 0.00 0.00 34.83 34.44 1ikn s MET 270 CO 0.22 -0.19 0.50 1.14 0.00 0.00 0.00 175.02 176.69 1ikn s GLN 271 N 1.24 1.55 0.12 4.11 -2.07 -0.51 -0.89 119.66 123.22 1ikn s GLN 271 Ca -0.07 -1.19 -0.21 0.00 -1.82 0.00 0.00 55.36 52.07 1ikn s GLN 271 Cb -0.13 0.49 -0.07 0.00 -1.09 0.00 0.00 33.01 32.21 1ikn s GLN 271 CO -0.04 -0.65 0.66 -0.51 -1.32 0.00 0.00 175.29 173.43 1ikn s LEU 272 N -2.99 4.52 -0.03 2.60 1.02 -1.26 -0.35 118.68 122.19 1ikn s LEU 272 Ca 0.20 1.40 -0.00 0.00 0.02 0.00 0.00 54.13 55.75 1ikn s LEU 272 Cb -0.01 -3.13 0.03 0.00 0.02 0.00 0.00 46.19 43.10 1ikn s LEU 272 CO 0.07 0.22 0.02 -0.60 0.02 0.00 0.00 176.35 176.08 1ikn s ARG 273 N -1.26 0.14 -0.36 1.70 3.52 -0.68 -0.39 118.95 121.62 1ikn s ARG 273 Ca 0.33 0.17 -0.14 0.00 -0.13 0.00 0.00 55.73 55.96 1ikn s ARG 273 Cb -0.20 -0.44 -0.01 0.00 -1.56 0.00 0.00 34.95 32.74 1ikn s ARG 273 CO 0.22 -0.19 0.31 0.50 -0.81 0.00 0.00 175.30 175.33 1ikn s ARG 274 N 1.29 3.40 0.21 5.12 3.52 0.11 -2.02 118.95 130.59 1ikn s ARG 274 Ca -0.06 -0.63 -0.10 0.00 -0.13 0.00 0.00 55.73 54.81 1ikn s ARG 274 Cb -0.13 -3.85 0.21 0.00 -1.56 0.00 0.00 34.95 29.62 1ikn s ARG 274 CO -0.03 -0.56 1.84 -1.35 -0.81 0.00 0.00 175.30 174.40 1ikn h PRO 275 N 8.53 0.83 -0.19 5.12 0.11 -1.86 0.14 132.00 144.67 1ikn h PRO 275 Ca -0.30 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.82 1ikn h PRO 275 Cb 1.14 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1ikn h PRO 275 CO 0.68 0.55 0.27 0.66 -0.21 0.00 0.00 178.00 179.95 1ikn h SER 276 N 0.85 0.00 0.00 -2.05 4.64 -1.92 -3.03 113.55 112.04 1ikn h SER 276 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1ikn h SER 276 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1ikn h SER 276 CO -0.12 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 174.94 1ikn n ASP 277 N -3.55 0.36 0.00 4.97 5.68 -1.17 -4.98 116.55 117.86 1ikn n ASP 277 Ca 0.02 -1.07 0.00 0.00 -0.50 0.00 0.00 54.79 53.24 1ikn n ASP 277 Cb 0.39 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 1ikn n ASP 277 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ikn n ARG 278 N -0.03 -0.14 -1.66 0.11 1.74 0.02 -4.96 116.66 111.74 1ikn n ARG 278 Ca 0.00 0.03 -0.44 0.00 -0.77 0.00 0.00 57.85 56.68 1ikn n ARG 278 Cb 0.23 -3.43 -0.01 0.00 -1.02 0.00 0.00 32.46 28.22 1ikn n ARG 278 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1ikn n GLU 279 N -1.88 1.85 -4.62 5.56 4.07 -1.13 -4.73 120.64 119.75 1ikn n GLU 279 Ca 0.00 0.65 -0.22 0.00 -0.06 0.00 0.00 57.16 57.53 1ikn n GLU 279 Cb 0.03 -2.18 -0.15 0.00 -0.06 0.00 0.00 31.44 29.09 1ikn n GLU 279 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1ikn s LEU 280 N -0.35 2.04 0.91 4.31 1.43 -1.26 -0.71 118.68 125.06 1ikn s LEU 280 Ca 0.59 -0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 53.27 1ikn s LEU 280 Cb -0.63 -0.72 0.18 0.00 0.03 0.00 0.00 46.19 45.05 1ikn s LEU 280 CO 0.59 0.16 1.26 -0.94 0.23 0.00 0.00 176.35 177.65 1ikn s SER 281 N -0.43 3.43 0.43 2.29 1.04 0.47 -4.91 113.70 116.03 1ikn s SER 281 Ca 0.05 0.23 -0.25 0.00 0.48 0.00 0.00 55.95 56.46 1ikn s SER 281 Cb -0.06 -0.37 -0.08 0.00 0.10 0.00 0.00 66.02 65.62 1ikn s SER 281 CO -0.00 -2.52 1.28 -0.70 0.98 0.00 0.00 173.24 172.28 1ikn s GLU 282 N -5.75 3.83 0.43 4.02 2.12 -1.26 -4.64 118.70 117.44 1ikn s GLU 282 Ca 0.72 2.09 -0.23 0.00 0.36 0.00 0.00 54.97 57.91 1ikn s GLU 282 Cb -0.05 -2.63 -0.09 0.00 0.26 0.00 0.00 34.13 31.63 1ikn s GLU 282 CO 0.51 -0.59 1.07 -1.25 -0.54 0.00 0.00 175.26 174.46 1ikn s PRO 283 N -2.41 4.01 -0.11 4.30 0.04 -1.26 -4.69 135.00 134.88 1ikn s PRO 283 Ca 0.60 1.54 0.03 0.00 0.04 0.00 0.00 61.00 63.21 1ikn s PRO 283 Cb -0.37 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 31.75 1ikn s PRO 283 CO 0.46 -0.28 -0.22 -1.64 0.04 0.00 0.00 177.00 175.35 1ikn s MET 284 N -2.68 2.93 0.40 4.56 -1.94 -0.07 -4.91 119.30 117.59 1ikn s MET 284 Ca 0.61 -0.83 -0.27 0.00 -1.71 0.00 0.00 55.69 53.48 1ikn s MET 284 Cb -0.22 -2.26 -0.10 0.00 2.01 0.00 0.00 34.83 34.25 1ikn s MET 284 CO 0.28 0.11 1.46 -1.21 -0.01 0.00 0.00 175.02 175.65 1ikn s GLU 285 N 0.50 3.99 -0.02 2.03 8.01 -1.26 -1.78 118.70 130.18 1ikn s GLU 285 Ca -0.15 2.51 -0.00 0.00 0.01 0.00 0.00 54.97 57.33 1ikn s GLU 285 Cb -0.17 -2.88 0.03 0.00 -4.31 0.00 0.00 34.13 26.80 1ikn s GLU 285 CO 0.06 -0.60 0.03 0.12 0.01 0.00 0.00 175.26 174.87 1ikn s PHE 286 N -1.15 0.02 -0.37 1.61 2.19 0.19 -4.87 117.98 115.61 1ikn s PHE 286 Ca 0.55 0.13 -0.04 0.00 0.33 0.00 0.00 56.93 57.90 1ikn s PHE 286 Cb -0.45 -0.22 0.08 0.00 -1.31 0.00 0.00 43.02 41.12 1ikn s PHE 286 CO 0.61 -0.08 0.15 -1.14 1.83 0.00 0.00 175.22 176.58 1ikn s GLN 287 N 0.98 2.28 0.74 10.12 0.74 -0.73 0.24 119.66 134.03 1ikn s GLN 287 Ca -0.08 -1.55 -0.13 0.00 0.05 0.00 0.00 55.36 53.66 1ikn s GLN 287 Cb -0.12 -3.49 0.04 0.00 1.10 0.00 0.00 33.01 30.54 1ikn s GLN 287 CO -0.03 -0.89 1.12 0.71 -0.55 0.00 0.00 175.29 175.65 1ikn s TYR 288 N 1.24 2.46 0.17 1.67 2.02 0.11 -3.17 117.35 121.86 1ikn s TYR 288 Ca 0.03 1.58 -0.08 0.00 -0.37 0.00 0.00 57.07 58.23 1ikn s TYR 288 Cb -0.22 -3.16 -0.01 0.00 -0.40 0.00 0.00 41.96 38.17 1ikn s TYR 288 CO -0.02 -1.92 0.26 -0.51 -1.57 0.00 0.00 175.55 171.79 1ikn s LEU 289 N -5.48 1.01 0.55 -1.29 1.43 -0.67 -1.37 118.68 112.86 1ikn s LEU 289 Ca 0.65 -0.95 -0.04 0.00 -1.03 0.00 0.00 54.13 52.76 1ikn s LEU 289 Cb -0.20 1.08 0.01 0.00 0.03 0.00 0.00 46.19 47.11 1ikn s LEU 289 CO 0.49 -0.89 0.84 -2.16 0.23 0.00 0.00 176.35 174.86 1ikn s PRO 290 N -3.99 2.95 0.03 1.29 0.04 -1.26 0.37 135.00 134.42 1ikn s PRO 290 Ca 0.20 -0.14 0.28 0.00 0.04 0.00 0.00 61.00 61.37 1ikn s PRO 290 Cb 0.04 -2.35 0.99 0.00 0.04 0.00 0.00 34.50 33.22 1ikn s PRO 290 CO 0.02 -0.59 1.77 -0.25 0.04 0.00 0.00 177.00 177.99 1ikn n ASP 291 N -2.45 0.23 0.00 6.66 9.92 -1.26 -4.79 116.55 124.86 1ikn n ASP 291 Ca 0.04 0.33 0.00 0.00 -0.53 0.00 0.00 54.79 54.62 1ikn n ASP 291 Cb 0.58 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 1ikn n ASP 291 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1ikn n THR 292 N -1.61 0.00 0.14 -3.53 -2.24 -1.26 0.12 114.28 105.90 1ikn n THR 292 Ca 0.06 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.86 1ikn n THR 292 Cb 0.35 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.68 1ikn n THR 292 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ikn h ASP 293 N 0.00 0.00 0.50 3.42 5.19 -2.00 -3.33 116.42 120.20 1ikn h ASP 293 Ca 0.00 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.11 1ikn h ASP 293 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1ikn h ASP 293 CO 0.00 0.54 -1.53 -2.24 -3.12 0.00 0.00 179.24 172.89 1ikn h ASP 294 N 0.00 0.28 0.00 6.45 2.03 -1.00 0.19 116.42 124.37 1ikn h ASP 294 Ca -0.01 -0.41 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 1ikn h ASP 294 Cb 1.29 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 1ikn h ASP 294 CO 0.07 1.35 0.30 -1.14 -1.03 0.00 0.00 179.24 178.79 1ikn n ARG 295 N -3.37 0.06 -1.48 4.15 0.63 0.32 -1.93 116.66 115.04 1ikn n ARG 295 Ca -0.16 0.49 -0.01 0.00 -0.92 0.00 0.00 57.85 57.26 1ikn n ARG 295 Cb 1.03 -2.01 -0.00 0.00 0.45 0.00 0.00 32.46 31.93 1ikn n ARG 295 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1ikn n HIS 296 N -1.83 -0.02 -4.20 -0.14 8.25 -1.26 -5.00 115.22 111.02 1ikn n HIS 296 Ca -0.01 -0.69 -0.35 0.00 -0.26 0.00 0.00 57.72 56.42 1ikn n HIS 296 Cb 0.32 0.17 -0.03 0.00 1.12 0.00 0.00 29.99 31.57 1ikn n HIS 296 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ikn n ARG 297 N 0.12 -3.00 -1.77 -0.41 3.00 -0.81 -4.41 116.66 109.38 1ikn n ARG 297 Ca -0.08 0.36 0.00 0.00 -0.01 0.00 0.00 57.85 58.12 1ikn n ARG 297 Cb 0.95 -4.93 0.00 0.00 0.00 0.00 0.00 32.46 28.48 1ikn n ARG 297 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1ikn n ILE 298 N -4.38 -3.86 0.07 0.55 5.41 0.06 -5.04 119.36 112.16 1ikn n ILE 298 Ca -0.00 1.79 0.00 0.00 1.00 0.00 0.00 62.75 65.54 1ikn n ILE 298 Cb 0.53 -2.32 0.00 0.00 -0.71 0.00 0.00 39.64 37.14 1ikn n ILE 298 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1ikn n GLU 299 N 0.43 0.00 -1.29 0.38 -0.58 -1.26 -5.13 120.64 113.20 1ikn n GLU 299 Ca 0.00 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.35 1ikn n GLU 299 Cb 0.00 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 30.88 1ikn n GLU 299 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1ikn n GLU 300 N -2.82 0.09 -3.22 3.49 -0.58 -1.26 -3.61 120.64 112.73 1ikn n GLU 300 Ca 0.00 0.04 -0.09 0.00 -0.42 0.00 0.00 57.16 56.69 1ikn n GLU 300 Cb 0.00 -1.12 0.02 0.00 -0.57 0.00 0.00 31.44 29.77 1ikn n GLU 300 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1ikn n LYS 301 N 1.23 -1.59 -2.00 3.49 4.81 -1.26 -4.87 118.16 117.96 1ikn n LYS 301 Ca 0.09 1.18 -0.42 0.00 -0.87 0.00 0.00 58.31 58.29 1ikn n LYS 301 Cb 0.47 -5.38 -0.00 0.00 0.02 0.00 0.00 35.03 30.13 1ikn n LYS 301 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1ikn n ARG 302 N -2.45 3.50 0.00 1.64 0.00 -1.24 -5.25 116.66 112.85 1ikn n ARG 302 Ca -0.05 -3.09 0.00 0.00 -0.00 0.00 0.00 57.85 54.70 1ikn n ARG 302 Cb 0.56 -3.00 0.00 0.00 -0.00 0.00 0.00 32.46 30.02 1ikn n ARG 302 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26