#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kn0 s PHE 26 N 0.00 3.65 0.00 0.00 5.36 -1.26 -1.03 117.98 124.70 1kn0 s PHE 26 Ca 0.00 1.63 0.00 0.00 -0.96 0.00 0.00 56.93 57.60 1kn0 s PHE 26 Cb 0.00 -3.21 0.00 0.00 -0.34 0.00 0.00 43.02 39.47 1kn0 s PHE 26 CO 0.00 -0.37 0.00 0.41 -1.46 0.00 0.00 175.22 173.80 1kn0 n GLY 27 N 2.35 3.06 0.00 13.12 0.00 0.73 -4.79 105.19 119.66 1kn0 n GLY 27 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1kn0 n GLY 27 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1kn0 n GLN 28 N -1.24 0.00 -0.75 1.61 1.13 -1.08 -3.98 117.38 113.07 1kn0 n GLN 28 Ca 0.00 0.24 -0.26 0.00 -1.94 0.00 0.00 57.00 55.04 1kn0 n GLN 28 Cb 0.00 -0.72 -0.02 0.00 0.11 0.00 0.00 30.24 29.61 1kn0 n GLN 28 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1kn0 s GLN 30 N -0.50 2.16 0.22 0.00 -0.21 -1.26 -3.31 119.66 116.76 1kn0 s GLN 30 Ca 0.35 -0.92 -0.30 0.00 0.02 0.00 0.00 55.36 54.51 1kn0 s GLN 30 Cb -0.51 -2.22 -0.09 0.00 1.00 0.00 0.00 33.01 31.19 1kn0 s GLN 30 CO 0.30 0.56 1.30 0.71 -2.12 0.00 0.00 175.29 176.04 1kn0 s TYR 31 N -0.87 3.24 0.57 0.91 1.51 -1.26 -5.01 117.35 116.43 1kn0 s TYR 31 Ca 0.14 1.26 -0.14 0.00 -1.01 0.00 0.00 57.07 57.32 1kn0 s TYR 31 Cb -0.10 -3.60 -0.06 0.00 -0.11 0.00 0.00 41.96 38.08 1kn0 s TYR 31 CO 0.04 -1.84 1.01 0.95 -1.11 0.00 0.00 175.55 174.60 1kn0 s THR 32 N -0.09 4.54 0.26 -0.71 -4.23 -1.26 -4.81 115.64 109.33 1kn0 s THR 32 Ca 0.55 1.04 -0.02 0.00 -1.18 0.00 0.00 61.69 62.08 1kn0 s THR 32 Cb -0.37 -3.74 0.24 0.00 1.34 0.00 0.00 72.50 69.96 1kn0 s THR 32 CO 0.40 -0.87 1.72 0.00 -0.54 0.00 0.00 174.62 175.34 1kn0 h ALA 33 N 0.33 1.15 0.60 3.99 0.00 -1.99 0.37 119.26 123.72 1kn0 h ALA 33 Ca -0.46 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1kn0 h ALA 33 Cb 1.19 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1kn0 h ALA 33 CO 0.61 -0.23 -0.42 0.93 0.00 0.00 0.00 179.25 180.14 1kn0 h GLU 34 N 0.44 -0.94 -0.89 0.00 3.07 -2.00 -1.53 114.58 112.74 1kn0 h GLU 34 Ca 0.45 0.06 0.05 0.00 -0.50 0.00 0.00 59.36 59.42 1kn0 h GLU 34 Cb 0.72 0.21 -0.06 0.00 -0.84 0.00 0.00 28.75 28.79 1kn0 h GLU 34 CO -0.43 -0.63 0.56 1.49 -1.40 0.00 0.00 179.01 178.61 1kn0 h GLU 35 N -0.97 1.03 -0.02 2.33 4.81 -1.88 -1.72 114.58 118.16 1kn0 h GLU 35 Ca -0.08 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1kn0 h GLU 35 Cb 0.80 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1kn0 h GLU 35 CO 0.05 0.68 -0.09 -0.92 -0.73 0.00 0.00 179.01 178.00 1kn0 h TYR 36 N 1.06 -0.23 -0.49 0.92 3.20 -0.81 -1.59 116.97 119.04 1kn0 h TYR 36 Ca 0.37 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.24 1kn0 h TYR 36 Cb 0.09 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 1kn0 h TYR 36 CO -0.02 -0.14 0.28 0.37 -1.64 0.00 0.00 178.16 177.01 1kn0 h GLN 37 N -0.15 0.68 0.46 1.82 4.15 -0.94 0.15 115.11 121.28 1kn0 h GLN 37 Ca 0.04 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1kn0 h GLN 37 Cb 0.20 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 1kn0 h GLN 37 CO -0.11 0.52 -0.33 0.00 -1.93 0.00 0.00 178.83 176.98 1kn0 h ALA 38 N 1.12 -1.10 -0.69 3.38 0.00 -1.14 -1.38 119.26 119.45 1kn0 h ALA 38 Ca 0.17 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.04 1kn0 h ALA 38 Cb 0.03 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 1kn0 h ALA 38 CO -0.03 -1.09 0.28 0.82 0.00 0.00 0.00 179.25 179.23 1kn0 h ILE 39 N -0.76 0.74 -0.88 0.00 2.04 -1.30 0.28 117.51 117.63 1kn0 h ILE 39 Ca -0.06 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.69 1kn0 h ILE 39 Cb 0.63 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 1kn0 h ILE 39 CO 0.03 0.08 0.58 -0.61 0.00 0.00 0.00 178.15 178.23 1kn0 h GLN 40 N 0.46 1.00 0.07 2.37 5.75 -0.50 0.35 115.11 124.62 1kn0 h GLN 40 Ca 0.36 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.79 1kn0 h GLN 40 Cb 0.47 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.79 1kn0 h GLN 40 CO -0.34 0.66 -0.03 0.87 -2.65 0.00 0.00 178.83 177.34 1kn0 h LYS 41 N 1.03 -0.09 -0.57 1.69 1.57 -0.24 -3.35 116.57 116.62 1kn0 h LYS 41 Ca 0.37 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.26 1kn0 h LYS 41 Cb 0.13 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.35 1kn0 h LYS 41 CO -0.13 0.45 -0.24 0.00 -0.57 0.00 0.00 179.45 178.97 1kn0 h ALA 42 N -0.27 0.18 0.00 3.86 0.00 -0.24 0.11 119.26 122.89 1kn0 h ALA 42 Ca -0.01 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1kn0 h ALA 42 Cb 0.59 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1kn0 h ALA 42 CO 0.02 -0.55 0.27 -0.07 0.00 0.00 0.00 179.25 178.91 1kn0 h LEU 43 N -0.10 0.00 -0.42 0.00 3.38 -1.05 -0.68 115.31 116.44 1kn0 h LEU 43 Ca 0.26 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.05 1kn0 h LEU 43 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1kn0 h LEU 43 CO -0.63 0.00 -0.79 0.03 0.09 0.00 0.00 178.44 177.14 1kn0 h ARG 44 N 0.00 0.11 -6.25 1.13 3.08 -1.09 -1.31 114.38 110.05 1kn0 h ARG 44 Ca 0.00 -0.11 -0.61 0.00 0.07 0.00 0.00 59.98 59.34 1kn0 h ARG 44 Cb 0.53 0.03 0.15 0.00 0.08 0.00 0.00 29.97 30.76 1kn0 h ARG 44 CO 0.00 0.84 -0.59 1.04 -1.07 0.00 0.00 179.97 180.19 1kn0 n GLN 45 N -3.67 0.38 -3.95 0.04 6.02 -0.26 -4.55 117.38 111.39 1kn0 n GLN 45 Ca -0.02 0.14 -0.27 0.00 -0.01 0.00 0.00 57.00 56.84 1kn0 n GLN 45 Cb 0.75 -1.37 -0.03 0.00 1.02 0.00 0.00 30.24 30.61 1kn0 n GLN 45 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1kn0 s ARG 46 N -1.46 3.42 0.39 -1.09 0.52 -1.26 -1.54 118.95 117.93 1kn0 s ARG 46 Ca 0.63 -0.57 -0.23 0.00 -0.52 0.00 0.00 55.73 55.03 1kn0 s ARG 46 Cb -0.58 -2.97 -0.10 0.00 0.52 0.00 0.00 34.95 31.82 1kn0 s ARG 46 CO 0.59 0.54 0.97 -0.51 0.02 0.00 0.00 175.30 176.92 1kn0 s LEU 47 N -3.06 4.10 0.80 2.53 2.01 -1.26 -4.93 118.68 118.86 1kn0 s LEU 47 Ca 0.34 1.82 -0.10 0.00 0.01 0.00 0.00 54.13 56.21 1kn0 s LEU 47 Cb -0.11 -4.31 0.10 0.00 0.01 0.00 0.00 46.19 41.88 1kn0 s LEU 47 CO 0.28 -0.33 1.14 -0.83 1.01 0.00 0.00 176.35 177.62 1kn0 s GLY 48 N -1.86 1.68 0.23 -3.19 0.00 -1.26 -4.93 107.32 97.98 1kn0 s GLY 48 Ca 0.58 -0.93 0.19 0.00 0.00 0.00 0.00 44.72 44.55 1kn0 s GLY 48 CO 0.20 -0.41 1.57 -1.05 0.00 0.00 0.00 173.10 173.41 1kn0 n PRO 49 N -3.24 0.13 0.06 2.90 -0.02 -1.26 -2.09 135.00 131.47 1kn0 n PRO 49 Ca 0.10 0.53 0.08 0.00 -2.02 0.00 0.00 63.50 62.19 1kn0 n PRO 49 Cb 0.60 -1.84 0.36 0.00 -0.02 0.00 0.00 33.50 32.61 1kn0 n PRO 49 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1kn0 n GLU 50 N -2.09 0.08 -0.08 -0.52 4.71 -1.26 -2.86 120.64 118.62 1kn0 n GLU 50 Ca 0.00 0.37 -0.07 0.00 -0.01 0.00 0.00 57.16 57.45 1kn0 n GLU 50 Cb 0.09 -1.67 -0.13 0.00 -1.01 0.00 0.00 31.44 28.72 1kn0 n GLU 50 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1kn0 n TYR 51 N -1.82 0.00 -1.87 -0.32 4.02 -0.89 -5.02 117.16 111.26 1kn0 n TYR 51 Ca 0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.60 1kn0 n TYR 51 Cb 0.16 -0.78 0.02 0.00 -0.02 0.00 0.00 39.34 38.72 1kn0 n TYR 51 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1kn0 s ILE 52 N -2.49 4.19 0.28 -0.72 -1.09 -1.13 -4.32 121.20 115.91 1kn0 s ILE 52 Ca -0.08 0.84 0.01 0.00 -2.23 0.00 0.00 60.65 59.19 1kn0 s ILE 52 Cb 0.06 -3.54 -0.00 0.00 -1.58 0.00 0.00 42.46 37.39 1kn0 s ILE 52 CO 0.69 -0.81 0.34 -1.20 -1.23 0.00 0.00 174.94 172.74 1kn0 n SER 53 N -2.55 -0.93 -3.58 3.58 7.64 -0.34 -4.97 113.62 112.47 1kn0 n SER 53 Ca 0.07 -2.59 -0.14 0.00 1.01 0.00 0.00 58.87 57.22 1kn0 n SER 53 Cb 0.54 1.83 -0.05 0.00 -1.01 0.00 0.00 64.21 65.51 1kn0 n SER 53 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1kn0 s SER 54 N -2.77 -0.45 0.10 6.43 1.04 -1.26 -2.38 113.70 114.41 1kn0 s SER 54 Ca 0.26 0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.94 1kn0 s SER 54 Cb -0.00 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 1kn0 s SER 54 CO 0.18 -0.69 -0.05 -0.13 0.98 0.00 0.00 173.24 173.53 1kn0 s ARG 55 N -2.25 0.85 -0.51 4.02 0.52 -0.61 -4.96 118.95 116.01 1kn0 s ARG 55 Ca -0.06 -1.35 -0.17 0.00 -0.52 0.00 0.00 55.73 53.62 1kn0 s ARG 55 Cb -0.01 -0.16 0.08 0.00 0.52 0.00 0.00 34.95 35.38 1kn0 s ARG 55 CO -0.00 -0.05 0.52 1.41 0.02 0.00 0.00 175.30 177.20 1kn0 s MET 56 N -3.86 3.03 0.18 3.54 1.75 -1.26 -1.21 119.30 121.46 1kn0 s MET 56 Ca 0.13 -1.29 -0.33 0.00 -1.25 0.00 0.00 55.69 52.95 1kn0 s MET 56 Cb 0.06 -4.17 -0.15 0.00 2.84 0.00 0.00 34.83 33.40 1kn0 s MET 56 CO -0.04 -1.21 1.30 0.00 -0.65 0.00 0.00 175.02 174.43 1kn0 n ALA 57 N 5.63 -0.06 -1.54 4.11 0.00 -0.12 -4.72 120.51 123.81 1kn0 n ALA 57 Ca -0.11 0.46 -0.28 0.00 0.00 0.00 0.00 53.44 53.51 1kn0 n ALA 57 Cb 0.43 -2.14 -0.08 0.00 0.00 0.00 0.00 19.45 17.66 1kn0 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kn0 n GLY 58 N 2.29 -0.10 2.09 0.00 0.00 -1.26 -1.20 105.19 107.01 1kn0 n GLY 58 Ca 0.15 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.72 1kn0 n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kn0 n GLY 59 N 6.28 2.25 0.00 -0.02 0.00 -1.26 -4.98 105.19 107.46 1kn0 n GLY 59 Ca 0.48 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1kn0 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kn0 n GLY 60 N 0.00 -2.10 0.00 -0.02 0.00 -0.34 -5.08 105.19 97.65 1kn0 n GLY 60 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1kn0 n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1kn0 n GLN 61 N -1.00 2.62 -2.84 1.61 3.00 -1.26 -4.31 117.38 115.21 1kn0 n GLN 61 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1kn0 n GLN 61 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.20 1kn0 n GLN 61 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1kn0 s LYS 62 N 1.51 4.34 -0.21 -1.09 2.20 -1.26 -0.95 119.74 124.28 1kn0 s LYS 62 Ca 0.00 1.12 -0.06 0.00 -0.36 0.00 0.00 55.97 56.67 1kn0 s LYS 62 Cb 0.00 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 1kn0 s LYS 62 CO 0.00 -0.31 0.02 0.08 -0.36 0.00 0.00 175.35 174.79 1kn0 s VAL 63 N 2.04 4.12 0.26 4.02 1.01 -0.35 -4.94 120.40 126.57 1kn0 s VAL 63 Ca 0.41 -0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 1kn0 s VAL 63 Cb -0.17 -2.88 -0.08 0.00 0.00 0.00 0.00 36.38 33.25 1kn0 s VAL 63 CO 0.14 0.41 0.62 0.00 0.00 0.00 0.00 175.10 176.27 1kn0 s TYR 65 N -1.87 -0.20 -0.17 0.00 -0.85 -1.00 -4.96 117.35 108.29 1kn0 s TYR 65 Ca 0.50 -0.14 -0.02 0.00 -0.52 0.00 0.00 57.07 56.89 1kn0 s TYR 65 Cb -0.11 0.65 -0.01 0.00 0.38 0.00 0.00 41.96 42.87 1kn0 s TYR 65 CO 0.20 -0.96 -0.10 0.42 -1.52 0.00 0.00 175.55 173.58 1kn0 s ILE 66 N -3.55 3.09 0.47 -3.49 1.01 -1.26 -1.20 121.20 116.26 1kn0 s ILE 66 Ca 0.10 -0.62 -0.24 0.00 0.00 0.00 0.00 60.65 59.89 1kn0 s ILE 66 Cb -0.03 -2.34 -0.08 0.00 0.01 0.00 0.00 42.46 40.02 1kn0 s ILE 66 CO 0.02 0.49 1.35 -0.62 0.00 0.00 0.00 174.94 176.17 1kn0 n GLU 67 N 4.16 1.98 -0.03 2.79 1.02 -1.26 -4.82 120.64 124.47 1kn0 n GLU 67 Ca -0.18 0.71 -0.14 0.00 -0.02 0.00 0.00 57.16 57.52 1kn0 n GLU 67 Cb 0.52 -2.52 -0.09 0.00 -0.02 0.00 0.00 31.44 29.32 1kn0 n GLU 67 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1kn0 h GLY 68 N 1.97 -1.11 0.65 0.62 0.00 -1.98 -1.26 103.07 101.96 1kn0 h GLY 68 Ca -0.50 0.69 0.14 0.00 0.00 0.00 0.00 47.33 47.66 1kn0 h GLY 68 CO 0.59 -0.21 0.54 1.12 0.00 0.00 0.00 176.54 178.59 1kn0 h HIS 69 N -0.52 0.00 0.62 5.60 2.07 -2.00 -0.42 115.15 120.51 1kn0 h HIS 69 Ca 0.04 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.53 1kn0 h HIS 69 Cb 0.63 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.61 1kn0 h HIS 69 CO -0.61 0.00 -0.30 0.00 -3.07 0.00 0.00 177.93 173.96 1kn0 h ARG 70 N 0.00 -0.80 -0.97 5.12 2.47 -1.59 -2.22 114.38 116.38 1kn0 h ARG 70 Ca 0.23 0.05 0.20 0.00 -1.26 0.00 0.00 59.98 59.21 1kn0 h ARG 70 Cb 1.30 0.18 -0.09 0.00 -1.65 0.00 0.00 29.97 29.72 1kn0 h ARG 70 CO -0.00 -0.53 0.62 0.28 0.56 0.00 0.00 179.97 180.89 1kn0 h VAL 71 N -1.12 0.67 0.82 2.04 2.07 -0.89 0.12 116.25 119.95 1kn0 h VAL 71 Ca -0.08 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 1kn0 h VAL 71 Cb 0.63 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1kn0 h VAL 71 CO 0.14 0.11 -0.39 0.40 0.02 0.00 0.00 177.57 177.84 1kn0 h ILE 72 N 0.59 0.00 -0.81 4.57 2.04 -1.24 -1.94 117.51 120.71 1kn0 h ILE 72 Ca 0.54 -0.09 0.12 0.00 1.00 0.00 0.00 64.86 66.43 1kn0 h ILE 72 Cb 1.08 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 1kn0 h ILE 72 CO -0.29 0.00 0.53 0.78 0.00 0.00 0.00 178.15 179.17 1kn0 h ASN 73 N -1.19 0.61 -0.18 1.72 2.35 -0.66 0.37 115.58 118.59 1kn0 h ASN 73 Ca -0.11 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.69 1kn0 h ASN 73 Cb 0.84 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 39.09 1kn0 h ASN 73 CO 0.18 0.34 0.02 -0.07 -1.65 0.00 0.00 177.43 176.25 1kn0 h LEU 74 N 0.66 -0.02 -0.26 1.61 3.38 -0.70 -1.73 115.31 118.24 1kn0 h LEU 74 Ca 0.39 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.38 1kn0 h LEU 74 Cb 0.60 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1kn0 h LEU 74 CO -0.16 0.01 0.12 0.00 0.09 0.00 0.00 178.44 178.51 1kn0 h ALA 75 N 1.14 0.34 -0.03 1.53 0.00 -0.20 -0.27 119.26 121.78 1kn0 h ALA 75 Ca 0.08 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1kn0 h ALA 75 Cb 0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1kn0 h ALA 75 CO -0.12 -0.09 0.06 -0.91 0.00 0.00 0.00 179.25 178.18 1kn0 h ASN 76 N 0.29 0.00 0.00 0.00 2.35 -0.83 -0.71 115.58 116.69 1kn0 h ASN 76 Ca 0.09 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.70 1kn0 h ASN 76 Cb 0.13 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1kn0 h ASN 76 CO -0.01 0.00 -0.80 -0.33 -1.65 0.00 0.00 177.43 174.64 1kn0 h GLU 77 N 0.00 0.00 -0.96 0.81 4.39 -0.58 -0.66 114.58 117.57 1kn0 h GLU 77 Ca 0.01 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.80 1kn0 h GLU 77 Cb 0.13 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.71 1kn0 h GLU 77 CO -0.00 0.94 0.61 0.52 -1.16 0.00 0.00 179.01 179.92 1kn0 h MET 78 N -1.00 1.02 0.00 2.33 2.86 -0.74 -3.31 114.93 116.09 1kn0 h MET 78 Ca -0.22 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1kn0 h MET 78 Cb 1.15 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.58 1kn0 h MET 78 CO -0.13 0.68 -0.51 1.19 1.06 0.00 0.00 176.91 179.20 1kn0 n PHE 79 N -4.58 0.00 0.00 -0.22 3.01 -0.30 -4.90 117.46 110.47 1kn0 n PHE 79 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.62 1kn0 n PHE 79 Cb 0.24 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 1kn0 n PHE 79 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1kn0 n GLY 80 N 1.43 0.32 0.53 1.37 0.00 -0.26 -3.23 105.19 105.35 1kn0 n GLY 80 Ca 0.00 -1.50 0.35 0.00 0.00 0.00 0.00 46.02 44.87 1kn0 n GLY 80 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1kn0 h TYR 81 N 0.00 0.01 -0.28 1.61 -0.00 -1.89 0.73 116.97 117.15 1kn0 h TYR 81 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.64 1kn0 h TYR 81 Cb 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 36.73 36.67 1kn0 h TYR 81 CO 0.00 0.00 -0.04 0.27 -0.00 0.00 0.00 178.16 178.39 1kn0 n ASN 82 N -4.18 3.06 -0.51 0.10 6.94 -1.26 -4.52 115.26 114.88 1kn0 n ASN 82 Ca 0.26 -3.40 0.06 0.00 -0.02 0.00 0.00 54.58 51.48 1kn0 n ASN 82 Cb 1.25 -0.58 0.06 0.00 -2.36 0.00 0.00 39.78 38.15 1kn0 n ASN 82 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1kn0 n GLY 83 N -0.90 0.14 3.22 4.83 0.00 0.25 -4.79 105.19 107.93 1kn0 n GLY 83 Ca 0.27 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 1kn0 n GLY 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1kn0 s TRP 84 N -1.00 0.06 0.17 1.61 1.48 -1.26 -1.76 118.94 118.24 1kn0 s TRP 84 Ca 0.15 -0.38 -0.17 0.00 -1.06 0.00 0.00 56.10 54.64 1kn0 s TRP 84 Cb 0.10 0.00 0.03 0.00 -1.16 0.00 0.00 33.47 32.45 1kn0 s TRP 84 CO 0.15 -0.53 0.48 0.00 -4.06 0.00 0.00 176.95 173.00 1kn0 s ALA 85 N -3.36 -0.94 0.04 2.67 0.00 0.14 -4.95 121.76 115.36 1kn0 s ALA 85 Ca 0.01 -0.15 -0.14 0.00 0.00 0.00 0.00 51.96 51.68 1kn0 s ALA 85 Cb 0.02 0.81 0.02 0.00 0.00 0.00 0.00 23.12 23.97 1kn0 s ALA 85 CO -0.08 -0.75 0.31 -3.38 0.00 0.00 0.00 175.76 171.86 1kn0 s HIS 86 N -3.85 -0.11 0.07 0.00 -3.43 -1.26 0.45 115.29 107.16 1kn0 s HIS 86 Ca 0.07 -0.01 -0.09 0.00 -0.80 0.00 0.00 55.06 54.23 1kn0 s HIS 86 Cb 0.00 0.10 0.00 0.00 -1.43 0.00 0.00 32.58 31.25 1kn0 s HIS 86 CO -0.06 -0.50 0.20 -1.54 -2.00 0.00 0.00 174.74 170.84 1kn0 s SER 87 N -2.03 0.08 -0.43 7.38 1.04 -0.32 -4.98 113.70 114.44 1kn0 s SER 87 Ca -0.05 -0.55 -0.18 0.00 0.48 0.00 0.00 55.95 55.65 1kn0 s SER 87 Cb -0.01 0.33 0.03 0.00 0.10 0.00 0.00 66.02 66.46 1kn0 s SER 87 CO -0.03 -0.68 0.47 -0.63 0.98 0.00 0.00 173.24 173.35 1kn0 s ILE 88 N -3.44 5.05 0.07 -1.02 1.01 -1.26 -1.09 121.20 120.52 1kn0 s ILE 88 Ca 0.02 -0.33 -0.20 0.00 0.00 0.00 0.00 60.65 60.14 1kn0 s ILE 88 Cb 0.03 -4.08 -0.10 0.00 0.01 0.00 0.00 42.46 38.32 1kn0 s ILE 88 CO -0.09 -0.48 1.51 0.74 0.00 0.00 0.00 174.94 176.63 1kn0 h THR 89 N 5.76 1.25 -1.61 2.92 2.02 -0.82 -3.47 112.91 118.96 1kn0 h THR 89 Ca -0.26 -0.86 0.06 0.00 0.77 0.00 0.00 66.41 66.11 1kn0 h THR 89 Cb 1.11 1.42 -0.24 0.00 -1.74 0.00 0.00 68.15 68.70 1kn0 h THR 89 CO 0.82 0.26 0.48 -1.58 0.37 0.00 0.00 175.52 175.87 1kn0 s GLN 90 N -5.00 0.60 -0.09 6.66 0.74 -1.17 -5.00 119.66 116.40 1kn0 s GLN 90 Ca -0.14 0.33 -0.00 0.00 0.05 0.00 0.00 55.36 55.60 1kn0 s GLN 90 Cb 0.07 0.29 0.02 0.00 1.10 0.00 0.00 33.01 34.49 1kn0 s GLN 90 CO 0.73 -0.15 -0.06 -1.14 -0.55 0.00 0.00 175.29 174.12 1kn0 s GLN 91 N -0.60 1.30 -0.12 1.67 0.74 -1.26 0.46 119.66 121.85 1kn0 s GLN 91 Ca -0.01 -0.19 0.02 0.00 0.05 0.00 0.00 55.36 55.24 1kn0 s GLN 91 Cb -0.02 -1.38 0.01 0.00 1.10 0.00 0.00 33.01 32.72 1kn0 s GLN 91 CO -0.01 -0.23 -0.19 1.21 -0.55 0.00 0.00 175.29 175.53 1kn0 s ASN 92 N 1.58 2.81 -0.55 6.67 2.47 -0.26 -5.00 114.94 122.66 1kn0 s ASN 92 Ca 0.01 -0.52 -0.28 0.00 0.42 0.00 0.00 52.86 52.49 1kn0 s ASN 92 Cb -0.13 -1.29 0.01 0.00 -1.45 0.00 0.00 41.25 38.40 1kn0 s ASN 92 CO -0.06 0.06 1.41 -0.69 -3.72 0.00 0.00 177.10 174.11 1kn0 s VAL 93 N 0.84 3.80 0.16 -5.21 1.01 -1.26 -1.68 120.40 118.04 1kn0 s VAL 93 Ca -0.08 0.69 -0.16 0.00 0.00 0.00 0.00 61.98 62.43 1kn0 s VAL 93 Cb -0.15 -4.43 0.03 0.00 0.00 0.00 0.00 36.38 31.82 1kn0 s VAL 93 CO -0.01 -1.15 1.80 0.44 0.00 0.00 0.00 175.10 176.19 1kn0 h ASP 94 N 11.04 0.52 -4.70 3.32 3.32 -0.52 -3.47 116.42 125.93 1kn0 h ASP 94 Ca -0.27 -0.04 0.06 0.00 0.02 0.00 0.00 57.03 56.81 1kn0 h ASP 94 Cb 1.09 -0.13 -0.16 0.00 0.22 0.00 0.00 39.33 40.36 1kn0 h ASP 94 CO 1.17 0.40 0.41 0.72 -1.72 0.00 0.00 179.24 180.22 1kn0 s PHE 95 N -6.07 -0.42 -0.34 4.55 -0.12 -1.03 -4.98 117.98 109.57 1kn0 s PHE 95 Ca -0.13 0.35 -0.00 0.00 -0.05 0.00 0.00 56.93 57.10 1kn0 s PHE 95 Cb 0.11 0.52 0.14 0.00 -0.63 0.00 0.00 43.02 43.16 1kn0 s PHE 95 CO 0.73 -0.60 0.22 0.08 -0.05 0.00 0.00 175.22 175.61 1kn0 s VAL 96 N -2.91 0.05 0.12 -2.49 1.01 -1.26 -2.19 120.40 112.73 1kn0 s VAL 96 Ca 0.02 -1.50 -0.03 0.00 0.00 0.00 0.00 61.98 60.47 1kn0 s VAL 96 Cb -0.01 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 1kn0 s VAL 96 CO -0.07 -0.91 0.33 -1.81 0.00 0.00 0.00 175.10 172.63 1kn0 s ASP 97 N 1.25 6.45 -0.24 3.32 1.01 -0.84 -4.95 116.67 122.67 1kn0 s ASP 97 Ca 0.17 0.49 0.02 0.00 0.71 0.00 0.00 52.55 53.93 1kn0 s ASP 97 Cb -0.21 -2.05 0.06 0.00 1.01 0.00 0.00 42.92 41.73 1kn0 s ASP 97 CO -0.04 0.08 -0.08 -0.22 0.21 0.00 0.00 175.17 175.12 1kn0 s LEU 98 N -2.64 2.86 -0.33 1.23 2.96 -1.26 -1.02 118.68 120.48 1kn0 s LEU 98 Ca 0.39 -1.23 -0.00 0.00 -0.22 0.00 0.00 54.13 53.07 1kn0 s LEU 98 Cb -0.12 -1.31 0.07 0.00 0.50 0.00 0.00 46.19 45.33 1kn0 s LEU 98 CO 0.26 -0.21 0.04 0.20 -1.32 0.00 0.00 176.35 175.32 1kn0 s ASN 99 N 1.29 4.90 -0.42 3.68 0.01 -0.01 -4.85 114.94 119.54 1kn0 s ASN 99 Ca -0.07 -1.62 -0.35 0.00 -0.71 0.00 0.00 52.86 50.11 1kn0 s ASN 99 Cb -0.19 -1.70 0.05 0.00 0.41 0.00 0.00 41.25 39.82 1kn0 s ASN 99 CO -0.06 -0.34 0.62 -0.46 -1.51 0.00 0.00 177.10 175.35 1kn0 n ASN 100 N 4.53 -5.74 0.00 -1.22 6.94 -1.26 -1.90 115.26 116.61 1kn0 n ASN 100 Ca -0.08 -0.07 0.00 0.00 -0.02 0.00 0.00 54.58 54.41 1kn0 n ASN 100 Cb 0.42 -1.90 0.00 0.00 -2.36 0.00 0.00 39.78 35.94 1kn0 n ASN 100 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1kn0 n GLY 101 N -0.09 0.00 3.52 4.83 0.00 -1.26 -4.93 105.19 107.26 1kn0 n GLY 101 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1kn0 n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kn0 s LYS 102 N -0.85 2.52 -0.17 1.61 1.02 -0.80 -4.38 119.74 118.69 1kn0 s LYS 102 Ca 0.00 -0.70 -0.07 0.00 0.02 0.00 0.00 55.97 55.22 1kn0 s LYS 102 Cb 0.00 -2.43 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 1kn0 s LYS 102 CO 0.00 0.62 0.08 -0.06 -0.92 0.00 0.00 175.35 175.07 1kn0 s PHE 103 N -0.82 3.32 -0.40 3.18 0.40 -0.53 -0.83 117.98 122.29 1kn0 s PHE 103 Ca 0.13 0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.66 1kn0 s PHE 103 Cb -0.11 -2.05 0.11 0.00 0.51 0.00 0.00 43.02 41.49 1kn0 s PHE 103 CO 0.03 0.29 0.15 0.71 0.70 0.00 0.00 175.22 177.09 1kn0 s TYR 104 N 0.06 3.62 -0.13 0.36 1.51 -0.18 -3.62 117.35 118.97 1kn0 s TYR 104 Ca 0.06 -2.83 -0.03 0.00 -1.01 0.00 0.00 57.07 53.26 1kn0 s TYR 104 Cb -0.12 -3.02 -0.03 0.00 -0.11 0.00 0.00 41.96 38.68 1kn0 s TYR 104 CO 0.00 -0.92 -0.02 0.08 -1.11 0.00 0.00 175.55 173.58 1kn0 s VAL 105 N 0.76 4.10 -0.16 0.71 1.01 0.12 -1.99 120.40 124.96 1kn0 s VAL 105 Ca 0.11 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1kn0 s VAL 105 Cb -0.21 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.43 1kn0 s VAL 105 CO -0.06 0.54 -0.15 -0.83 0.00 0.00 0.00 175.10 174.61 1kn0 s GLY 106 N -0.18 1.19 0.02 4.51 0.00 -0.93 -2.40 107.32 109.53 1kn0 s GLY 106 Ca 0.04 -1.00 0.05 0.00 0.00 0.00 0.00 44.72 43.81 1kn0 s GLY 106 CO 0.02 0.51 -0.15 0.14 0.00 0.00 0.00 173.10 173.62 1kn0 s VAL 107 N 1.44 1.20 0.05 1.40 1.01 -0.29 0.28 120.40 125.49 1kn0 s VAL 107 Ca 0.04 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1kn0 s VAL 107 Cb -0.13 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1kn0 s VAL 107 CO -0.11 0.16 -0.21 0.00 0.00 0.00 0.00 175.10 174.94 1kn0 s ALA 109 N -0.84 0.12 -0.28 0.00 0.00 -0.17 -1.10 121.76 119.49 1kn0 s ALA 109 Ca 0.08 -0.08 -0.08 0.00 0.00 0.00 0.00 51.96 51.88 1kn0 s ALA 109 Cb -0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1kn0 s ALA 109 CO 0.02 0.02 0.09 -0.06 0.00 0.00 0.00 175.76 175.83 1kn0 s PHE 110 N -0.09 3.12 -0.03 0.00 0.40 0.17 0.83 117.98 122.38 1kn0 s PHE 110 Ca -0.00 -0.68 0.04 0.00 -0.60 0.00 0.00 56.93 55.69 1kn0 s PHE 110 Cb -0.01 -2.27 -0.03 0.00 0.51 0.00 0.00 43.02 41.23 1kn0 s PHE 110 CO -0.00 -0.47 -0.16 0.08 0.70 0.00 0.00 175.22 175.37 1kn0 s VAL 111 N 1.57 2.95 -0.11 -0.44 1.01 -0.51 -0.04 120.40 124.82 1kn0 s VAL 111 Ca 0.05 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1kn0 s VAL 111 Cb -0.16 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.07 1kn0 s VAL 111 CO 0.04 0.55 -0.21 -0.60 0.00 0.00 0.00 175.10 174.87 1kn0 s ARG 112 N -0.83 2.82 -0.07 2.72 3.52 -0.25 -1.05 118.95 125.81 1kn0 s ARG 112 Ca 0.12 -0.79 0.01 0.00 -0.13 0.00 0.00 55.73 54.93 1kn0 s ARG 112 Cb -0.11 -2.20 -0.03 0.00 -1.56 0.00 0.00 34.95 31.06 1kn0 s ARG 112 CO 0.01 0.09 -0.08 0.08 -0.81 0.00 0.00 175.30 174.59 1kn0 s VAL 113 N 0.55 3.56 -0.02 7.11 1.01 0.13 -1.17 120.40 131.57 1kn0 s VAL 113 Ca -0.14 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1kn0 s VAL 113 Cb -0.17 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.76 1kn0 s VAL 113 CO 0.05 0.59 -0.06 -1.58 0.00 0.00 0.00 175.10 174.09 1kn0 s GLN 114 N -0.67 0.72 0.55 2.72 0.74 0.17 -1.03 119.66 122.86 1kn0 s GLN 114 Ca 0.10 -0.21 -0.03 0.00 0.05 0.00 0.00 55.36 55.28 1kn0 s GLN 114 Cb -0.11 -0.70 0.01 0.00 1.10 0.00 0.00 33.01 33.31 1kn0 s GLN 114 CO 0.02 0.06 0.82 -0.51 -0.55 0.00 0.00 175.29 175.12 1kn0 s LEU 115 N 0.28 3.34 0.46 3.68 1.43 0.08 0.29 118.68 128.24 1kn0 s LEU 115 Ca -0.04 0.46 0.31 0.00 -1.03 0.00 0.00 54.13 53.83 1kn0 s LEU 115 Cb -0.08 -3.29 1.66 0.00 0.03 0.00 0.00 46.19 44.51 1kn0 s LEU 115 CO 0.00 -1.00 1.93 0.07 0.23 0.00 0.00 176.35 177.59 1kn0 h LYS 116 N 0.01 0.00 -0.21 1.70 2.10 -1.65 -2.03 116.57 116.49 1kn0 h LYS 116 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1kn0 h LYS 116 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1kn0 h LYS 116 CO 0.58 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.63 1kn0 n ASP 117 N -2.58 2.43 0.00 7.07 5.75 -1.21 -0.19 116.55 127.82 1kn0 n ASP 117 Ca -0.02 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 1kn0 n ASP 117 Cb 0.06 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 1kn0 n ASP 117 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kn0 n GLY 118 N 1.29 1.23 3.75 6.12 0.00 -0.76 -4.78 105.19 112.04 1kn0 n GLY 118 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1kn0 n GLY 118 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kn0 n SER 119 N 0.00 3.09 -3.62 1.61 2.88 -1.26 -4.78 113.62 111.55 1kn0 n SER 119 Ca 0.00 1.09 -0.13 0.00 -1.33 0.00 0.00 58.87 58.51 1kn0 n SER 119 Cb 0.00 -1.58 -0.05 0.00 -0.75 0.00 0.00 64.21 61.82 1kn0 n SER 119 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1kn0 s TYR 120 N -1.21 -0.32 -0.04 0.66 -0.85 -1.26 -0.74 117.35 113.58 1kn0 s TYR 120 Ca 0.63 0.24 -0.08 0.00 -0.52 0.00 0.00 57.07 57.34 1kn0 s TYR 120 Cb -0.45 0.28 0.01 0.00 0.38 0.00 0.00 41.96 42.18 1kn0 s TYR 120 CO 0.56 -0.63 0.20 -1.01 -1.52 0.00 0.00 175.55 173.15 1kn0 s HIS 121 N -2.79 -0.13 0.01 -3.49 3.76 -0.20 -5.00 115.29 107.46 1kn0 s HIS 121 Ca -0.03 0.30 0.03 0.00 -0.15 0.00 0.00 55.06 55.20 1kn0 s HIS 121 Cb -0.00 0.04 -0.01 0.00 1.11 0.00 0.00 32.58 33.71 1kn0 s HIS 121 CO -0.05 -0.20 -0.08 -2.00 -0.85 0.00 0.00 174.74 171.56 1kn0 s GLU 122 N -0.56 0.60 0.22 1.40 2.12 -1.26 0.17 118.70 121.40 1kn0 s GLU 122 Ca -0.06 -0.46 -0.11 0.00 0.36 0.00 0.00 54.97 54.69 1kn0 s GLU 122 Cb -0.04 -0.53 -0.01 0.00 0.26 0.00 0.00 34.13 33.81 1kn0 s GLU 122 CO 0.01 0.13 0.41 0.34 -0.54 0.00 0.00 175.26 175.62 1kn0 s ASP 123 N -0.69 -0.06 0.01 -1.70 -1.08 -0.21 -4.91 116.67 108.03 1kn0 s ASP 123 Ca -0.01 -0.93 -0.15 0.00 -0.52 0.00 0.00 52.55 50.95 1kn0 s ASP 123 Cb -0.05 0.54 -0.06 0.00 -1.46 0.00 0.00 42.92 41.89 1kn0 s ASP 123 CO 0.00 -1.06 0.41 -0.69 0.52 0.00 0.00 175.17 174.35 1kn0 s VAL 124 N -4.01 5.03 0.23 1.11 1.01 -1.26 -1.43 120.40 121.07 1kn0 s VAL 124 Ca 0.22 0.83 0.11 0.00 0.00 0.00 0.00 61.98 63.14 1kn0 s VAL 124 Cb 0.01 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1kn0 s VAL 124 CO 0.07 0.57 -0.20 -0.83 0.00 0.00 0.00 175.10 174.70 1kn0 s GLY 125 N -1.11 1.77 -0.02 4.51 0.00 0.24 -4.45 107.32 108.27 1kn0 s GLY 125 Ca 0.24 -1.71 0.01 0.00 0.00 0.00 0.00 44.72 43.26 1kn0 s GLY 125 CO 0.14 -1.76 -0.04 -0.47 0.00 0.00 0.00 173.10 170.96 1kn0 s TYR 126 N -2.01 0.47 0.01 1.90 5.04 -1.24 -1.00 117.35 120.53 1kn0 s TYR 126 Ca 0.25 -0.09 0.07 0.00 -2.44 0.00 0.00 57.07 54.86 1kn0 s TYR 126 Cb -0.07 -0.38 -0.03 0.00 0.35 0.00 0.00 41.96 41.83 1kn0 s TYR 126 CO 0.13 -0.07 -0.20 0.20 -1.34 0.00 0.00 175.55 174.27 1kn0 s GLY 127 N 0.31 1.48 0.05 8.97 0.00 0.23 -3.88 107.32 114.47 1kn0 s GLY 127 Ca -0.03 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.54 1kn0 s GLY 127 CO -0.00 -1.01 -0.06 0.14 0.00 0.00 0.00 173.10 172.16 1kn0 s VAL 128 N -0.81 0.44 -0.27 1.40 1.01 -1.26 -1.14 120.40 119.76 1kn0 s VAL 128 Ca 0.13 -1.31 -0.06 0.00 0.00 0.00 0.00 61.98 60.73 1kn0 s VAL 128 Cb -0.10 -0.87 0.14 0.00 0.00 0.00 0.00 36.38 35.54 1kn0 s VAL 128 CO 0.03 -0.59 0.55 -0.55 0.00 0.00 0.00 175.10 174.54 1kn0 s SER 129 N -2.03 -0.83 0.00 3.32 0.15 -1.01 -4.31 113.70 108.99 1kn0 s SER 129 Ca -0.05 1.11 0.00 0.00 0.70 0.00 0.00 55.95 57.72 1kn0 s SER 129 Cb -0.05 1.91 0.00 0.00 -1.71 0.00 0.00 66.02 66.17 1kn0 s SER 129 CO -0.02 -0.24 0.21 -0.62 1.20 0.00 0.00 173.24 173.77 1kn0 n GLU 130 N 5.42 3.08 0.00 5.44 1.02 -1.25 0.12 120.64 134.47 1kn0 n GLU 130 Ca -0.08 -0.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.85 1kn0 n GLU 130 Cb 0.50 -0.69 0.00 0.00 -0.02 0.00 0.00 31.44 31.23 1kn0 n GLU 130 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kn0 n GLY 131 N 0.50 -0.35 0.00 0.62 0.00 -1.24 -4.54 105.19 100.19 1kn0 n GLY 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1kn0 n GLY 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kn0 n LEU 132 N -2.23 0.00 0.05 0.99 4.77 -1.26 -3.56 117.00 115.76 1kn0 n LEU 132 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1kn0 n LEU 132 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1kn0 n LEU 132 CO 0.00 0.00 -0.33 0.29 -1.33 0.00 0.00 177.39 176.02 1kn0 n LYS 133 N 0.00 0.63 -2.95 3.23 5.02 -1.26 -1.46 118.16 121.37 1kn0 n LYS 133 Ca 0.00 -0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 1kn0 n LYS 133 Cb 0.00 -1.69 -0.04 0.00 -0.02 0.00 0.00 35.03 33.28 1kn0 n LYS 133 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1kn0 s SER 134 N -5.00 6.96 -0.01 4.39 0.15 -1.26 -4.78 113.70 114.15 1kn0 s SER 134 Ca -0.04 1.17 -0.25 0.00 0.70 0.00 0.00 55.95 57.53 1kn0 s SER 134 Cb 0.11 -2.44 -0.18 0.00 -1.71 0.00 0.00 66.02 61.80 1kn0 s SER 134 CO 0.84 -0.29 1.25 0.50 1.20 0.00 0.00 173.24 176.74 1kn0 h LYS 135 N 7.15 -0.13 -0.32 5.44 3.64 -1.98 -2.05 116.57 128.32 1kn0 h LYS 135 Ca -0.34 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.12 1kn0 h LYS 135 Cb 1.16 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.92 1kn0 h LYS 135 CO 0.80 0.26 -0.33 0.00 -2.27 0.00 0.00 179.45 177.91 1kn0 h ALA 136 N 0.27 -0.26 -0.25 5.00 0.00 -2.00 -0.86 119.26 121.16 1kn0 h ALA 136 Ca -0.01 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1kn0 h ALA 136 Cb 0.46 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1kn0 h ALA 136 CO 0.02 -0.76 0.03 -0.07 0.00 0.00 0.00 179.25 178.47 1kn0 h LEU 137 N -0.30 0.33 -0.58 0.00 4.07 -1.98 -0.97 115.31 115.88 1kn0 h LEU 137 Ca 0.15 -0.04 -0.10 0.00 0.08 0.00 0.00 57.88 57.96 1kn0 h LEU 137 Cb 0.54 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.18 1kn0 h LEU 137 CO -0.49 0.37 -0.03 0.28 -1.08 0.00 0.00 178.44 177.49 1kn0 h SER 138 N 0.36 1.04 -0.02 -0.43 0.02 -0.43 -2.17 113.55 111.91 1kn0 h SER 138 Ca 0.08 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 1kn0 h SER 138 Cb 0.20 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1kn0 h SER 138 CO 0.00 1.11 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.68 1kn0 h LEU 139 N 0.94 0.08 -0.85 5.07 3.38 -0.97 -1.94 115.31 121.02 1kn0 h LEU 139 Ca 0.16 -0.60 0.18 0.00 0.09 0.00 0.00 57.88 57.71 1kn0 h LEU 139 Cb 0.60 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.21 1kn0 h LEU 139 CO 0.04 0.67 0.38 -0.08 0.09 0.00 0.00 178.44 179.54 1kn0 h GLU 140 N -0.50 0.45 0.26 1.13 4.81 -1.19 0.32 114.58 119.86 1kn0 h GLU 140 Ca -0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1kn0 h GLU 140 Cb 0.66 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1kn0 h GLU 140 CO 0.01 0.30 -0.13 -0.22 -0.73 0.00 0.00 179.01 178.25 1kn0 h LYS 141 N 0.47 -0.34 -0.73 1.92 3.11 -1.37 -2.22 116.57 117.41 1kn0 h LYS 141 Ca 0.50 0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 58.33 1kn0 h LYS 141 Cb 0.84 0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 32.12 1kn0 h LYS 141 CO -0.46 -0.03 0.34 0.00 -2.81 0.00 0.00 179.45 176.49 1kn0 h ALA 142 N -0.02 1.22 0.08 5.00 0.00 -0.48 -1.29 119.26 123.77 1kn0 h ALA 142 Ca -0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1kn0 h ALA 142 Cb 0.46 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1kn0 h ALA 142 CO 0.06 0.59 -0.04 0.00 0.00 0.00 0.00 179.25 179.86 1kn0 h ARG 143 N 1.04 -0.10 -0.56 0.00 3.08 -0.46 -1.76 114.38 115.62 1kn0 h ARG 143 Ca 0.25 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.31 1kn0 h ARG 143 Cb 0.13 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 1kn0 h ARG 143 CO -0.03 0.29 0.35 0.87 -1.07 0.00 0.00 179.97 180.37 1kn0 h LYS 144 N -0.51 0.76 -0.47 0.04 1.57 -1.33 -2.77 116.57 113.88 1kn0 h LYS 144 Ca -0.01 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1kn0 h LYS 144 Cb 0.43 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1kn0 h LYS 144 CO 0.02 0.54 0.09 0.93 -0.57 0.00 0.00 179.45 180.45 1kn0 h GLU 145 N 0.76 0.76 -0.82 3.15 5.08 -1.27 -2.36 114.58 119.87 1kn0 h GLU 145 Ca 0.20 -0.20 0.14 0.00 -1.00 0.00 0.00 59.36 58.50 1kn0 h GLU 145 Cb -0.03 -0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.03 1kn0 h GLU 145 CO -0.04 0.76 0.42 0.00 -1.00 0.00 0.00 179.01 179.15 1kn0 h ALA 146 N 0.96 1.21 0.73 3.43 0.00 -1.07 0.46 119.26 124.98 1kn0 h ALA 146 Ca 0.14 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1kn0 h ALA 146 Cb 0.36 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1kn0 h ALA 146 CO 0.01 -0.08 -0.35 0.28 0.00 0.00 0.00 179.25 179.10 1kn0 h VAL 147 N 0.62 0.09 -0.78 0.00 2.07 -1.29 0.08 116.25 117.04 1kn0 h VAL 147 Ca 0.44 -0.25 0.09 0.00 0.82 0.00 0.00 66.70 67.81 1kn0 h VAL 147 Cb 0.59 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.41 1kn0 h VAL 147 CO -0.35 0.01 0.42 0.74 0.02 0.00 0.00 177.57 178.42 1kn0 h THR 148 N -1.21 0.88 -0.37 2.57 2.02 -1.01 0.32 112.91 116.11 1kn0 h THR 148 Ca -0.10 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 1kn0 h THR 148 Cb 0.77 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1kn0 h THR 148 CO 0.16 0.13 0.21 -0.78 0.37 0.00 0.00 175.52 175.62 1kn0 h ASP 149 N 0.71 0.44 0.07 4.18 3.58 -0.01 0.42 116.42 125.81 1kn0 h ASP 149 Ca 0.38 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.80 1kn0 h ASP 149 Cb 0.37 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1kn0 h ASP 149 CO -0.26 0.35 -0.03 1.23 -2.88 0.00 0.00 179.24 177.65 1kn0 h GLY 150 N 0.56 -0.10 0.44 -0.78 0.00 0.15 -1.32 103.07 102.02 1kn0 h GLY 150 Ca 0.13 0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.59 1kn0 h GLY 150 CO -0.02 -0.04 0.30 -2.00 0.00 0.00 0.00 176.54 174.78 1kn0 h LEU 151 N -0.54 0.36 0.20 3.11 5.85 0.06 -0.25 115.31 124.11 1kn0 h LEU 151 Ca -0.01 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1kn0 h LEU 151 Cb 0.46 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1kn0 h LEU 151 CO 0.02 0.21 -0.10 0.11 -0.34 0.00 0.00 178.44 178.34 1kn0 h LYS 152 N 0.52 -0.26 -0.20 1.25 1.57 -0.91 -1.95 116.57 116.58 1kn0 h LYS 152 Ca 0.33 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.19 1kn0 h LYS 152 Cb 0.37 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1kn0 h LYS 152 CO -0.28 -0.06 0.17 0.00 -0.57 0.00 0.00 179.45 178.71 1kn0 h ARG 153 N -0.41 0.00 -0.01 3.15 3.08 -0.68 -1.98 114.38 117.53 1kn0 h ARG 153 Ca -0.03 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1kn0 h ARG 153 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1kn0 h ARG 153 CO 0.04 0.00 -0.17 0.00 -1.07 0.00 0.00 179.97 178.77 1kn0 h ALA 154 N 1.85 0.04 -0.06 0.04 0.00 -0.73 -3.27 119.26 117.13 1kn0 h ALA 154 Ca 0.10 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1kn0 h ALA 154 Cb 0.43 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1kn0 h ALA 154 CO -0.00 0.02 -0.02 -0.07 0.00 0.00 0.00 179.25 179.18 1kn0 h LEU 155 N -0.53 0.08 -1.92 0.00 3.38 -0.79 -2.00 115.31 113.52 1kn0 h LEU 155 Ca -0.02 -0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.14 1kn0 h LEU 155 Cb 0.90 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 1kn0 h LEU 155 CO 0.03 0.12 0.49 0.03 0.09 0.00 0.00 178.44 179.21 1kn0 h ARG 156 N 0.09 0.07 0.00 1.13 3.08 -1.42 0.49 114.38 117.82 1kn0 h ARG 156 Ca 0.02 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1kn0 h ARG 156 Cb 0.10 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1kn0 h ARG 156 CO 0.00 0.05 -0.02 0.77 -1.07 0.00 0.00 179.97 179.70 1kn0 h SER 157 N 0.08 0.00 1.29 7.04 0.02 -1.50 -2.21 113.55 118.27 1kn0 h SER 157 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1kn0 h SER 157 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1kn0 h SER 157 CO -0.03 0.02 0.00 -0.26 -1.14 0.00 0.00 176.83 175.42 1kn0 h PHE 158 N 0.00 0.00 0.00 3.45 0.05 -1.08 -3.49 116.94 115.87 1kn0 h PHE 158 Ca -0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1kn0 h PHE 158 Cb 0.09 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.04 1kn0 h PHE 158 CO 0.00 0.00 0.00 0.41 -0.18 0.00 0.00 178.31 178.54 1kn0 n GLY 159 N 0.67 1.16 0.23 -1.45 0.00 -0.83 -4.94 105.19 100.03 1kn0 n GLY 159 Ca 0.03 -1.63 -0.06 0.00 0.00 0.00 0.00 46.02 44.36 1kn0 n GLY 159 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1kn0 h ASN 160 N 0.00 0.63 0.00 1.61 2.35 -1.57 -2.15 115.58 116.45 1kn0 h ASN 160 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1kn0 h ASN 160 Cb 0.00 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.22 1kn0 h ASN 160 CO 0.00 0.45 0.17 0.00 -1.65 0.00 0.00 177.43 176.40 1kn0 h ALA 161 N 1.22 1.14 -0.20 -0.83 0.00 -0.20 0.25 119.26 120.63 1kn0 h ALA 161 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1kn0 h ALA 161 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1kn0 h ALA 161 CO -0.06 -0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.33 1kn0 n LEU 162 N -2.44 3.19 0.00 0.00 4.77 -1.02 -4.92 117.00 116.58 1kn0 n LEU 162 Ca -0.02 -2.72 0.00 0.00 -0.03 0.00 0.00 56.01 53.24 1kn0 n LEU 162 Cb 0.21 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1kn0 n LEU 162 CO 0.11 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 1kn0 n GLY 163 N -0.48 1.05 0.18 -0.72 0.00 0.86 -3.86 105.19 102.23 1kn0 n GLY 163 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.32 1kn0 n GLY 163 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1kn0 h ASN 164 N 0.00 0.00 0.63 1.61 -1.24 -1.29 -2.48 115.58 112.81 1kn0 h ASN 164 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.75 1kn0 h ASN 164 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1kn0 h ASN 164 CO 0.00 0.00 -1.16 0.00 -1.29 0.00 0.00 177.43 174.98 1kn0 h ILE 166 N 0.09 0.00 0.05 0.00 6.09 -1.77 1.25 117.51 123.23 1kn0 h ILE 166 Ca -0.11 0.00 -0.33 0.00 -1.37 0.00 0.00 64.86 63.05 1kn0 h ILE 166 Cb 1.88 0.12 -0.04 0.00 0.47 0.00 0.00 36.82 39.25 1kn0 h ILE 166 CO 0.19 0.00 -1.86 0.18 -3.07 0.00 0.00 178.15 173.59 1kn0 n LEU 167 N -2.61 1.64 -4.64 2.19 4.77 -1.24 -4.90 117.00 112.21 1kn0 n LEU 167 Ca 0.01 0.31 -0.48 0.00 -0.03 0.00 0.00 56.01 55.82 1kn0 n LEU 167 Cb 0.91 -0.39 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1kn0 n LEU 167 CO 0.04 0.60 1.59 -0.67 -1.33 0.00 0.00 177.39 177.62 1kn0 n ASP 168 N -3.23 3.25 -0.11 -1.43 -0.08 0.43 -4.88 116.55 110.49 1kn0 n ASP 168 Ca -0.24 0.79 -0.10 0.00 -1.51 0.00 0.00 54.79 53.72 1kn0 n ASP 168 Cb 1.05 -1.38 -0.02 0.00 2.34 0.00 0.00 41.12 43.11 1kn0 n ASP 168 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1kn0 h LYS 169 N 10.51 0.55 -0.91 -0.67 1.57 -1.90 -1.80 116.57 123.92 1kn0 h LYS 169 Ca -0.44 -0.15 0.06 0.00 -1.87 0.00 0.00 60.65 58.25 1kn0 h LYS 169 Cb 1.27 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.46 1kn0 h LYS 169 CO 0.96 0.64 0.59 -0.44 -0.57 0.00 0.00 179.45 180.63 1kn0 h ASP 170 N 0.38 0.92 -0.33 0.86 3.32 -1.95 -1.30 116.42 118.32 1kn0 h ASP 170 Ca 0.10 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1kn0 h ASP 170 Cb 0.36 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1kn0 h ASP 170 CO 0.01 0.59 0.21 0.22 -1.72 0.00 0.00 179.24 178.55 1kn0 h TYR 171 N 1.05 0.43 0.21 4.55 3.20 -1.77 -2.90 116.97 121.74 1kn0 h TYR 171 Ca 0.39 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.26 1kn0 h TYR 171 Cb 0.18 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1kn0 h TYR 171 CO -0.00 0.30 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.58 1kn0 h LEU 172 N 0.44 -0.43 -0.73 2.82 3.38 -0.41 -2.78 115.31 117.59 1kn0 h LEU 172 Ca 0.12 0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.27 1kn0 h LEU 172 Cb -0.01 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 40.78 1kn0 h LEU 172 CO -0.02 -0.26 0.25 0.03 0.09 0.00 0.00 178.44 178.53 1kn0 h ARG 173 N -0.39 0.36 0.00 1.13 3.08 -1.33 0.53 114.38 117.76 1kn0 h ARG 173 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1kn0 h ARG 173 Cb 0.35 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1kn0 h ARG 173 CO -0.01 0.24 0.00 0.43 -1.07 0.00 0.00 179.97 179.56 1kn0 n SER 174 N -5.06 0.59 0.11 7.04 7.64 -1.08 -1.98 113.62 120.88 1kn0 n SER 174 Ca 0.14 0.72 -0.24 0.00 1.01 0.00 0.00 58.87 60.50 1kn0 n SER 174 Cb 0.42 -0.82 -0.15 0.00 -1.01 0.00 0.00 64.21 62.65 1kn0 n SER 174 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1kn0 h LEU 175 N 0.00 0.73 -0.65 -3.43 3.38 0.32 -3.33 115.31 112.34 1kn0 h LEU 175 Ca 0.00 -0.92 -0.07 0.00 0.09 0.00 0.00 57.88 56.98 1kn0 h LEU 175 Cb 0.13 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1kn0 h LEU 175 CO 0.00 1.75 0.12 0.78 0.09 0.00 0.00 178.44 181.17 1kn0 h ASN 176 N 0.13 1.02 0.00 -0.43 2.35 -1.10 -2.19 115.58 115.35 1kn0 h ASN 176 Ca -0.30 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.20 1kn0 h ASN 176 Cb 2.14 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 40.24 1kn0 h ASN 176 CO 0.23 1.01 0.00 0.29 -1.65 0.00 0.00 177.43 177.31 1kn0 n LYS 177 N -4.26 0.52 -4.31 0.81 5.02 -0.97 -4.71 118.16 110.26 1kn0 n LYS 177 Ca 0.04 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.10 1kn0 n LYS 177 Cb 0.28 -1.25 -0.12 0.00 -0.02 0.00 0.00 35.03 33.92 1kn0 n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1kn0 s LEU 178 N 0.00 2.36 -0.44 -0.35 1.43 -0.82 -5.04 118.68 115.81 1kn0 s LEU 178 Ca 0.00 -0.77 -0.29 0.00 -1.03 0.00 0.00 54.13 52.05 1kn0 s LEU 178 Cb 0.00 -0.86 -0.09 0.00 0.03 0.00 0.00 46.19 45.27 1kn0 s LEU 178 CO 0.00 0.02 2.36 -2.65 0.23 0.00 0.00 176.35 176.30 1kn0 n PRO 179 N 0.73 1.18 -1.68 1.29 -0.02 -1.26 -4.81 135.00 130.43 1kn0 n PRO 179 Ca -0.17 0.19 -0.17 0.00 -2.02 0.00 0.00 63.50 61.34 1kn0 n PRO 179 Cb 0.55 -3.02 -0.10 0.00 -0.02 0.00 0.00 33.50 30.91 1kn0 n PRO 179 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1kn0 s ARG 180 N 7.48 1.47 1.00 -0.52 3.00 -1.26 -4.89 118.95 125.23 1kn0 s ARG 180 Ca 1.05 -0.37 -0.11 0.00 -1.00 0.00 0.00 55.73 55.30 1kn0 s ARG 180 Cb -0.45 -4.99 0.19 0.00 0.00 0.00 0.00 34.95 29.71 1kn0 s ARG 180 CO 0.35 -5.05 1.09 0.00 0.00 0.00 0.00 175.30 171.68 1kn0 n GLN 181 N 8.32 -1.11 -3.92 5.12 10.64 -1.26 -5.02 117.38 130.15 1kn0 n GLN 181 Ca 0.43 -0.27 -0.31 0.00 -1.83 0.00 0.00 57.00 55.01 1kn0 n GLN 181 Cb 0.46 -2.30 -0.04 0.00 -0.86 0.00 0.00 30.24 27.50 1kn0 n GLN 181 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1kn0 s LEU 182 N -6.70 4.35 0.10 2.61 2.96 -1.26 -5.03 118.68 115.71 1kn0 s LEU 182 Ca 0.67 0.28 -0.23 0.00 -0.22 0.00 0.00 54.13 54.64 1kn0 s LEU 182 Cb -0.24 -2.89 -0.13 0.00 0.50 0.00 0.00 46.19 43.44 1kn0 s LEU 182 CO 0.61 0.19 0.49 -2.65 -1.32 0.00 0.00 176.35 173.67 1kn0 n PRO 183 N 0.42 0.00 -2.58 0.98 -0.02 -1.26 -4.87 135.00 127.67 1kn0 n PRO 183 Ca -0.06 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.01 1kn0 n PRO 183 Cb 0.51 -0.82 -0.04 0.00 -0.02 0.00 0.00 33.50 33.13 1kn0 n PRO 183 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1kn0 s LEU 184 N 1.44 4.53 0.10 2.45 2.01 -1.26 -5.01 118.68 122.94 1kn0 s LEU 184 Ca 0.52 2.05 -0.30 0.00 0.01 0.00 0.00 54.13 56.40 1kn0 s LEU 184 Cb -0.74 -3.61 -0.06 0.00 0.01 0.00 0.00 46.19 41.80 1kn0 s LEU 184 CO 0.40 -0.12 1.02 -0.70 1.01 0.00 0.00 176.35 177.95 1kn0 s GLU 185 N -0.60 4.62 -0.41 1.70 2.12 -1.26 -5.01 118.70 119.87 1kn0 s GLU 185 Ca 0.47 1.53 -0.17 0.00 0.36 0.00 0.00 54.97 57.16 1kn0 s GLU 185 Cb -0.28 -3.37 0.02 0.00 0.26 0.00 0.00 34.13 30.76 1kn0 s GLU 185 CO 0.35 0.09 0.42 0.08 -0.54 0.00 0.00 175.26 175.66 1kn0 s VAL 186 N 0.24 5.10 -0.61 3.70 1.01 -1.26 -5.02 120.40 123.56 1kn0 s VAL 186 Ca 0.50 -0.33 -0.28 0.00 0.00 0.00 0.00 61.98 61.87 1kn0 s VAL 186 Cb -0.25 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.15 1kn0 s VAL 186 CO 0.30 -0.39 1.26 -0.62 0.00 0.00 0.00 175.10 175.66 1kn0 s ASP 187 N 1.79 6.31 -0.22 3.32 2.15 -1.26 -4.87 116.67 123.89 1kn0 s ASP 187 Ca 0.12 0.03 0.06 0.00 0.43 0.00 0.00 52.55 53.19 1kn0 s ASP 187 Cb -0.17 -2.55 0.51 0.00 -0.30 0.00 0.00 42.92 40.40 1kn0 s ASP 187 CO 0.13 -1.61 1.46 0.18 -0.17 0.00 0.00 175.17 175.16 1kn0 n LEU 188 N 8.91 4.75 0.01 -1.34 4.77 -1.26 -4.49 117.00 128.36 1kn0 n LEU 188 Ca 0.08 -2.46 -0.13 0.00 -0.03 0.00 0.00 56.01 53.47 1kn0 n LEU 188 Cb 0.49 -0.67 -0.09 0.00 -2.33 0.00 0.00 43.42 40.82 1kn0 n LEU 188 CO 0.71 0.66 0.66 0.71 -1.33 0.00 0.00 177.39 178.80 1kn0 h THR 189 N 1.81 1.28 -0.41 -5.08 1.35 -2.04 -3.07 112.91 106.75 1kn0 h THR 189 Ca 0.18 -0.96 -0.13 0.00 -0.55 0.00 0.00 66.41 64.95 1kn0 h THR 189 Cb 1.82 1.93 -0.08 0.00 -1.73 0.00 0.00 68.15 70.09 1kn0 h THR 189 CO 0.51 0.24 0.17 0.29 -0.25 0.00 0.00 175.52 176.48 1kn0 n LYS 190 N -4.91 2.36 -2.40 4.72 5.02 -1.26 -4.94 118.16 116.75 1kn0 n LYS 190 Ca -0.08 -1.61 -0.35 0.00 -2.02 0.00 0.00 58.31 54.25 1kn0 n LYS 190 Cb 0.22 -1.76 -0.02 0.00 -0.02 0.00 0.00 35.03 33.45 1kn0 n LYS 190 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kn0 s ALA 191 N -1.82 2.84 0.07 7.82 0.00 -1.16 -4.96 121.76 124.55 1kn0 s ALA 191 Ca 0.29 0.74 -0.31 0.00 0.00 0.00 0.00 51.96 52.68 1kn0 s ALA 191 Cb 0.23 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.96 1kn0 s ALA 191 CO 0.07 -0.52 1.71 0.21 0.00 0.00 0.00 175.76 177.23 1kn0 s LYS 192 N -3.12 4.18 -0.00 0.00 2.20 -1.26 -4.90 119.74 116.84 1kn0 s LYS 192 Ca 0.68 2.40 0.07 0.00 -0.36 0.00 0.00 55.97 58.76 1kn0 s LYS 192 Cb -0.21 -3.65 -0.08 0.00 -1.51 0.00 0.00 37.83 32.38 1kn0 s LYS 192 CO 0.25 -0.78 0.30 0.54 -0.36 0.00 0.00 175.35 175.30 1kn0 n ARG 193 N 5.80 4.44 -4.01 4.03 1.74 -1.26 -5.05 116.66 122.36 1kn0 n ARG 193 Ca 0.17 -0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.15 1kn0 n ARG 193 Cb 0.40 -0.85 -0.08 0.00 -1.02 0.00 0.00 32.46 30.91 1kn0 n ARG 193 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1kn0 s GLN 194 N -1.71 1.08 0.04 5.56 1.03 -1.26 -5.11 119.66 119.29 1kn0 s GLN 194 Ca 0.02 -1.24 -0.32 0.00 0.04 0.00 0.00 55.36 53.87 1kn0 s GLN 194 Cb 0.05 0.34 -0.18 0.00 0.03 0.00 0.00 33.01 33.25 1kn0 s GLN 194 CO 0.29 -0.37 1.35 -0.44 -2.54 0.00 0.00 175.29 173.58 1kn0 h ASP 195 N 2.64 -0.98 -2.53 12.60 3.32 -2.05 -3.46 116.42 125.97 1kn0 h ASP 195 Ca -0.33 0.03 -0.59 0.00 0.02 0.00 0.00 57.03 56.16 1kn0 h ASP 195 Cb 1.22 0.25 0.17 0.00 0.22 0.00 0.00 39.33 41.19 1kn0 h ASP 195 CO 0.52 -0.63 -0.67 -0.11 -1.72 0.00 0.00 179.24 176.62 1kn0 n LEU 196 N -5.46 -0.94 -3.44 1.55 7.94 -1.26 -5.00 117.00 110.39 1kn0 n LEU 196 Ca -0.14 0.73 -0.28 0.00 -1.11 0.00 0.00 56.01 55.21 1kn0 n LEU 196 Cb 0.45 -1.05 -0.11 0.00 0.53 0.00 0.00 43.42 43.25 1kn0 n LEU 196 CO 0.35 -3.66 -0.32 -1.61 -1.11 0.00 0.00 177.39 171.04 1kn0 s GLU 197 N -1.62 0.69 0.22 1.96 0.41 -1.26 -5.03 118.70 114.07 1kn0 s GLU 197 Ca 0.64 -1.64 -0.08 0.00 -0.41 0.00 0.00 54.97 53.48 1kn0 s GLU 197 Cb -0.49 -1.35 0.34 0.00 -1.78 0.00 0.00 34.13 30.85 1kn0 s GLU 197 CO 0.59 -1.28 1.72 -1.35 -0.49 0.00 0.00 175.26 174.45 1kn0 h PRO 198 N 6.47 0.33 -0.31 0.39 0.11 -1.97 0.22 132.00 137.23 1kn0 h PRO 198 Ca 0.14 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.29 1kn0 h PRO 198 Cb 0.95 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 31.93 1kn0 h PRO 198 CO 0.31 0.22 -0.00 1.03 -0.21 0.00 0.00 178.00 179.34 1kn0 h SER 199 N 0.34 -0.13 0.51 -2.05 0.87 -2.00 -1.31 113.55 109.79 1kn0 h SER 199 Ca 0.34 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.95 1kn0 h SER 199 Cb 0.50 0.13 0.01 0.00 -0.44 0.00 0.00 62.40 62.60 1kn0 h SER 199 CO -0.39 -0.03 -0.25 0.58 -0.53 0.00 0.00 176.83 176.21 1kn0 h VAL 200 N 0.09 0.13 -1.52 2.23 2.07 -1.84 -2.85 116.25 114.56 1kn0 h VAL 200 Ca 0.15 -0.50 0.46 0.00 0.82 0.00 0.00 66.70 67.63 1kn0 h VAL 200 Cb 0.20 0.19 -0.09 0.00 -1.52 0.00 0.00 31.29 30.08 1kn0 h VAL 200 CO -0.26 0.03 1.05 -0.08 0.02 0.00 0.00 177.57 178.33 1kn0 h GLU 201 N -1.13 0.05 0.29 1.57 4.57 -0.54 -0.83 114.58 118.56 1kn0 h GLU 201 Ca -0.07 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1kn0 h GLU 201 Cb 0.57 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1kn0 h GLU 201 CO 0.12 0.03 -0.14 1.49 -1.18 0.00 0.00 179.01 179.33 1kn0 h GLU 202 N 0.05 -0.37 -1.00 1.92 4.81 -1.22 -2.62 114.58 116.15 1kn0 h GLU 202 Ca 0.80 0.03 0.22 0.00 -0.13 0.00 0.00 59.36 60.28 1kn0 h GLU 202 Cb 2.90 0.08 -0.10 0.00 0.63 0.00 0.00 28.75 32.26 1kn0 h GLU 202 CO -0.18 -0.25 0.62 0.00 -0.73 0.00 0.00 179.01 178.48 1kn0 h ALA 203 N -1.11 1.92 -0.08 2.92 0.00 -0.98 -0.60 119.26 121.32 1kn0 h ALA 203 Ca -0.04 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1kn0 h ALA 203 Cb 0.30 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1kn0 h ALA 203 CO 0.06 -0.31 -0.01 -0.09 0.00 0.00 0.00 179.25 178.90 1kn0 h ARG 204 N 0.58 0.15 -0.83 0.00 2.43 -1.30 -2.57 114.38 112.84 1kn0 h ARG 204 Ca 0.58 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.78 1kn0 h ARG 204 Cb 1.17 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.66 1kn0 h ARG 204 CO -0.35 0.44 0.54 -0.92 -1.51 0.00 0.00 179.97 178.17 1kn0 h TYR 205 N -0.16 0.90 0.00 2.20 3.20 -0.74 0.40 116.97 122.76 1kn0 h TYR 205 Ca 0.02 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1kn0 h TYR 205 Cb 0.38 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.36 1kn0 h TYR 205 CO 0.04 0.45 0.00 0.09 -1.64 0.00 0.00 178.16 177.10 1kn0 n ASN 206 N -4.50 0.00 -0.93 -2.11 3.02 -0.65 -2.69 115.26 107.41 1kn0 n ASN 206 Ca 0.13 -0.90 0.12 0.00 -0.03 0.00 0.00 54.58 53.90 1kn0 n ASN 206 Cb 0.25 -0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.67 1kn0 n ASN 206 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1kn0 n SER 207 N -1.00 2.80 -0.47 6.41 2.88 0.14 -5.07 113.62 119.30 1kn0 n SER 207 Ca 0.22 -1.89 0.06 0.00 -1.33 0.00 0.00 58.87 55.92 1kn0 n SER 207 Cb 0.10 -0.15 0.05 0.00 -0.75 0.00 0.00 64.21 63.46 1kn0 n SER 207 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81