#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 3.75 0.00 0.00 5.36 -1.26 -1.45 117.98 124.37 1kn0 s PHE 26 Ca 0.00 1.67 0.00 0.00 -0.96 0.00 0.00 56.93 57.64 1kn0 s PHE 26 Cb 0.00 -3.00 0.00 0.00 -0.34 0.00 0.00 43.02 39.68 1kn0 s PHE 26 CO 0.00 0.16 0.00 0.41 -1.46 0.00 0.00 175.22 174.33 1kn0 n GLY 27 N 2.49 3.12 0.01 13.12 0.00 0.85 -4.79 105.19 119.99 1kn0 n GLY 27 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.47 0.09 -0.83 1.61 1.13 -1.16 -4.04 117.38 112.72 1kn0 n GLN 28 Ca 0.00 0.25 -0.30 0.00 -1.94 0.00 0.00 57.00 55.02 1kn0 n GLN 28 Cb 0.00 -0.89 -0.03 0.00 0.11 0.00 0.00 30.24 29.43 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 -0.40 2.57 0.26 0.00 -0.21 -1.26 -3.34 119.66 117.28 1kn0 s GLN 30 Ca 0.42 -0.71 -0.30 0.00 0.02 0.00 0.00 55.36 54.79 1kn0 s GLN 30 Cb -0.60 -2.39 -0.10 0.00 1.00 0.00 0.00 33.01 30.92 1kn0 s GLN 30 CO 0.33 0.58 1.48 0.71 -2.12 0.00 0.00 175.29 176.26 1kn0 s TYR 31 N -0.62 2.96 0.67 0.91 1.51 -1.26 -5.01 117.35 116.51 1kn0 s TYR 31 Ca 0.09 0.96 -0.11 0.00 -1.01 0.00 0.00 57.07 57.00 1kn0 s TYR 31 Cb -0.11 -3.88 -0.01 0.00 -0.11 0.00 0.00 41.96 37.86 1kn0 s TYR 31 CO 0.01 -2.89 1.07 0.95 -1.11 0.00 0.00 175.55 173.58 1kn0 s THR 32 N 0.02 4.03 0.21 -0.71 -4.23 -1.26 -4.82 115.64 108.88 1kn0 s THR 32 Ca 0.60 0.66 -0.09 0.00 -1.18 0.00 0.00 61.69 61.68 1kn0 s THR 32 Cb -0.43 -3.62 0.15 0.00 1.34 0.00 0.00 72.50 69.94 1kn0 s THR 32 CO 0.44 -0.86 1.75 0.00 -0.54 0.00 0.00 174.62 175.41 1kn0 h ALA 33 N -0.54 0.84 0.67 3.99 0.00 -1.99 -0.00 119.26 122.23 1kn0 h ALA 33 Ca -0.45 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1kn0 h ALA 33 Cb 1.22 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1kn0 h ALA 33 CO 0.62 -0.16 -0.43 0.93 0.00 0.00 0.00 179.25 180.22 1kn0 h GLU 34 N 0.46 -1.01 -0.49 0.00 3.07 -1.99 -1.10 114.58 113.52 1kn0 h GLU 34 Ca 0.32 0.07 0.01 0.00 -0.50 0.00 0.00 59.36 59.26 1kn0 h GLU 34 Cb 0.38 0.23 -0.03 0.00 -0.84 0.00 0.00 28.75 28.49 1kn0 h GLU 34 CO -0.30 -0.67 0.31 1.49 -1.40 0.00 0.00 179.01 178.44 1kn0 h GLU 35 N -1.04 0.61 0.05 2.33 4.81 -1.90 -0.89 114.58 118.54 1kn0 h GLU 35 Ca -0.08 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1kn0 h GLU 35 Cb 0.85 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 1kn0 h GLU 35 CO 0.07 0.41 -0.23 -0.92 -0.73 0.00 0.00 179.01 177.61 1kn0 h TYR 36 N 0.63 -0.62 -0.20 0.92 3.20 -0.93 0.05 116.97 120.02 1kn0 h TYR 36 Ca 0.19 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.10 1kn0 h TYR 36 Cb -0.04 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 1kn0 h TYR 36 CO -0.05 -0.33 0.04 0.37 -1.64 0.00 0.00 178.16 176.55 1kn0 h GLN 37 N -0.39 0.11 0.12 1.82 4.15 -0.92 0.10 115.11 120.11 1kn0 h GLN 37 Ca 0.05 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.48 1kn0 h GLN 37 Cb 0.45 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 1kn0 h GLN 37 CO -0.18 0.08 -0.25 0.00 -1.93 0.00 0.00 178.83 176.55 1kn0 h ALA 38 N 1.14 -0.42 -0.77 3.38 0.00 -0.89 -2.02 119.26 119.69 1kn0 h ALA 38 Ca 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1kn0 h ALA 38 Cb 0.08 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1kn0 h ALA 38 CO -0.12 -0.78 0.36 0.82 0.00 0.00 0.00 179.25 179.53 1kn0 h ILE 39 N -0.45 1.24 -0.74 0.00 2.04 -0.80 -0.52 117.51 118.28 1kn0 h ILE 39 Ca 0.03 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1kn0 h ILE 39 Cb 0.47 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1kn0 h ILE 39 CO -0.14 0.29 0.41 -0.61 0.00 0.00 0.00 178.15 178.10 1kn0 h GLN 40 N 1.10 1.03 0.12 2.37 5.75 -0.48 -0.06 115.11 124.93 1kn0 h GLN 40 Ca 0.27 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 1kn0 h GLN 40 Cb 0.12 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.46 1kn0 h GLN 40 CO -0.03 0.76 -0.06 0.87 -2.65 0.00 0.00 178.83 177.71 1kn0 h LYS 41 N 1.04 -0.16 -0.67 1.69 1.57 -1.08 -3.34 116.57 115.62 1kn0 h LYS 41 Ca 0.26 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.17 1kn0 h LYS 41 Cb 0.03 0.04 -0.13 0.00 0.08 0.00 0.00 32.23 32.25 1kn0 h LYS 41 CO -0.04 0.26 -0.30 0.00 -0.57 0.00 0.00 179.45 178.80 1kn0 h ALA 42 N -0.45 0.12 0.00 3.86 0.00 -0.96 0.11 119.26 121.94 1kn0 h ALA 42 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1kn0 h ALA 42 Cb 0.50 0.75 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1kn0 h ALA 42 CO 0.03 -0.60 0.24 -0.07 0.00 0.00 0.00 179.25 178.85 1kn0 h LEU 43 N -0.10 0.00 -0.13 0.00 3.38 -1.12 -0.66 115.31 116.68 1kn0 h LEU 43 Ca 0.28 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.02 1kn0 h LEU 43 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1kn0 h LEU 43 CO -0.73 0.00 -1.00 0.03 0.09 0.00 0.00 178.44 176.83 1kn0 h ARG 44 N 0.00 0.24 -6.21 1.13 3.08 -0.89 -0.58 114.38 111.14 1kn0 h ARG 44 Ca 0.00 -0.30 -0.61 0.00 0.07 0.00 0.00 59.98 59.14 1kn0 h ARG 44 Cb 0.49 0.10 0.16 0.00 0.08 0.00 0.00 29.97 30.79 1kn0 h ARG 44 CO 0.00 1.06 -0.67 1.04 -1.07 0.00 0.00 179.97 180.33 1kn0 n GLN 45 N -3.61 0.31 -3.95 0.04 6.02 -0.26 -4.47 117.38 111.46 1kn0 n GLN 45 Ca -0.05 0.11 -0.27 0.00 -0.01 0.00 0.00 57.00 56.78 1kn0 n GLN 45 Cb 0.88 -1.31 -0.03 0.00 1.02 0.00 0.00 30.24 30.79 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 -1.41 3.40 0.34 -1.09 0.52 -1.26 -1.12 118.95 118.34 1kn0 s ARG 46 Ca 0.62 -0.59 -0.25 0.00 -0.52 0.00 0.00 55.73 54.99 1kn0 s ARG 46 Cb -0.57 -2.96 -0.10 0.00 0.52 0.00 0.00 34.95 31.84 1kn0 s ARG 46 CO 0.60 0.53 0.94 -0.51 0.02 0.00 0.00 175.30 176.88 1kn0 s LEU 47 N -3.10 4.26 0.90 2.53 2.01 -1.26 -4.93 118.68 119.09 1kn0 s LEU 47 Ca 0.34 1.79 -0.14 0.00 0.01 0.00 0.00 54.13 56.13 1kn0 s LEU 47 Cb -0.11 -4.11 0.15 0.00 0.01 0.00 0.00 46.19 42.13 1kn0 s LEU 47 CO 0.28 -0.12 1.25 -0.83 1.01 0.00 0.00 176.35 177.94 1kn0 s GLY 48 N -1.73 1.69 0.20 -3.19 0.00 -1.26 -4.92 107.32 98.09 1kn0 s GLY 48 Ca 0.52 -0.93 0.18 0.00 0.00 0.00 0.00 44.72 44.49 1kn0 s GLY 48 CO 0.21 -0.28 1.55 -1.05 0.00 0.00 0.00 173.10 173.53 1kn0 n PRO 49 N -3.61 0.12 0.07 2.90 -0.02 -1.26 -2.26 135.00 130.94 1kn0 n PRO 49 Ca 0.12 0.47 0.09 0.00 -2.02 0.00 0.00 63.50 62.15 1kn0 n PRO 49 Cb 0.60 -1.78 0.38 0.00 -0.02 0.00 0.00 33.50 32.68 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 -2.01 0.09 -0.08 -0.52 4.71 -1.26 -3.02 120.64 118.54 1kn0 n GLU 50 Ca 0.01 0.39 -0.09 0.00 -0.01 0.00 0.00 57.16 57.46 1kn0 n GLU 50 Cb 0.13 -1.70 -0.13 0.00 -1.01 0.00 0.00 31.44 28.73 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 -1.88 0.00 -1.93 -0.32 4.02 -0.96 -5.01 117.16 111.08 1kn0 n TYR 51 Ca 0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.59 1kn0 n TYR 51 Cb 0.16 -0.81 0.02 0.00 -0.02 0.00 0.00 39.34 38.69 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 -2.40 3.78 0.34 -0.72 -1.09 -1.17 -4.29 121.20 115.65 1kn0 s ILE 52 Ca -0.10 0.79 0.02 0.00 -2.23 0.00 0.00 60.65 59.14 1kn0 s ILE 52 Cb 0.05 -3.35 -0.01 0.00 -1.58 0.00 0.00 42.46 37.57 1kn0 s ILE 52 CO 0.66 -0.55 0.39 -0.44 -1.23 0.00 0.00 174.94 173.77 1kn0 s SER 53 N -2.94 1.31 0.07 3.58 0.01 -0.15 -4.97 113.70 110.60 1kn0 s SER 53 Ca 0.63 -1.63 -0.19 0.00 1.31 0.00 0.00 55.95 56.07 1kn0 s SER 53 Cb -0.16 0.62 0.04 0.00 0.21 0.00 0.00 66.02 66.73 1kn0 s SER 53 CO 0.41 -1.21 0.45 -0.94 0.41 0.00 0.00 173.24 172.36 1kn0 s SER 54 N -3.31 -0.34 0.18 2.44 1.04 -1.26 -2.22 113.70 110.24 1kn0 s SER 54 Ca 0.35 -0.00 0.01 0.00 0.48 0.00 0.00 55.95 56.79 1kn0 s SER 54 Cb 0.01 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.55 1kn0 s SER 54 CO 0.24 -0.73 0.03 -0.13 0.98 0.00 0.00 173.24 173.63 1kn0 s ARG 55 N -2.78 1.12 -0.49 4.02 0.52 -0.47 -4.96 118.95 115.91 1kn0 s ARG 55 Ca -0.03 -1.55 -0.13 0.00 -0.52 0.00 0.00 55.73 53.49 1kn0 s ARG 55 Cb -0.00 -0.13 0.11 0.00 0.52 0.00 0.00 34.95 35.45 1kn0 s ARG 55 CO -0.04 -0.20 0.41 1.41 0.02 0.00 0.00 175.30 176.90 1kn0 s MET 56 N -3.97 2.80 0.19 3.54 1.75 -1.26 -1.19 119.30 121.16 1kn0 s MET 56 Ca 0.27 -1.62 -0.33 0.00 -1.25 0.00 0.00 55.69 52.76 1kn0 s MET 56 Cb 0.07 -4.10 -0.15 0.00 2.84 0.00 0.00 34.83 33.49 1kn0 s MET 56 CO 0.05 -1.18 1.28 0.00 -0.65 0.00 0.00 175.02 174.52 1kn0 n ALA 57 N 5.11 -0.06 -1.54 4.11 0.00 -0.14 -4.71 120.51 123.27 1kn0 n ALA 57 Ca -0.12 0.45 -0.31 0.00 0.00 0.00 0.00 53.44 53.47 1kn0 n ALA 57 Cb 0.41 -2.13 -0.07 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 2.19 -0.06 2.21 0.00 0.00 -1.26 -1.25 105.19 107.02 1kn0 n GLY 58 Ca 0.14 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.78 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 6.24 2.24 0.00 -0.02 0.00 -1.26 -4.98 105.19 107.40 1kn0 n GLY 59 Ca 0.47 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.38 -5.08 105.19 97.61 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 -1.02 3.04 -2.92 1.61 3.00 -1.26 -4.32 117.38 115.51 1kn0 n GLN 61 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 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 1.82 4.29 -0.22 -1.09 2.20 -1.26 -0.97 119.74 124.51 1kn0 s LYS 62 Ca 0.00 0.97 -0.06 0.00 -0.36 0.00 0.00 55.97 56.52 1kn0 s LYS 62 Cb 0.00 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 1kn0 s LYS 62 CO 0.00 -0.32 0.03 0.08 -0.36 0.00 0.00 175.35 174.79 1kn0 s VAL 63 N 2.12 4.18 0.24 4.02 1.01 -0.33 -4.94 120.40 126.70 1kn0 s VAL 63 Ca 0.37 -0.23 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 1kn0 s VAL 63 Cb -0.16 -2.92 -0.07 0.00 0.00 0.00 0.00 36.38 33.23 1kn0 s VAL 63 CO 0.12 0.40 0.56 0.00 0.00 0.00 0.00 175.10 176.18 1kn0 s TYR 65 N -1.83 -0.16 -0.11 0.00 -0.85 -0.94 -4.96 117.35 108.50 1kn0 s TYR 65 Ca 0.48 -0.23 0.02 0.00 -0.52 0.00 0.00 57.07 56.82 1kn0 s TYR 65 Cb -0.11 0.68 -0.01 0.00 0.38 0.00 0.00 41.96 42.89 1kn0 s TYR 65 CO 0.21 -1.05 -0.16 0.42 -1.52 0.00 0.00 175.55 173.45 1kn0 s ILE 66 N -3.63 2.86 0.42 -3.49 1.01 -1.26 -0.98 121.20 116.13 1kn0 s ILE 66 Ca 0.12 -0.75 -0.25 0.00 0.00 0.00 0.00 60.65 59.76 1kn0 s ILE 66 Cb -0.04 -2.16 -0.08 0.00 0.01 0.00 0.00 42.46 40.19 1kn0 s ILE 66 CO 0.05 0.55 1.31 -1.61 0.00 0.00 0.00 174.94 175.24 1kn0 s GLU 67 N 0.10 3.86 0.11 2.79 2.02 -1.26 -4.87 118.70 121.46 1kn0 s GLU 67 Ca -0.07 2.17 -0.29 0.00 0.02 0.00 0.00 54.97 56.80 1kn0 s GLU 67 Cb -0.15 -2.69 -0.10 0.00 0.10 0.00 0.00 34.13 31.29 1kn0 s GLU 67 CO 0.05 -0.58 1.47 0.78 0.02 0.00 0.00 175.26 177.00 1kn0 h GLY 68 N 2.51 -1.15 -0.09 -1.39 0.00 -1.98 -1.38 103.07 99.60 1kn0 h GLY 68 Ca -0.50 0.72 0.29 0.00 0.00 0.00 0.00 47.33 47.84 1kn0 h GLY 68 CO 0.62 -0.22 0.77 1.12 0.00 0.00 0.00 176.54 178.82 1kn0 h HIS 69 N -0.40 0.00 0.26 5.60 2.07 -1.99 -0.86 115.15 119.83 1kn0 h HIS 69 Ca 0.05 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.56 1kn0 h HIS 69 Cb 0.54 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.52 1kn0 h HIS 69 CO -0.66 0.00 -0.12 0.00 -3.07 0.00 0.00 177.93 174.07 1kn0 h ARG 70 N 0.00 -0.33 -1.09 5.12 2.47 -1.62 -1.96 114.38 116.97 1kn0 h ARG 70 Ca 0.47 0.02 0.33 0.00 -1.26 0.00 0.00 59.98 59.55 1kn0 h ARG 70 Cb 2.00 0.08 -0.13 0.00 -1.65 0.00 0.00 29.97 30.27 1kn0 h ARG 70 CO -0.00 -0.22 0.67 0.28 0.56 0.00 0.00 179.97 181.25 1kn0 h VAL 71 N -0.38 0.32 0.24 2.04 2.07 -0.99 0.22 116.25 119.75 1kn0 h VAL 71 Ca -0.04 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1kn0 h VAL 71 Cb 0.26 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1kn0 h VAL 71 CO 0.06 0.05 -0.12 0.40 0.02 0.00 0.00 177.57 177.99 1kn0 h ILE 72 N 0.29 0.82 -0.83 4.57 2.04 -1.18 -2.26 117.51 120.97 1kn0 h ILE 72 Ca 0.72 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 66.14 1kn0 h ILE 72 Cb 1.85 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 38.96 1kn0 h ILE 72 CO -0.48 0.09 0.48 0.78 0.00 0.00 0.00 178.15 179.02 1kn0 h ASN 73 N -0.54 1.01 -0.54 1.72 2.35 0.04 -0.39 115.58 119.23 1kn0 h ASN 73 Ca -0.03 -0.08 0.10 0.00 -0.55 0.00 0.00 56.30 55.74 1kn0 h ASN 73 Cb 0.40 -0.26 -0.08 0.00 0.05 0.00 0.00 38.32 38.43 1kn0 h ASN 73 CO 0.05 0.80 0.05 -0.07 -1.65 0.00 0.00 177.43 176.61 1kn0 h LEU 74 N 1.14 -0.13 -0.43 1.61 3.38 -0.64 -1.56 115.31 118.69 1kn0 h LEU 74 Ca 0.29 0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.30 1kn0 h LEU 74 Cb -0.01 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1kn0 h LEU 74 CO -0.05 -0.04 -0.07 0.00 0.09 0.00 0.00 178.44 178.37 1kn0 h ALA 75 N 1.46 0.58 0.00 1.53 0.00 -0.78 0.48 119.26 122.53 1kn0 h ALA 75 Ca 0.28 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1kn0 h ALA 75 Cb 0.42 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1kn0 h ALA 75 CO -0.41 0.43 -0.01 -0.91 0.00 0.00 0.00 179.25 178.35 1kn0 h ASN 76 N 0.63 0.00 0.00 0.00 2.35 -0.41 0.04 115.58 118.19 1kn0 h ASN 76 Ca 0.11 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.74 1kn0 h ASN 76 Cb 0.58 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 1kn0 h ASN 76 CO 0.03 0.01 -0.77 -0.33 -1.65 0.00 0.00 177.43 174.72 1kn0 h GLU 77 N 0.00 0.00 -0.86 0.81 4.39 -0.90 -0.64 114.58 117.38 1kn0 h GLU 77 Ca -0.00 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.83 1kn0 h GLU 77 Cb 0.02 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.58 1kn0 h GLU 77 CO 0.00 0.75 0.47 0.52 -1.16 0.00 0.00 179.01 179.59 1kn0 h MET 78 N -1.00 0.69 0.00 2.33 2.86 -0.56 -3.28 114.93 115.97 1kn0 h MET 78 Ca -0.19 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1kn0 h MET 78 Cb 1.00 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.50 1kn0 h MET 78 CO -0.11 0.46 -0.32 1.19 1.06 0.00 0.00 176.91 179.19 1kn0 n PHE 79 N -4.80 0.00 0.00 -0.22 3.01 -0.03 -4.92 117.46 110.49 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 0.38 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 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 1.31 0.73 0.42 1.37 0.00 -0.25 -3.21 105.19 105.55 1kn0 n GLY 80 Ca 0.00 -1.65 0.23 0.00 0.00 0.00 0.00 46.02 44.60 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 0.13 -0.28 1.61 -0.00 -1.87 -1.40 116.97 115.17 1kn0 h TYR 81 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.70 1kn0 h TYR 81 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 36.73 36.67 1kn0 h TYR 81 CO 0.00 0.04 0.00 0.27 -0.00 0.00 0.00 178.16 178.47 1kn0 n ASN 82 N -4.36 3.69 -0.38 0.10 6.94 -1.26 -4.51 115.26 115.47 1kn0 n ASN 82 Ca 0.15 -3.12 0.08 0.00 -0.02 0.00 0.00 54.58 51.67 1kn0 n ASN 82 Cb 0.76 -0.56 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 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 -0.61 -0.03 3.13 4.83 0.00 -0.53 -4.76 105.19 107.22 1kn0 n GLY 83 Ca 0.23 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.81 0.26 0.11 1.61 1.48 -1.25 -1.69 118.94 117.65 1kn0 s TRP 84 Ca 0.13 -0.66 -0.17 0.00 -1.06 0.00 0.00 56.10 54.35 1kn0 s TRP 84 Cb 0.13 -0.18 0.04 0.00 -1.16 0.00 0.00 33.47 32.29 1kn0 s TRP 84 CO 0.38 -0.41 0.41 0.00 -4.06 0.00 0.00 176.95 173.27 1kn0 s ALA 85 N -3.22 -0.98 0.05 2.67 0.00 0.12 -4.95 121.76 115.44 1kn0 s ALA 85 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 51.96 51.96 1kn0 s ALA 85 Cb 0.02 0.62 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 1kn0 s ALA 85 CO -0.07 -0.60 0.13 -3.38 0.00 0.00 0.00 175.76 171.83 1kn0 s HIS 86 N -3.48 0.18 0.06 0.00 -3.43 -1.26 0.33 115.29 107.69 1kn0 s HIS 86 Ca 0.01 -0.52 -0.08 0.00 -0.80 0.00 0.00 55.06 53.66 1kn0 s HIS 86 Cb 0.01 -0.12 -0.00 0.00 -1.43 0.00 0.00 32.58 31.04 1kn0 s HIS 86 CO -0.10 -0.43 0.17 -1.54 -2.00 0.00 0.00 174.74 170.85 1kn0 s SER 87 N -2.38 0.10 -0.39 7.38 1.04 -0.27 -4.99 113.70 114.19 1kn0 s SER 87 Ca -0.01 -0.52 -0.16 0.00 0.48 0.00 0.00 55.95 55.74 1kn0 s SER 87 Cb 0.01 0.29 0.01 0.00 0.10 0.00 0.00 66.02 66.44 1kn0 s SER 87 CO -0.07 -0.61 0.38 -0.63 0.98 0.00 0.00 173.24 173.29 1kn0 s ILE 88 N -3.09 5.15 0.16 -1.02 1.01 -1.26 -1.14 121.20 121.01 1kn0 s ILE 88 Ca -0.01 -0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.25 1kn0 s ILE 88 Cb 0.01 -3.94 0.02 0.00 0.01 0.00 0.00 42.46 38.57 1kn0 s ILE 88 CO -0.07 -0.29 1.58 0.74 0.00 0.00 0.00 174.94 176.91 1kn0 h THR 89 N 5.64 1.27 -1.30 2.92 2.02 -0.92 -3.47 112.91 119.08 1kn0 h THR 89 Ca -0.28 -1.25 0.15 0.00 0.77 0.00 0.00 66.41 65.81 1kn0 h THR 89 Cb 1.12 1.01 -0.27 0.00 -1.74 0.00 0.00 68.15 68.27 1kn0 h THR 89 CO 0.75 0.44 0.74 -1.58 0.37 0.00 0.00 175.52 176.23 1kn0 s GLN 90 N -4.84 0.30 -0.09 6.66 0.74 -1.20 -5.00 119.66 116.23 1kn0 s GLN 90 Ca -0.12 0.15 0.01 0.00 0.05 0.00 0.00 55.36 55.45 1kn0 s GLN 90 Cb 0.12 0.14 0.02 0.00 1.10 0.00 0.00 33.01 34.40 1kn0 s GLN 90 CO 0.86 -0.08 -0.08 -1.14 -0.55 0.00 0.00 175.29 174.30 1kn0 s GLN 91 N -0.66 1.44 -0.12 1.67 0.74 -1.26 -0.05 119.66 121.42 1kn0 s GLN 91 Ca 0.04 -0.26 0.02 0.00 0.05 0.00 0.00 55.36 55.21 1kn0 s GLN 91 Cb -0.02 -1.39 0.01 0.00 1.10 0.00 0.00 33.01 32.71 1kn0 s GLN 91 CO -0.06 -0.15 -0.16 1.21 -0.55 0.00 0.00 175.29 175.57 1kn0 s ASN 92 N 1.28 2.58 -0.62 6.67 2.47 -0.41 -5.00 114.94 121.91 1kn0 s ASN 92 Ca -0.03 -0.46 -0.28 0.00 0.42 0.00 0.00 52.86 52.50 1kn0 s ASN 92 Cb -0.14 -1.16 0.02 0.00 -1.45 0.00 0.00 41.25 38.52 1kn0 s ASN 92 CO -0.03 0.03 1.33 -0.69 -3.72 0.00 0.00 177.10 174.02 1kn0 s VAL 93 N 0.97 3.81 0.10 -5.21 1.01 -1.26 -1.65 120.40 118.17 1kn0 s VAL 93 Ca -0.06 0.64 -0.22 0.00 0.00 0.00 0.00 61.98 62.33 1kn0 s VAL 93 Cb -0.15 -4.64 -0.12 0.00 0.00 0.00 0.00 36.38 31.47 1kn0 s VAL 93 CO -0.02 -1.41 1.74 0.44 0.00 0.00 0.00 175.10 175.85 1kn0 h ASP 94 N 10.52 0.02 -4.97 3.32 3.32 -0.88 -3.47 116.42 124.28 1kn0 h ASP 94 Ca -0.27 0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.80 1kn0 h ASP 94 Cb 1.07 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.51 1kn0 h ASP 94 CO 1.21 0.02 0.25 0.72 -1.72 0.00 0.00 179.24 179.72 1kn0 s PHE 95 N -6.19 -0.46 -0.37 4.55 -0.12 -1.06 -4.98 117.98 109.34 1kn0 s PHE 95 Ca -0.13 0.23 0.02 0.00 -0.05 0.00 0.00 56.93 57.00 1kn0 s PHE 95 Cb 0.07 0.58 0.15 0.00 -0.63 0.00 0.00 43.02 43.19 1kn0 s PHE 95 CO 0.67 -0.87 0.33 0.08 -0.05 0.00 0.00 175.22 175.38 1kn0 s VAL 96 N -3.70 -0.17 0.11 -2.49 1.01 -1.26 -1.97 120.40 111.94 1kn0 s VAL 96 Ca 0.03 -1.30 -0.03 0.00 0.00 0.00 0.00 61.98 60.67 1kn0 s VAL 96 Cb -0.02 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 1kn0 s VAL 96 CO -0.10 -0.73 0.32 -1.81 0.00 0.00 0.00 175.10 172.78 1kn0 s ASP 97 N 1.22 6.45 -0.27 3.32 1.01 -0.52 -4.94 116.67 122.94 1kn0 s ASP 97 Ca 0.18 0.49 0.03 0.00 0.71 0.00 0.00 52.55 53.96 1kn0 s ASP 97 Cb -0.16 -2.05 0.07 0.00 1.01 0.00 0.00 42.92 41.78 1kn0 s ASP 97 CO -0.02 0.10 -0.08 -0.22 0.21 0.00 0.00 175.17 175.16 1kn0 s LEU 98 N -2.56 3.67 -0.34 1.23 2.96 -1.26 -0.85 118.68 121.53 1kn0 s LEU 98 Ca 0.38 -1.53 -0.02 0.00 -0.22 0.00 0.00 54.13 52.75 1kn0 s LEU 98 Cb -0.12 -1.56 0.07 0.00 0.50 0.00 0.00 46.19 45.08 1kn0 s LEU 98 CO 0.25 -0.22 0.08 0.20 -1.32 0.00 0.00 176.35 175.34 1kn0 s ASN 99 N 1.07 5.03 -0.71 3.68 0.01 -0.56 -4.83 114.94 118.62 1kn0 s ASN 99 Ca -0.06 -1.60 -0.11 0.00 -0.71 0.00 0.00 52.86 50.38 1kn0 s ASN 99 Cb -0.20 -1.75 0.02 0.00 0.41 0.00 0.00 41.25 39.73 1kn0 s ASN 99 CO -0.06 -0.37 0.63 -0.46 -1.51 0.00 0.00 177.10 175.33 1kn0 n ASN 100 N 4.59 -5.27 0.00 -1.22 6.94 -1.26 -2.06 115.26 116.98 1kn0 n ASN 100 Ca -0.08 -0.66 0.00 0.00 -0.02 0.00 0.00 54.58 53.82 1kn0 n ASN 100 Cb 0.43 -1.97 0.00 0.00 -2.36 0.00 0.00 39.78 35.87 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 -1.23 0.51 3.69 4.83 0.00 -1.26 -4.96 105.19 106.78 1kn0 n GLY 101 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.36 2.98 -0.15 1.61 1.02 -0.88 -4.36 119.74 119.60 1kn0 s LYS 102 Ca 0.00 -0.42 -0.06 0.00 0.02 0.00 0.00 55.97 55.50 1kn0 s LYS 102 Cb 0.00 -2.79 -0.04 0.00 -0.52 0.00 0.00 37.83 34.48 1kn0 s LYS 102 CO 0.00 0.69 0.07 -0.06 -0.92 0.00 0.00 175.35 175.14 1kn0 s PHE 103 N -0.93 3.33 -0.34 3.18 0.40 -0.06 -1.50 117.98 122.06 1kn0 s PHE 103 Ca 0.14 0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.72 1kn0 s PHE 103 Cb -0.11 -2.00 0.09 0.00 0.51 0.00 0.00 43.02 41.51 1kn0 s PHE 103 CO 0.04 0.36 0.05 0.71 0.70 0.00 0.00 175.22 177.08 1kn0 s TYR 104 N -0.20 3.61 -0.09 0.36 1.51 -0.02 -3.57 117.35 118.95 1kn0 s TYR 104 Ca 0.08 -2.68 0.01 0.00 -1.01 0.00 0.00 57.07 53.47 1kn0 s TYR 104 Cb -0.12 -2.77 -0.02 0.00 -0.11 0.00 0.00 41.96 38.94 1kn0 s TYR 104 CO 0.01 -0.93 -0.13 0.08 -1.11 0.00 0.00 175.55 173.47 1kn0 s VAL 105 N 1.01 3.10 -0.13 0.71 1.01 0.52 -1.44 120.40 125.17 1kn0 s VAL 105 Ca 0.06 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1kn0 s VAL 105 Cb -0.20 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 33.93 1kn0 s VAL 105 CO -0.06 0.56 -0.21 -0.83 0.00 0.00 0.00 175.10 174.56 1kn0 s GLY 106 N -0.17 1.30 0.03 4.51 0.00 -0.83 -2.46 107.32 109.71 1kn0 s GLY 106 Ca -0.00 -1.03 0.03 0.00 0.00 0.00 0.00 44.72 43.72 1kn0 s GLY 106 CO 0.03 0.02 -0.10 0.14 0.00 0.00 0.00 173.10 173.18 1kn0 s VAL 107 N 0.84 0.80 0.09 1.40 1.01 -0.64 -0.13 120.40 123.76 1kn0 s VAL 107 Ca -0.07 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.09 1kn0 s VAL 107 Cb -0.15 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 1kn0 s VAL 107 CO -0.02 -0.10 -0.16 0.00 0.00 0.00 0.00 175.10 174.82 1kn0 s ALA 109 N -1.36 -0.09 -0.23 0.00 0.00 -0.44 -1.28 121.76 118.36 1kn0 s ALA 109 Ca 0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 51.96 51.72 1kn0 s ALA 109 Cb -0.09 0.06 -0.00 0.00 0.00 0.00 0.00 23.12 23.09 1kn0 s ALA 109 CO 0.03 -0.13 -0.04 -0.06 0.00 0.00 0.00 175.76 175.56 1kn0 s PHE 110 N -0.98 2.99 -0.04 0.00 0.40 0.92 0.11 117.98 121.37 1kn0 s PHE 110 Ca -0.11 -1.06 0.05 0.00 -0.60 0.00 0.00 56.93 55.21 1kn0 s PHE 110 Cb -0.06 -2.11 -0.02 0.00 0.51 0.00 0.00 43.02 41.34 1kn0 s PHE 110 CO 0.00 -0.59 -0.18 0.08 0.70 0.00 0.00 175.22 175.23 1kn0 s VAL 111 N 1.45 2.69 -0.15 -0.44 1.01 -0.40 -0.17 120.40 124.39 1kn0 s VAL 111 Ca 0.05 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1kn0 s VAL 111 Cb -0.15 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.23 1kn0 s VAL 111 CO -0.03 0.58 -0.20 -0.60 0.00 0.00 0.00 175.10 174.85 1kn0 s ARG 112 N -0.63 2.86 -0.11 2.72 3.52 -0.29 -0.90 118.95 126.12 1kn0 s ARG 112 Ca 0.10 -0.79 -0.04 0.00 -0.13 0.00 0.00 55.73 54.87 1kn0 s ARG 112 Cb -0.11 -2.40 -0.04 0.00 -1.56 0.00 0.00 34.95 30.84 1kn0 s ARG 112 CO 0.00 -0.12 0.03 0.08 -0.81 0.00 0.00 175.30 174.49 1kn0 s VAL 113 N 1.08 4.56 0.01 7.11 1.01 0.14 -1.12 120.40 133.19 1kn0 s VAL 113 Ca -0.01 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.85 1kn0 s VAL 113 Cb -0.14 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1kn0 s VAL 113 CO -0.07 0.58 -0.09 -1.58 0.00 0.00 0.00 175.10 173.94 1kn0 s GLN 114 N -0.65 0.70 0.44 2.72 0.74 0.15 -0.82 119.66 122.94 1kn0 s GLN 114 Ca 0.11 -0.46 0.03 0.00 0.05 0.00 0.00 55.36 55.09 1kn0 s GLN 114 Cb -0.12 -0.65 0.00 0.00 1.10 0.00 0.00 33.01 33.35 1kn0 s GLN 114 CO 0.02 0.17 0.63 -0.51 -0.55 0.00 0.00 175.29 175.05 1kn0 s LEU 115 N -0.59 3.66 0.29 3.68 1.43 -0.05 0.13 118.68 127.23 1kn0 s LEU 115 Ca 0.01 0.04 0.20 0.00 -1.03 0.00 0.00 54.13 53.34 1kn0 s LEU 115 Cb -0.05 -2.95 1.05 0.00 0.03 0.00 0.00 46.19 44.27 1kn0 s LEU 115 CO 0.00 -0.72 1.60 2.29 0.23 0.00 0.00 176.35 179.75 1kn0 n LYS 116 N -1.99 0.13 0.00 1.70 2.85 -0.68 -1.97 118.16 118.19 1kn0 n LYS 116 Ca 0.03 0.61 0.13 0.00 -1.05 0.00 0.00 58.31 58.03 1kn0 n LYS 116 Cb 0.58 -1.91 0.31 0.00 -0.65 0.00 0.00 35.03 33.36 1kn0 n LYS 116 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1kn0 n ASP 117 N -2.18 2.01 0.00 -5.58 5.75 -1.21 -0.11 116.55 115.23 1kn0 n ASP 117 Ca -0.01 -1.59 0.00 0.00 -0.01 0.00 0.00 54.79 53.17 1kn0 n ASP 117 Cb 0.04 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 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 1.28 3.10 3.61 6.12 0.00 -0.83 -4.77 105.19 113.71 1kn0 n GLY 118 Ca 0.15 0.00 -0.39 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 0.94 -3.52 1.61 2.88 -1.26 -4.74 113.62 109.53 1kn0 n SER 119 Ca 0.00 0.88 -0.17 0.00 -1.33 0.00 0.00 58.87 58.25 1kn0 n SER 119 Cb 0.00 -1.38 -0.06 0.00 -0.75 0.00 0.00 64.21 62.02 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 -1.45 -0.62 0.02 0.66 -0.85 -1.26 -0.87 117.35 112.97 1kn0 s TYR 120 Ca 0.71 1.04 0.01 0.00 -0.52 0.00 0.00 57.07 58.31 1kn0 s TYR 120 Cb -0.45 0.42 -0.01 0.00 0.38 0.00 0.00 41.96 42.29 1kn0 s TYR 120 CO 0.51 -0.59 -0.04 -1.01 -1.52 0.00 0.00 175.55 172.90 1kn0 s HIS 121 N -1.29 0.32 -0.01 -3.49 3.76 0.00 -5.00 115.29 109.59 1kn0 s HIS 121 Ca -0.09 -0.31 0.01 0.00 -0.15 0.00 0.00 55.06 54.51 1kn0 s HIS 121 Cb -0.00 -0.21 0.00 0.00 1.11 0.00 0.00 32.58 33.48 1kn0 s HIS 121 CO 0.08 -0.09 -0.04 -2.00 -0.85 0.00 0.00 174.74 171.85 1kn0 s GLU 122 N -0.89 0.34 0.25 1.40 2.12 -1.26 0.26 118.70 120.92 1kn0 s GLU 122 Ca -0.08 -0.12 -0.06 0.00 0.36 0.00 0.00 54.97 55.07 1kn0 s GLU 122 Cb -0.06 -0.35 -0.02 0.00 0.26 0.00 0.00 34.13 33.97 1kn0 s GLU 122 CO -0.00 0.06 0.36 0.34 -0.54 0.00 0.00 175.26 175.48 1kn0 s ASP 123 N 0.03 0.25 0.04 -1.70 -1.08 -0.08 -4.94 116.67 109.19 1kn0 s ASP 123 Ca 0.00 -1.22 -0.09 0.00 -0.52 0.00 0.00 52.55 50.72 1kn0 s ASP 123 Cb -0.03 0.54 -0.05 0.00 -1.46 0.00 0.00 42.92 41.91 1kn0 s ASP 123 CO -0.00 -1.07 0.34 -0.69 0.52 0.00 0.00 175.17 174.27 1kn0 s VAL 124 N -3.85 5.18 0.29 1.11 1.01 -1.26 -1.28 120.40 121.61 1kn0 s VAL 124 Ca 0.30 0.38 0.11 0.00 0.00 0.00 0.00 61.98 62.78 1kn0 s VAL 124 Cb 0.02 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 1kn0 s VAL 124 CO 0.13 0.36 -0.17 -0.83 0.00 0.00 0.00 175.10 174.59 1kn0 s GLY 125 N -1.64 1.96 -0.01 4.51 0.00 0.29 -4.43 107.32 108.00 1kn0 s GLY 125 Ca 0.29 -1.93 0.00 0.00 0.00 0.00 0.00 44.72 43.09 1kn0 s GLY 125 CO 0.16 -1.98 0.01 -0.47 0.00 0.00 0.00 173.10 170.83 1kn0 s TYR 126 N -2.55 0.08 0.06 1.90 5.04 -1.24 -1.33 117.35 119.31 1kn0 s TYR 126 Ca 0.30 0.06 0.06 0.00 -2.44 0.00 0.00 57.07 55.06 1kn0 s TYR 126 Cb -0.03 -0.20 -0.04 0.00 0.35 0.00 0.00 41.96 42.05 1kn0 s TYR 126 CO 0.15 -0.07 -0.14 0.20 -1.34 0.00 0.00 175.55 174.36 1kn0 s GLY 127 N 0.69 1.68 0.01 8.97 0.00 0.97 -3.93 107.32 115.71 1kn0 s GLY 127 Ca -0.06 -1.19 -0.04 0.00 0.00 0.00 0.00 44.72 43.43 1kn0 s GLY 127 CO -0.02 -1.10 0.07 0.14 0.00 0.00 0.00 173.10 172.19 1kn0 s VAL 128 N -1.03 0.10 -0.23 1.40 1.01 -1.26 -1.62 120.40 118.76 1kn0 s VAL 128 Ca 0.17 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 1kn0 s VAL 128 Cb -0.11 -0.38 0.12 0.00 0.00 0.00 0.00 36.38 36.01 1kn0 s VAL 128 CO 0.08 -0.43 0.43 -0.55 0.00 0.00 0.00 175.10 174.63 1kn0 s SER 129 N -1.44 -0.19 0.00 3.32 0.15 -1.03 -4.45 113.70 110.06 1kn0 s SER 129 Ca -0.15 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1kn0 s SER 129 Cb -0.08 1.37 0.00 0.00 -1.71 0.00 0.00 66.02 65.60 1kn0 s SER 129 CO 0.00 -0.26 0.41 -0.62 1.20 0.00 0.00 173.24 173.97 1kn0 n GLU 130 N 5.39 0.16 -0.00 5.44 1.02 -1.25 -0.36 120.64 131.04 1kn0 n GLU 130 Ca -0.06 -0.41 -0.00 0.00 -0.02 0.00 0.00 57.16 56.67 1kn0 n GLU 130 Cb 0.50 -0.91 -0.00 0.00 -0.02 0.00 0.00 31.44 31.01 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 0.14 -0.30 0.00 0.62 0.00 -1.23 -4.59 105.19 99.83 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 -2.53 0.00 0.03 0.99 4.77 -1.26 -3.41 117.00 115.59 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 0.01 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1kn0 n LEU 132 CO 0.00 0.00 -0.31 0.29 -1.33 0.00 0.00 177.39 176.04 1kn0 n LYS 133 N 0.00 0.51 -3.15 3.23 5.02 -1.26 -0.88 118.16 121.63 1kn0 n LYS 133 Ca 0.00 -0.05 -0.39 0.00 -2.02 0.00 0.00 58.31 55.85 1kn0 n LYS 133 Cb 0.00 -1.62 -0.05 0.00 -0.02 0.00 0.00 35.03 33.34 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 -4.50 6.83 -0.03 4.39 0.15 -1.26 -4.79 113.70 114.49 1kn0 s SER 134 Ca -0.02 1.00 -0.25 0.00 0.70 0.00 0.00 55.95 57.38 1kn0 s SER 134 Cb 0.13 -2.36 -0.20 0.00 -1.71 0.00 0.00 66.02 61.88 1kn0 s SER 134 CO 0.85 -0.10 1.20 0.50 1.20 0.00 0.00 173.24 176.89 1kn0 h LYS 135 N 6.87 0.09 -0.09 5.44 3.64 -1.97 -2.14 116.57 128.41 1kn0 h LYS 135 Ca -0.39 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 58.97 1kn0 h LYS 135 Cb 1.18 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.95 1kn0 h LYS 135 CO 0.76 0.64 -0.42 0.00 -2.27 0.00 0.00 179.45 178.17 1kn0 h ALA 136 N 0.45 -0.61 -0.37 5.00 0.00 -2.00 -0.50 119.26 121.23 1kn0 h ALA 136 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1kn0 h ALA 136 Cb 0.64 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1kn0 h ALA 136 CO 0.01 -0.93 0.25 -0.07 0.00 0.00 0.00 179.25 178.51 1kn0 h LEU 137 N -0.51 0.38 -0.55 0.00 4.07 -1.98 -0.47 115.31 116.25 1kn0 h LEU 137 Ca 0.07 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 57.92 1kn0 h LEU 137 Cb 0.63 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.26 1kn0 h LEU 137 CO -0.37 0.27 -0.06 0.28 -1.08 0.00 0.00 178.44 177.48 1kn0 h SER 138 N 0.45 1.00 0.03 -0.43 0.02 -0.43 -2.30 113.55 111.88 1kn0 h SER 138 Ca 0.14 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1kn0 h SER 138 Cb 0.03 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.30 1kn0 h SER 138 CO -0.03 1.09 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.67 1kn0 h LEU 139 N 0.88 -0.04 -0.82 5.07 3.38 -0.64 -2.50 115.31 120.64 1kn0 h LEU 139 Ca 0.15 -0.51 0.19 0.00 0.09 0.00 0.00 57.88 57.80 1kn0 h LEU 139 Cb 0.62 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.26 1kn0 h LEU 139 CO 0.04 0.51 0.27 -0.08 0.09 0.00 0.00 178.44 179.27 1kn0 h GLU 140 N -0.60 0.32 -0.20 1.13 4.81 -1.11 0.27 114.58 119.21 1kn0 h GLU 140 Ca -0.00 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1kn0 h GLU 140 Cb 0.55 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1kn0 h GLU 140 CO 0.01 0.21 0.04 -0.22 -0.73 0.00 0.00 179.01 178.32 1kn0 h LYS 141 N 0.33 0.32 -0.46 1.92 3.11 -1.41 -1.93 116.57 118.44 1kn0 h LYS 141 Ca 0.49 -0.08 -0.13 0.00 -2.81 0.00 0.00 60.65 58.11 1kn0 h LYS 141 Cb 0.88 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.06 1kn0 h LYS 141 CO -0.53 0.46 -0.24 0.00 -2.81 0.00 0.00 179.45 176.33 1kn0 h ALA 142 N 0.85 0.70 -0.18 5.00 0.00 -0.75 -1.81 119.26 123.07 1kn0 h ALA 142 Ca 0.06 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1kn0 h ALA 142 Cb 0.29 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1kn0 h ALA 142 CO 0.00 0.67 -0.11 0.00 0.00 0.00 0.00 179.25 179.81 1kn0 h ARG 143 N 0.83 0.40 -0.26 0.00 3.08 -0.53 -1.39 114.38 116.51 1kn0 h ARG 143 Ca 0.10 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 1kn0 h ARG 143 Cb 0.81 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1kn0 h ARG 143 CO 0.07 0.72 0.03 0.87 -1.07 0.00 0.00 179.97 180.59 1kn0 h LYS 144 N 0.07 0.44 -0.43 0.04 1.57 -1.38 -2.97 116.57 113.91 1kn0 h LYS 144 Ca 0.04 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1kn0 h LYS 144 Cb 0.61 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1kn0 h LYS 144 CO 0.03 0.57 0.24 0.93 -0.57 0.00 0.00 179.45 180.66 1kn0 h GLU 145 N 0.24 0.60 -0.78 3.15 5.08 -1.36 -2.19 114.58 119.32 1kn0 h GLU 145 Ca 0.08 -0.07 0.11 0.00 -1.00 0.00 0.00 59.36 58.48 1kn0 h GLU 145 Cb 0.35 -0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.40 1kn0 h GLU 145 CO 0.01 0.47 0.40 0.00 -1.00 0.00 0.00 179.01 178.89 1kn0 h ALA 146 N 1.10 1.11 0.85 3.43 0.00 -1.23 0.34 119.26 124.86 1kn0 h ALA 146 Ca 0.15 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1kn0 h ALA 146 Cb 0.04 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1kn0 h ALA 146 CO -0.03 -0.04 -0.41 0.28 0.00 0.00 0.00 179.25 179.05 1kn0 h VAL 147 N 0.63 0.00 -0.96 0.00 2.07 -1.31 -0.13 116.25 116.55 1kn0 h VAL 147 Ca 0.40 -0.17 0.13 0.00 0.82 0.00 0.00 66.70 67.89 1kn0 h VAL 147 Cb 0.47 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.15 1kn0 h VAL 147 CO -0.30 0.00 0.58 0.74 0.02 0.00 0.00 177.57 178.61 1kn0 h THR 148 N -1.31 0.85 -0.29 2.57 2.02 -1.13 0.36 112.91 115.99 1kn0 h THR 148 Ca -0.12 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 1kn0 h THR 148 Cb 0.87 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1kn0 h THR 148 CO 0.19 0.16 0.02 -0.78 0.37 0.00 0.00 175.52 175.48 1kn0 h ASP 149 N 0.88 0.39 -0.04 4.18 3.58 -0.17 -1.36 116.42 123.87 1kn0 h ASP 149 Ca 0.50 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.87 1kn0 h ASP 149 Cb 0.57 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.52 1kn0 h ASP 149 CO -0.30 0.44 -0.05 1.23 -2.88 0.00 0.00 179.24 177.68 1kn0 h GLY 150 N 0.71 0.12 0.88 -0.78 0.00 0.15 -2.45 103.07 101.70 1kn0 h GLY 150 Ca 0.09 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.35 1kn0 h GLY 150 CO 0.00 0.12 0.62 -2.00 0.00 0.00 0.00 176.54 175.27 1kn0 h LEU 151 N -0.38 0.99 0.13 3.11 5.85 -0.58 -1.16 115.31 123.28 1kn0 h LEU 151 Ca 0.00 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1kn0 h LEU 151 Cb 0.59 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1kn0 h LEU 151 CO 0.01 0.66 -0.06 0.11 -0.34 0.00 0.00 178.44 178.82 1kn0 h LYS 152 N 1.14 -0.17 -0.12 1.25 1.57 -1.26 -1.98 116.57 117.00 1kn0 h LYS 152 Ca 0.39 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.22 1kn0 h LYS 152 Cb 0.10 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1kn0 h LYS 152 CO -0.14 0.12 0.12 0.00 -0.57 0.00 0.00 179.45 178.99 1kn0 h ARG 153 N -0.47 0.00 -0.00 3.15 3.08 -1.08 -1.58 114.38 117.48 1kn0 h ARG 153 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1kn0 h ARG 153 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1kn0 h ARG 153 CO 0.03 0.00 -0.06 0.00 -1.07 0.00 0.00 179.97 178.87 1kn0 h ALA 154 N 1.87 0.01 0.00 0.04 0.00 -0.97 -3.24 119.26 116.97 1kn0 h ALA 154 Ca 0.06 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1kn0 h ALA 154 Cb 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1kn0 h ALA 154 CO -0.00 -0.08 -0.16 -0.07 0.00 0.00 0.00 179.25 178.94 1kn0 h LEU 155 N -0.66 0.00 -1.80 0.00 3.38 -0.84 -2.52 115.31 112.87 1kn0 h LEU 155 Ca -0.01 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.06 1kn0 h LEU 155 Cb 0.79 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1kn0 h LEU 155 CO 0.01 0.16 0.34 0.03 0.09 0.00 0.00 178.44 179.07 1kn0 h ARG 156 N 0.00 0.22 -0.01 1.13 3.08 -1.33 -0.49 114.38 116.98 1kn0 h ARG 156 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1kn0 h ARG 156 Cb 0.44 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1kn0 h ARG 156 CO 0.02 0.15 0.01 0.77 -1.07 0.00 0.00 179.97 179.85 1kn0 h SER 157 N 0.23 0.00 1.11 7.04 0.02 -1.56 -2.16 113.55 118.22 1kn0 h SER 157 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1kn0 h SER 157 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1kn0 h SER 157 CO -0.04 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.14 1kn0 n PHE 158 N -3.73 0.85 0.00 3.45 3.01 -0.19 -5.00 117.46 115.85 1kn0 n PHE 158 Ca -0.03 0.29 0.00 0.00 1.01 0.00 0.00 57.45 58.72 1kn0 n PHE 158 Cb 0.09 -0.97 0.00 0.00 -0.01 0.00 0.00 39.48 38.59 1kn0 n PHE 158 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1kn0 n GLY 159 N 0.68 0.72 0.15 1.37 0.00 -0.81 -4.94 105.19 102.36 1kn0 n GLY 159 Ca 0.04 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.21 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 0.39 0.00 1.61 2.35 -1.57 -1.82 115.58 116.54 1kn0 h ASN 160 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1kn0 h ASN 160 Cb 0.00 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1kn0 h ASN 160 CO 0.00 0.42 0.33 0.00 -1.65 0.00 0.00 177.43 176.54 1kn0 h ALA 161 N 0.98 1.26 -0.20 -0.83 0.00 0.43 0.41 119.26 121.30 1kn0 h ALA 161 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1kn0 h ALA 161 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1kn0 h ALA 161 CO -0.01 -0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.26 1kn0 n LEU 162 N -2.27 2.92 0.00 0.00 4.77 -1.07 -4.91 117.00 116.44 1kn0 n LEU 162 Ca -0.01 -2.43 0.00 0.00 -0.03 0.00 0.00 56.01 53.54 1kn0 n LEU 162 Cb 0.36 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1kn0 n LEU 162 CO 0.07 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1kn0 n GLY 163 N -0.24 1.06 0.18 -0.72 0.00 0.14 -4.03 105.19 101.57 1kn0 n GLY 163 Ca 0.12 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.28 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 0.41 1.61 -1.24 -1.20 -2.90 115.58 112.26 1kn0 h ASN 164 Ca 0.00 0.00 -0.24 0.00 0.71 0.00 0.00 56.30 56.77 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 -1.05 0.00 -1.29 0.00 0.00 177.43 175.09 1kn0 h ILE 166 N 0.18 0.00 0.03 0.00 6.09 -1.84 1.11 117.51 123.09 1kn0 h ILE 166 Ca -0.10 0.00 -0.34 0.00 -1.37 0.00 0.00 64.86 63.05 1kn0 h ILE 166 Cb 1.71 0.16 -0.05 0.00 0.47 0.00 0.00 36.82 39.11 1kn0 h ILE 166 CO 0.18 0.00 -2.00 0.18 -3.07 0.00 0.00 178.15 173.44 1kn0 n LEU 167 N -2.17 1.41 -4.68 2.19 4.77 -1.24 -4.91 117.00 112.36 1kn0 n LEU 167 Ca -0.00 0.22 -0.47 0.00 -0.03 0.00 0.00 56.01 55.73 1kn0 n LEU 167 Cb 0.67 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 1kn0 n LEU 167 CO 0.03 0.59 1.52 -0.67 -1.33 0.00 0.00 177.39 177.54 1kn0 n ASP 168 N -3.13 3.63 -0.09 -1.43 -0.08 0.38 -4.89 116.55 110.95 1kn0 n ASP 168 Ca -0.27 0.96 -0.12 0.00 -1.51 0.00 0.00 54.79 53.85 1kn0 n ASP 168 Cb 1.06 -1.41 -0.04 0.00 2.34 0.00 0.00 41.12 43.07 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 9.56 0.48 -0.94 -0.67 1.57 -1.91 -2.17 116.57 122.49 1kn0 h LYS 169 Ca -0.49 -0.18 0.08 0.00 -1.87 0.00 0.00 60.65 58.20 1kn0 h LYS 169 Cb 1.26 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.48 1kn0 h LYS 169 CO 0.95 0.69 0.61 -0.44 -0.57 0.00 0.00 179.45 180.68 1kn0 h ASP 170 N 0.24 0.91 -0.41 0.86 3.32 -1.95 -1.27 116.42 118.12 1kn0 h ASP 170 Ca 0.07 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1kn0 h ASP 170 Cb 0.50 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1kn0 h ASP 170 CO 0.02 0.56 0.20 0.22 -1.72 0.00 0.00 179.24 178.53 1kn0 h TYR 171 N 1.02 0.58 0.15 4.55 3.20 -1.82 -2.78 116.97 121.86 1kn0 h TYR 171 Ca 0.42 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.26 1kn0 h TYR 171 Cb 0.28 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1kn0 h TYR 171 CO -0.00 0.47 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.80 1kn0 h LEU 172 N 0.52 -0.29 -0.84 2.82 3.38 -0.61 -2.60 115.31 117.68 1kn0 h LEU 172 Ca 0.14 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.27 1kn0 h LEU 172 Cb 0.10 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.85 1kn0 h LEU 172 CO -0.02 -0.18 0.45 0.03 0.09 0.00 0.00 178.44 178.81 1kn0 h ARG 173 N -0.27 0.64 0.00 1.13 3.08 -1.31 0.38 114.38 118.04 1kn0 h ARG 173 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1kn0 h ARG 173 Cb 0.24 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1kn0 h ARG 173 CO -0.00 0.43 0.00 0.43 -1.07 0.00 0.00 179.97 179.75 1kn0 n SER 174 N -4.84 0.33 0.04 7.04 7.64 -1.01 -2.12 113.62 120.70 1kn0 n SER 174 Ca 0.16 0.61 -0.17 0.00 1.01 0.00 0.00 58.87 60.48 1kn0 n SER 174 Cb 0.40 -0.67 -0.14 0.00 -1.01 0.00 0.00 64.21 62.78 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 0.37 -0.47 -3.43 3.38 0.08 -3.35 115.31 111.89 1kn0 h LEU 175 Ca 0.00 -0.58 -0.14 0.00 0.09 0.00 0.00 57.88 57.25 1kn0 h LEU 175 Cb 0.17 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1kn0 h LEU 175 CO 0.00 1.50 -0.24 0.78 0.09 0.00 0.00 178.44 180.57 1kn0 h ASN 176 N 0.06 1.02 0.00 -0.43 2.35 -1.18 -2.69 115.58 114.71 1kn0 h ASN 176 Ca -0.29 -0.41 0.00 0.00 -0.55 0.00 0.00 56.30 55.06 1kn0 h ASN 176 Cb 2.03 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 40.11 1kn0 h ASN 176 CO 0.14 1.20 0.00 0.29 -1.65 0.00 0.00 177.43 177.41 1kn0 n LYS 177 N -4.11 0.50 -4.33 0.81 5.02 -1.06 -4.72 118.16 110.26 1kn0 n LYS 177 Ca -0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 1kn0 n LYS 177 Cb 0.47 -1.25 -0.12 0.00 -0.02 0.00 0.00 35.03 34.12 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 2.41 -0.45 -0.35 1.43 -1.02 -5.06 118.68 115.65 1kn0 s LEU 178 Ca 0.00 -0.83 -0.28 0.00 -1.03 0.00 0.00 54.13 51.99 1kn0 s LEU 178 Cb 0.00 -0.88 -0.09 0.00 0.03 0.00 0.00 46.19 45.26 1kn0 s LEU 178 CO 0.00 -0.00 2.37 -2.65 0.23 0.00 0.00 176.35 176.30 1kn0 n PRO 179 N 0.44 1.18 -1.67 1.29 -0.02 -1.26 -4.81 135.00 130.15 1kn0 n PRO 179 Ca -0.14 0.17 -0.16 0.00 -2.02 0.00 0.00 63.50 61.34 1kn0 n PRO 179 Cb 0.56 -3.07 -0.10 0.00 -0.02 0.00 0.00 33.50 30.87 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 7.58 1.42 0.95 -0.52 3.00 -1.26 -4.89 118.95 125.24 1kn0 s ARG 180 Ca 1.04 -0.36 -0.11 0.00 -1.00 0.00 0.00 55.73 55.30 1kn0 s ARG 180 Cb -0.42 -4.98 0.14 0.00 0.00 0.00 0.00 34.95 29.70 1kn0 s ARG 180 CO 0.34 -5.12 1.00 0.00 0.00 0.00 0.00 175.30 171.52 1kn0 n GLN 181 N 8.31 -0.62 -3.83 5.12 10.64 -1.26 -5.02 117.38 130.73 1kn0 n GLN 181 Ca 0.43 -0.12 -0.31 0.00 -1.83 0.00 0.00 57.00 55.16 1kn0 n GLN 181 Cb 0.46 -2.27 -0.04 0.00 -0.86 0.00 0.00 30.24 27.53 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 -5.68 4.33 0.13 2.61 2.96 -1.26 -5.03 118.68 116.72 1kn0 s LEU 182 Ca 0.65 0.39 -0.25 0.00 -0.22 0.00 0.00 54.13 54.69 1kn0 s LEU 182 Cb -0.23 -3.09 -0.15 0.00 0.50 0.00 0.00 46.19 43.23 1kn0 s LEU 182 CO 0.60 0.13 0.54 -2.65 -1.32 0.00 0.00 176.35 173.64 1kn0 n PRO 183 N 0.21 0.00 -2.59 0.98 -0.02 -1.26 -4.89 135.00 127.42 1kn0 n PRO 183 Ca -0.04 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.03 1kn0 n PRO 183 Cb 0.51 -0.92 -0.05 0.00 -0.02 0.00 0.00 33.50 33.02 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 1.91 4.56 0.00 2.45 2.01 -1.26 -5.01 118.68 123.33 1kn0 s LEU 184 Ca 0.58 2.08 -0.29 0.00 0.01 0.00 0.00 54.13 56.51 1kn0 s LEU 184 Cb -0.84 -3.61 -0.03 0.00 0.01 0.00 0.00 46.19 41.72 1kn0 s LEU 184 CO 0.47 -0.07 0.94 -0.70 1.01 0.00 0.00 176.35 177.99 1kn0 s GLU 185 N -0.91 4.55 -0.43 1.70 2.12 -1.26 -5.01 118.70 119.47 1kn0 s GLU 185 Ca 0.45 1.35 -0.19 0.00 0.36 0.00 0.00 54.97 56.94 1kn0 s GLU 185 Cb -0.29 -3.45 0.02 0.00 0.26 0.00 0.00 34.13 30.68 1kn0 s GLU 185 CO 0.36 -0.01 0.54 0.08 -0.54 0.00 0.00 175.26 175.69 1kn0 s VAL 186 N 0.89 4.96 -0.67 3.70 1.01 -1.26 -5.02 120.40 124.00 1kn0 s VAL 186 Ca 0.49 -0.09 -0.27 0.00 0.00 0.00 0.00 61.98 62.11 1kn0 s VAL 186 Cb -0.21 -4.12 0.02 0.00 0.00 0.00 0.00 36.38 32.07 1kn0 s VAL 186 CO 0.27 -0.50 1.35 -0.62 0.00 0.00 0.00 175.10 175.60 1kn0 s ASP 187 N 1.90 6.10 -0.23 3.32 2.15 -1.26 -4.87 116.67 123.78 1kn0 s ASP 187 Ca 0.18 -0.17 0.04 0.00 0.43 0.00 0.00 52.55 53.02 1kn0 s ASP 187 Cb -0.16 -2.55 0.41 0.00 -0.30 0.00 0.00 42.92 40.32 1kn0 s ASP 187 CO 0.16 -1.83 1.47 0.18 -0.17 0.00 0.00 175.17 174.98 1kn0 n LEU 188 N 9.64 4.87 -0.03 -1.34 4.77 -1.26 -4.43 117.00 129.21 1kn0 n LEU 188 Ca 0.07 -2.54 -0.14 0.00 -0.03 0.00 0.00 56.01 53.36 1kn0 n LEU 188 Cb 0.49 -0.68 -0.09 0.00 -2.33 0.00 0.00 43.42 40.81 1kn0 n LEU 188 CO 0.71 0.74 0.48 0.71 -1.33 0.00 0.00 177.39 178.70 1kn0 h THR 189 N 1.00 1.43 -0.54 -5.08 1.35 -2.04 -3.18 112.91 105.84 1kn0 h THR 189 Ca 0.29 -1.64 -0.14 0.00 -0.55 0.00 0.00 66.41 64.37 1kn0 h THR 189 Cb 1.93 2.31 -0.08 0.00 -1.73 0.00 0.00 68.15 70.58 1kn0 h THR 189 CO 0.57 0.46 0.18 0.29 -0.25 0.00 0.00 175.52 176.77 1kn0 n LYS 190 N -4.50 3.19 -1.96 4.72 5.02 -1.26 -4.97 118.16 118.41 1kn0 n LYS 190 Ca -0.08 -2.31 -0.35 0.00 -2.02 0.00 0.00 58.31 53.55 1kn0 n LYS 190 Cb 0.45 -2.00 0.03 0.00 -0.02 0.00 0.00 35.03 33.49 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 -2.36 2.52 0.04 7.82 0.00 -1.20 -4.95 121.76 123.62 1kn0 s ALA 191 Ca 0.41 0.83 -0.30 0.00 0.00 0.00 0.00 51.96 52.90 1kn0 s ALA 191 Cb 0.33 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.99 1kn0 s ALA 191 CO 0.10 -1.16 1.46 0.21 0.00 0.00 0.00 175.76 176.38 1kn0 s LYS 192 N -3.57 4.27 -0.00 0.00 2.20 -1.26 -4.90 119.74 116.47 1kn0 s LYS 192 Ca 0.73 2.08 0.05 0.00 -0.36 0.00 0.00 55.97 58.47 1kn0 s LYS 192 Cb -0.26 -3.52 -0.06 0.00 -1.51 0.00 0.00 37.83 32.48 1kn0 s LYS 192 CO 0.35 -0.59 0.22 0.54 -0.36 0.00 0.00 175.35 175.51 1kn0 n ARG 193 N 5.18 4.76 -3.91 4.03 1.74 -1.26 -5.05 116.66 122.15 1kn0 n ARG 193 Ca 0.14 -0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.12 1kn0 n ARG 193 Cb 0.43 -0.79 -0.07 0.00 -1.02 0.00 0.00 32.46 31.00 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 -1.59 1.01 0.03 5.56 1.03 -1.26 -5.11 119.66 119.33 1kn0 s GLN 194 Ca 0.02 -1.06 -0.19 0.00 0.04 0.00 0.00 55.36 54.17 1kn0 s GLN 194 Cb 0.04 0.36 -0.10 0.00 0.03 0.00 0.00 33.01 33.34 1kn0 s GLN 194 CO 0.22 -0.35 1.28 -0.44 -2.54 0.00 0.00 175.29 173.46 1kn0 h ASP 195 N 2.64 -0.57 -1.99 12.60 3.32 -2.05 -3.46 116.42 126.91 1kn0 h ASP 195 Ca -0.33 0.02 -0.58 0.00 0.02 0.00 0.00 57.03 56.16 1kn0 h ASP 195 Cb 1.22 0.15 0.19 0.00 0.22 0.00 0.00 39.33 41.11 1kn0 h ASP 195 CO 0.52 -0.41 -1.33 -0.11 -1.72 0.00 0.00 179.24 176.19 1kn0 n LEU 196 N -3.80 -4.26 -3.36 1.55 7.94 -1.26 -4.99 117.00 108.82 1kn0 n LEU 196 Ca -0.08 0.53 -0.24 0.00 -1.11 0.00 0.00 56.01 55.11 1kn0 n LEU 196 Cb 0.26 -0.82 -0.09 0.00 0.53 0.00 0.00 43.42 43.30 1kn0 n LEU 196 CO 0.20 -5.08 -0.25 -1.61 -1.11 0.00 0.00 177.39 169.54 1kn0 s GLU 197 N -1.26 0.74 0.22 1.96 0.41 -1.26 -5.04 118.70 114.48 1kn0 s GLU 197 Ca 0.52 -1.50 -0.09 0.00 -0.41 0.00 0.00 54.97 53.50 1kn0 s GLU 197 Cb -0.41 -1.11 0.33 0.00 -1.78 0.00 0.00 34.13 31.16 1kn0 s GLU 197 CO 0.70 -1.28 1.71 -1.35 -0.49 0.00 0.00 175.26 174.55 1kn0 h PRO 198 N 6.34 0.30 -0.16 0.39 0.11 -1.98 0.23 132.00 137.24 1kn0 h PRO 198 Ca 0.14 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.28 1kn0 h PRO 198 Cb 0.98 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 31.96 1kn0 h PRO 198 CO 0.27 0.20 -0.21 1.03 -0.21 0.00 0.00 178.00 179.07 1kn0 h SER 199 N 0.31 -0.66 0.63 -2.05 0.87 -2.00 -0.80 113.55 109.85 1kn0 h SER 199 Ca 0.34 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.98 1kn0 h SER 199 Cb 0.50 0.31 0.01 0.00 -0.44 0.00 0.00 62.40 62.77 1kn0 h SER 199 CO -0.40 -0.26 -0.30 0.58 -0.53 0.00 0.00 176.83 175.92 1kn0 h VAL 200 N -0.25 0.15 -1.33 2.23 2.07 -1.87 -2.86 116.25 114.39 1kn0 h VAL 200 Ca 0.11 -0.34 0.41 0.00 0.82 0.00 0.00 66.70 67.70 1kn0 h VAL 200 Cb 0.42 0.21 -0.11 0.00 -1.52 0.00 0.00 31.29 30.29 1kn0 h VAL 200 CO -0.31 0.02 0.89 -0.08 0.02 0.00 0.00 177.57 178.11 1kn0 h GLU 201 N -1.14 0.12 0.45 1.57 4.57 -0.43 -1.34 114.58 118.37 1kn0 h GLU 201 Ca -0.09 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 1kn0 h GLU 201 Cb 0.69 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 1kn0 h GLU 201 CO 0.14 0.08 -0.22 1.49 -1.18 0.00 0.00 179.01 179.32 1kn0 h GLU 202 N 0.12 -0.58 -0.90 1.92 4.81 -1.07 -2.35 114.58 116.52 1kn0 h GLU 202 Ca 0.77 0.04 0.22 0.00 -0.13 0.00 0.00 59.36 60.25 1kn0 h GLU 202 Cb 2.49 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 31.95 1kn0 h GLU 202 CO -0.31 -0.39 0.61 0.00 -0.73 0.00 0.00 179.01 178.19 1kn0 h ALA 203 N -1.17 2.33 -0.00 2.92 0.00 -1.08 -1.29 119.26 120.97 1kn0 h ALA 203 Ca -0.06 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1kn0 h ALA 203 Cb 0.46 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1kn0 h ALA 203 CO 0.10 -0.61 -0.00 -0.09 0.00 0.00 0.00 179.25 178.65 1kn0 h ARG 204 N 0.33 0.00 -0.94 0.00 2.43 -1.33 -2.67 114.38 112.19 1kn0 h ARG 204 Ca 0.47 -0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.74 1kn0 h ARG 204 Cb 1.29 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.76 1kn0 h ARG 204 CO -0.15 0.48 0.60 -0.92 -1.51 0.00 0.00 179.97 178.47 1kn0 h TYR 205 N -0.48 1.03 0.00 2.20 3.20 -0.70 0.44 116.97 122.67 1kn0 h TYR 205 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1kn0 h TYR 205 Cb 0.48 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1kn0 h TYR 205 CO 0.09 0.44 0.00 0.09 -1.64 0.00 0.00 178.16 177.15 1kn0 n ASN 206 N -4.56 0.00 -0.62 -2.11 3.02 -0.74 -2.65 115.26 107.61 1kn0 n ASN 206 Ca 0.17 -0.45 0.13 0.00 -0.03 0.00 0.00 54.58 54.40 1kn0 n ASN 206 Cb 0.33 -0.15 0.41 0.00 -0.61 0.00 0.00 39.78 39.76 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 -1.15 1.92 -0.64 6.41 2.88 0.16 -5.08 113.62 118.12 1kn0 n SER 207 Ca 0.16 -1.65 0.08 0.00 -1.33 0.00 0.00 58.87 56.14 1kn0 n SER 207 Cb 0.15 -0.01 0.07 0.00 -0.75 0.00 0.00 64.21 63.67 1kn0 n SER 207 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81