#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 3.81 0.00 0.00 5.36 -1.26 -1.08 117.98 124.81 1kn0 s PHE 26 Ca 0.00 1.76 0.00 0.00 -0.96 0.00 0.00 56.93 57.73 1kn0 s PHE 26 Cb 0.00 -3.01 0.00 0.00 -0.34 0.00 0.00 43.02 39.67 1kn0 s PHE 26 CO 0.00 0.23 0.00 0.41 -1.46 0.00 0.00 175.22 174.40 1kn0 n GLY 27 N 2.23 3.12 0.06 13.12 0.00 0.63 -4.78 105.19 119.57 1kn0 n GLY 27 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.87 0.37 -1.07 1.61 1.13 -1.15 -4.23 117.38 112.17 1kn0 n GLN 28 Ca 0.00 0.32 -0.36 0.00 -1.94 0.00 0.00 57.00 55.02 1kn0 n GLN 28 Cb 0.00 -1.34 -0.02 0.00 0.11 0.00 0.00 30.24 28.99 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 -0.78 2.19 0.32 0.00 -0.21 -1.26 -3.40 119.66 116.51 1kn0 s GLN 30 Ca 0.49 -0.88 -0.29 0.00 0.02 0.00 0.00 55.36 54.70 1kn0 s GLN 30 Cb -0.65 -2.13 -0.10 0.00 1.00 0.00 0.00 33.01 31.13 1kn0 s GLN 30 CO 0.46 0.57 1.28 0.71 -2.12 0.00 0.00 175.29 176.19 1kn0 s TYR 31 N -0.67 3.14 0.60 0.91 1.51 -1.26 -5.01 117.35 116.57 1kn0 s TYR 31 Ca 0.11 1.44 -0.12 0.00 -1.01 0.00 0.00 57.07 57.49 1kn0 s TYR 31 Cb -0.10 -3.62 -0.04 0.00 -0.11 0.00 0.00 41.96 38.09 1kn0 s TYR 31 CO -0.00 -1.67 1.02 0.95 -1.11 0.00 0.00 175.55 174.74 1kn0 s THR 32 N -1.07 4.59 0.26 -0.71 -4.23 -1.26 -4.81 115.64 108.42 1kn0 s THR 32 Ca 0.49 0.93 -0.02 0.00 -1.18 0.00 0.00 61.69 61.91 1kn0 s THR 32 Cb -0.38 -3.78 0.25 0.00 1.34 0.00 0.00 72.50 69.92 1kn0 s THR 32 CO 0.50 -1.01 1.83 0.00 -0.54 0.00 0.00 174.62 175.40 1kn0 h ALA 33 N -0.06 1.33 0.20 3.99 0.00 -1.99 0.73 119.26 123.46 1kn0 h ALA 33 Ca -0.45 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1kn0 h ALA 33 Cb 1.19 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1kn0 h ALA 33 CO 0.61 0.18 -0.13 0.93 0.00 0.00 0.00 179.25 180.85 1kn0 h GLU 34 N 0.91 -0.31 -0.60 0.00 3.07 -2.00 -1.07 114.58 114.58 1kn0 h GLU 34 Ca 0.44 0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 59.22 1kn0 h GLU 34 Cb 0.39 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 1kn0 h GLU 34 CO -0.25 -0.20 -0.01 1.49 -1.40 0.00 0.00 179.01 178.64 1kn0 h GLU 35 N -0.32 1.07 0.48 2.33 4.81 -1.85 -2.05 114.58 119.05 1kn0 h GLU 35 Ca -0.02 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 58.85 1kn0 h GLU 35 Cb 0.27 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1kn0 h GLU 35 CO 0.02 1.05 -0.41 -0.92 -0.73 0.00 0.00 179.01 178.01 1kn0 h TYR 36 N 0.97 -1.12 -0.65 0.92 3.20 -0.69 -1.54 116.97 118.05 1kn0 h TYR 36 Ca 0.17 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.13 1kn0 h TYR 36 Cb 0.57 0.43 -0.07 0.00 1.54 0.00 0.00 36.73 39.20 1kn0 h TYR 36 CO 0.04 -0.58 0.29 0.37 -1.64 0.00 0.00 178.16 176.64 1kn0 h GLN 37 N -0.89 0.49 0.04 1.82 4.15 -1.16 0.24 115.11 119.79 1kn0 h GLN 37 Ca -0.05 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 1kn0 h GLN 37 Cb 0.77 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.35 1kn0 h GLN 37 CO -0.03 0.32 -0.02 0.00 -1.93 0.00 0.00 178.83 177.18 1kn0 h ALA 38 N 1.42 -0.06 -0.38 3.38 0.00 -1.22 -1.38 119.26 121.02 1kn0 h ALA 38 Ca 0.32 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 1kn0 h ALA 38 Cb 0.36 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1kn0 h ALA 38 CO -0.28 -0.53 -0.02 0.82 0.00 0.00 0.00 179.25 179.23 1kn0 h ILE 39 N -0.06 1.26 -0.91 0.00 2.04 -1.00 -0.33 117.51 118.52 1kn0 h ILE 39 Ca -0.00 -1.04 0.08 0.00 1.00 0.00 0.00 64.86 64.89 1kn0 h ILE 39 Cb 0.05 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 1kn0 h ILE 39 CO 0.01 0.35 0.59 -0.61 0.00 0.00 0.00 178.15 178.48 1kn0 h GLN 40 N 0.49 0.96 0.09 2.37 5.75 -0.38 0.94 115.11 125.32 1kn0 h GLN 40 Ca 0.10 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1kn0 h GLN 40 Cb 0.50 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.84 1kn0 h GLN 40 CO 0.02 0.63 -0.04 0.87 -2.65 0.00 0.00 178.83 177.67 1kn0 h LYS 41 N 0.99 -0.11 -0.58 1.69 1.57 -0.98 -3.30 116.57 115.84 1kn0 h LYS 41 Ca 0.41 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.26 1kn0 h LYS 41 Cb 0.29 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1kn0 h LYS 41 CO -0.17 0.42 0.39 0.00 -0.57 0.00 0.00 179.45 179.53 1kn0 h ALA 42 N -0.06 1.86 0.00 3.86 0.00 -0.72 -1.64 119.26 122.56 1kn0 h ALA 42 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1kn0 h ALA 42 Cb 0.59 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1kn0 h ALA 42 CO 0.02 0.04 -0.04 -0.07 0.00 0.00 0.00 179.25 179.19 1kn0 h LEU 43 N 0.53 0.00 -1.10 0.00 3.38 -0.90 -2.38 115.31 114.83 1kn0 h LEU 43 Ca 0.25 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.14 1kn0 h LEU 43 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1kn0 h LEU 43 CO -0.07 0.04 -0.32 0.03 0.09 0.00 0.00 178.44 178.21 1kn0 h ARG 44 N 0.00 0.23 -6.36 1.13 3.08 -1.40 0.29 114.38 111.34 1kn0 h ARG 44 Ca -0.00 -0.09 -0.59 0.00 0.07 0.00 0.00 59.98 59.37 1kn0 h ARG 44 Cb 0.14 -0.01 0.16 0.00 0.08 0.00 0.00 29.97 30.34 1kn0 h ARG 44 CO 0.01 0.53 -0.52 1.04 -1.07 0.00 0.00 179.97 179.95 1kn0 n GLN 45 N -4.11 0.45 -3.95 0.04 6.02 -0.90 -4.53 117.38 110.40 1kn0 n GLN 45 Ca -0.01 0.17 -0.30 0.00 -0.01 0.00 0.00 57.00 56.85 1kn0 n GLN 45 Cb 0.41 -1.51 -0.04 0.00 1.02 0.00 0.00 30.24 30.11 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 -1.72 3.32 0.41 -1.09 0.52 -1.26 -1.33 118.95 117.81 1kn0 s ARG 46 Ca 0.65 -0.52 -0.23 0.00 -0.52 0.00 0.00 55.73 55.11 1kn0 s ARG 46 Cb -0.51 -2.96 -0.09 0.00 0.52 0.00 0.00 34.95 31.91 1kn0 s ARG 46 CO 0.58 0.58 1.01 -0.51 0.02 0.00 0.00 175.30 176.99 1kn0 s LEU 47 N -2.62 4.06 0.89 2.53 2.01 -1.26 -4.95 118.68 119.35 1kn0 s LEU 47 Ca 0.34 1.92 -0.14 0.00 0.01 0.00 0.00 54.13 56.26 1kn0 s LEU 47 Cb -0.12 -4.32 0.15 0.00 0.01 0.00 0.00 46.19 41.91 1kn0 s LEU 47 CO 0.27 -0.48 1.25 -0.83 1.01 0.00 0.00 176.35 177.57 1kn0 s GLY 48 N -1.78 1.72 0.15 -3.19 0.00 -1.26 -4.93 107.32 98.02 1kn0 s GLY 48 Ca 0.60 -1.03 0.16 0.00 0.00 0.00 0.00 44.72 44.44 1kn0 s GLY 48 CO 0.23 -0.38 1.48 -1.05 0.00 0.00 0.00 173.10 173.38 1kn0 n PRO 49 N -3.55 0.09 0.10 2.90 -0.02 -1.26 -2.00 135.00 131.26 1kn0 n PRO 49 Ca 0.13 0.44 0.10 0.00 -2.02 0.00 0.00 63.50 62.15 1kn0 n PRO 49 Cb 0.60 -1.71 0.44 0.00 -0.02 0.00 0.00 33.50 32.81 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 -1.89 0.14 -0.05 -0.52 4.71 -1.26 -2.92 120.64 118.85 1kn0 n GLU 50 Ca 0.01 0.39 -0.01 0.00 -0.01 0.00 0.00 57.16 57.54 1kn0 n GLU 50 Cb 0.12 -1.78 -0.14 0.00 -1.01 0.00 0.00 31.44 28.64 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 -2.04 0.00 -2.74 -0.32 4.02 -0.85 -5.01 117.16 110.22 1kn0 n TYR 51 Ca 0.02 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.58 1kn0 n TYR 51 Cb 0.21 -0.66 -0.06 0.00 -0.02 0.00 0.00 39.34 38.80 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 -2.80 4.33 0.19 -0.72 -1.09 -1.15 -4.33 121.20 115.64 1kn0 s ILE 52 Ca -0.08 1.42 0.04 0.00 -2.23 0.00 0.00 60.65 59.80 1kn0 s ILE 52 Cb 0.08 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 37.35 1kn0 s ILE 52 CO 0.74 -0.35 0.17 -1.20 -1.23 0.00 0.00 174.94 173.07 1kn0 n SER 53 N -0.78 -0.44 -3.47 3.58 7.64 0.31 -4.96 113.62 115.51 1kn0 n SER 53 Ca 0.07 -2.26 -0.14 0.00 1.01 0.00 0.00 58.87 57.56 1kn0 n SER 53 Cb 0.54 1.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.71 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 -2.34 -0.57 0.21 6.43 1.04 -1.26 -2.07 113.70 115.14 1kn0 s SER 54 Ca 0.23 0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.87 1kn0 s SER 54 Cb 0.01 0.57 -0.05 0.00 0.10 0.00 0.00 66.02 66.65 1kn0 s SER 54 CO 0.16 -0.84 0.06 -0.13 0.98 0.00 0.00 173.24 173.47 1kn0 s ARG 55 N -2.94 1.23 -0.45 4.02 0.52 -0.45 -4.96 118.95 115.93 1kn0 s ARG 55 Ca -0.03 -1.64 -0.12 0.00 -0.52 0.00 0.00 55.73 53.43 1kn0 s ARG 55 Cb -0.01 -0.16 0.09 0.00 0.52 0.00 0.00 34.95 35.39 1kn0 s ARG 55 CO -0.06 -0.24 0.33 1.41 0.02 0.00 0.00 175.30 176.76 1kn0 s MET 56 N -4.00 2.73 0.16 3.54 1.75 -1.26 -1.18 119.30 121.03 1kn0 s MET 56 Ca 0.32 -1.49 -0.34 0.00 -1.25 0.00 0.00 55.69 52.93 1kn0 s MET 56 Cb 0.07 -3.95 -0.15 0.00 2.84 0.00 0.00 34.83 33.64 1kn0 s MET 56 CO 0.09 -1.04 1.38 0.00 -0.65 0.00 0.00 175.02 174.80 1kn0 n ALA 57 N 5.03 0.15 -1.53 4.11 0.00 -0.14 -4.72 120.51 123.40 1kn0 n ALA 57 Ca -0.11 0.46 -0.35 0.00 0.00 0.00 0.00 53.44 53.45 1kn0 n ALA 57 Cb 0.43 -2.18 -0.08 0.00 0.00 0.00 0.00 19.45 17.62 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 2.57 -0.08 2.62 0.00 0.00 -1.26 -0.72 105.19 108.32 1kn0 n GLY 58 Ca 0.16 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.92 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 6.20 2.12 0.00 -0.02 0.00 -1.26 -4.98 105.19 107.26 1kn0 n GLY 59 Ca 0.48 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.13 0.00 -0.02 0.00 0.10 -5.08 105.19 98.06 1kn0 n GLY 60 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.36 2.48 -2.90 1.61 3.00 -1.26 -4.25 117.38 114.71 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 1.20 4.29 -0.23 -1.09 2.20 -1.26 -0.97 119.74 123.88 1kn0 s LYS 62 Ca 0.00 0.99 -0.07 0.00 -0.36 0.00 0.00 55.97 56.53 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 0.06 0.08 -0.36 0.00 0.00 175.35 174.81 1kn0 s VAL 63 N 2.13 4.34 0.22 4.02 1.01 -0.32 -4.94 120.40 126.86 1kn0 s VAL 63 Ca 0.38 -0.17 -0.16 0.00 0.00 0.00 0.00 61.98 62.03 1kn0 s VAL 63 Cb -0.16 -3.01 -0.08 0.00 0.00 0.00 0.00 36.38 33.13 1kn0 s VAL 63 CO 0.12 0.37 0.66 0.00 0.00 0.00 0.00 175.10 176.25 1kn0 s TYR 65 N -1.64 -0.22 -0.12 0.00 -0.85 -0.88 -4.95 117.35 108.69 1kn0 s TYR 65 Ca 0.44 -0.16 -0.01 0.00 -0.52 0.00 0.00 57.07 56.83 1kn0 s TYR 65 Cb -0.14 0.67 -0.02 0.00 0.38 0.00 0.00 41.96 42.84 1kn0 s TYR 65 CO 0.20 -1.05 -0.09 0.42 -1.52 0.00 0.00 175.55 173.50 1kn0 s ILE 66 N -3.69 3.40 0.45 -3.49 1.01 -1.26 -0.53 121.20 117.09 1kn0 s ILE 66 Ca 0.10 -0.55 -0.24 0.00 0.00 0.00 0.00 60.65 59.96 1kn0 s ILE 66 Cb -0.04 -2.44 -0.08 0.00 0.01 0.00 0.00 42.46 39.91 1kn0 s ILE 66 CO 0.03 0.53 1.26 -1.61 0.00 0.00 0.00 174.94 175.15 1kn0 s GLU 67 N 0.14 3.77 0.15 2.79 2.02 -1.26 -4.86 118.70 121.44 1kn0 s GLU 67 Ca -0.04 2.03 -0.31 0.00 0.02 0.00 0.00 54.97 56.67 1kn0 s GLU 67 Cb -0.14 -2.56 -0.07 0.00 0.10 0.00 0.00 34.13 31.45 1kn0 s GLU 67 CO 0.04 -0.62 1.55 0.78 0.02 0.00 0.00 175.26 177.03 1kn0 h GLY 68 N 2.28 -0.87 1.72 -1.39 0.00 -1.98 0.13 103.07 102.96 1kn0 h GLY 68 Ca -0.50 0.72 0.01 0.00 0.00 0.00 0.00 47.33 47.57 1kn0 h GLY 68 CO 0.61 -0.07 0.13 1.12 0.00 0.00 0.00 176.54 178.32 1kn0 h HIS 69 N -0.25 0.00 0.37 5.60 2.07 -1.99 -1.47 115.15 119.48 1kn0 h HIS 69 Ca 0.12 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.62 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 -0.82 0.00 -0.18 0.00 -3.07 0.00 0.00 177.93 173.86 1kn0 h ARG 70 N 0.00 -0.48 -0.98 5.12 2.47 -1.34 -2.29 114.38 116.89 1kn0 h ARG 70 Ca 0.02 0.03 0.17 0.00 -1.26 0.00 0.00 59.98 58.94 1kn0 h ARG 70 Cb 0.27 0.11 -0.10 0.00 -1.65 0.00 0.00 29.97 28.60 1kn0 h ARG 70 CO -0.00 -0.20 0.59 0.28 0.56 0.00 0.00 179.97 181.20 1kn0 h VAL 71 N -1.03 0.75 0.50 2.04 2.07 -1.09 0.22 116.25 119.73 1kn0 h VAL 71 Ca -0.05 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1kn0 h VAL 71 Cb 0.50 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1kn0 h VAL 71 CO 0.08 0.14 -0.24 0.40 0.02 0.00 0.00 177.57 177.98 1kn0 h ILE 72 N 0.79 0.51 -0.71 4.57 2.04 -1.32 -1.25 117.51 122.14 1kn0 h ILE 72 Ca 0.54 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 66.37 1kn0 h ILE 72 Cb 0.77 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1kn0 h ILE 72 CO -0.36 0.00 0.39 0.78 0.00 0.00 0.00 178.15 178.96 1kn0 h ASN 73 N -0.69 0.87 -0.63 1.72 2.35 -0.64 -0.07 115.58 118.49 1kn0 h ASN 73 Ca -0.07 -0.07 0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1kn0 h ASN 73 Cb 0.52 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.61 1kn0 h ASN 73 CO 0.11 0.70 0.32 -0.07 -1.65 0.00 0.00 177.43 176.85 1kn0 h LEU 74 N 0.98 0.45 -0.27 1.61 3.38 -0.33 -1.25 115.31 119.89 1kn0 h LEU 74 Ca 0.25 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 1kn0 h LEU 74 Cb 0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1kn0 h LEU 74 CO -0.04 0.28 -0.14 0.00 0.09 0.00 0.00 178.44 178.63 1kn0 h ALA 75 N 1.36 0.38 0.00 1.53 0.00 -0.44 -0.77 119.26 121.32 1kn0 h ALA 75 Ca 0.29 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1kn0 h ALA 75 Cb 0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1kn0 h ALA 75 CO -0.21 0.26 -0.03 -0.91 0.00 0.00 0.00 179.25 178.37 1kn0 h ASN 76 N 0.31 0.00 0.21 0.00 2.35 -0.62 0.45 115.58 118.27 1kn0 h ASN 76 Ca 0.06 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.52 1kn0 h ASN 76 Cb 0.66 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.06 1kn0 h ASN 76 CO 0.04 0.03 -1.29 -0.33 -1.65 0.00 0.00 177.43 174.23 1kn0 h GLU 77 N 0.00 0.44 -0.61 0.81 4.39 -0.99 0.12 114.58 118.73 1kn0 h GLU 77 Ca -0.00 -0.75 -0.08 0.00 0.34 0.00 0.00 59.36 58.87 1kn0 h GLU 77 Cb 0.05 0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1kn0 h GLU 77 CO 0.00 1.36 0.07 0.52 -1.16 0.00 0.00 179.01 179.81 1kn0 h MET 78 N -0.04 1.02 0.00 2.33 2.86 -0.63 -3.36 114.93 117.11 1kn0 h MET 78 Ca -0.23 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.13 1kn0 h MET 78 Cb 1.98 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 33.52 1kn0 h MET 78 CO 0.22 0.95 -0.33 1.19 1.06 0.00 0.00 176.91 180.01 1kn0 n PHE 79 N -4.21 0.00 0.00 -0.22 3.01 0.10 -4.93 117.46 111.21 1kn0 n PHE 79 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1kn0 n PHE 79 Cb 0.30 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 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 1.21 0.32 0.38 1.37 0.00 0.40 -2.97 105.19 105.90 1kn0 n GLY 80 Ca 0.01 -1.53 0.20 0.00 0.00 0.00 0.00 46.02 44.69 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 0.00 -0.17 1.61 -0.00 -1.89 -0.42 116.97 116.10 1kn0 h TYR 81 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.69 1kn0 h TYR 81 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.71 1kn0 h TYR 81 CO 0.00 0.00 -0.07 0.27 -0.00 0.00 0.00 178.16 178.36 1kn0 n ASN 82 N -3.67 2.89 -0.00 0.10 6.94 -1.26 -4.57 115.26 115.69 1kn0 n ASN 82 Ca 0.07 -3.29 0.08 0.00 -0.02 0.00 0.00 54.58 51.42 1kn0 n ASN 82 Cb 0.61 -0.53 -0.11 0.00 -2.36 0.00 0.00 39.78 37.39 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 -0.99 -0.70 3.09 4.83 0.00 -0.17 -4.79 105.19 106.47 1kn0 n GLY 83 Ca 0.22 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.78 0.55 0.13 1.61 1.48 -1.26 -1.08 118.94 117.61 1kn0 s TRP 84 Ca 0.04 -0.95 -0.14 0.00 -1.06 0.00 0.00 56.10 53.99 1kn0 s TRP 84 Cb 0.13 -0.38 0.02 0.00 -1.16 0.00 0.00 33.47 32.08 1kn0 s TRP 84 CO 0.73 -0.30 0.38 0.00 -4.06 0.00 0.00 176.95 173.69 1kn0 s ALA 85 N -3.44 -0.73 0.03 2.67 0.00 0.43 -4.97 121.76 115.76 1kn0 s ALA 85 Ca 0.04 -0.24 -0.12 0.00 0.00 0.00 0.00 51.96 51.63 1kn0 s ALA 85 Cb 0.04 0.70 0.01 0.00 0.00 0.00 0.00 23.12 23.88 1kn0 s ALA 85 CO -0.07 -0.65 0.26 -3.38 0.00 0.00 0.00 175.76 171.92 1kn0 s HIS 86 N -3.84 -0.06 0.08 0.00 -3.43 -1.26 0.54 115.29 107.32 1kn0 s HIS 86 Ca 0.06 -0.06 -0.05 0.00 -0.80 0.00 0.00 55.06 54.21 1kn0 s HIS 86 Cb 0.02 0.05 -0.02 0.00 -1.43 0.00 0.00 32.58 31.20 1kn0 s HIS 86 CO -0.09 -0.45 0.09 -1.54 -2.00 0.00 0.00 174.74 170.75 1kn0 s SER 87 N -1.91 0.29 -0.43 7.38 1.04 -0.19 -4.98 113.70 114.90 1kn0 s SER 87 Ca -0.07 -0.86 -0.17 0.00 0.48 0.00 0.00 55.95 55.33 1kn0 s SER 87 Cb -0.02 0.28 0.03 0.00 0.10 0.00 0.00 66.02 66.41 1kn0 s SER 87 CO -0.02 -0.68 0.41 -0.63 0.98 0.00 0.00 173.24 173.30 1kn0 s ILE 88 N -3.91 5.13 0.16 -1.02 1.01 -1.26 -1.46 121.20 119.85 1kn0 s ILE 88 Ca 0.08 -0.48 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 1kn0 s ILE 88 Cb 0.06 -4.03 0.03 0.00 0.01 0.00 0.00 42.46 38.53 1kn0 s ILE 88 CO -0.09 -0.43 1.61 0.74 0.00 0.00 0.00 174.94 176.78 1kn0 h THR 89 N 5.71 1.26 -1.58 2.92 2.02 -0.60 -3.47 112.91 119.18 1kn0 h THR 89 Ca -0.27 -1.11 0.07 0.00 0.77 0.00 0.00 66.41 65.88 1kn0 h THR 89 Cb 1.11 0.93 -0.24 0.00 -1.74 0.00 0.00 68.15 68.21 1kn0 h THR 89 CO 0.79 0.39 0.51 -1.58 0.37 0.00 0.00 175.52 176.00 1kn0 s GLN 90 N -5.01 0.57 -0.08 6.66 0.74 -1.17 -4.99 119.66 116.39 1kn0 s GLN 90 Ca -0.12 0.30 0.01 0.00 0.05 0.00 0.00 55.36 55.60 1kn0 s GLN 90 Cb 0.12 0.27 0.02 0.00 1.10 0.00 0.00 33.01 34.53 1kn0 s GLN 90 CO 0.83 -0.15 -0.08 -1.14 -0.55 0.00 0.00 175.29 174.21 1kn0 s GLN 91 N -0.65 1.34 -0.11 1.67 0.74 -1.26 -0.19 119.66 121.21 1kn0 s GLN 91 Ca -0.00 -0.24 0.02 0.00 0.05 0.00 0.00 55.36 55.19 1kn0 s GLN 91 Cb -0.02 -1.31 0.01 0.00 1.10 0.00 0.00 33.01 32.80 1kn0 s GLN 91 CO -0.01 -0.14 -0.17 1.21 -0.55 0.00 0.00 175.29 175.64 1kn0 s ASN 92 N 1.23 2.55 -0.49 6.67 2.47 -0.37 -5.00 114.94 122.00 1kn0 s ASN 92 Ca -0.05 -0.46 -0.29 0.00 0.42 0.00 0.00 52.86 52.49 1kn0 s ASN 92 Cb -0.14 -1.15 0.03 0.00 -1.45 0.00 0.00 41.25 38.54 1kn0 s ASN 92 CO -0.02 0.04 1.13 -0.69 -3.72 0.00 0.00 177.10 173.84 1kn0 s VAL 93 N 0.89 4.20 0.18 -5.21 1.01 -1.26 -1.30 120.40 118.90 1kn0 s VAL 93 Ca -0.08 1.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.96 1kn0 s VAL 93 Cb -0.15 -4.61 0.04 0.00 0.00 0.00 0.00 36.38 31.66 1kn0 s VAL 93 CO -0.00 -1.04 1.61 0.44 0.00 0.00 0.00 175.10 176.10 1kn0 h ASP 94 N 9.26 1.02 -4.36 3.32 3.32 -0.59 -3.47 116.42 124.91 1kn0 h ASP 94 Ca -0.23 -0.33 0.15 0.00 0.02 0.00 0.00 57.03 56.64 1kn0 h ASP 94 Cb 1.06 -0.28 -0.18 0.00 0.22 0.00 0.00 39.33 40.15 1kn0 h ASP 94 CO 1.13 1.12 0.62 0.72 -1.72 0.00 0.00 179.24 181.11 1kn0 s PHE 95 N -4.85 -0.27 -0.34 4.55 -0.12 -1.07 -4.97 117.98 110.92 1kn0 s PHE 95 Ca -0.11 0.24 -0.00 0.00 -0.05 0.00 0.00 56.93 57.01 1kn0 s PHE 95 Cb 0.13 0.51 0.14 0.00 -0.63 0.00 0.00 43.02 43.17 1kn0 s PHE 95 CO 0.86 -0.38 0.22 0.08 -0.05 0.00 0.00 175.22 175.95 1kn0 s VAL 96 N -2.45 0.02 0.08 -2.49 1.01 -1.26 -2.06 120.40 113.25 1kn0 s VAL 96 Ca 0.05 -1.42 0.01 0.00 0.00 0.00 0.00 61.98 60.63 1kn0 s VAL 96 Cb -0.01 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1kn0 s VAL 96 CO -0.06 -0.88 0.20 -1.81 0.00 0.00 0.00 175.10 172.55 1kn0 s ASP 97 N 1.33 6.20 -0.25 3.32 1.01 -0.36 -4.95 116.67 122.97 1kn0 s ASP 97 Ca 0.16 0.20 0.02 0.00 0.71 0.00 0.00 52.55 53.64 1kn0 s ASP 97 Cb -0.21 -1.86 0.06 0.00 1.01 0.00 0.00 42.92 41.92 1kn0 s ASP 97 CO -0.07 0.15 -0.10 -0.22 0.21 0.00 0.00 175.17 175.15 1kn0 s LEU 98 N -2.60 3.14 -0.34 1.23 2.96 -1.26 -0.83 118.68 120.97 1kn0 s LEU 98 Ca 0.34 -1.31 0.01 0.00 -0.22 0.00 0.00 54.13 52.95 1kn0 s LEU 98 Cb -0.13 -1.44 0.09 0.00 0.50 0.00 0.00 46.19 45.22 1kn0 s LEU 98 CO 0.27 -0.20 0.07 0.20 -1.32 0.00 0.00 176.35 175.37 1kn0 s ASN 99 N 1.19 4.91 -0.63 3.68 0.01 -0.50 -4.85 114.94 118.76 1kn0 s ASN 99 Ca -0.08 -1.85 -0.16 0.00 -0.71 0.00 0.00 52.86 50.06 1kn0 s ASN 99 Cb -0.19 -1.70 0.02 0.00 0.41 0.00 0.00 41.25 39.79 1kn0 s ASN 99 CO -0.06 -0.39 0.64 -0.46 -1.51 0.00 0.00 177.10 175.33 1kn0 n ASN 100 N 4.45 -5.83 0.00 -1.22 6.94 -1.26 -2.36 115.26 115.98 1kn0 n ASN 100 Ca -0.04 -0.38 0.00 0.00 -0.02 0.00 0.00 54.58 54.15 1kn0 n ASN 100 Cb 0.42 -2.57 0.00 0.00 -2.36 0.00 0.00 39.78 35.27 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 -0.96 0.32 3.55 4.83 0.00 -1.26 -4.95 105.19 106.71 1kn0 n GLY 101 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.59 2.54 -0.13 1.61 1.02 -1.00 -4.36 119.74 118.84 1kn0 s LYS 102 Ca 0.00 -0.70 -0.05 0.00 0.02 0.00 0.00 55.97 55.24 1kn0 s LYS 102 Cb 0.00 -2.46 -0.04 0.00 -0.52 0.00 0.00 37.83 34.81 1kn0 s LYS 102 CO 0.00 0.62 0.05 -0.06 -0.92 0.00 0.00 175.35 175.04 1kn0 s PHE 103 N -0.88 3.30 -0.31 3.18 0.40 -0.25 -1.41 117.98 122.01 1kn0 s PHE 103 Ca 0.14 0.23 0.03 0.00 -0.60 0.00 0.00 56.93 56.73 1kn0 s PHE 103 Cb -0.11 -1.92 0.08 0.00 0.51 0.00 0.00 43.02 41.58 1kn0 s PHE 103 CO 0.04 0.43 -0.02 0.71 0.70 0.00 0.00 175.22 177.08 1kn0 s TYR 104 N -0.50 3.52 -0.07 0.36 1.51 -0.01 -3.65 117.35 118.51 1kn0 s TYR 104 Ca 0.10 -2.70 0.04 0.00 -1.01 0.00 0.00 57.07 53.50 1kn0 s TYR 104 Cb -0.12 -2.49 -0.02 0.00 -0.11 0.00 0.00 41.96 39.23 1kn0 s TYR 104 CO 0.02 -0.92 -0.17 0.08 -1.11 0.00 0.00 175.55 173.45 1kn0 s VAL 105 N 1.00 2.75 -0.11 0.71 1.01 0.40 -1.23 120.40 124.93 1kn0 s VAL 105 Ca 0.03 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1kn0 s VAL 105 Cb -0.19 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.13 1kn0 s VAL 105 CO -0.07 0.57 -0.18 -0.83 0.00 0.00 0.00 175.10 174.60 1kn0 s GLY 106 N -0.36 1.13 0.01 4.51 0.00 -0.87 -2.04 107.32 109.71 1kn0 s GLY 106 Ca 0.03 -0.83 0.02 0.00 0.00 0.00 0.00 44.72 43.94 1kn0 s GLY 106 CO 0.02 0.10 -0.06 0.14 0.00 0.00 0.00 173.10 173.30 1kn0 s VAL 107 N 0.85 0.45 0.15 1.40 1.01 -0.24 0.21 120.40 124.23 1kn0 s VAL 107 Ca -0.09 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 61.43 1kn0 s VAL 107 Cb -0.15 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1kn0 s VAL 107 CO -0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 175.10 174.80 1kn0 s ALA 109 N -1.60 -0.06 -0.23 0.00 0.00 -0.17 -1.23 121.76 118.47 1kn0 s ALA 109 Ca 0.13 -0.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.99 1kn0 s ALA 109 Cb -0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 1kn0 s ALA 109 CO 0.06 -0.06 -0.03 -0.06 0.00 0.00 0.00 175.76 175.67 1kn0 s PHE 110 N -0.39 2.98 -0.07 0.00 0.40 0.74 0.12 117.98 121.76 1kn0 s PHE 110 Ca -0.04 -0.93 0.04 0.00 -0.60 0.00 0.00 56.93 55.39 1kn0 s PHE 110 Cb -0.03 -2.12 -0.02 0.00 0.51 0.00 0.00 43.02 41.37 1kn0 s PHE 110 CO -0.00 -0.55 -0.19 0.08 0.70 0.00 0.00 175.22 175.26 1kn0 s VAL 111 N 1.48 2.58 -0.11 -0.44 1.01 -0.35 0.20 120.40 124.77 1kn0 s VAL 111 Ca 0.05 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1kn0 s VAL 111 Cb -0.14 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 1kn0 s VAL 111 CO -0.03 0.57 -0.15 -0.60 0.00 0.00 0.00 175.10 174.89 1kn0 s ARG 112 N -0.23 3.21 -0.07 2.72 3.52 -0.53 -1.28 118.95 126.28 1kn0 s ARG 112 Ca -0.00 -0.72 0.02 0.00 -0.13 0.00 0.00 55.73 54.90 1kn0 s ARG 112 Cb -0.13 -2.54 -0.02 0.00 -1.56 0.00 0.00 34.95 30.69 1kn0 s ARG 112 CO 0.03 0.27 -0.13 0.08 -0.81 0.00 0.00 175.30 174.74 1kn0 s VAL 113 N 0.19 3.17 0.00 7.11 1.01 0.10 -1.03 120.40 130.96 1kn0 s VAL 113 Ca -0.09 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1kn0 s VAL 113 Cb -0.15 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 1kn0 s VAL 113 CO 0.05 0.58 -0.07 -1.58 0.00 0.00 0.00 175.10 174.08 1kn0 s GLN 114 N -0.53 0.55 0.36 2.72 0.74 0.19 -1.50 119.66 122.18 1kn0 s GLN 114 Ca 0.07 -0.31 0.02 0.00 0.05 0.00 0.00 55.36 55.19 1kn0 s GLN 114 Cb -0.12 -0.51 -0.02 0.00 1.10 0.00 0.00 33.01 33.46 1kn0 s GLN 114 CO 0.02 0.14 0.55 -0.51 -0.55 0.00 0.00 175.29 174.93 1kn0 s LEU 115 N -0.35 3.94 0.63 3.68 1.43 0.08 -0.43 118.68 127.66 1kn0 s LEU 115 Ca 0.01 0.30 0.31 0.00 -1.03 0.00 0.00 54.13 53.72 1kn0 s LEU 115 Cb -0.04 -3.17 1.68 0.00 0.03 0.00 0.00 46.19 44.70 1kn0 s LEU 115 CO -0.00 -0.39 2.00 0.07 0.23 0.00 0.00 176.35 178.26 1kn0 h LYS 116 N 0.72 0.00 -0.01 1.70 2.10 -1.41 0.09 116.57 119.75 1kn0 h LYS 116 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1kn0 h LYS 116 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1kn0 h LYS 116 CO 0.59 0.00 -0.14 -0.40 -2.00 0.00 0.00 179.45 177.51 1kn0 n ASP 117 N -3.35 0.95 0.00 7.07 5.75 -1.22 -0.27 116.55 125.48 1kn0 n ASP 117 Ca 0.01 -0.97 0.00 0.00 -0.01 0.00 0.00 54.79 53.82 1kn0 n ASP 117 Cb 0.41 0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 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 1.26 1.53 3.49 6.12 0.00 0.02 -4.76 105.19 112.86 1kn0 n GLY 118 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.29 -3.61 1.61 2.88 -1.26 -4.68 113.62 108.28 1kn0 n SER 119 Ca 0.00 0.97 -0.11 0.00 -1.33 0.00 0.00 58.87 58.40 1kn0 n SER 119 Cb 0.00 -1.17 -0.05 0.00 -0.75 0.00 0.00 64.21 62.25 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 -1.37 -0.27 -0.10 0.66 -0.85 -1.26 -0.74 117.35 113.41 1kn0 s TYR 120 Ca 0.63 0.06 -0.06 0.00 -0.52 0.00 0.00 57.07 57.18 1kn0 s TYR 120 Cb -0.62 0.29 0.04 0.00 0.38 0.00 0.00 41.96 42.05 1kn0 s TYR 120 CO 0.58 -0.68 0.25 -1.01 -1.52 0.00 0.00 175.55 173.16 1kn0 s HIS 121 N -3.40 -0.31 0.05 -3.49 3.76 -0.57 -4.99 115.29 106.35 1kn0 s HIS 121 Ca 0.00 0.74 0.08 0.00 -0.15 0.00 0.00 55.06 55.74 1kn0 s HIS 121 Cb 0.01 0.07 -0.03 0.00 1.11 0.00 0.00 32.58 33.74 1kn0 s HIS 121 CO -0.09 -0.20 -0.23 -2.00 -0.85 0.00 0.00 174.74 171.38 1kn0 s GLU 122 N 0.85 1.49 0.27 1.40 2.12 -1.26 -0.72 118.70 122.85 1kn0 s GLU 122 Ca -0.06 -1.02 -0.08 0.00 0.36 0.00 0.00 54.97 54.16 1kn0 s GLU 122 Cb -0.07 -1.65 -0.01 0.00 0.26 0.00 0.00 34.13 32.66 1kn0 s GLU 122 CO -0.05 0.42 0.43 0.34 -0.54 0.00 0.00 175.26 175.85 1kn0 s ASP 123 N -1.28 0.22 -0.06 -1.70 -1.08 -0.40 -4.92 116.67 107.45 1kn0 s ASP 123 Ca 0.09 -1.16 -0.04 0.00 -0.52 0.00 0.00 52.55 50.92 1kn0 s ASP 123 Cb -0.09 0.58 -0.04 0.00 -1.46 0.00 0.00 42.92 41.91 1kn0 s ASP 123 CO 0.02 -1.15 0.16 -0.69 0.52 0.00 0.00 175.17 174.04 1kn0 s VAL 124 N -3.75 5.44 0.23 1.11 1.01 -1.26 -1.21 120.40 121.97 1kn0 s VAL 124 Ca 0.27 -0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.34 1kn0 s VAL 124 Cb 0.01 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 1kn0 s VAL 124 CO 0.13 0.45 -0.18 -0.83 0.00 0.00 0.00 175.10 174.67 1kn0 s GLY 125 N -1.55 1.63 -0.00 4.51 0.00 0.33 -4.47 107.32 107.77 1kn0 s GLY 125 Ca 0.22 -1.72 0.02 0.00 0.00 0.00 0.00 44.72 43.24 1kn0 s GLY 125 CO 0.12 -1.80 -0.07 -0.47 0.00 0.00 0.00 173.10 170.89 1kn0 s TYR 126 N -2.53 0.58 -0.02 1.90 5.04 -1.24 -1.00 117.35 120.08 1kn0 s TYR 126 Ca 0.24 -0.12 0.07 0.00 -2.44 0.00 0.00 57.07 54.82 1kn0 s TYR 126 Cb -0.04 -0.37 -0.02 0.00 0.35 0.00 0.00 41.96 41.88 1kn0 s TYR 126 CO 0.10 -0.01 -0.23 0.20 -1.34 0.00 0.00 175.55 174.27 1kn0 s GLY 127 N -0.20 1.14 0.04 8.97 0.00 0.24 -3.76 107.32 113.75 1kn0 s GLY 127 Ca 0.02 -0.99 0.02 0.00 0.00 0.00 0.00 44.72 43.77 1kn0 s GLY 127 CO -0.00 -0.78 -0.07 0.14 0.00 0.00 0.00 173.10 172.39 1kn0 s VAL 128 N -0.46 0.45 -0.17 1.40 1.01 -1.26 -1.08 120.40 120.28 1kn0 s VAL 128 Ca 0.07 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 1kn0 s VAL 128 Cb -0.10 -0.53 0.08 0.00 0.00 0.00 0.00 36.38 35.84 1kn0 s VAL 128 CO -0.00 -0.38 0.33 -0.55 0.00 0.00 0.00 175.10 174.49 1kn0 s SER 129 N -1.49 0.22 0.00 3.32 0.15 -0.87 -4.46 113.70 110.58 1kn0 s SER 129 Ca -0.11 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.15 1kn0 s SER 129 Cb -0.10 0.94 0.00 0.00 -1.71 0.00 0.00 66.02 65.16 1kn0 s SER 129 CO 0.00 -0.25 0.22 -0.62 1.20 0.00 0.00 173.24 173.79 1kn0 n GLU 130 N 5.36 2.72 -0.00 5.44 1.02 -1.26 -0.45 120.64 133.47 1kn0 n GLU 130 Ca -0.06 -0.22 -0.00 0.00 -0.02 0.00 0.00 57.16 56.85 1kn0 n GLU 130 Cb 0.50 -0.70 -0.00 0.00 -0.02 0.00 0.00 31.44 31.22 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 0.45 -0.34 0.00 0.62 0.00 -1.24 -4.56 105.19 100.12 1kn0 n GLY 131 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.54 0.00 0.02 0.99 4.77 -1.26 -3.51 117.00 115.47 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 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1kn0 n LEU 132 CO 0.00 0.00 -0.45 0.29 -1.33 0.00 0.00 177.39 175.90 1kn0 n LYS 133 N 0.00 0.58 -3.08 3.23 5.02 -1.26 -1.09 118.16 121.55 1kn0 n LYS 133 Ca 0.00 -0.09 -0.40 0.00 -2.02 0.00 0.00 58.31 55.80 1kn0 n LYS 133 Cb 0.00 -1.61 -0.05 0.00 -0.02 0.00 0.00 35.03 33.35 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 -4.61 6.82 0.00 4.39 0.15 -1.26 -4.79 113.70 114.41 1kn0 s SER 134 Ca -0.04 0.99 -0.25 0.00 0.70 0.00 0.00 55.95 57.35 1kn0 s SER 134 Cb 0.13 -2.38 -0.19 0.00 -1.71 0.00 0.00 66.02 61.87 1kn0 s SER 134 CO 0.87 -0.22 1.37 0.50 1.20 0.00 0.00 173.24 176.96 1kn0 h LYS 135 N 7.17 -0.02 -0.13 5.44 3.64 -1.97 -2.42 116.57 128.28 1kn0 h LYS 135 Ca -0.35 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.06 1kn0 h LYS 135 Cb 1.16 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.92 1kn0 h LYS 135 CO 0.78 0.35 -0.52 0.00 -2.27 0.00 0.00 179.45 177.79 1kn0 h ALA 136 N 0.58 -0.88 -0.57 5.00 0.00 -2.00 -1.11 119.26 120.28 1kn0 h ALA 136 Ca -0.00 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.97 1kn0 h ALA 136 Cb 0.38 0.99 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1kn0 h ALA 136 CO 0.00 -1.06 0.39 -0.07 0.00 0.00 0.00 179.25 178.51 1kn0 h LEU 137 N -0.56 0.25 -0.41 0.00 4.07 -1.98 -0.54 115.31 116.14 1kn0 h LEU 137 Ca 0.03 0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.93 1kn0 h LEU 137 Cb 0.65 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 1kn0 h LEU 137 CO -0.41 0.14 -0.01 0.28 -1.08 0.00 0.00 178.44 177.36 1kn0 h SER 138 N 0.27 0.72 0.08 -0.43 0.02 -0.71 -2.18 113.55 111.33 1kn0 h SER 138 Ca 0.27 -0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1kn0 h SER 138 Cb 0.68 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1kn0 h SER 138 CO -0.06 0.86 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.38 1kn0 h LEU 139 N 0.56 -0.09 -0.86 5.07 3.38 -0.38 -2.32 115.31 120.66 1kn0 h LEU 139 Ca 0.12 -0.39 0.21 0.00 0.09 0.00 0.00 57.88 57.90 1kn0 h LEU 139 Cb 0.49 0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.15 1kn0 h LEU 139 CO 0.02 0.36 0.34 -0.08 0.09 0.00 0.00 178.44 179.18 1kn0 h GLU 140 N -0.57 0.37 0.14 1.13 4.81 -1.14 0.27 114.58 119.57 1kn0 h GLU 140 Ca -0.01 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1kn0 h GLU 140 Cb 0.48 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1kn0 h GLU 140 CO 0.02 0.24 -0.07 -0.22 -0.73 0.00 0.00 179.01 178.25 1kn0 h LYS 141 N 0.38 -0.18 -0.14 1.92 3.64 -1.35 -2.17 116.57 118.67 1kn0 h LYS 141 Ca 0.53 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.91 1kn0 h LYS 141 Cb 0.97 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1kn0 h LYS 141 CO -0.52 0.09 0.06 0.00 -2.27 0.00 0.00 179.45 176.80 1kn0 h ALA 142 N 0.39 0.19 -0.49 5.00 0.00 -0.68 -0.80 119.26 122.87 1kn0 h ALA 142 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1kn0 h ALA 142 Cb 0.35 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1kn0 h ALA 142 CO 0.03 -0.23 0.32 0.00 0.00 0.00 0.00 179.25 179.37 1kn0 h ARG 143 N 0.09 0.64 -0.17 0.00 3.08 -0.57 -0.59 114.38 116.86 1kn0 h ARG 143 Ca 0.05 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1kn0 h ARG 143 Cb 0.15 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1kn0 h ARG 143 CO -0.00 0.43 0.03 0.87 -1.07 0.00 0.00 179.97 180.23 1kn0 h LYS 144 N 0.66 0.28 -0.58 0.04 1.57 -1.31 -3.01 116.57 114.22 1kn0 h LYS 144 Ca 0.18 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1kn0 h LYS 144 Cb -0.07 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 1kn0 h LYS 144 CO -0.04 0.44 0.37 0.93 -0.57 0.00 0.00 179.45 180.58 1kn0 h GLU 145 N 0.08 0.78 -0.75 3.15 5.08 -0.97 -2.28 114.58 119.66 1kn0 h GLU 145 Ca 0.05 -0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.47 1kn0 h GLU 145 Cb 0.29 -0.17 -0.08 0.00 0.50 0.00 0.00 28.75 29.28 1kn0 h GLU 145 CO 0.00 0.53 0.35 0.00 -1.00 0.00 0.00 179.01 178.90 1kn0 h ALA 146 N 1.20 1.06 0.01 3.43 0.00 -1.05 0.63 119.26 124.54 1kn0 h ALA 146 Ca 0.21 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1kn0 h ALA 146 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1kn0 h ALA 146 CO -0.04 -0.10 -0.01 0.28 0.00 0.00 0.00 179.25 179.38 1kn0 h VAL 147 N 0.56 1.26 -0.58 0.00 2.07 -1.36 0.16 116.25 118.36 1kn0 h VAL 147 Ca 0.39 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1kn0 h VAL 147 Cb 0.50 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 1kn0 h VAL 147 CO -0.33 0.21 0.29 0.74 0.02 0.00 0.00 177.57 178.50 1kn0 h THR 148 N -0.37 1.21 -0.65 2.57 2.02 -0.98 0.90 112.91 117.60 1kn0 h THR 148 Ca -0.00 -0.58 0.03 0.00 0.77 0.00 0.00 66.41 66.63 1kn0 h THR 148 Cb 0.36 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 1kn0 h THR 148 CO 0.00 0.23 0.40 -0.78 0.37 0.00 0.00 175.52 175.74 1kn0 h ASP 149 N 0.79 0.64 -0.01 4.18 3.58 0.35 -0.86 116.42 125.09 1kn0 h ASP 149 Ca 0.20 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1kn0 h ASP 149 Cb 0.11 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.03 1kn0 h ASP 149 CO -0.03 0.44 -0.00 1.23 -2.88 0.00 0.00 179.24 178.00 1kn0 h GLY 150 N 0.77 0.00 0.40 -0.78 0.00 0.09 -1.19 103.07 102.36 1kn0 h GLY 150 Ca 0.26 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.69 1kn0 h GLY 150 CO -0.11 -0.00 0.28 -2.00 0.00 0.00 0.00 176.54 174.70 1kn0 h LEU 151 N -0.00 0.31 -0.29 3.11 5.85 -0.32 0.75 115.31 124.71 1kn0 h LEU 151 Ca 0.00 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1kn0 h LEU 151 Cb 0.01 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1kn0 h LEU 151 CO -0.01 0.17 0.04 0.11 -0.34 0.00 0.00 178.44 178.42 1kn0 h LYS 152 N 0.48 0.49 -0.27 1.25 1.57 -0.96 -1.53 116.57 117.59 1kn0 h LYS 152 Ca 0.33 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1kn0 h LYS 152 Cb 0.40 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1kn0 h LYS 152 CO -0.30 0.60 0.10 0.00 -0.57 0.00 0.00 179.45 179.28 1kn0 h ARG 153 N 0.31 0.38 -0.13 3.15 3.08 -0.43 -1.56 114.38 119.19 1kn0 h ARG 153 Ca 0.09 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.96 1kn0 h ARG 153 Cb 0.35 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1kn0 h ARG 153 CO 0.01 0.33 -0.45 0.00 -1.07 0.00 0.00 179.97 178.78 1kn0 h ALA 154 N 1.73 0.22 -0.23 0.04 0.00 -0.56 -3.17 119.26 117.31 1kn0 h ALA 154 Ca 0.10 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1kn0 h ALA 154 Cb 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1kn0 h ALA 154 CO -0.01 0.37 -0.06 -0.07 0.00 0.00 0.00 179.25 179.48 1kn0 h LEU 155 N 0.14 0.32 -1.51 0.00 3.38 -1.01 -2.43 115.31 114.20 1kn0 h LEU 155 Ca -0.02 -0.06 0.22 0.00 0.09 0.00 0.00 57.88 58.12 1kn0 h LEU 155 Cb 1.08 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 1kn0 h LEU 155 CO 0.10 0.43 0.63 0.03 0.09 0.00 0.00 178.44 179.71 1kn0 h ARG 156 N 0.33 0.36 0.00 1.13 3.08 -1.26 0.49 114.38 118.52 1kn0 h ARG 156 Ca 0.07 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1kn0 h ARG 156 Cb 0.32 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1kn0 h ARG 156 CO 0.01 0.24 0.08 0.77 -1.07 0.00 0.00 179.97 180.01 1kn0 h SER 157 N 0.37 0.00 1.50 7.04 0.02 -1.54 -1.17 113.55 119.78 1kn0 h SER 157 Ca 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 1kn0 h SER 157 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1kn0 h SER 157 CO -0.19 0.00 0.00 -0.26 -1.14 0.00 0.00 176.83 175.24 1kn0 h PHE 158 N 0.00 0.00 0.00 3.45 -1.00 -1.08 -3.49 116.94 114.82 1kn0 h PHE 158 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1kn0 h PHE 158 Cb 0.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.73 1kn0 h PHE 158 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1kn0 n GLY 159 N 1.22 0.79 0.24 -1.45 0.00 -0.44 -4.93 105.19 100.62 1kn0 n GLY 159 Ca 0.05 -1.76 -0.07 0.00 0.00 0.00 0.00 46.02 44.24 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 0.72 0.00 1.61 2.35 -1.62 -1.74 115.58 116.90 1kn0 h ASN 160 Ca 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1kn0 h ASN 160 Cb 0.00 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.19 1kn0 h ASN 160 CO 0.00 0.62 0.03 0.00 -1.65 0.00 0.00 177.43 176.43 1kn0 n ALA 161 N -2.31 0.98 -0.69 -0.83 0.00 0.96 -0.41 120.51 118.19 1kn0 n ALA 161 Ca 0.03 0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.68 1kn0 n ALA 161 Cb 0.10 -1.16 0.19 0.00 0.00 0.00 0.00 19.45 18.58 1kn0 n ALA 161 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1kn0 n LEU 162 N -2.00 3.26 0.00 0.00 4.77 -0.91 -4.91 117.00 117.20 1kn0 n LEU 162 Ca -0.01 -2.66 0.00 0.00 -0.03 0.00 0.00 56.01 53.31 1kn0 n LEU 162 Cb 0.06 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1kn0 n LEU 162 CO 0.06 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1kn0 n GLY 163 N -0.35 0.99 0.06 -0.72 0.00 0.45 -3.83 105.19 101.79 1kn0 n GLY 163 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.28 1kn0 n GLY 163 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kn0 n ASN 164 N 0.00 0.33 0.08 1.61 5.15 -0.70 -2.42 115.26 119.31 1kn0 n ASN 164 Ca 0.00 0.58 -0.14 0.00 -0.60 0.00 0.00 54.58 54.42 1kn0 n ASN 164 Cb 0.00 -0.65 -0.14 0.00 -0.53 0.00 0.00 39.78 38.46 1kn0 n ASN 164 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kn0 h ILE 166 N 0.06 0.00 0.03 0.00 6.09 -1.81 0.77 117.51 122.65 1kn0 h ILE 166 Ca -0.14 0.00 -0.35 0.00 -1.37 0.00 0.00 64.86 63.00 1kn0 h ILE 166 Cb 1.95 0.13 -0.05 0.00 0.47 0.00 0.00 36.82 39.31 1kn0 h ILE 166 CO 0.17 0.00 -2.13 0.18 -3.07 0.00 0.00 178.15 173.30 1kn0 n LEU 167 N -2.07 1.48 -4.68 2.19 4.77 -1.25 -4.93 117.00 112.51 1kn0 n LEU 167 Ca -0.00 0.13 -0.48 0.00 -0.03 0.00 0.00 56.01 55.63 1kn0 n LEU 167 Cb 0.66 -0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 41.45 1kn0 n LEU 167 CO 0.03 0.64 1.46 -0.67 -1.33 0.00 0.00 177.39 177.52 1kn0 n ASP 168 N -3.11 3.45 -0.12 -1.43 -0.08 0.27 -4.88 116.55 110.65 1kn0 n ASP 168 Ca -0.31 0.98 -0.13 0.00 -1.51 0.00 0.00 54.79 53.82 1kn0 n ASP 168 Cb 1.07 -1.39 -0.03 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 8.86 0.87 -0.84 -0.67 1.57 -1.92 -2.17 116.57 122.27 1kn0 h LYS 169 Ca -0.48 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 57.85 1kn0 h LYS 169 Cb 1.27 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.55 1kn0 h LYS 169 CO 0.94 1.09 0.50 -0.44 -0.57 0.00 0.00 179.45 180.97 1kn0 h ASP 170 N 0.67 1.01 0.09 0.86 3.32 -1.96 -1.73 116.42 118.69 1kn0 h ASP 170 Ca 0.06 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1kn0 h ASP 170 Cb 0.91 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1kn0 h ASP 170 CO 0.08 0.78 -0.05 0.22 -1.72 0.00 0.00 179.24 178.56 1kn0 h TYR 171 N 1.16 -0.12 -0.17 4.55 3.20 -1.84 -2.81 116.97 120.93 1kn0 h TYR 171 Ca 0.30 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.21 1kn0 h TYR 171 Cb -0.04 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 1kn0 h TYR 171 CO 0.01 -0.01 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.35 1kn0 h LEU 172 N -0.20 -0.30 -0.70 2.82 3.38 -0.90 -2.26 115.31 117.15 1kn0 h LEU 172 Ca -0.01 0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.15 1kn0 h LEU 172 Cb 0.16 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.99 1kn0 h LEU 172 CO 0.02 -0.12 0.27 0.03 0.09 0.00 0.00 178.44 178.73 1kn0 h ARG 173 N -0.08 0.43 -0.00 1.13 3.08 -1.29 0.34 114.38 117.98 1kn0 h ARG 173 Ca 0.10 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1kn0 h ARG 173 Cb 0.22 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1kn0 h ARG 173 CO -0.22 0.28 0.01 0.77 -1.07 0.00 0.00 179.97 179.74 1kn0 h SER 174 N 0.44 0.00 0.01 7.04 0.02 -1.15 -1.88 113.55 118.03 1kn0 h SER 174 Ca 0.37 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 61.10 1kn0 h SER 174 Cb 0.51 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.07 1kn0 h SER 174 CO -0.36 0.00 -0.84 -0.07 -1.14 0.00 0.00 176.83 174.42 1kn0 h LEU 175 N 0.00 0.72 -1.11 5.07 3.38 0.01 -3.22 115.31 120.17 1kn0 h LEU 175 Ca 0.00 -0.76 -0.05 0.00 0.09 0.00 0.00 57.88 57.16 1kn0 h LEU 175 Cb 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1kn0 h LEU 175 CO -0.00 1.39 0.07 0.78 0.09 0.00 0.00 178.44 180.77 1kn0 h ASN 176 N 0.13 0.66 0.00 -0.43 2.35 -1.05 -1.77 115.58 115.47 1kn0 h ASN 176 Ca -0.11 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1kn0 h ASN 176 Cb 1.53 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.73 1kn0 h ASN 176 CO 0.17 0.68 0.00 0.29 -1.65 0.00 0.00 177.43 176.92 1kn0 n LYS 177 N -4.28 0.64 -4.34 0.81 5.02 -0.99 -4.74 118.16 110.28 1kn0 n LYS 177 Ca 0.03 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.09 1kn0 n LYS 177 Cb 0.24 -1.31 -0.11 0.00 -0.02 0.00 0.00 35.03 33.82 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 -0.04 2.43 -0.30 -0.35 1.43 -0.67 -5.05 118.68 116.12 1kn0 s LEU 178 Ca 0.00 -0.85 -0.29 0.00 -1.03 0.00 0.00 54.13 51.96 1kn0 s LEU 178 Cb 0.00 -0.88 -0.07 0.00 0.03 0.00 0.00 46.19 45.27 1kn0 s LEU 178 CO 0.00 -0.01 2.26 -2.65 0.23 0.00 0.00 176.35 176.18 1kn0 n PRO 179 N 0.35 1.60 -1.79 1.29 -0.02 -1.26 -4.81 135.00 130.36 1kn0 n PRO 179 Ca -0.14 0.39 -0.20 0.00 -2.02 0.00 0.00 63.50 61.53 1kn0 n PRO 179 Cb 0.57 -3.09 -0.08 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 6.69 1.79 0.89 -0.52 3.00 -1.26 -4.89 118.95 124.66 1kn0 s ARG 180 Ca 1.03 -0.49 -0.11 0.00 -1.00 0.00 0.00 55.73 55.16 1kn0 s ARG 180 Cb -0.43 -5.04 0.13 0.00 0.00 0.00 0.00 34.95 29.62 1kn0 s ARG 180 CO 0.37 -4.65 1.16 1.14 0.00 0.00 0.00 175.30 173.32 1kn0 s GLN 181 N 7.77 1.12 0.17 5.12 -2.07 -1.26 -5.02 119.66 125.48 1kn0 s GLN 181 Ca 0.78 1.61 -0.04 0.00 -1.82 0.00 0.00 55.36 55.89 1kn0 s GLN 181 Cb -0.05 -1.73 -0.05 0.00 -1.09 0.00 0.00 33.01 30.08 1kn0 s GLN 181 CO 0.13 -2.57 0.40 -1.17 -1.32 0.00 0.00 175.29 170.75 1kn0 s LEU 182 N -6.44 4.24 0.14 2.60 2.96 -1.26 -5.03 118.68 115.90 1kn0 s LEU 182 Ca 0.68 0.55 -0.26 0.00 -0.22 0.00 0.00 54.13 54.89 1kn0 s LEU 182 Cb -0.24 -3.30 -0.15 0.00 0.50 0.00 0.00 46.19 43.00 1kn0 s LEU 182 CO 0.56 0.01 0.53 -2.65 -1.32 0.00 0.00 176.35 173.48 1kn0 n PRO 183 N -0.19 0.00 -2.67 0.98 -0.02 -1.26 -4.90 135.00 126.94 1kn0 n PRO 183 Ca -0.03 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.05 1kn0 n PRO 183 Cb 0.52 -0.94 -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 2.10 4.59 -0.08 2.45 2.01 -1.26 -5.01 118.68 123.48 1kn0 s LEU 184 Ca 0.59 2.00 -0.28 0.00 0.01 0.00 0.00 54.13 56.45 1kn0 s LEU 184 Cb -0.85 -3.61 -0.02 0.00 0.01 0.00 0.00 46.19 41.72 1kn0 s LEU 184 CO 0.48 0.03 0.91 -0.70 1.01 0.00 0.00 176.35 178.07 1kn0 s GLU 185 N -0.94 4.45 -0.42 1.70 2.12 -1.26 -5.01 118.70 119.33 1kn0 s GLU 185 Ca 0.44 1.23 -0.21 0.00 0.36 0.00 0.00 54.97 56.79 1kn0 s GLU 185 Cb -0.27 -3.50 0.02 0.00 0.26 0.00 0.00 34.13 30.63 1kn0 s GLU 185 CO 0.34 -0.16 0.64 0.08 -0.54 0.00 0.00 175.26 175.61 1kn0 s VAL 186 N 1.49 4.85 -0.67 3.70 1.01 -1.26 -5.01 120.40 124.50 1kn0 s VAL 186 Ca 0.46 0.22 -0.27 0.00 0.00 0.00 0.00 61.98 62.38 1kn0 s VAL 186 Cb -0.19 -4.17 0.03 0.00 0.00 0.00 0.00 36.38 32.05 1kn0 s VAL 186 CO 0.20 -0.53 1.30 -0.62 0.00 0.00 0.00 175.10 175.46 1kn0 s ASP 187 N 1.95 6.19 -0.30 3.32 2.15 -1.26 -4.89 116.67 123.83 1kn0 s ASP 187 Ca 0.23 -0.18 0.02 0.00 0.43 0.00 0.00 52.55 53.05 1kn0 s ASP 187 Cb -0.14 -2.56 0.40 0.00 -0.30 0.00 0.00 42.92 40.32 1kn0 s ASP 187 CO 0.18 -1.76 1.63 0.18 -0.17 0.00 0.00 175.17 175.23 1kn0 n LEU 188 N 9.32 5.53 0.12 -1.34 4.77 -1.26 -4.41 117.00 129.73 1kn0 n LEU 188 Ca 0.06 -2.91 -0.23 0.00 -0.03 0.00 0.00 56.01 52.90 1kn0 n LEU 188 Cb 0.49 -0.75 -0.14 0.00 -2.33 0.00 0.00 43.42 40.68 1kn0 n LEU 188 CO 0.71 0.90 -0.14 0.71 -1.33 0.00 0.00 177.39 178.25 1kn0 h THR 189 N 0.67 1.29 -0.78 -5.08 1.35 -2.04 -3.24 112.91 105.09 1kn0 h THR 189 Ca 0.40 -2.57 -0.31 0.00 -0.55 0.00 0.00 66.41 63.38 1kn0 h THR 189 Cb 2.00 2.89 -0.19 0.00 -1.73 0.00 0.00 68.15 71.12 1kn0 h THR 189 CO 0.73 0.77 0.40 0.29 -0.25 0.00 0.00 175.52 177.46 1kn0 n LYS 190 N -3.79 2.98 -2.24 4.72 5.02 -1.26 -4.97 118.16 118.62 1kn0 n LYS 190 Ca -0.15 -2.80 -0.36 0.00 -2.02 0.00 0.00 58.31 52.98 1kn0 n LYS 190 Cb 1.03 -2.12 -0.00 0.00 -0.02 0.00 0.00 35.03 33.92 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 -2.88 2.79 0.11 7.82 0.00 -1.22 -4.94 121.76 123.44 1kn0 s ALA 191 Ca 0.51 0.88 -0.31 0.00 0.00 0.00 0.00 51.96 53.05 1kn0 s ALA 191 Cb 0.42 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 20.08 1kn0 s ALA 191 CO 0.12 -0.76 1.48 0.21 0.00 0.00 0.00 175.76 176.81 1kn0 s LYS 192 N -3.06 4.27 0.00 0.00 2.20 -1.26 -4.90 119.74 116.98 1kn0 s LYS 192 Ca 0.70 2.18 0.03 0.00 -0.36 0.00 0.00 55.97 58.52 1kn0 s LYS 192 Cb -0.26 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 1kn0 s LYS 192 CO 0.30 -0.54 0.18 0.54 -0.36 0.00 0.00 175.35 175.47 1kn0 n ARG 193 N 4.34 5.32 -3.87 4.03 1.74 -1.26 -5.06 116.66 121.89 1kn0 n ARG 193 Ca 0.13 -0.07 -0.09 0.00 -0.77 0.00 0.00 57.85 57.05 1kn0 n ARG 193 Cb 0.41 -0.69 -0.07 0.00 -1.02 0.00 0.00 32.46 31.09 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 -1.20 1.00 0.04 5.56 1.03 -1.26 -5.11 119.66 119.72 1kn0 s GLN 194 Ca 0.01 -1.01 -0.34 0.00 0.04 0.00 0.00 55.36 54.07 1kn0 s GLN 194 Cb 0.02 0.37 -0.19 0.00 0.03 0.00 0.00 33.01 33.25 1kn0 s GLN 194 CO 0.12 -0.35 1.41 -0.44 -2.54 0.00 0.00 175.29 173.50 1kn0 h ASP 195 N 2.62 -1.00 -2.25 12.60 3.32 -2.05 -3.46 116.42 126.21 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 0.26 0.18 0.00 0.22 0.00 0.00 39.33 41.20 1kn0 h ASP 195 CO 0.52 -0.66 -0.95 -0.11 -1.72 0.00 0.00 179.24 176.32 1kn0 n LEU 196 N -5.56 -2.50 -3.33 1.55 7.94 -1.26 -4.98 117.00 108.86 1kn0 n LEU 196 Ca -0.15 0.68 -0.24 0.00 -1.11 0.00 0.00 56.01 55.19 1kn0 n LEU 196 Cb 0.47 -0.93 -0.09 0.00 0.53 0.00 0.00 43.42 43.39 1kn0 n LEU 196 CO 0.37 -4.33 -0.26 -1.61 -1.11 0.00 0.00 177.39 170.44 1kn0 s GLU 197 N -1.29 0.86 0.23 1.96 0.41 -1.26 -5.03 118.70 114.57 1kn0 s GLU 197 Ca 0.60 -1.81 -0.10 0.00 -0.41 0.00 0.00 54.97 53.26 1kn0 s GLU 197 Cb -0.48 -1.20 0.35 0.00 -1.78 0.00 0.00 34.13 31.02 1kn0 s GLU 197 CO 0.63 -1.35 1.63 -1.35 -0.49 0.00 0.00 175.26 174.33 1kn0 h PRO 198 N 5.84 0.06 -0.48 0.39 0.11 -1.98 0.82 132.00 136.76 1kn0 h PRO 198 Ca 0.20 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.38 1kn0 h PRO 198 Cb 0.95 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.99 1kn0 h PRO 198 CO 0.30 0.04 0.14 1.03 -0.21 0.00 0.00 178.00 179.30 1kn0 h SER 199 N 0.06 0.11 0.13 -2.05 0.87 -2.00 0.10 113.55 110.77 1kn0 h SER 199 Ca 0.37 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.99 1kn0 h SER 199 Cb 0.61 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1kn0 h SER 199 CO -0.66 0.09 -0.06 0.58 -0.53 0.00 0.00 176.83 176.24 1kn0 h VAL 200 N 0.30 1.04 -1.02 2.23 2.07 -1.71 -2.67 116.25 116.48 1kn0 h VAL 200 Ca 0.23 -0.98 0.27 0.00 0.82 0.00 0.00 66.70 67.04 1kn0 h VAL 200 Cb 0.27 1.63 -0.12 0.00 -1.52 0.00 0.00 31.29 31.54 1kn0 h VAL 200 CO -0.26 0.22 0.61 -0.08 0.02 0.00 0.00 177.57 178.08 1kn0 h GLU 201 N -0.66 0.48 0.72 1.57 4.57 -0.65 0.60 114.58 121.22 1kn0 h GLU 201 Ca -0.02 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 1kn0 h GLU 201 Cb 0.50 -0.11 0.01 0.00 -0.16 0.00 0.00 28.75 28.99 1kn0 h GLU 201 CO 0.03 0.32 -0.35 1.49 -1.18 0.00 0.00 179.01 179.32 1kn0 h GLU 202 N 0.50 -0.93 -0.84 1.92 4.81 -0.91 -1.78 114.58 117.34 1kn0 h GLU 202 Ca 0.65 0.06 0.18 0.00 -0.13 0.00 0.00 59.36 60.13 1kn0 h GLU 202 Cb 1.38 0.21 -0.06 0.00 0.63 0.00 0.00 28.75 30.91 1kn0 h GLU 202 CO -0.46 -0.62 0.56 0.00 -0.73 0.00 0.00 179.01 177.76 1kn0 h ALA 203 N -1.29 2.16 0.01 2.92 0.00 -0.91 -1.44 119.26 120.71 1kn0 h ALA 203 Ca -0.10 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1kn0 h ALA 203 Cb 0.74 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1kn0 h ALA 203 CO 0.16 -0.41 -0.01 -0.09 0.00 0.00 0.00 179.25 178.91 1kn0 h ARG 204 N 0.42 -0.02 -0.86 0.00 2.43 -0.88 -2.82 114.38 112.65 1kn0 h ARG 204 Ca 0.43 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.70 1kn0 h ARG 204 Cb 1.03 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.51 1kn0 h ARG 204 CO -0.15 0.38 0.50 -0.92 -1.51 0.00 0.00 179.97 178.27 1kn0 h TYR 205 N -0.42 0.91 0.00 2.20 3.20 -0.37 0.35 116.97 122.85 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 0.40 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.39 1kn0 h TYR 205 CO 0.06 0.37 0.00 0.09 -1.64 0.00 0.00 178.16 177.04 1kn0 n ASN 206 N -4.72 0.00 -0.37 -2.11 3.02 -0.78 -2.29 115.26 108.00 1kn0 n ASN 206 Ca 0.15 -0.36 0.13 0.00 -0.03 0.00 0.00 54.58 54.46 1kn0 n ASN 206 Cb 0.30 -0.14 0.34 0.00 -0.61 0.00 0.00 39.78 39.68 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 -1.14 1.37 -0.82 6.41 2.88 0.12 -5.08 113.62 117.36 1kn0 n SER 207 Ca 0.13 -1.17 0.10 0.00 -1.33 0.00 0.00 58.87 56.61 1kn0 n SER 207 Cb 0.12 0.14 0.09 0.00 -0.75 0.00 0.00 64.21 63.81 1kn0 n SER 207 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81