#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 3.40 0.00 0.00 5.36 -1.26 -0.78 117.98 124.70 1kn0 s PHE 26 Ca 0.00 1.44 0.00 0.00 -0.96 0.00 0.00 56.93 57.41 1kn0 s PHE 26 Cb 0.00 -3.29 0.00 0.00 -0.34 0.00 0.00 43.02 39.39 1kn0 s PHE 26 CO 0.00 -0.70 0.00 0.41 -1.46 0.00 0.00 175.22 173.47 1kn0 n GLY 27 N 3.18 2.36 0.14 13.12 0.00 0.14 -4.82 105.19 119.31 1kn0 n GLY 27 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.00 0.53 -1.42 1.61 1.13 -1.04 -4.27 117.38 111.92 1kn0 n GLN 28 Ca 0.00 0.22 -0.49 0.00 -1.94 0.00 0.00 57.00 54.79 1kn0 n GLN 28 Cb 0.00 -1.41 -0.03 0.00 0.11 0.00 0.00 30.24 28.90 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 -0.92 2.56 0.32 0.00 -0.21 -1.26 -3.25 119.66 116.89 1kn0 s GLN 30 Ca 0.67 -0.74 -0.29 0.00 0.02 0.00 0.00 55.36 55.01 1kn0 s GLN 30 Cb -0.95 -2.34 -0.10 0.00 1.00 0.00 0.00 33.01 30.61 1kn0 s GLN 30 CO 0.56 0.55 1.34 0.71 -2.12 0.00 0.00 175.29 176.33 1kn0 s TYR 31 N -0.54 3.01 0.39 0.91 1.51 -1.26 -5.01 117.35 116.35 1kn0 s TYR 31 Ca 0.07 1.33 -0.15 0.00 -1.01 0.00 0.00 57.07 57.31 1kn0 s TYR 31 Cb -0.11 -3.73 -0.09 0.00 -0.11 0.00 0.00 41.96 37.92 1kn0 s TYR 31 CO 0.01 -2.06 0.82 0.95 -1.11 0.00 0.00 175.55 174.16 1kn0 s THR 32 N -0.94 4.62 0.30 -0.71 -4.23 -1.26 -4.82 115.64 108.61 1kn0 s THR 32 Ca 0.51 1.03 0.05 0.00 -1.18 0.00 0.00 61.69 62.09 1kn0 s THR 32 Cb -0.40 -3.65 0.31 0.00 1.34 0.00 0.00 72.50 70.10 1kn0 s THR 32 CO 0.52 -0.35 1.66 0.00 -0.54 0.00 0.00 174.62 175.91 1kn0 h ALA 33 N 1.80 1.45 0.08 3.99 0.00 -1.98 0.13 119.26 124.72 1kn0 h ALA 33 Ca -0.48 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1kn0 h ALA 33 Cb 1.18 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1kn0 h ALA 33 CO 0.64 -0.46 -0.07 0.93 0.00 0.00 0.00 179.25 180.30 1kn0 h GLU 34 N 0.28 -0.15 -0.06 0.00 3.07 -1.99 -0.95 114.58 114.78 1kn0 h GLU 34 Ca 0.59 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.45 1kn0 h GLU 34 Cb 1.21 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1kn0 h GLU 34 CO -0.61 -0.10 -0.01 1.49 -1.40 0.00 0.00 179.01 178.37 1kn0 h GLU 35 N -0.15 0.12 -0.54 2.33 4.81 -1.68 -1.85 114.58 117.61 1kn0 h GLU 35 Ca -0.00 -0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.29 1kn0 h GLU 35 Cb 0.14 -0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.41 1kn0 h GLU 35 CO -0.01 0.45 -0.13 -0.92 -0.73 0.00 0.00 179.01 177.66 1kn0 h TYR 36 N -0.22 -0.28 -0.45 0.92 3.20 -0.72 -0.01 116.97 119.39 1kn0 h TYR 36 Ca 0.02 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 1kn0 h TYR 36 Cb 0.40 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 1kn0 h TYR 36 CO 0.05 -0.23 0.09 0.37 -1.64 0.00 0.00 178.16 176.80 1kn0 h GLN 37 N 0.00 0.74 0.15 1.82 4.15 -1.13 -0.45 115.11 120.40 1kn0 h GLN 37 Ca 0.26 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 1kn0 h GLN 37 Cb 0.40 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1kn0 h GLN 37 CO -0.56 0.75 -0.07 0.00 -1.93 0.00 0.00 178.83 177.02 1kn0 h ALA 38 N 0.96 -0.20 -0.70 3.38 0.00 -0.45 -2.22 119.26 120.04 1kn0 h ALA 38 Ca 0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1kn0 h ALA 38 Cb 0.36 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1kn0 h ALA 38 CO 0.01 -0.57 0.33 0.82 0.00 0.00 0.00 179.25 179.84 1kn0 h ILE 39 N -0.30 1.23 -0.33 0.00 2.04 -1.04 -0.73 117.51 118.38 1kn0 h ILE 39 Ca -0.02 -0.66 0.06 0.00 1.00 0.00 0.00 64.86 65.24 1kn0 h ILE 39 Cb 0.24 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 1kn0 h ILE 39 CO 0.03 0.27 -0.04 -0.61 0.00 0.00 0.00 178.15 177.81 1kn0 h GLN 40 N 0.97 0.04 0.41 2.37 5.75 -0.94 0.01 115.11 123.74 1kn0 h GLN 40 Ca 0.24 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.72 1kn0 h GLN 40 Cb 0.13 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.67 1kn0 h GLN 40 CO -0.03 0.03 -0.20 0.87 -2.65 0.00 0.00 178.83 176.85 1kn0 h LYS 41 N 0.04 -0.53 -0.96 1.69 1.57 -1.19 -3.22 116.57 113.97 1kn0 h LYS 41 Ca 0.16 0.04 0.25 0.00 -1.87 0.00 0.00 60.65 59.22 1kn0 h LYS 41 Cb 0.23 0.12 -0.13 0.00 0.08 0.00 0.00 32.23 32.53 1kn0 h LYS 41 CO -0.30 -0.23 0.50 0.00 -0.57 0.00 0.00 179.45 178.84 1kn0 h ALA 42 N -0.42 1.66 0.00 3.86 0.00 -0.91 0.58 119.26 124.04 1kn0 h ALA 42 Ca -0.06 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1kn0 h ALA 42 Cb 0.55 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1kn0 h ALA 42 CO 0.09 -0.36 0.00 -0.07 0.00 0.00 0.00 179.25 178.91 1kn0 h LEU 43 N 0.45 0.00 -0.53 0.00 3.38 -1.00 -2.56 115.31 115.06 1kn0 h LEU 43 Ca 0.62 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.44 1kn0 h LEU 43 Cb 1.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1kn0 h LEU 43 CO -0.53 0.00 -0.73 0.03 0.09 0.00 0.00 178.44 177.30 1kn0 h ARG 44 N 0.00 0.07 -6.48 1.13 3.08 -0.95 0.92 114.38 112.15 1kn0 h ARG 44 Ca 0.00 -0.06 -0.59 0.00 0.07 0.00 0.00 59.98 59.40 1kn0 h ARG 44 Cb 0.20 0.01 0.15 0.00 0.08 0.00 0.00 29.97 30.42 1kn0 h ARG 44 CO 0.00 0.77 -0.23 1.04 -1.07 0.00 0.00 179.97 180.48 1kn0 n GLN 45 N -3.71 0.77 -3.73 0.04 6.02 -0.96 -4.55 117.38 111.25 1kn0 n GLN 45 Ca -0.02 0.28 -0.32 0.00 -0.01 0.00 0.00 57.00 56.93 1kn0 n GLN 45 Cb 0.71 -1.73 -0.05 0.00 1.02 0.00 0.00 30.24 30.19 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 -1.88 3.58 0.31 -1.09 0.52 -1.26 -1.59 118.95 117.53 1kn0 s ARG 46 Ca 0.65 -0.14 -0.28 0.00 -0.52 0.00 0.00 55.73 55.45 1kn0 s ARG 46 Cb -0.54 -2.95 -0.09 0.00 0.52 0.00 0.00 34.95 31.89 1kn0 s ARG 46 CO 0.56 0.54 1.06 -0.51 0.02 0.00 0.00 175.30 176.97 1kn0 s LEU 47 N -2.37 4.45 0.94 2.53 2.01 -1.26 -4.96 118.68 120.01 1kn0 s LEU 47 Ca 0.36 2.14 -0.14 0.00 0.01 0.00 0.00 54.13 56.51 1kn0 s LEU 47 Cb -0.13 -3.79 0.16 0.00 0.01 0.00 0.00 46.19 42.45 1kn0 s LEU 47 CO 0.23 -0.18 1.19 -0.83 1.01 0.00 0.00 176.35 177.77 1kn0 s GLY 48 N -1.13 1.63 0.00 -3.19 0.00 -1.26 -4.91 107.32 98.46 1kn0 s GLY 48 Ca 0.48 -0.78 0.10 0.00 0.00 0.00 0.00 44.72 44.51 1kn0 s GLY 48 CO 0.35 -0.14 1.22 -1.05 0.00 0.00 0.00 173.10 173.48 1kn0 n PRO 49 N -3.80 0.10 0.03 2.90 -0.02 -1.26 -2.02 135.00 130.93 1kn0 n PRO 49 Ca 0.10 0.24 0.12 0.00 -2.02 0.00 0.00 63.50 61.93 1kn0 n PRO 49 Cb 0.60 -1.50 0.49 0.00 -0.02 0.00 0.00 33.50 33.06 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 -1.35 0.06 -0.09 -0.52 4.71 -1.26 -3.38 120.64 118.81 1kn0 n GLU 50 Ca 0.04 0.15 -0.09 0.00 -0.01 0.00 0.00 57.16 57.25 1kn0 n GLU 50 Cb 0.09 -1.59 -0.13 0.00 -1.01 0.00 0.00 31.44 28.80 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 -1.70 0.00 -2.28 -0.32 4.02 -0.86 -5.01 117.16 111.01 1kn0 n TYR 51 Ca 0.05 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.61 1kn0 n TYR 51 Cb 0.30 -0.85 -0.01 0.00 -0.02 0.00 0.00 39.34 38.75 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 -2.42 3.92 0.27 -0.72 -1.09 -1.22 -4.31 121.20 115.64 1kn0 s ILE 52 Ca -0.10 1.01 0.04 0.00 -2.23 0.00 0.00 60.65 59.37 1kn0 s ILE 52 Cb 0.05 -3.46 -0.01 0.00 -1.58 0.00 0.00 42.46 37.46 1kn0 s ILE 52 CO 0.70 -0.44 0.28 -1.20 -1.23 0.00 0.00 174.94 173.04 1kn0 n SER 53 N -1.57 -0.73 -3.55 3.58 7.64 -0.01 -4.97 113.62 114.01 1kn0 n SER 53 Ca 0.09 -2.68 -0.16 0.00 1.01 0.00 0.00 58.87 57.13 1kn0 n SER 53 Cb 0.53 1.55 -0.06 0.00 -1.01 0.00 0.00 64.21 65.22 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 -2.82 -0.55 0.16 6.43 1.04 -1.26 -2.24 113.70 114.47 1kn0 s SER 54 Ca 0.29 0.44 0.02 0.00 0.48 0.00 0.00 55.95 57.18 1kn0 s SER 54 Cb 0.01 0.51 -0.05 0.00 0.10 0.00 0.00 66.02 66.59 1kn0 s SER 54 CO 0.21 -0.66 -0.02 -0.13 0.98 0.00 0.00 173.24 173.61 1kn0 s ARG 55 N -1.81 1.08 -0.48 4.02 0.52 -0.54 -4.97 118.95 116.78 1kn0 s ARG 55 Ca -0.08 -1.50 -0.15 0.00 -0.52 0.00 0.00 55.73 53.47 1kn0 s ARG 55 Cb -0.01 -0.34 0.08 0.00 0.52 0.00 0.00 34.95 35.21 1kn0 s ARG 55 CO 0.04 -0.08 0.41 1.41 0.02 0.00 0.00 175.30 177.10 1kn0 s MET 56 N -3.87 2.96 0.19 3.54 1.75 -1.26 -1.24 119.30 121.36 1kn0 s MET 56 Ca 0.21 -1.42 -0.33 0.00 -1.25 0.00 0.00 55.69 52.91 1kn0 s MET 56 Cb 0.05 -4.15 -0.15 0.00 2.84 0.00 0.00 34.83 33.43 1kn0 s MET 56 CO 0.02 -1.08 1.34 0.00 -0.65 0.00 0.00 175.02 174.65 1kn0 n ALA 57 N 5.20 0.24 -1.54 4.11 0.00 -0.19 -4.73 120.51 123.60 1kn0 n ALA 57 Ca -0.13 0.45 -0.27 0.00 0.00 0.00 0.00 53.44 53.49 1kn0 n ALA 57 Cb 0.43 -2.17 -0.08 0.00 0.00 0.00 0.00 19.45 17.63 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 2.31 -0.09 1.72 0.00 0.00 -1.26 -1.08 105.19 106.80 1kn0 n GLY 58 Ca 0.14 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 6.30 2.47 0.23 -0.02 0.00 -1.26 -4.99 105.19 107.91 1kn0 n GLY 59 Ca 0.47 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.91 0.00 -0.02 0.00 -0.24 -5.09 105.19 97.94 1kn0 n GLY 60 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.49 3.00 -3.01 1.61 3.00 -1.26 -4.24 117.38 114.99 1kn0 n GLN 61 Ca 0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.59 1kn0 n GLN 61 Cb 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.22 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 0.97 4.15 -0.23 -1.09 2.20 -1.26 -1.03 119.74 123.45 1kn0 s LYS 62 Ca 0.00 0.73 -0.10 0.00 -0.36 0.00 0.00 55.97 56.25 1kn0 s LYS 62 Cb 0.00 -3.64 -0.05 0.00 -1.51 0.00 0.00 37.83 32.63 1kn0 s LYS 62 CO 0.00 -0.45 0.14 0.08 -0.36 0.00 0.00 175.35 174.76 1kn0 s VAL 63 N 2.61 5.16 0.10 4.02 1.01 -0.38 -4.94 120.40 127.97 1kn0 s VAL 63 Ca 0.30 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.31 1kn0 s VAL 63 Cb -0.15 -3.39 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 1kn0 s VAL 63 CO 0.08 0.36 0.39 0.00 0.00 0.00 0.00 175.10 175.93 1kn0 s TYR 65 N -1.48 -0.24 -0.16 0.00 -0.85 -0.95 -4.96 117.35 108.71 1kn0 s TYR 65 Ca 0.35 -0.16 -0.02 0.00 -0.52 0.00 0.00 57.07 56.72 1kn0 s TYR 65 Cb -0.13 0.68 -0.02 0.00 0.38 0.00 0.00 41.96 42.87 1kn0 s TYR 65 CO 0.20 -1.13 -0.07 0.42 -1.52 0.00 0.00 175.55 173.44 1kn0 s ILE 66 N -3.83 3.49 0.52 -3.49 1.01 -1.26 -0.83 121.20 116.81 1kn0 s ILE 66 Ca 0.09 -0.50 -0.22 0.00 0.00 0.00 0.00 60.65 60.03 1kn0 s ILE 66 Cb -0.05 -2.52 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 1kn0 s ILE 66 CO 0.03 0.49 1.32 -1.61 0.00 0.00 0.00 174.94 175.18 1kn0 s GLU 67 N 0.53 3.29 0.13 2.79 2.02 -1.26 -4.85 118.70 121.35 1kn0 s GLU 67 Ca -0.05 2.15 -0.28 0.00 0.02 0.00 0.00 54.97 56.80 1kn0 s GLU 67 Cb -0.15 -2.30 -0.05 0.00 0.10 0.00 0.00 34.13 31.73 1kn0 s GLU 67 CO 0.03 -1.04 1.59 0.78 0.02 0.00 0.00 175.26 176.64 1kn0 h GLY 68 N 1.61 -0.64 0.79 -1.39 0.00 -1.98 -1.84 103.07 99.62 1kn0 h GLY 68 Ca -0.51 0.48 0.17 0.00 0.00 0.00 0.00 47.33 47.48 1kn0 h GLY 68 CO 0.58 -0.23 0.44 1.12 0.00 0.00 0.00 176.54 178.45 1kn0 h HIS 69 N -0.47 0.00 0.71 5.60 2.07 -1.99 -0.56 115.15 120.50 1kn0 h HIS 69 Ca 0.08 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.56 1kn0 h HIS 69 Cb 0.61 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.60 1kn0 h HIS 69 CO -0.46 0.00 -0.34 0.00 -3.07 0.00 0.00 177.93 174.06 1kn0 h ARG 70 N 0.00 -0.92 -0.55 5.12 2.47 -1.71 -1.77 114.38 117.01 1kn0 h ARG 70 Ca 0.28 0.06 0.14 0.00 -1.26 0.00 0.00 59.98 59.21 1kn0 h ARG 70 Cb 1.16 0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 29.66 1kn0 h ARG 70 CO -0.00 -0.59 0.39 0.28 0.56 0.00 0.00 179.97 180.61 1kn0 h VAL 71 N -1.14 0.77 0.08 2.04 2.07 -0.89 0.25 116.25 119.42 1kn0 h VAL 71 Ca -0.10 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1kn0 h VAL 71 Cb 0.76 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1kn0 h VAL 71 CO 0.16 0.02 -0.04 0.40 0.02 0.00 0.00 177.57 178.13 1kn0 h ILE 72 N 0.10 1.17 -0.46 4.57 2.04 -1.02 -2.33 117.51 121.58 1kn0 h ILE 72 Ca 0.26 -0.96 -0.06 0.00 1.00 0.00 0.00 64.86 65.11 1kn0 h ILE 72 Cb 0.91 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 1kn0 h ILE 72 CO -0.03 0.23 0.04 0.78 0.00 0.00 0.00 178.15 179.18 1kn0 h ASN 73 N -0.54 0.69 -0.56 1.72 2.35 -0.36 -0.46 115.58 118.41 1kn0 h ASN 73 Ca -0.01 -0.14 0.07 0.00 -0.55 0.00 0.00 56.30 55.66 1kn0 h ASN 73 Cb 0.46 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.59 1kn0 h ASN 73 CO 0.02 0.73 0.25 -0.07 -1.65 0.00 0.00 177.43 176.71 1kn0 h LEU 74 N 0.69 0.32 -0.32 1.61 3.38 -0.51 -1.76 115.31 118.72 1kn0 h LEU 74 Ca 0.14 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 1kn0 h LEU 74 Cb 0.36 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1kn0 h LEU 74 CO 0.01 0.21 -0.12 0.00 0.09 0.00 0.00 178.44 178.63 1kn0 h ALA 75 N 1.34 0.45 -0.18 1.53 0.00 -0.82 -1.17 119.26 120.41 1kn0 h ALA 75 Ca 0.26 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1kn0 h ALA 75 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1kn0 h ALA 75 CO -0.22 0.32 0.13 -0.91 0.00 0.00 0.00 179.25 178.57 1kn0 h ASN 76 N 0.42 0.07 0.03 0.00 2.35 -0.74 0.17 115.58 117.88 1kn0 h ASN 76 Ca 0.08 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 1kn0 h ASN 76 Cb 0.64 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1kn0 h ASN 76 CO 0.04 0.05 -0.19 -0.33 -1.65 0.00 0.00 177.43 175.35 1kn0 h GLU 77 N 0.08 0.06 -0.75 0.81 4.39 -1.14 0.42 114.58 118.45 1kn0 h GLU 77 Ca 0.08 -0.09 0.04 0.00 0.34 0.00 0.00 59.36 59.72 1kn0 h GLU 77 Cb 0.22 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.86 1kn0 h GLU 77 CO -0.01 1.05 0.50 0.52 -1.16 0.00 0.00 179.01 179.90 1kn0 h MET 78 N -0.88 0.89 0.00 2.33 2.86 -0.85 -3.31 114.93 115.96 1kn0 h MET 78 Ca -0.04 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1kn0 h MET 78 Cb 1.13 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.59 1kn0 h MET 78 CO 0.02 0.59 -0.19 1.19 1.06 0.00 0.00 176.91 179.58 1kn0 n PHE 79 N -4.45 0.00 0.00 -0.22 3.01 0.02 -4.91 117.46 110.90 1kn0 n PHE 79 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1kn0 n PHE 79 Cb 0.13 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 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 1.26 -0.05 0.45 1.37 0.00 0.15 -3.26 105.19 105.11 1kn0 n GLY 80 Ca 0.00 -1.51 0.27 0.00 0.00 0.00 0.00 46.02 44.79 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 0.40 -0.42 1.61 -0.00 -1.88 0.88 116.97 117.55 1kn0 h TYR 81 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 58.73 58.67 1kn0 h TYR 81 Cb 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 36.73 36.57 1kn0 h TYR 81 CO 0.00 0.03 0.05 0.27 -0.00 0.00 0.00 178.16 178.51 1kn0 n ASN 82 N -4.46 4.10 -0.04 0.10 6.94 -1.26 -4.50 115.26 116.14 1kn0 n ASN 82 Ca 0.25 -3.18 0.08 0.00 -0.02 0.00 0.00 54.58 51.71 1kn0 n ASN 82 Cb 1.01 -0.62 -0.08 0.00 -2.36 0.00 0.00 39.78 37.72 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 -0.40 -0.50 3.08 4.83 0.00 0.30 -4.76 105.19 107.74 1kn0 n GLY 83 Ca 0.29 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.49 0.47 0.14 1.61 1.48 -1.25 -0.11 118.94 118.78 1kn0 s TRP 84 Ca 0.07 -0.98 -0.15 0.00 -1.06 0.00 0.00 56.10 53.98 1kn0 s TRP 84 Cb 0.13 -0.35 0.03 0.00 -1.16 0.00 0.00 33.47 32.11 1kn0 s TRP 84 CO 0.65 -0.36 0.40 0.00 -4.06 0.00 0.00 176.95 173.58 1kn0 s ALA 85 N -3.57 -0.80 0.01 2.67 0.00 0.17 -4.94 121.76 115.29 1kn0 s ALA 85 Ca 0.04 -0.20 -0.10 0.00 0.00 0.00 0.00 51.96 51.70 1kn0 s ALA 85 Cb 0.05 0.73 0.01 0.00 0.00 0.00 0.00 23.12 23.91 1kn0 s ALA 85 CO -0.09 -0.67 0.20 -3.38 0.00 0.00 0.00 175.76 171.82 1kn0 s HIS 86 N -3.84 -0.01 0.04 0.00 -3.43 -1.26 0.71 115.29 107.49 1kn0 s HIS 86 Ca 0.06 -0.06 -0.03 0.00 -0.80 0.00 0.00 55.06 54.23 1kn0 s HIS 86 Cb 0.02 -0.01 -0.02 0.00 -1.43 0.00 0.00 32.58 31.14 1kn0 s HIS 86 CO -0.09 -0.35 0.03 -1.54 -2.00 0.00 0.00 174.74 170.79 1kn0 s SER 87 N -1.54 0.27 -0.55 7.38 1.04 0.04 -4.98 113.70 115.35 1kn0 s SER 87 Ca -0.12 -0.64 -0.20 0.00 0.48 0.00 0.00 55.95 55.47 1kn0 s SER 87 Cb -0.05 0.18 0.08 0.00 0.10 0.00 0.00 66.02 66.33 1kn0 s SER 87 CO 0.01 -0.47 0.70 -0.63 0.98 0.00 0.00 173.24 173.83 1kn0 s ILE 88 N -2.62 4.79 0.22 -1.02 1.01 -1.26 -1.21 121.20 121.11 1kn0 s ILE 88 Ca -0.05 -0.64 -0.08 0.00 0.00 0.00 0.00 60.65 59.88 1kn0 s ILE 88 Cb -0.01 -4.42 0.19 0.00 0.01 0.00 0.00 42.46 38.23 1kn0 s ILE 88 CO -0.05 -1.00 1.83 0.74 0.00 0.00 0.00 174.94 176.46 1kn0 h THR 89 N 5.90 1.26 -1.47 2.92 2.02 -0.97 -3.46 112.91 119.11 1kn0 h THR 89 Ca -0.28 -0.69 0.10 0.00 0.77 0.00 0.00 66.41 66.31 1kn0 h THR 89 Cb 1.09 0.14 -0.26 0.00 -1.74 0.00 0.00 68.15 67.38 1kn0 h THR 89 CO 1.04 0.30 0.58 -1.58 0.37 0.00 0.00 175.52 176.24 1kn0 s GLN 90 N -5.76 0.44 -0.10 6.66 0.74 -1.19 -4.99 119.66 115.47 1kn0 s GLN 90 Ca -0.13 0.32 -0.00 0.00 0.05 0.00 0.00 55.36 55.60 1kn0 s GLN 90 Cb 0.16 0.21 0.02 0.00 1.10 0.00 0.00 33.01 34.51 1kn0 s GLN 90 CO 0.83 -0.09 -0.06 -1.14 -0.55 0.00 0.00 175.29 174.27 1kn0 s GLN 91 N -0.37 1.28 -0.09 1.67 0.74 -1.26 0.09 119.66 121.71 1kn0 s GLN 91 Ca 0.02 -0.17 0.04 0.00 0.05 0.00 0.00 55.36 55.30 1kn0 s GLN 91 Cb -0.03 -1.38 -0.01 0.00 1.10 0.00 0.00 33.01 32.69 1kn0 s GLN 91 CO -0.05 -0.24 -0.20 1.21 -0.55 0.00 0.00 175.29 175.45 1kn0 s ASN 92 N 1.65 3.43 -0.50 6.67 2.47 -0.37 -4.99 114.94 123.29 1kn0 s ASN 92 Ca 0.03 -0.44 -0.25 0.00 0.42 0.00 0.00 52.86 52.61 1kn0 s ASN 92 Cb -0.13 -1.22 0.03 0.00 -1.45 0.00 0.00 41.25 38.48 1kn0 s ASN 92 CO -0.06 0.21 0.95 -0.69 -3.72 0.00 0.00 177.10 173.79 1kn0 s VAL 93 N 0.06 4.41 0.17 -5.21 1.01 -1.26 -1.30 120.40 118.28 1kn0 s VAL 93 Ca -0.09 0.59 -0.11 0.00 0.00 0.00 0.00 61.98 62.37 1kn0 s VAL 93 Cb -0.15 -4.49 0.06 0.00 0.00 0.00 0.00 36.38 31.79 1kn0 s VAL 93 CO 0.06 -0.97 1.66 0.44 0.00 0.00 0.00 175.10 176.28 1kn0 h ASP 94 N 9.20 0.92 -4.45 3.32 3.32 -1.29 -3.47 116.42 123.97 1kn0 h ASP 94 Ca -0.25 -0.26 0.13 0.00 0.02 0.00 0.00 57.03 56.66 1kn0 h ASP 94 Cb 1.07 -0.25 -0.18 0.00 0.22 0.00 0.00 39.33 40.20 1kn0 h ASP 94 CO 1.06 0.96 0.56 0.72 -1.72 0.00 0.00 179.24 180.81 1kn0 s PHE 95 N -5.18 -0.31 -0.35 4.55 -0.12 -1.11 -4.98 117.98 110.47 1kn0 s PHE 95 Ca -0.12 0.28 0.00 0.00 -0.05 0.00 0.00 56.93 57.04 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 0.83 -0.44 0.23 0.08 -0.05 0.00 0.00 175.22 175.87 1kn0 s VAL 96 N -2.55 0.06 0.05 -2.49 1.01 -1.26 -2.26 120.40 112.96 1kn0 s VAL 96 Ca 0.04 -1.57 -0.05 0.00 0.00 0.00 0.00 61.98 60.40 1kn0 s VAL 96 Cb -0.01 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 1kn0 s VAL 96 CO -0.06 -0.92 0.28 -1.81 0.00 0.00 0.00 175.10 172.59 1kn0 s ASP 97 N 1.16 6.47 -0.26 3.32 1.01 -0.05 -4.93 116.67 123.38 1kn0 s ASP 97 Ca 0.18 0.51 0.00 0.00 0.71 0.00 0.00 52.55 53.95 1kn0 s ASP 97 Cb -0.22 -2.06 0.04 0.00 1.01 0.00 0.00 42.92 41.69 1kn0 s ASP 97 CO -0.01 0.19 -0.07 -0.22 0.21 0.00 0.00 175.17 175.27 1kn0 s LEU 98 N -2.13 3.39 -0.33 1.23 2.96 -1.26 -0.46 118.68 122.08 1kn0 s LEU 98 Ca 0.32 -1.16 0.02 0.00 -0.22 0.00 0.00 54.13 53.09 1kn0 s LEU 98 Cb -0.13 -1.62 0.09 0.00 0.50 0.00 0.00 46.19 45.03 1kn0 s LEU 98 CO 0.21 -0.18 0.04 0.20 -1.32 0.00 0.00 176.35 175.30 1kn0 s ASN 99 N 1.22 4.83 -0.50 3.68 0.01 -0.23 -4.86 114.94 119.09 1kn0 s ASN 99 Ca -0.04 -1.85 -0.30 0.00 -0.71 0.00 0.00 52.86 49.95 1kn0 s ASN 99 Cb -0.18 -1.67 0.04 0.00 0.41 0.00 0.00 41.25 39.85 1kn0 s ASN 99 CO -0.04 -0.36 0.65 -0.46 -1.51 0.00 0.00 177.10 175.38 1kn0 n ASN 100 N 4.41 -5.84 0.00 -1.22 6.94 -1.26 -2.28 115.26 116.02 1kn0 n ASN 100 Ca -0.03 -0.16 0.00 0.00 -0.02 0.00 0.00 54.58 54.37 1kn0 n ASN 100 Cb 0.42 -2.29 0.00 0.00 -2.36 0.00 0.00 39.78 35.55 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 -0.42 0.03 3.59 4.83 0.00 -1.26 -4.93 105.19 107.02 1kn0 n GLY 101 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 2.81 -0.15 1.61 1.02 -0.96 -4.33 119.74 119.14 1kn0 s LYS 102 Ca 0.00 -0.54 -0.08 0.00 0.02 0.00 0.00 55.97 55.38 1kn0 s LYS 102 Cb 0.00 -2.62 -0.04 0.00 -0.52 0.00 0.00 37.83 34.65 1kn0 s LYS 102 CO 0.00 0.65 0.11 -0.06 -0.92 0.00 0.00 175.35 175.13 1kn0 s PHE 103 N -0.76 3.45 -0.29 3.18 0.40 -0.20 -1.07 117.98 122.70 1kn0 s PHE 103 Ca 0.12 0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.84 1kn0 s PHE 103 Cb -0.11 -2.02 0.07 0.00 0.51 0.00 0.00 43.02 41.47 1kn0 s PHE 103 CO 0.02 0.49 -0.04 0.71 0.70 0.00 0.00 175.22 177.10 1kn0 s TYR 104 N -0.36 3.43 -0.07 0.36 1.51 0.39 -3.69 117.35 118.93 1kn0 s TYR 104 Ca 0.11 -2.48 0.04 0.00 -1.01 0.00 0.00 57.07 53.74 1kn0 s TYR 104 Cb -0.12 -2.30 -0.02 0.00 -0.11 0.00 0.00 41.96 39.42 1kn0 s TYR 104 CO 0.01 -0.90 -0.20 0.08 -1.11 0.00 0.00 175.55 173.44 1kn0 s VAL 105 N 1.06 2.50 -0.08 0.71 1.01 0.41 -0.87 120.40 125.14 1kn0 s VAL 105 Ca -0.02 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1kn0 s VAL 105 Cb -0.20 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.24 1kn0 s VAL 105 CO -0.05 0.57 -0.17 -0.83 0.00 0.00 0.00 175.10 174.62 1kn0 s GLY 106 N -0.25 0.99 0.00 4.51 0.00 -0.96 -1.92 107.32 109.69 1kn0 s GLY 106 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.10 1kn0 s GLY 106 CO 0.03 -0.05 -0.01 0.14 0.00 0.00 0.00 173.10 173.22 1kn0 s VAL 107 N 0.54 0.03 0.11 1.40 1.01 -0.36 -0.73 120.40 122.42 1kn0 s VAL 107 Ca -0.16 -0.12 0.10 0.00 0.00 0.00 0.00 61.98 61.80 1kn0 s VAL 107 Cb -0.17 -0.06 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 1kn0 s VAL 107 CO 0.06 -0.06 -0.25 0.00 0.00 0.00 0.00 175.10 174.85 1kn0 s ALA 109 N -1.06 0.45 -0.29 0.00 0.00 -0.64 -1.24 121.76 118.99 1kn0 s ALA 109 Ca 0.12 -0.41 -0.04 0.00 0.00 0.00 0.00 51.96 51.62 1kn0 s ALA 109 Cb -0.10 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.00 1kn0 s ALA 109 CO 0.05 0.05 0.03 -0.06 0.00 0.00 0.00 175.76 175.83 1kn0 s PHE 110 N -0.60 3.16 -0.09 0.00 0.40 0.11 0.75 117.98 121.72 1kn0 s PHE 110 Ca -0.03 -1.37 -0.00 0.00 -0.60 0.00 0.00 56.93 54.93 1kn0 s PHE 110 Cb -0.05 -2.18 -0.03 0.00 0.51 0.00 0.00 43.02 41.27 1kn0 s PHE 110 CO -0.00 -0.69 -0.07 0.08 0.70 0.00 0.00 175.22 175.25 1kn0 s VAL 111 N 1.39 3.70 -0.12 -0.44 1.01 -0.31 -0.23 120.40 125.40 1kn0 s VAL 111 Ca -0.00 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.53 1kn0 s VAL 111 Cb -0.18 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1kn0 s VAL 111 CO -0.00 0.57 -0.18 -0.60 0.00 0.00 0.00 175.10 174.89 1kn0 s ARG 112 N -0.52 3.22 -0.06 2.72 3.52 -0.35 -0.78 118.95 126.71 1kn0 s ARG 112 Ca 0.08 -0.77 0.03 0.00 -0.13 0.00 0.00 55.73 54.93 1kn0 s ARG 112 Cb -0.12 -2.48 -0.02 0.00 -1.56 0.00 0.00 34.95 30.77 1kn0 s ARG 112 CO 0.02 0.20 -0.14 0.08 -0.81 0.00 0.00 175.30 174.66 1kn0 s VAL 113 N 0.33 3.08 0.02 7.11 1.01 0.43 -0.78 120.40 131.60 1kn0 s VAL 113 Ca -0.14 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1kn0 s VAL 113 Cb -0.17 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 1kn0 s VAL 113 CO 0.07 0.58 -0.09 -1.58 0.00 0.00 0.00 175.10 174.08 1kn0 s GLN 114 N -0.54 0.65 0.38 2.72 0.74 0.22 -1.59 119.66 122.24 1kn0 s GLN 114 Ca 0.07 -0.50 0.03 0.00 0.05 0.00 0.00 55.36 55.01 1kn0 s GLN 114 Cb -0.12 -0.58 -0.01 0.00 1.10 0.00 0.00 33.01 33.40 1kn0 s GLN 114 CO 0.01 0.15 0.57 -0.51 -0.55 0.00 0.00 175.29 174.96 1kn0 s LEU 115 N -0.75 3.86 0.65 3.68 1.43 0.66 0.43 118.68 128.63 1kn0 s LEU 115 Ca -0.01 0.15 0.33 0.00 -1.03 0.00 0.00 54.13 53.57 1kn0 s LEU 115 Cb -0.06 -3.04 1.79 0.00 0.03 0.00 0.00 46.19 44.91 1kn0 s LEU 115 CO 0.00 -0.51 2.04 0.07 0.23 0.00 0.00 176.35 178.19 1kn0 h LYS 116 N 0.66 0.00 -0.01 1.70 2.10 -0.81 -0.29 116.57 119.92 1kn0 h LYS 116 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1kn0 h LYS 116 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1kn0 h LYS 116 CO 0.57 0.00 -0.02 -0.40 -2.00 0.00 0.00 179.45 177.60 1kn0 n ASP 117 N -3.16 1.47 0.00 7.07 5.75 -1.20 0.28 116.55 126.76 1kn0 n ASP 117 Ca -0.01 -1.45 0.00 0.00 -0.01 0.00 0.00 54.79 53.33 1kn0 n ASP 117 Cb 0.33 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 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 1.19 0.85 3.74 6.12 0.00 -0.12 -4.76 105.19 112.22 1kn0 n GLY 118 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1kn0 n GLY 118 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kn0 n SER 119 N 0.00 3.07 -3.61 1.61 2.88 -1.26 -4.74 113.62 111.56 1kn0 n SER 119 Ca 0.00 1.12 -0.15 0.00 -1.33 0.00 0.00 58.87 58.51 1kn0 n SER 119 Cb 0.00 -1.57 -0.07 0.00 -0.75 0.00 0.00 64.21 61.83 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 -1.19 -0.44 -0.03 0.66 -0.85 -1.26 -0.25 117.35 113.99 1kn0 s TYR 120 Ca 0.61 0.67 -0.02 0.00 -0.52 0.00 0.00 57.07 57.80 1kn0 s TYR 120 Cb -0.47 0.29 0.01 0.00 0.38 0.00 0.00 41.96 42.17 1kn0 s TYR 120 CO 0.58 -0.55 0.07 -1.01 -1.52 0.00 0.00 175.55 173.13 1kn0 s HIS 121 N -1.58 -0.08 -0.01 -3.49 3.76 -0.62 -5.00 115.29 108.28 1kn0 s HIS 121 Ca -0.10 0.21 0.04 0.00 -0.15 0.00 0.00 55.06 55.06 1kn0 s HIS 121 Cb -0.02 -0.00 -0.01 0.00 1.11 0.00 0.00 32.58 33.66 1kn0 s HIS 121 CO 0.05 -0.05 -0.13 -2.00 -0.85 0.00 0.00 174.74 171.76 1kn0 s GLU 122 N 0.21 1.05 0.30 1.40 2.12 -1.26 -0.42 118.70 122.10 1kn0 s GLU 122 Ca -0.01 -0.47 0.00 0.00 0.36 0.00 0.00 54.97 54.85 1kn0 s GLU 122 Cb -0.02 -1.02 -0.02 0.00 0.26 0.00 0.00 34.13 33.33 1kn0 s GLU 122 CO -0.01 0.28 0.34 0.34 -0.54 0.00 0.00 175.26 175.67 1kn0 s ASP 123 N -0.32 0.92 -0.05 -1.70 -1.08 0.04 -4.94 116.67 109.56 1kn0 s ASP 123 Ca 0.05 -1.51 -0.03 0.00 -0.52 0.00 0.00 52.55 50.54 1kn0 s ASP 123 Cb -0.05 0.56 -0.04 0.00 -1.46 0.00 0.00 42.92 41.93 1kn0 s ASP 123 CO -0.00 -1.11 0.11 -0.69 0.52 0.00 0.00 175.17 173.99 1kn0 s VAL 124 N -3.50 5.04 0.33 1.11 1.01 -1.26 -1.16 120.40 121.97 1kn0 s VAL 124 Ca 0.35 -0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.25 1kn0 s VAL 124 Cb 0.02 -3.26 -0.06 0.00 0.00 0.00 0.00 36.38 33.07 1kn0 s VAL 124 CO 0.20 0.45 -0.07 -0.83 0.00 0.00 0.00 175.10 174.85 1kn0 s GLY 125 N -1.48 2.13 -0.06 4.51 0.00 0.23 -4.42 107.32 108.23 1kn0 s GLY 125 Ca 0.20 -2.06 -0.04 0.00 0.00 0.00 0.00 44.72 42.82 1kn0 s GLY 125 CO 0.11 -1.98 0.14 -0.47 0.00 0.00 0.00 173.10 170.90 1kn0 s TYR 126 N -2.75 -0.16 0.01 1.90 5.04 -1.25 -1.61 117.35 118.53 1kn0 s TYR 126 Ca 0.32 0.42 0.06 0.00 -2.44 0.00 0.00 57.07 55.43 1kn0 s TYR 126 Cb 0.04 -0.02 -0.03 0.00 0.35 0.00 0.00 41.96 42.30 1kn0 s TYR 126 CO 0.15 -0.12 -0.16 0.20 -1.34 0.00 0.00 175.55 174.29 1kn0 s GLY 127 N 0.64 1.58 0.02 8.97 0.00 0.19 -4.08 107.32 114.63 1kn0 s GLY 127 Ca -0.05 -1.11 0.01 0.00 0.00 0.00 0.00 44.72 43.57 1kn0 s GLY 127 CO -0.03 -0.97 -0.04 0.14 0.00 0.00 0.00 173.10 172.20 1kn0 s VAL 128 N -0.88 0.24 -0.23 1.40 1.01 -1.26 -1.22 120.40 119.46 1kn0 s VAL 128 Ca 0.14 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 1kn0 s VAL 128 Cb -0.11 -0.33 0.12 0.00 0.00 0.00 0.00 36.38 36.06 1kn0 s VAL 128 CO 0.04 -0.37 0.36 -0.55 0.00 0.00 0.00 175.10 174.58 1kn0 s SER 129 N -1.24 0.33 0.00 3.32 0.15 -0.81 -4.48 113.70 110.97 1kn0 s SER 129 Ca -0.11 0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.84 1kn0 s SER 129 Cb -0.08 1.03 -0.01 0.00 -1.71 0.00 0.00 66.02 65.25 1kn0 s SER 129 CO -0.00 -0.29 0.33 -0.62 1.20 0.00 0.00 173.24 173.85 1kn0 n GLU 130 N 5.36 3.29 -0.01 5.44 1.02 -1.26 -0.45 120.64 134.05 1kn0 n GLU 130 Ca -0.04 -0.29 -0.01 0.00 -0.02 0.00 0.00 57.16 56.80 1kn0 n GLU 130 Cb 0.50 -0.82 -0.00 0.00 -0.02 0.00 0.00 31.44 31.10 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 0.71 -0.42 0.00 0.62 0.00 -1.24 -4.54 105.19 100.31 1kn0 n GLY 131 Ca 0.01 -0.02 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 -2.63 0.00 0.04 0.99 4.77 -1.26 -3.57 117.00 115.35 1kn0 n LEU 132 Ca -0.01 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.08 1kn0 n LEU 132 Cb 0.03 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1kn0 n LEU 132 CO 0.01 0.00 -0.13 0.29 -1.33 0.00 0.00 177.39 176.23 1kn0 n LYS 133 N 0.00 0.45 -3.30 3.23 5.02 -1.26 -1.03 118.16 121.27 1kn0 n LYS 133 Ca 0.00 -0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 1kn0 n LYS 133 Cb 0.00 -1.65 -0.06 0.00 -0.02 0.00 0.00 35.03 33.30 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 -4.47 6.65 0.00 4.39 0.15 -1.26 -4.80 113.70 114.35 1kn0 s SER 134 Ca 0.00 0.77 -0.23 0.00 0.70 0.00 0.00 55.95 57.19 1kn0 s SER 134 Cb 0.13 -2.29 -0.18 0.00 -1.71 0.00 0.00 66.02 61.97 1kn0 s SER 134 CO 0.82 -0.05 1.28 0.50 1.20 0.00 0.00 173.24 176.99 1kn0 h LYS 135 N 6.92 0.18 -0.07 5.44 3.64 -1.97 -2.49 116.57 128.22 1kn0 h LYS 135 Ca -0.39 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 58.93 1kn0 h LYS 135 Cb 1.17 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 1kn0 h LYS 135 CO 0.75 0.65 -0.34 0.00 -2.27 0.00 0.00 179.45 178.24 1kn0 h ALA 136 N 0.53 -0.46 -0.14 5.00 0.00 -1.99 0.21 119.26 122.41 1kn0 h ALA 136 Ca 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1kn0 h ALA 136 Cb 0.62 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1kn0 h ALA 136 CO 0.02 -0.84 0.08 -0.07 0.00 0.00 0.00 179.25 178.45 1kn0 h LEU 137 N -0.45 0.17 -0.31 0.00 4.07 -1.98 0.35 115.31 117.15 1kn0 h LEU 137 Ca 0.08 -0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.91 1kn0 h LEU 137 Cb 0.57 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 1kn0 h LEU 137 CO -0.32 0.13 -0.27 0.28 -1.08 0.00 0.00 178.44 177.18 1kn0 h SER 138 N 0.19 0.78 -0.12 -0.43 0.02 -0.65 -2.11 113.55 111.23 1kn0 h SER 138 Ca 0.05 -0.46 -0.05 0.00 -0.84 0.00 0.00 61.79 60.50 1kn0 h SER 138 Cb -0.01 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.31 1kn0 h SER 138 CO -0.01 1.07 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.57 1kn0 h LEU 139 N 0.50 0.31 -0.64 5.07 3.38 -0.31 -2.32 115.31 121.30 1kn0 h LEU 139 Ca 0.06 -0.47 0.12 0.00 0.09 0.00 0.00 57.88 57.67 1kn0 h LEU 139 Cb 0.83 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.41 1kn0 h LEU 139 CO 0.07 0.71 0.16 -0.08 0.09 0.00 0.00 178.44 179.40 1kn0 h GLU 140 N -0.10 0.29 0.01 1.13 4.81 -0.97 0.13 114.58 119.89 1kn0 h GLU 140 Ca 0.02 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1kn0 h GLU 140 Cb 0.62 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1kn0 h GLU 140 CO 0.03 0.19 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.27 1kn0 h LYS 141 N 0.30 -0.01 -0.00 1.92 3.64 -1.32 -1.82 116.57 119.27 1kn0 h LYS 141 Ca 0.34 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1kn0 h LYS 141 Cb 0.50 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1kn0 h LYS 141 CO -0.40 0.07 0.00 0.00 -2.27 0.00 0.00 179.45 176.84 1kn0 h ALA 142 N 0.90 0.01 -0.00 5.00 0.00 -0.76 -1.35 119.26 123.05 1kn0 h ALA 142 Ca -0.00 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1kn0 h ALA 142 Cb 0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1kn0 h ALA 142 CO 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 179.25 178.78 1kn0 h ARG 143 N -0.22 -0.16 0.02 0.00 3.08 -0.80 0.30 114.38 116.59 1kn0 h ARG 143 Ca 0.00 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1kn0 h ARG 143 Cb 0.23 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1kn0 h ARG 143 CO 0.00 -0.11 -0.01 0.87 -1.07 0.00 0.00 179.97 179.65 1kn0 h LYS 144 N -0.17 -0.02 -0.91 0.04 1.57 -1.33 -2.81 116.57 112.94 1kn0 h LYS 144 Ca 0.04 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1kn0 h LYS 144 Cb 0.22 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.48 1kn0 h LYS 144 CO -0.10 0.01 0.59 0.93 -0.57 0.00 0.00 179.45 180.31 1kn0 h GLU 145 N -0.06 1.11 -0.57 3.15 5.08 -1.11 -2.34 114.58 119.85 1kn0 h GLU 145 Ca -0.00 -0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.37 1kn0 h GLU 145 Cb 0.05 -0.25 -0.06 0.00 0.50 0.00 0.00 28.75 28.99 1kn0 h GLU 145 CO 0.00 0.74 0.23 0.00 -1.00 0.00 0.00 179.01 178.98 1kn0 h ALA 146 N 1.37 0.73 0.77 3.43 0.00 -0.73 0.42 119.26 125.26 1kn0 h ALA 146 Ca 0.36 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 1kn0 h ALA 146 Cb 0.00 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1kn0 h ALA 146 CO -0.12 -0.16 -0.37 0.28 0.00 0.00 0.00 179.25 178.88 1kn0 h VAL 147 N 0.43 0.15 -0.61 0.00 2.07 -1.22 0.19 116.25 117.26 1kn0 h VAL 147 Ca 0.28 -0.15 0.11 0.00 0.82 0.00 0.00 66.70 67.75 1kn0 h VAL 147 Cb 0.29 0.17 -0.08 0.00 -1.52 0.00 0.00 31.29 30.16 1kn0 h VAL 147 CO -0.26 0.01 0.17 0.74 0.02 0.00 0.00 177.57 178.26 1kn0 h THR 148 N -1.16 0.69 -0.24 2.57 2.02 -1.15 0.25 112.91 115.89 1kn0 h THR 148 Ca -0.11 -0.11 0.05 0.00 0.77 0.00 0.00 66.41 67.01 1kn0 h THR 148 Cb 0.81 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 1kn0 h THR 148 CO 0.17 0.06 -0.06 -0.78 0.37 0.00 0.00 175.52 175.28 1kn0 h ASP 149 N 0.32 -0.22 -0.15 4.18 3.58 -0.04 -0.67 116.42 123.43 1kn0 h ASP 149 Ca 0.32 0.07 0.04 0.00 0.42 0.00 0.00 57.03 57.88 1kn0 h ASP 149 Cb 0.45 0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.60 1kn0 h ASP 149 CO -0.37 -0.08 -0.10 1.23 -2.88 0.00 0.00 179.24 177.05 1kn0 h GLY 150 N 0.00 0.02 0.47 -0.78 0.00 0.91 -1.13 103.07 102.57 1kn0 h GLY 150 Ca 0.11 0.12 0.08 0.00 0.00 0.00 0.00 47.33 47.65 1kn0 h GLY 150 CO -0.24 -0.11 0.25 -2.00 0.00 0.00 0.00 176.54 174.43 1kn0 h LEU 151 N -0.10 0.28 -0.02 3.11 5.85 -0.01 -0.31 115.31 124.11 1kn0 h LEU 151 Ca 0.09 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1kn0 h LEU 151 Cb 0.23 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1kn0 h LEU 151 CO -0.21 0.18 0.01 0.11 -0.34 0.00 0.00 178.44 178.19 1kn0 h LYS 152 N 0.45 0.03 -0.02 1.25 1.57 -0.78 -1.45 116.57 117.63 1kn0 h LYS 152 Ca 0.29 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1kn0 h LYS 152 Cb 0.32 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1kn0 h LYS 152 CO -0.27 0.13 0.01 0.00 -0.57 0.00 0.00 179.45 178.75 1kn0 h ARG 153 N -0.07 0.00 -0.02 3.15 3.08 -0.76 -1.50 114.38 118.26 1kn0 h ARG 153 Ca 0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1kn0 h ARG 153 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1kn0 h ARG 153 CO -0.00 0.00 -0.07 0.00 -1.07 0.00 0.00 179.97 178.83 1kn0 h ALA 154 N 1.99 0.03 -0.21 0.04 0.00 -0.69 -3.19 119.26 117.24 1kn0 h ALA 154 Ca 0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1kn0 h ALA 154 Cb 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1kn0 h ALA 154 CO -0.00 -0.09 0.09 -0.07 0.00 0.00 0.00 179.25 179.18 1kn0 h LEU 155 N -0.54 0.25 -1.70 0.00 3.38 -0.92 -2.04 115.31 113.74 1kn0 h LEU 155 Ca -0.00 -0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.15 1kn0 h LEU 155 Cb 0.73 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 1kn0 h LEU 155 CO 0.01 0.23 0.55 0.03 0.09 0.00 0.00 178.44 179.36 1kn0 h ARG 156 N 0.29 0.25 0.00 1.13 3.08 -1.26 -0.49 114.38 117.38 1kn0 h ARG 156 Ca 0.07 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1kn0 h ARG 156 Cb 0.05 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1kn0 h ARG 156 CO -0.01 0.17 0.04 0.77 -1.07 0.00 0.00 179.97 179.87 1kn0 h SER 157 N 0.26 0.00 1.21 7.04 0.02 -1.47 -2.31 113.55 118.30 1kn0 h SER 157 Ca 0.41 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.24 1kn0 h SER 157 Cb 1.19 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 1kn0 h SER 157 CO -0.10 0.00 -0.53 -0.26 -1.14 0.00 0.00 176.83 174.80 1kn0 h PHE 158 N 0.00 0.00 0.00 3.45 -1.00 -1.27 -3.49 116.94 114.63 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 0.07 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.63 1kn0 h PHE 158 CO 0.00 0.53 0.00 0.41 -1.61 0.00 0.00 178.31 177.64 1kn0 n GLY 159 N 0.91 1.28 0.37 -1.45 0.00 -0.87 -4.96 105.19 100.47 1kn0 n GLY 159 Ca 0.01 -1.31 0.01 0.00 0.00 0.00 0.00 46.02 44.72 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 0.99 0.00 1.61 2.35 -1.48 -1.92 115.58 117.13 1kn0 h ASN 160 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1kn0 h ASN 160 Cb 0.00 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.13 1kn0 h ASN 160 CO 0.00 0.69 0.05 0.00 -1.65 0.00 0.00 177.43 176.53 1kn0 h ALA 161 N 1.46 1.05 -0.33 -0.83 0.00 0.14 -0.35 119.26 120.41 1kn0 h ALA 161 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1kn0 h ALA 161 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1kn0 h ALA 161 CO -0.09 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.39 1kn0 n LEU 162 N -2.89 3.68 0.00 0.00 4.77 -0.75 -4.89 117.00 116.92 1kn0 n LEU 162 Ca -0.03 -2.63 0.00 0.00 -0.03 0.00 0.00 56.01 53.33 1kn0 n LEU 162 Cb 0.11 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1kn0 n LEU 162 CO 0.17 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 1kn0 n GLY 163 N -0.01 0.97 0.12 -0.72 0.00 -0.14 -3.78 105.19 101.62 1kn0 n GLY 163 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 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 0.53 0.08 1.61 5.15 -1.03 -2.21 115.26 119.38 1kn0 n ASN 164 Ca 0.00 0.66 -0.12 0.00 -0.60 0.00 0.00 54.58 54.52 1kn0 n ASN 164 Cb 0.00 -0.76 -0.13 0.00 -0.53 0.00 0.00 39.78 38.35 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 0.04 0.00 0.04 0.00 6.09 -1.77 0.50 117.51 122.41 1kn0 h ILE 166 Ca -0.12 0.00 -0.34 0.00 -1.37 0.00 0.00 64.86 63.03 1kn0 h ILE 166 Cb 1.91 0.20 -0.05 0.00 0.47 0.00 0.00 36.82 39.36 1kn0 h ILE 166 CO 0.16 0.00 -2.02 0.18 -3.07 0.00 0.00 178.15 173.41 1kn0 n LEU 167 N -2.12 1.56 -4.66 2.19 4.77 -1.24 -4.92 117.00 112.57 1kn0 n LEU 167 Ca -0.01 0.21 -0.45 0.00 -0.03 0.00 0.00 56.01 55.73 1kn0 n LEU 167 Cb 0.57 -0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 41.30 1kn0 n LEU 167 CO 0.04 0.63 1.58 -0.67 -1.33 0.00 0.00 177.39 177.63 1kn0 n ASP 168 N -3.16 3.79 -0.07 -1.43 -0.08 0.17 -4.89 116.55 110.88 1kn0 n ASP 168 Ca -0.28 0.89 -0.11 0.00 -1.51 0.00 0.00 54.79 53.78 1kn0 n ASP 168 Cb 1.06 -1.46 -0.04 0.00 2.34 0.00 0.00 41.12 43.02 1kn0 n ASP 168 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1kn0 h LYS 169 N 10.30 0.36 -1.00 -0.67 1.57 -1.91 -1.96 116.57 123.26 1kn0 h LYS 169 Ca -0.49 -0.08 0.11 0.00 -1.87 0.00 0.00 60.65 58.32 1kn0 h LYS 169 Cb 1.26 -0.05 -0.08 0.00 0.08 0.00 0.00 32.23 33.44 1kn0 h LYS 169 CO 0.95 0.46 0.63 -0.44 -0.57 0.00 0.00 179.45 180.48 1kn0 h ASP 170 N 0.19 0.94 -0.01 0.86 3.32 -1.96 -1.06 116.42 118.70 1kn0 h ASP 170 Ca 0.07 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1kn0 h ASP 170 Cb 0.26 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1kn0 h ASP 170 CO -0.00 0.53 0.01 0.22 -1.72 0.00 0.00 179.24 178.28 1kn0 h TYR 171 N 1.03 0.02 -0.12 4.55 3.20 -1.80 -2.71 116.97 121.14 1kn0 h TYR 171 Ca 0.48 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.38 1kn0 h TYR 171 Cb 0.41 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 1kn0 h TYR 171 CO -0.00 0.04 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.37 1kn0 h LEU 172 N -0.01 -0.35 -0.72 2.82 3.38 -0.46 -2.11 115.31 117.84 1kn0 h LEU 172 Ca 0.00 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.15 1kn0 h LEU 172 Cb 0.03 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.88 1kn0 h LEU 172 CO -0.00 -0.15 0.34 0.03 0.09 0.00 0.00 178.44 178.74 1kn0 h ARG 173 N -0.14 0.54 0.00 1.13 3.08 -1.28 0.37 114.38 118.08 1kn0 h ARG 173 Ca 0.08 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1kn0 h ARG 173 Cb 0.26 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1kn0 h ARG 173 CO -0.20 0.35 0.00 0.77 -1.07 0.00 0.00 179.97 179.82 1kn0 h SER 174 N 0.55 0.00 0.21 7.04 0.02 -1.06 -1.99 113.55 118.32 1kn0 h SER 174 Ca 0.37 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 61.02 1kn0 h SER 174 Cb 0.45 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.02 1kn0 h SER 174 CO -0.31 0.00 -1.31 -0.07 -1.14 0.00 0.00 176.83 174.00 1kn0 h LEU 175 N 0.00 0.79 -0.62 5.07 3.38 0.20 -3.30 115.31 120.84 1kn0 h LEU 175 Ca 0.00 -0.90 -0.04 0.00 0.09 0.00 0.00 57.88 57.03 1kn0 h LEU 175 Cb 0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1kn0 h LEU 175 CO 0.00 1.64 0.24 0.78 0.09 0.00 0.00 178.44 181.19 1kn0 h ASN 176 N 0.08 0.86 0.00 -0.43 2.35 -1.06 -2.23 115.58 115.15 1kn0 h ASN 176 Ca -0.22 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 1kn0 h ASN 176 Cb 2.02 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 40.17 1kn0 h ASN 176 CO 0.25 0.80 0.00 0.29 -1.65 0.00 0.00 177.43 177.12 1kn0 n LYS 177 N -4.44 0.26 -4.34 0.81 5.02 -1.01 -4.68 118.16 109.78 1kn0 n LYS 177 Ca 0.04 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.11 1kn0 n LYS 177 Cb 0.17 -1.14 -0.11 0.00 -0.02 0.00 0.00 35.03 33.93 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 2.44 -0.35 -0.35 1.43 -0.84 -5.06 118.68 115.96 1kn0 s LEU 178 Ca 0.00 -0.87 -0.28 0.00 -1.03 0.00 0.00 54.13 51.95 1kn0 s LEU 178 Cb 0.00 -0.85 -0.07 0.00 0.03 0.00 0.00 46.19 45.31 1kn0 s LEU 178 CO 0.00 -0.03 2.31 -2.65 0.23 0.00 0.00 176.35 176.21 1kn0 n PRO 179 N 0.25 1.51 -1.69 1.29 -0.02 -1.26 -4.82 135.00 130.26 1kn0 n PRO 179 Ca -0.13 0.30 -0.17 0.00 -2.02 0.00 0.00 63.50 61.48 1kn0 n PRO 179 Cb 0.57 -3.24 -0.10 0.00 -0.02 0.00 0.00 33.50 30.71 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 7.16 1.43 0.95 -0.52 3.00 -1.26 -4.89 118.95 124.82 1kn0 s ARG 180 Ca 1.01 -0.47 -0.11 0.00 -1.00 0.00 0.00 55.73 55.15 1kn0 s ARG 180 Cb -0.33 -5.01 0.11 0.00 0.00 0.00 0.00 34.95 29.73 1kn0 s ARG 180 CO 0.33 -5.17 0.81 0.00 0.00 0.00 0.00 175.30 171.28 1kn0 n GLN 181 N 8.25 -0.54 -3.82 5.12 10.64 -1.26 -5.01 117.38 130.76 1kn0 n GLN 181 Ca 0.42 -0.10 -0.32 0.00 -1.83 0.00 0.00 57.00 55.17 1kn0 n GLN 181 Cb 0.47 -2.14 -0.04 0.00 -0.86 0.00 0.00 30.24 27.66 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 -4.31 4.33 0.13 2.61 2.96 -1.26 -5.03 118.68 118.11 1kn0 s LEU 182 Ca 0.63 0.41 -0.25 0.00 -0.22 0.00 0.00 54.13 54.70 1kn0 s LEU 182 Cb -0.22 -3.04 -0.14 0.00 0.50 0.00 0.00 46.19 43.28 1kn0 s LEU 182 CO 0.62 0.14 0.51 -2.65 -1.32 0.00 0.00 176.35 173.65 1kn0 n PRO 183 N 0.32 0.00 -2.63 0.98 -0.02 -1.26 -4.89 135.00 127.51 1kn0 n PRO 183 Ca -0.05 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.02 1kn0 n PRO 183 Cb 0.51 -0.89 -0.05 0.00 -0.02 0.00 0.00 33.50 33.06 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 2.00 4.55 0.05 2.45 2.01 -1.26 -5.01 118.68 123.46 1kn0 s LEU 184 Ca 0.56 2.01 -0.30 0.00 0.01 0.00 0.00 54.13 56.41 1kn0 s LEU 184 Cb -0.81 -3.61 -0.04 0.00 0.01 0.00 0.00 46.19 41.74 1kn0 s LEU 184 CO 0.46 -0.07 0.99 -0.70 1.01 0.00 0.00 176.35 178.04 1kn0 s GLU 185 N -0.66 4.60 -0.39 1.70 2.12 -1.26 -5.01 118.70 119.80 1kn0 s GLU 185 Ca 0.46 1.46 -0.18 0.00 0.36 0.00 0.00 54.97 57.07 1kn0 s GLU 185 Cb -0.27 -3.42 0.01 0.00 0.26 0.00 0.00 34.13 30.71 1kn0 s GLU 185 CO 0.34 0.04 0.48 0.08 -0.54 0.00 0.00 175.26 175.66 1kn0 s VAL 186 N 0.62 5.03 -0.71 3.70 1.01 -1.26 -5.02 120.40 123.77 1kn0 s VAL 186 Ca 0.50 -0.00 -0.27 0.00 0.00 0.00 0.00 61.98 62.21 1kn0 s VAL 186 Cb -0.22 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.17 1kn0 s VAL 186 CO 0.29 -0.34 1.30 -0.62 0.00 0.00 0.00 175.10 175.73 1kn0 s ASP 187 N 1.82 6.15 -0.18 3.32 2.15 -1.26 -4.89 116.67 123.78 1kn0 s ASP 187 Ca 0.16 -0.34 0.04 0.00 0.43 0.00 0.00 52.55 52.84 1kn0 s ASP 187 Cb -0.16 -2.56 0.38 0.00 -0.30 0.00 0.00 42.92 40.28 1kn0 s ASP 187 CO 0.14 -1.82 1.32 0.18 -0.17 0.00 0.00 175.17 174.82 1kn0 n LEU 188 N 9.42 4.22 -0.04 -1.34 4.77 -1.26 -4.40 117.00 128.37 1kn0 n LEU 188 Ca 0.04 -2.19 -0.13 0.00 -0.03 0.00 0.00 56.01 53.70 1kn0 n LEU 188 Cb 0.49 -0.64 -0.09 0.00 -2.33 0.00 0.00 43.42 40.86 1kn0 n LEU 188 CO 0.71 0.62 0.57 0.71 -1.33 0.00 0.00 177.39 178.67 1kn0 h THR 189 N 1.25 1.39 -0.58 -5.08 1.35 -2.04 -3.12 112.91 106.08 1kn0 h THR 189 Ca 0.17 -1.38 -0.24 0.00 -0.55 0.00 0.00 66.41 64.41 1kn0 h THR 189 Cb 1.63 2.12 -0.15 0.00 -1.73 0.00 0.00 68.15 70.03 1kn0 h THR 189 CO 0.42 0.39 0.31 0.29 -0.25 0.00 0.00 175.52 176.68 1kn0 n LYS 190 N -4.63 2.36 -2.31 4.72 5.02 -1.26 -4.95 118.16 117.11 1kn0 n LYS 190 Ca -0.07 -2.04 -0.36 0.00 -2.02 0.00 0.00 58.31 53.81 1kn0 n LYS 190 Cb 0.36 -1.85 -0.01 0.00 -0.02 0.00 0.00 35.03 33.50 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 -2.19 2.93 0.10 7.82 0.00 -1.18 -4.96 121.76 124.27 1kn0 s ALA 191 Ca 0.38 0.86 -0.31 0.00 0.00 0.00 0.00 51.96 52.89 1kn0 s ALA 191 Cb 0.31 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.99 1kn0 s ALA 191 CO 0.08 -0.60 1.58 0.21 0.00 0.00 0.00 175.76 177.03 1kn0 s LYS 192 N -2.82 4.22 0.00 0.00 2.20 -1.26 -4.91 119.74 117.17 1kn0 s LYS 192 Ca 0.65 2.28 0.05 0.00 -0.36 0.00 0.00 55.97 58.59 1kn0 s LYS 192 Cb -0.26 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.60 1kn0 s LYS 192 CO 0.31 -0.65 0.28 0.54 -0.36 0.00 0.00 175.35 175.48 1kn0 n ARG 193 N 4.89 4.55 -3.93 4.03 1.74 -1.26 -5.05 116.66 121.63 1kn0 n ARG 193 Ca 0.15 -0.11 -0.09 0.00 -0.77 0.00 0.00 57.85 57.02 1kn0 n ARG 193 Cb 0.40 -0.79 -0.07 0.00 -1.02 0.00 0.00 32.46 30.98 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 -1.36 1.02 0.04 5.56 1.03 -1.26 -5.11 119.66 119.59 1kn0 s GLN 194 Ca 0.03 -1.10 -0.28 0.00 0.04 0.00 0.00 55.36 54.05 1kn0 s GLN 194 Cb 0.04 0.36 -0.15 0.00 0.03 0.00 0.00 33.01 33.28 1kn0 s GLN 194 CO 0.19 -0.35 1.38 -0.44 -2.54 0.00 0.00 175.29 173.53 1kn0 h ASP 195 N 2.64 -0.85 -1.78 12.60 3.32 -2.05 -3.46 116.42 126.84 1kn0 h ASP 195 Ca -0.33 0.03 -0.62 0.00 0.02 0.00 0.00 57.03 56.14 1kn0 h ASP 195 Cb 1.22 0.22 0.16 0.00 0.22 0.00 0.00 39.33 41.15 1kn0 h ASP 195 CO 0.52 -0.59 -0.99 -0.11 -1.72 0.00 0.00 179.24 176.35 1kn0 n LEU 196 N -4.77 -3.00 -3.45 1.55 7.94 -1.26 -4.99 117.00 109.02 1kn0 n LEU 196 Ca -0.12 0.77 -0.28 0.00 -1.11 0.00 0.00 56.01 55.27 1kn0 n LEU 196 Cb 0.39 -0.88 -0.11 0.00 0.53 0.00 0.00 43.42 43.36 1kn0 n LEU 196 CO 0.30 -4.32 -0.30 -1.61 -1.11 0.00 0.00 177.39 170.34 1kn0 s GLU 197 N -1.02 0.89 0.21 1.96 0.41 -1.26 -5.02 118.70 114.86 1kn0 s GLU 197 Ca 0.59 -1.93 -0.12 0.00 -0.41 0.00 0.00 54.97 53.10 1kn0 s GLU 197 Cb -0.60 -1.52 0.26 0.00 -1.78 0.00 0.00 34.13 30.49 1kn0 s GLU 197 CO 0.63 -1.32 1.66 -1.35 -0.49 0.00 0.00 175.26 174.40 1kn0 h PRO 198 N 6.09 0.09 -0.30 0.39 0.11 -1.97 0.51 132.00 136.90 1kn0 h PRO 198 Ca 0.19 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.36 1kn0 h PRO 198 Cb 0.92 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 31.95 1kn0 h PRO 198 CO 0.36 0.06 -0.09 1.03 -0.21 0.00 0.00 178.00 179.14 1kn0 h SER 199 N 0.09 -0.34 0.58 -2.05 0.87 -2.00 -0.94 113.55 109.77 1kn0 h SER 199 Ca 0.30 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.93 1kn0 h SER 199 Cb 0.48 0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1kn0 h SER 199 CO -0.52 -0.12 -0.28 0.58 -0.53 0.00 0.00 176.83 175.96 1kn0 h VAL 200 N -0.03 0.22 -1.23 2.23 2.07 -1.70 -2.86 116.25 114.94 1kn0 h VAL 200 Ca 0.15 -0.38 0.37 0.00 0.82 0.00 0.00 66.70 67.66 1kn0 h VAL 200 Cb 0.26 0.30 -0.11 0.00 -1.52 0.00 0.00 31.29 30.22 1kn0 h VAL 200 CO -0.33 0.03 0.81 -0.08 0.02 0.00 0.00 177.57 178.02 1kn0 h GLU 201 N -1.09 0.18 0.22 1.57 4.57 0.11 -1.11 114.58 119.03 1kn0 h GLU 201 Ca -0.08 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1kn0 h GLU 201 Cb 0.65 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1kn0 h GLU 201 CO 0.13 0.12 -0.10 1.49 -1.18 0.00 0.00 179.01 179.46 1kn0 h GLU 202 N 0.18 -0.28 -0.97 1.92 4.81 -1.13 -2.34 114.58 116.77 1kn0 h GLU 202 Ca 0.72 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 60.09 1kn0 h GLU 202 Cb 2.22 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 31.58 1kn0 h GLU 202 CO -0.33 0.10 0.62 0.00 -0.73 0.00 0.00 179.01 178.67 1kn0 h ALA 203 N -0.35 1.57 0.07 2.92 0.00 -1.01 -2.03 119.26 120.43 1kn0 h ALA 203 Ca -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1kn0 h ALA 203 Cb 0.51 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1kn0 h ALA 203 CO 0.05 0.19 -0.03 -0.09 0.00 0.00 0.00 179.25 179.37 1kn0 h ARG 204 N 0.95 -0.09 -0.93 0.00 2.43 -1.33 -2.55 114.38 112.85 1kn0 h ARG 204 Ca 0.48 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.80 1kn0 h ARG 204 Cb 0.49 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.99 1kn0 h ARG 204 CO -0.24 0.22 0.60 -0.92 -1.51 0.00 0.00 179.97 178.12 1kn0 h TYR 205 N -0.41 0.93 0.00 2.20 3.20 -0.86 0.52 116.97 122.55 1kn0 h TYR 205 Ca -0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1kn0 h TYR 205 Cb 0.35 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.33 1kn0 h TYR 205 CO 0.03 0.34 0.00 0.09 -1.64 0.00 0.00 178.16 176.97 1kn0 n ASN 206 N -4.59 0.00 -0.58 -2.11 3.02 -0.81 -2.79 115.26 107.38 1kn0 n ASN 206 Ca 0.18 -0.34 0.13 0.00 -0.03 0.00 0.00 54.58 54.52 1kn0 n ASN 206 Cb 0.45 -0.20 0.42 0.00 -0.61 0.00 0.00 39.78 39.85 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 -1.20 1.80 -0.44 6.41 2.88 0.18 -5.08 113.62 118.18 1kn0 n SER 207 Ca 0.15 -1.63 0.05 0.00 -1.33 0.00 0.00 58.87 56.12 1kn0 n SER 207 Cb 0.18 -0.04 0.05 0.00 -0.75 0.00 0.00 64.21 63.64 1kn0 n SER 207 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81