#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 3.58 0.00 0.00 5.36 -1.26 -0.53 117.98 125.13 1kn0 s PHE 26 Ca 0.00 1.63 0.00 0.00 -0.96 0.00 0.00 56.93 57.60 1kn0 s PHE 26 Cb 0.00 -3.17 0.00 0.00 -0.34 0.00 0.00 43.02 39.51 1kn0 s PHE 26 CO 0.00 -0.20 0.00 0.41 -1.46 0.00 0.00 175.22 173.97 1kn0 n GLY 27 N 3.00 3.29 0.07 13.12 0.00 0.60 -4.81 105.19 120.45 1kn0 n GLY 27 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.53 0.41 -1.20 1.61 1.13 -1.05 -4.10 117.38 112.65 1kn0 n GLN 28 Ca 0.00 0.33 -0.41 0.00 -1.94 0.00 0.00 57.00 54.98 1kn0 n GLN 28 Cb 0.00 -1.41 -0.03 0.00 0.11 0.00 0.00 30.24 28.92 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 -0.81 2.92 0.44 0.00 -0.21 -1.26 -3.38 119.66 117.36 1kn0 s GLN 30 Ca 0.56 -0.72 -0.26 0.00 0.02 0.00 0.00 55.36 54.96 1kn0 s GLN 30 Cb -0.81 -2.46 -0.08 0.00 1.00 0.00 0.00 33.01 30.66 1kn0 s GLN 30 CO 0.48 0.40 1.42 0.71 -2.12 0.00 0.00 175.29 176.18 1kn0 s TYR 31 N -0.15 2.49 0.38 0.91 1.51 -1.26 -4.99 117.35 116.24 1kn0 s TYR 31 Ca -0.01 1.26 -0.10 0.00 -1.01 0.00 0.00 57.07 57.21 1kn0 s TYR 31 Cb -0.14 -3.91 -0.07 0.00 -0.11 0.00 0.00 41.96 37.73 1kn0 s TYR 31 CO 0.03 -2.89 0.74 0.95 -1.11 0.00 0.00 175.55 173.27 1kn0 s THR 32 N -1.20 4.80 0.26 -0.71 -4.23 -1.26 -4.84 115.64 108.47 1kn0 s THR 32 Ca 0.60 0.59 -0.02 0.00 -1.18 0.00 0.00 61.69 61.68 1kn0 s THR 32 Cb -0.44 -3.72 0.26 0.00 1.34 0.00 0.00 72.50 69.95 1kn0 s THR 32 CO 0.56 -0.46 1.68 0.00 -0.54 0.00 0.00 174.62 175.86 1kn0 h ALA 33 N 1.41 1.10 0.19 3.99 0.00 -1.99 0.11 119.26 124.08 1kn0 h ALA 33 Ca -0.47 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1kn0 h ALA 33 Cb 1.19 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1kn0 h ALA 33 CO 0.64 -0.36 -0.16 0.93 0.00 0.00 0.00 179.25 180.30 1kn0 h GLU 34 N 0.28 -0.35 -0.31 0.00 3.07 -1.99 -0.62 114.58 114.66 1kn0 h GLU 34 Ca 0.47 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.32 1kn0 h GLU 34 Cb 0.85 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 1kn0 h GLU 34 CO -0.55 -0.23 0.05 1.49 -1.40 0.00 0.00 179.01 178.37 1kn0 h GLU 35 N -0.36 0.51 0.00 2.33 4.81 -1.72 -1.44 114.58 118.72 1kn0 h GLU 35 Ca -0.01 -0.14 0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1kn0 h GLU 35 Cb 0.33 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 1kn0 h GLU 35 CO -0.02 0.61 -0.33 -0.92 -0.73 0.00 0.00 179.01 177.61 1kn0 h TYR 36 N 0.34 -0.92 -0.49 0.92 3.20 -0.71 0.15 116.97 119.47 1kn0 h TYR 36 Ca 0.09 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.04 1kn0 h TYR 36 Cb 0.34 0.40 -0.05 0.00 1.54 0.00 0.00 36.73 38.97 1kn0 h TYR 36 CO 0.02 -0.42 0.22 0.37 -1.64 0.00 0.00 178.16 176.71 1kn0 h GLN 37 N -0.49 0.43 -0.06 1.82 4.15 -0.98 0.16 115.11 120.13 1kn0 h GLN 37 Ca 0.06 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 1kn0 h GLN 37 Cb 0.57 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.16 1kn0 h GLN 37 CO -0.27 0.28 0.04 0.00 -1.93 0.00 0.00 178.83 176.95 1kn0 h ALA 38 N 1.28 0.08 -0.60 3.38 0.00 -0.82 -2.08 119.26 120.50 1kn0 h ALA 38 Ca 0.22 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1kn0 h ALA 38 Cb 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1kn0 h ALA 38 CO -0.18 -0.40 0.09 0.82 0.00 0.00 0.00 179.25 179.58 1kn0 h ILE 39 N 0.05 1.26 -0.95 0.00 2.04 -0.70 -0.35 117.51 118.86 1kn0 h ILE 39 Ca 0.02 -1.00 0.04 0.00 1.00 0.00 0.00 64.86 64.93 1kn0 h ILE 39 Cb 0.03 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 1kn0 h ILE 39 CO -0.00 0.37 0.62 -0.61 0.00 0.00 0.00 178.15 178.52 1kn0 h GLN 40 N 0.90 1.13 0.21 2.37 5.75 -0.53 -0.56 115.11 124.37 1kn0 h GLN 40 Ca 0.18 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 1kn0 h GLN 40 Cb 0.43 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 28.73 1kn0 h GLN 40 CO 0.01 0.75 -0.10 0.87 -2.65 0.00 0.00 178.83 177.71 1kn0 h LYS 41 N 1.16 -0.27 -0.78 1.69 1.57 -1.03 -3.33 116.57 115.59 1kn0 h LYS 41 Ca 0.39 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 59.36 1kn0 h LYS 41 Cb 0.06 0.06 -0.12 0.00 0.08 0.00 0.00 32.23 32.31 1kn0 h LYS 41 CO -0.13 0.11 0.18 0.00 -0.57 0.00 0.00 179.45 179.05 1kn0 h ALA 42 N -0.41 1.03 -0.08 3.86 0.00 -0.76 -0.54 119.26 122.35 1kn0 h ALA 42 Ca -0.03 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1kn0 h ALA 42 Cb 0.51 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1kn0 h ALA 42 CO 0.05 -0.37 0.11 -0.07 0.00 0.00 0.00 179.25 178.97 1kn0 h LEU 43 N 0.25 0.00 -0.82 0.00 3.38 -1.21 -1.57 115.31 115.34 1kn0 h LEU 43 Ca 0.45 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.32 1kn0 h LEU 43 Cb 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1kn0 h LEU 43 CO -0.56 0.00 -0.24 0.03 0.09 0.00 0.00 178.44 177.76 1kn0 h ARG 44 N 0.00 0.61 -6.06 1.13 3.08 -1.20 0.19 114.38 112.13 1kn0 h ARG 44 Ca 0.04 -0.24 -0.58 0.00 0.07 0.00 0.00 59.98 59.27 1kn0 h ARG 44 Cb 0.26 -0.03 0.20 0.00 0.08 0.00 0.00 29.97 30.48 1kn0 h ARG 44 CO -0.00 0.80 -1.34 1.04 -1.07 0.00 0.00 179.97 179.40 1kn0 n GLN 45 N -4.11 0.02 -4.16 0.04 6.02 -0.59 -4.50 117.38 110.10 1kn0 n GLN 45 Ca -0.00 0.01 -0.31 0.00 -0.01 0.00 0.00 57.00 56.69 1kn0 n GLN 45 Cb 0.42 -1.07 -0.08 0.00 1.02 0.00 0.00 30.24 30.53 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 -1.51 2.61 0.27 -1.09 0.52 -1.26 -1.84 118.95 116.65 1kn0 s ARG 46 Ca 0.52 -0.79 -0.29 0.00 -0.52 0.00 0.00 55.73 54.65 1kn0 s ARG 46 Cb -0.37 -2.57 -0.09 0.00 0.52 0.00 0.00 34.95 32.43 1kn0 s ARG 46 CO 0.71 0.56 1.06 -0.51 0.02 0.00 0.00 175.30 177.14 1kn0 s LEU 47 N -2.15 4.56 1.02 2.53 2.01 -1.26 -4.96 118.68 120.43 1kn0 s LEU 47 Ca 0.25 2.19 -0.15 0.00 0.01 0.00 0.00 54.13 56.43 1kn0 s LEU 47 Cb -0.12 -3.64 0.20 0.00 0.01 0.00 0.00 46.19 42.64 1kn0 s LEU 47 CO 0.17 -0.08 1.16 -0.83 1.01 0.00 0.00 176.35 177.77 1kn0 s GLY 48 N -0.97 1.61 0.00 -3.19 0.00 -1.26 -4.90 107.32 98.62 1kn0 s GLY 48 Ca 0.44 -0.75 0.14 0.00 0.00 0.00 0.00 44.72 44.55 1kn0 s GLY 48 CO 0.39 -0.05 1.38 -1.05 0.00 0.00 0.00 173.10 173.77 1kn0 n PRO 49 N -4.11 0.14 0.08 2.90 -0.02 -1.26 -2.11 135.00 130.62 1kn0 n PRO 49 Ca 0.10 0.19 0.12 0.00 -2.02 0.00 0.00 63.50 61.88 1kn0 n PRO 49 Cb 0.59 -1.50 0.45 0.00 -0.02 0.00 0.00 33.50 33.02 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 -1.34 0.15 -0.10 -0.52 4.71 -1.26 -3.42 120.64 118.86 1kn0 n GLU 50 Ca 0.06 0.27 -0.10 0.00 -0.01 0.00 0.00 57.16 57.37 1kn0 n GLU 50 Cb 0.12 -1.73 -0.15 0.00 -1.01 0.00 0.00 31.44 28.67 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 -2.00 0.00 -2.08 -0.32 4.02 -0.90 -5.01 117.16 110.88 1kn0 n TYR 51 Ca 0.04 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.61 1kn0 n TYR 51 Cb 0.29 -0.98 0.00 0.00 -0.02 0.00 0.00 39.34 38.64 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 -2.48 4.05 0.34 -0.72 -1.09 -1.22 -4.33 121.20 115.76 1kn0 s ILE 52 Ca -0.11 0.93 0.02 0.00 -2.23 0.00 0.00 60.65 59.26 1kn0 s ILE 52 Cb 0.06 -3.49 -0.01 0.00 -1.58 0.00 0.00 42.46 37.44 1kn0 s ILE 52 CO 0.80 -0.62 0.40 -1.20 -1.23 0.00 0.00 174.94 173.09 1kn0 n SER 53 N -2.07 -1.07 -3.63 3.58 7.64 0.06 -4.97 113.62 113.16 1kn0 n SER 53 Ca 0.08 -3.02 -0.14 0.00 1.01 0.00 0.00 58.87 56.80 1kn0 n SER 53 Cb 0.53 2.16 -0.06 0.00 -1.01 0.00 0.00 64.21 65.83 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 -3.24 -0.37 0.16 6.43 1.04 -1.26 -1.93 113.70 114.54 1kn0 s SER 54 Ca 0.34 0.16 0.03 0.00 0.48 0.00 0.00 55.95 56.96 1kn0 s SER 54 Cb 0.00 0.45 -0.05 0.00 0.10 0.00 0.00 66.02 66.52 1kn0 s SER 54 CO 0.24 -0.65 -0.03 -0.13 0.98 0.00 0.00 173.24 173.65 1kn0 s ARG 55 N -2.15 1.09 -0.50 4.02 0.52 -0.50 -4.96 118.95 116.47 1kn0 s ARG 55 Ca -0.07 -1.51 -0.16 0.00 -0.52 0.00 0.00 55.73 53.47 1kn0 s ARG 55 Cb -0.01 -0.40 0.09 0.00 0.52 0.00 0.00 34.95 35.15 1kn0 s ARG 55 CO 0.00 -0.06 0.45 1.41 0.02 0.00 0.00 175.30 177.12 1kn0 s MET 56 N -3.85 2.99 0.19 3.54 1.75 -1.26 -1.00 119.30 121.65 1kn0 s MET 56 Ca 0.21 -1.44 -0.33 0.00 -1.25 0.00 0.00 55.69 52.88 1kn0 s MET 56 Cb 0.05 -4.19 -0.14 0.00 2.84 0.00 0.00 34.83 33.39 1kn0 s MET 56 CO 0.03 -1.15 1.39 0.00 -0.65 0.00 0.00 175.02 174.64 1kn0 n ALA 57 N 5.29 0.54 -1.54 4.11 0.00 -0.26 -4.73 120.51 123.92 1kn0 n ALA 57 Ca -0.13 0.44 -0.32 0.00 0.00 0.00 0.00 53.44 53.44 1kn0 n ALA 57 Cb 0.43 -2.22 -0.08 0.00 0.00 0.00 0.00 19.45 17.58 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 2.49 -0.07 2.36 0.00 0.00 -1.26 -0.92 105.19 107.79 1kn0 n GLY 58 Ca 0.14 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 6.22 2.33 0.21 -0.02 0.00 -1.26 -4.98 105.19 107.69 1kn0 n GLY 59 Ca 0.47 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.90 0.00 -0.02 0.00 -0.09 -5.09 105.19 98.09 1kn0 n GLY 60 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.47 2.69 -2.89 1.61 3.00 -1.26 -4.24 117.38 114.82 1kn0 n GLN 61 Ca 0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 1kn0 n GLN 61 Cb 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.23 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 1.04 4.26 -0.23 -1.09 2.20 -1.26 -1.11 119.74 123.55 1kn0 s LYS 62 Ca 0.00 0.99 -0.08 0.00 -0.36 0.00 0.00 55.97 56.52 1kn0 s LYS 62 Cb 0.00 -3.59 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 1kn0 s LYS 62 CO 0.00 -0.38 0.08 0.08 -0.36 0.00 0.00 175.35 174.76 1kn0 s VAL 63 N 2.34 4.49 0.15 4.02 1.01 -0.18 -4.94 120.40 127.30 1kn0 s VAL 63 Ca 0.37 -0.12 -0.17 0.00 0.00 0.00 0.00 61.98 62.06 1kn0 s VAL 63 Cb -0.16 -3.08 -0.07 0.00 0.00 0.00 0.00 36.38 33.06 1kn0 s VAL 63 CO 0.11 0.36 0.61 0.00 0.00 0.00 0.00 175.10 176.18 1kn0 s TYR 65 N -1.40 -0.32 -0.15 0.00 -0.85 -0.81 -4.96 117.35 108.86 1kn0 s TYR 65 Ca 0.37 -0.03 -0.03 0.00 -0.52 0.00 0.00 57.07 56.86 1kn0 s TYR 65 Cb -0.17 0.63 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 1kn0 s TYR 65 CO 0.20 -1.07 -0.04 0.42 -1.52 0.00 0.00 175.55 173.54 1kn0 s ILE 66 N -3.85 3.86 0.63 -3.49 1.01 -1.26 -0.76 121.20 117.33 1kn0 s ILE 66 Ca 0.07 -0.37 -0.18 0.00 0.00 0.00 0.00 60.65 60.17 1kn0 s ILE 66 Cb -0.04 -2.68 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 1kn0 s ILE 66 CO -0.01 0.50 1.21 -1.61 0.00 0.00 0.00 174.94 175.02 1kn0 s GLU 67 N 0.33 2.75 0.09 2.79 2.02 -1.26 -4.88 118.70 120.54 1kn0 s GLU 67 Ca -0.04 1.81 -0.34 0.00 0.02 0.00 0.00 54.97 56.42 1kn0 s GLU 67 Cb -0.14 -1.90 -0.15 0.00 0.10 0.00 0.00 34.13 32.04 1kn0 s GLU 67 CO 0.03 -1.37 1.58 0.78 0.02 0.00 0.00 175.26 176.30 1kn0 h GLY 68 N 0.56 -1.08 0.94 -1.39 0.00 -1.98 -2.13 103.07 97.99 1kn0 h GLY 68 Ca -0.50 0.54 0.07 0.00 0.00 0.00 0.00 47.33 47.44 1kn0 h GLY 68 CO 0.54 -0.33 0.46 1.12 0.00 0.00 0.00 176.54 178.33 1kn0 h HIS 69 N -0.87 0.00 0.12 5.60 2.07 -2.00 -0.48 115.15 119.59 1kn0 h HIS 69 Ca -0.03 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.48 1kn0 h HIS 69 Cb 0.79 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.77 1kn0 h HIS 69 CO -0.28 0.00 -0.06 0.00 -3.07 0.00 0.00 177.93 174.52 1kn0 h ARG 70 N 0.00 -0.15 -0.87 5.12 2.47 -1.76 -2.14 114.38 117.05 1kn0 h ARG 70 Ca 0.11 0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.92 1kn0 h ARG 70 Cb 1.04 0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 29.33 1kn0 h ARG 70 CO -0.00 0.33 0.54 0.28 0.56 0.00 0.00 179.97 181.67 1kn0 h VAL 71 N -0.77 1.00 0.67 2.04 2.07 -1.00 0.30 116.25 120.57 1kn0 h VAL 71 Ca -0.02 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1kn0 h VAL 71 Cb 0.55 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1kn0 h VAL 71 CO 0.03 0.17 -0.39 0.40 0.02 0.00 0.00 177.57 177.80 1kn0 h ILE 72 N 0.94 0.21 -0.65 4.57 2.04 -1.33 -1.00 117.51 122.28 1kn0 h ILE 72 Ca 0.40 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.30 1kn0 h ILE 72 Cb 0.25 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 1kn0 h ILE 72 CO -0.20 0.00 0.43 0.78 0.00 0.00 0.00 178.15 179.16 1kn0 h ASN 73 N -0.99 0.63 -0.37 1.72 2.35 -0.90 0.15 115.58 118.17 1kn0 h ASN 73 Ca -0.09 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1kn0 h ASN 73 Cb 0.79 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 1kn0 h ASN 73 CO 0.10 0.42 0.20 -0.07 -1.65 0.00 0.00 177.43 176.43 1kn0 h LEU 74 N 0.72 0.31 -0.39 1.61 3.38 -0.06 -2.24 115.31 118.65 1kn0 h LEU 74 Ca 0.27 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.18 1kn0 h LEU 74 Cb 0.16 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1kn0 h LEU 74 CO -0.08 0.23 -0.02 0.00 0.09 0.00 0.00 178.44 178.66 1kn0 h ALA 75 N 1.18 0.52 -0.03 1.53 0.00 0.10 -0.73 119.26 121.83 1kn0 h ALA 75 Ca 0.15 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1kn0 h ALA 75 Cb 0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1kn0 h ALA 75 CO -0.09 0.31 0.02 -0.91 0.00 0.00 0.00 179.25 178.59 1kn0 h ASN 76 N 0.51 0.00 0.00 0.00 2.35 -0.87 0.17 115.58 117.75 1kn0 h ASN 76 Ca 0.11 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 1kn0 h ASN 76 Cb 0.50 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1kn0 h ASN 76 CO 0.02 0.00 -0.34 -0.33 -1.65 0.00 0.00 177.43 175.14 1kn0 h GLU 77 N 0.00 0.01 -0.91 0.81 4.39 -1.05 0.88 114.58 118.70 1kn0 h GLU 77 Ca 0.01 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.73 1kn0 h GLU 77 Cb 0.06 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.66 1kn0 h GLU 77 CO -0.00 1.01 0.60 0.52 -1.16 0.00 0.00 179.01 179.97 1kn0 h MET 78 N -0.98 1.11 0.00 2.33 2.86 -0.90 -3.33 114.93 116.01 1kn0 h MET 78 Ca -0.09 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1kn0 h MET 78 Cb 1.09 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.50 1kn0 h MET 78 CO -0.05 0.73 -1.22 1.19 1.06 0.00 0.00 176.91 178.62 1kn0 n PHE 79 N -4.44 0.00 0.00 -0.22 3.01 0.03 -4.94 117.46 110.90 1kn0 n PHE 79 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.58 1kn0 n PHE 79 Cb 0.10 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 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 2.21 2.33 0.36 1.37 0.00 0.30 -3.63 105.19 108.13 1kn0 n GLY 80 Ca -0.01 -1.66 0.19 0.00 0.00 0.00 0.00 46.02 44.53 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 0.03 116.97 116.55 1kn0 h TYR 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1kn0 h TYR 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 1kn0 h TYR 81 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 178.16 178.43 1kn0 n ASN 82 N -3.59 3.29 -0.32 0.10 6.94 -1.26 -4.56 115.26 115.85 1kn0 n ASN 82 Ca 0.04 -2.97 0.09 0.00 -0.02 0.00 0.00 54.58 51.73 1kn0 n ASN 82 Cb 0.49 -0.48 -0.03 0.00 -2.36 0.00 0.00 39.78 37.41 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 -0.76 -0.17 3.11 4.83 0.00 -0.00 -4.75 105.19 107.44 1kn0 n GLY 83 Ca 0.19 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.29 0.22 0.11 1.61 1.48 -1.26 -1.12 118.94 117.70 1kn0 s TRP 84 Ca 0.14 -0.54 -0.15 0.00 -1.06 0.00 0.00 56.10 54.49 1kn0 s TRP 84 Cb 0.15 -0.16 0.03 0.00 -1.16 0.00 0.00 33.47 32.33 1kn0 s TRP 84 CO 0.54 -0.36 0.37 0.00 -4.06 0.00 0.00 176.95 173.44 1kn0 s ALA 85 N -2.62 -0.82 0.01 2.67 0.00 0.14 -4.97 121.76 116.18 1kn0 s ALA 85 Ca -0.05 -0.12 -0.08 0.00 0.00 0.00 0.00 51.96 51.72 1kn0 s ALA 85 Cb -0.01 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.75 1kn0 s ALA 85 CO -0.05 -0.61 0.15 -3.38 0.00 0.00 0.00 175.76 171.87 1kn0 s HIS 86 N -3.73 0.06 0.06 0.00 -3.43 -1.26 0.74 115.29 107.73 1kn0 s HIS 86 Ca 0.03 -0.19 -0.01 0.00 -0.80 0.00 0.00 55.06 54.09 1kn0 s HIS 86 Cb 0.02 -0.05 -0.04 0.00 -1.43 0.00 0.00 32.58 31.08 1kn0 s HIS 86 CO -0.11 -0.33 -0.03 -1.54 -2.00 0.00 0.00 174.74 170.73 1kn0 s SER 87 N -1.60 0.59 -0.46 7.38 1.04 -0.25 -4.97 113.70 115.42 1kn0 s SER 87 Ca -0.12 -1.01 -0.15 0.00 0.48 0.00 0.00 55.95 55.15 1kn0 s SER 87 Cb -0.06 0.19 0.07 0.00 0.10 0.00 0.00 66.02 66.32 1kn0 s SER 87 CO 0.00 -0.59 0.37 -0.63 0.98 0.00 0.00 173.24 173.37 1kn0 s ILE 88 N -3.88 5.11 0.11 -1.02 1.01 -1.26 -1.15 121.20 120.12 1kn0 s ILE 88 Ca 0.09 -1.07 -0.16 0.00 0.00 0.00 0.00 60.65 59.50 1kn0 s ILE 88 Cb 0.08 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 1kn0 s ILE 88 CO -0.08 -0.55 1.57 0.74 0.00 0.00 0.00 174.94 176.62 1kn0 h THR 89 N 5.79 1.25 -1.67 2.92 2.02 -1.03 -3.46 112.91 118.72 1kn0 h THR 89 Ca -0.28 -0.91 0.04 0.00 0.77 0.00 0.00 66.41 66.04 1kn0 h THR 89 Cb 1.11 1.17 -0.24 0.00 -1.74 0.00 0.00 68.15 68.45 1kn0 h THR 89 CO 0.85 0.30 0.43 -1.58 0.37 0.00 0.00 175.52 175.89 1kn0 s GLN 90 N -5.07 0.64 -0.08 6.66 0.74 -1.17 -4.98 119.66 116.39 1kn0 s GLN 90 Ca -0.13 0.40 -0.01 0.00 0.05 0.00 0.00 55.36 55.67 1kn0 s GLN 90 Cb 0.09 0.31 0.03 0.00 1.10 0.00 0.00 33.01 34.53 1kn0 s GLN 90 CO 0.77 -0.15 -0.03 -1.14 -0.55 0.00 0.00 175.29 174.19 1kn0 s GLN 91 N -0.49 0.92 -0.10 1.67 0.74 -1.26 0.59 119.66 121.73 1kn0 s GLN 91 Ca -0.01 -0.02 0.04 0.00 0.05 0.00 0.00 55.36 55.42 1kn0 s GLN 91 Cb -0.02 -1.17 -0.00 0.00 1.10 0.00 0.00 33.01 32.91 1kn0 s GLN 91 CO -0.00 -0.28 -0.23 1.21 -0.55 0.00 0.00 175.29 175.44 1kn0 s ASN 92 N 1.85 3.19 -0.51 6.67 2.47 -0.39 -5.00 114.94 123.22 1kn0 s ASN 92 Ca 0.04 -0.53 -0.28 0.00 0.42 0.00 0.00 52.86 52.52 1kn0 s ASN 92 Cb -0.12 -1.36 0.03 0.00 -1.45 0.00 0.00 41.25 38.34 1kn0 s ASN 92 CO -0.06 0.17 1.11 -0.69 -3.72 0.00 0.00 177.10 173.92 1kn0 s VAL 93 N 0.28 4.19 0.13 -5.21 1.01 -1.26 -1.58 120.40 117.95 1kn0 s VAL 93 Ca -0.16 1.00 -0.16 0.00 0.00 0.00 0.00 61.98 62.67 1kn0 s VAL 93 Cb -0.17 -4.62 -0.01 0.00 0.00 0.00 0.00 36.38 31.58 1kn0 s VAL 93 CO 0.08 -1.10 1.63 0.44 0.00 0.00 0.00 175.10 176.15 1kn0 h ASP 94 N 9.31 0.60 -4.76 3.32 3.32 -0.54 -3.47 116.42 124.20 1kn0 h ASP 94 Ca -0.24 -0.23 0.09 0.00 0.02 0.00 0.00 57.03 56.67 1kn0 h ASP 94 Cb 1.06 -0.16 -0.14 0.00 0.22 0.00 0.00 39.33 40.31 1kn0 h ASP 94 CO 1.13 0.67 0.44 0.72 -1.72 0.00 0.00 179.24 180.49 1kn0 s PHE 95 N -5.30 -0.36 -0.35 4.55 -0.12 -1.03 -4.97 117.98 110.39 1kn0 s PHE 95 Ca -0.13 0.19 0.01 0.00 -0.05 0.00 0.00 56.93 56.95 1kn0 s PHE 95 Cb 0.10 0.55 0.14 0.00 -0.63 0.00 0.00 43.02 43.18 1kn0 s PHE 95 CO 0.77 -0.63 0.27 0.08 -0.05 0.00 0.00 175.22 175.66 1kn0 s VAL 96 N -3.25 -0.08 -0.01 -2.49 1.01 -1.26 -2.08 120.40 112.23 1kn0 s VAL 96 Ca 0.05 -1.32 -0.04 0.00 0.00 0.00 0.00 61.98 60.66 1kn0 s VAL 96 Cb -0.01 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1kn0 s VAL 96 CO -0.09 -0.80 0.21 -1.81 0.00 0.00 0.00 175.10 172.62 1kn0 s ASP 97 N 1.33 6.41 -0.29 3.32 1.01 -0.36 -4.94 116.67 123.15 1kn0 s ASP 97 Ca 0.17 0.43 -0.00 0.00 0.71 0.00 0.00 52.55 53.86 1kn0 s ASP 97 Cb -0.19 -2.04 0.05 0.00 1.01 0.00 0.00 42.92 41.75 1kn0 s ASP 97 CO -0.04 0.27 -0.03 -0.22 0.21 0.00 0.00 175.17 175.36 1kn0 s LEU 98 N -1.79 3.77 -0.35 1.23 2.96 -1.26 -0.63 118.68 122.61 1kn0 s LEU 98 Ca 0.26 -1.31 -0.01 0.00 -0.22 0.00 0.00 54.13 52.86 1kn0 s LEU 98 Cb -0.13 -1.67 0.08 0.00 0.50 0.00 0.00 46.19 44.98 1kn0 s LEU 98 CO 0.16 -0.24 0.09 0.20 -1.32 0.00 0.00 176.35 175.24 1kn0 s ASN 99 N 1.21 5.00 -0.58 3.68 0.01 -0.37 -4.85 114.94 119.03 1kn0 s ASN 99 Ca -0.06 -1.76 -0.23 0.00 -0.71 0.00 0.00 52.86 50.10 1kn0 s ASN 99 Cb -0.20 -1.74 0.03 0.00 0.41 0.00 0.00 41.25 39.76 1kn0 s ASN 99 CO -0.02 -0.40 0.64 -0.46 -1.51 0.00 0.00 177.10 175.36 1kn0 n ASN 100 N 4.53 -5.63 0.00 -1.22 6.94 -1.26 -2.06 115.26 116.57 1kn0 n ASN 100 Ca -0.05 -0.35 0.00 0.00 -0.02 0.00 0.00 54.58 54.15 1kn0 n ASN 100 Cb 0.42 -2.18 0.00 0.00 -2.36 0.00 0.00 39.78 35.67 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 -0.74 0.42 3.63 4.83 0.00 -1.26 -4.95 105.19 107.12 1kn0 n GLY 101 Ca -0.14 0.00 -0.34 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 -0.37 2.77 -0.12 1.61 1.02 -0.87 -4.33 119.74 119.45 1kn0 s LYS 102 Ca 0.00 -0.56 -0.05 0.00 0.02 0.00 0.00 55.97 55.38 1kn0 s LYS 102 Cb 0.00 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 34.64 1kn0 s LYS 102 CO 0.00 0.65 0.06 -0.06 -0.92 0.00 0.00 175.35 175.08 1kn0 s PHE 103 N -0.91 3.32 -0.29 3.18 0.40 -0.06 -1.24 117.98 122.37 1kn0 s PHE 103 Ca 0.15 0.27 0.03 0.00 -0.60 0.00 0.00 56.93 56.78 1kn0 s PHE 103 Cb -0.11 -1.90 0.08 0.00 0.51 0.00 0.00 43.02 41.60 1kn0 s PHE 103 CO 0.04 0.48 -0.04 0.71 0.70 0.00 0.00 175.22 177.11 1kn0 s TYR 104 N -0.65 3.45 -0.04 0.36 1.51 0.20 -3.62 117.35 118.56 1kn0 s TYR 104 Ca 0.11 -2.59 0.06 0.00 -1.01 0.00 0.00 57.07 53.64 1kn0 s TYR 104 Cb -0.12 -2.33 -0.02 0.00 -0.11 0.00 0.00 41.96 39.39 1kn0 s TYR 104 CO 0.02 -0.91 -0.22 0.08 -1.11 0.00 0.00 175.55 173.41 1kn0 s VAL 105 N 1.03 2.34 -0.12 0.71 1.01 0.14 -1.23 120.40 124.28 1kn0 s VAL 105 Ca -0.01 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1kn0 s VAL 105 Cb -0.20 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1kn0 s VAL 105 CO -0.06 0.58 -0.11 -0.83 0.00 0.00 0.00 175.10 174.68 1kn0 s GLY 106 N -0.50 0.93 0.01 4.51 0.00 -0.88 -2.14 107.32 109.24 1kn0 s GLY 106 Ca 0.06 -0.65 0.04 0.00 0.00 0.00 0.00 44.72 44.18 1kn0 s GLY 106 CO 0.01 0.59 -0.12 0.14 0.00 0.00 0.00 173.10 173.71 1kn0 s VAL 107 N 1.44 0.95 0.16 1.40 1.01 -0.27 0.27 120.40 125.37 1kn0 s VAL 107 Ca 0.01 -0.68 0.11 0.00 0.00 0.00 0.00 61.98 61.43 1kn0 s VAL 107 Cb -0.13 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1kn0 s VAL 107 CO -0.07 0.15 -0.24 0.00 0.00 0.00 0.00 175.10 174.94 1kn0 s ALA 109 N -1.48 0.05 -0.26 0.00 0.00 -0.50 -1.26 121.76 118.31 1kn0 s ALA 109 Ca 0.17 -0.16 -0.06 0.00 0.00 0.00 0.00 51.96 51.91 1kn0 s ALA 109 Cb -0.09 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 1kn0 s ALA 109 CO 0.08 -0.03 0.03 -0.06 0.00 0.00 0.00 175.76 175.78 1kn0 s PHE 110 N -0.38 3.07 -0.07 0.00 0.40 0.20 0.33 117.98 121.54 1kn0 s PHE 110 Ca -0.04 -0.84 0.03 0.00 -0.60 0.00 0.00 56.93 55.48 1kn0 s PHE 110 Cb -0.03 -2.19 -0.02 0.00 0.51 0.00 0.00 43.02 41.29 1kn0 s PHE 110 CO -0.00 -0.51 -0.15 0.08 0.70 0.00 0.00 175.22 175.34 1kn0 s VAL 111 N 1.52 3.01 -0.13 -0.44 1.01 -0.49 -0.32 120.40 124.56 1kn0 s VAL 111 Ca 0.05 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1kn0 s VAL 111 Cb -0.16 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.04 1kn0 s VAL 111 CO 0.01 0.58 -0.20 -0.60 0.00 0.00 0.00 175.10 174.88 1kn0 s ARG 112 N -0.48 2.82 -0.06 2.72 3.52 -0.30 -1.17 118.95 126.01 1kn0 s ARG 112 Ca 0.06 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 54.88 1kn0 s ARG 112 Cb -0.12 -2.30 -0.03 0.00 -1.56 0.00 0.00 34.95 30.94 1kn0 s ARG 112 CO 0.02 -0.03 -0.03 0.08 -0.81 0.00 0.00 175.30 174.53 1kn0 s VAL 113 N 0.87 4.00 0.02 7.11 1.01 0.53 -1.09 120.40 132.84 1kn0 s VAL 113 Ca -0.07 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1kn0 s VAL 113 Cb -0.15 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 1kn0 s VAL 113 CO -0.02 0.55 -0.07 -1.58 0.00 0.00 0.00 175.10 173.98 1kn0 s GLN 114 N -1.01 0.49 0.32 2.72 0.74 0.23 -1.59 119.66 121.55 1kn0 s GLN 114 Ca 0.14 -0.44 0.05 0.00 0.05 0.00 0.00 55.36 55.16 1kn0 s GLN 114 Cb -0.11 -0.38 -0.02 0.00 1.10 0.00 0.00 33.01 33.60 1kn0 s GLN 114 CO 0.04 0.09 0.47 -0.51 -0.55 0.00 0.00 175.29 174.83 1kn0 s LEU 115 N -0.76 4.03 0.41 3.68 1.43 0.58 0.26 118.68 128.30 1kn0 s LEU 115 Ca -0.03 0.02 0.22 0.00 -1.03 0.00 0.00 54.13 53.32 1kn0 s LEU 115 Cb -0.06 -2.90 1.22 0.00 0.03 0.00 0.00 46.19 44.48 1kn0 s LEU 115 CO 0.00 -0.35 1.65 0.07 0.23 0.00 0.00 176.35 177.95 1kn0 h LYS 116 N 0.89 0.00 -0.02 1.70 2.10 -1.42 -1.86 116.57 117.96 1kn0 h LYS 116 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1kn0 h LYS 116 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1kn0 h LYS 116 CO 0.57 0.00 -0.09 -0.40 -2.00 0.00 0.00 179.45 177.53 1kn0 n ASP 117 N -2.36 1.88 0.00 7.07 5.75 -1.22 -0.29 116.55 127.37 1kn0 n ASP 117 Ca -0.01 -1.54 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 1kn0 n ASP 117 Cb 0.18 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 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 1.27 2.81 3.68 6.12 0.00 -0.70 -4.73 105.19 113.64 1kn0 n GLY 118 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 2.67 -3.66 1.61 2.88 -1.26 -4.76 113.62 111.10 1kn0 n SER 119 Ca 0.00 1.18 -0.12 0.00 -1.33 0.00 0.00 58.87 58.60 1kn0 n SER 119 Cb 0.00 -1.45 -0.06 0.00 -0.75 0.00 0.00 64.21 61.95 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 -0.76 -0.25 -0.06 0.66 -0.85 -1.26 -0.31 117.35 114.52 1kn0 s TYR 120 Ca 0.60 0.13 -0.07 0.00 -0.52 0.00 0.00 57.07 57.21 1kn0 s TYR 120 Cb -0.60 0.23 0.02 0.00 0.38 0.00 0.00 41.96 41.98 1kn0 s TYR 120 CO 0.58 -0.61 0.18 -1.01 -1.52 0.00 0.00 175.55 173.18 1kn0 s HIS 121 N -2.85 -0.18 0.00 -3.49 3.76 -0.62 -5.00 115.29 106.91 1kn0 s HIS 121 Ca -0.03 0.45 0.04 0.00 -0.15 0.00 0.00 55.06 55.36 1kn0 s HIS 121 Cb -0.00 0.06 -0.01 0.00 1.11 0.00 0.00 32.58 33.74 1kn0 s HIS 121 CO -0.05 -0.12 -0.12 -2.00 -0.85 0.00 0.00 174.74 171.60 1kn0 s GLU 122 N -0.04 0.92 0.34 1.40 2.12 -1.26 -0.35 118.70 121.83 1kn0 s GLU 122 Ca -0.01 -0.50 0.02 0.00 0.36 0.00 0.00 54.97 54.84 1kn0 s GLU 122 Cb -0.02 -0.89 -0.01 0.00 0.26 0.00 0.00 34.13 33.47 1kn0 s GLU 122 CO 0.00 0.24 0.40 0.34 -0.54 0.00 0.00 175.26 175.70 1kn0 s ASP 123 N -0.50 1.26 -0.05 -1.70 -1.08 -0.32 -4.91 116.67 109.37 1kn0 s ASP 123 Ca 0.03 -1.61 -0.02 0.00 -0.52 0.00 0.00 52.55 50.44 1kn0 s ASP 123 Cb -0.05 0.62 -0.04 0.00 -1.46 0.00 0.00 42.92 41.99 1kn0 s ASP 123 CO -0.00 -1.21 0.04 -0.69 0.52 0.00 0.00 175.17 173.83 1kn0 s VAL 124 N -3.18 4.55 0.29 1.11 1.01 -1.26 -1.39 120.40 121.52 1kn0 s VAL 124 Ca 0.35 -0.29 0.11 0.00 0.00 0.00 0.00 61.98 62.15 1kn0 s VAL 124 Cb 0.01 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 1kn0 s VAL 124 CO 0.24 0.50 -0.17 -0.83 0.00 0.00 0.00 175.10 174.84 1kn0 s GLY 125 N -1.24 1.92 -0.01 4.51 0.00 0.15 -4.50 107.32 108.15 1kn0 s GLY 125 Ca 0.17 -1.91 0.01 0.00 0.00 0.00 0.00 44.72 42.98 1kn0 s GLY 125 CO 0.07 -1.96 -0.02 -0.47 0.00 0.00 0.00 173.10 170.72 1kn0 s TYR 126 N -2.59 0.22 0.01 1.90 5.04 -1.25 -1.42 117.35 119.27 1kn0 s TYR 126 Ca 0.30 -0.02 0.08 0.00 -2.44 0.00 0.00 57.07 54.99 1kn0 s TYR 126 Cb -0.03 -0.20 -0.03 0.00 0.35 0.00 0.00 41.96 42.06 1kn0 s TYR 126 CO 0.15 -0.03 -0.25 0.20 -1.34 0.00 0.00 175.55 174.27 1kn0 s GLY 127 N 0.22 1.37 0.02 8.97 0.00 0.18 -3.94 107.32 114.14 1kn0 s GLY 127 Ca -0.02 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.53 1kn0 s GLY 127 CO -0.01 -1.03 -0.03 0.14 0.00 0.00 0.00 173.10 172.18 1kn0 s VAL 128 N -0.73 0.18 -0.17 1.40 1.01 -1.26 -1.11 120.40 119.71 1kn0 s VAL 128 Ca 0.11 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 1kn0 s VAL 128 Cb -0.10 -0.25 0.09 0.00 0.00 0.00 0.00 36.38 36.11 1kn0 s VAL 128 CO 0.01 -0.29 0.32 -0.55 0.00 0.00 0.00 175.10 174.59 1kn0 s SER 129 N -0.95 0.26 0.00 3.32 0.15 -0.91 -4.46 113.70 111.11 1kn0 s SER 129 Ca -0.09 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.13 1kn0 s SER 129 Cb -0.07 0.92 0.00 0.00 -1.71 0.00 0.00 66.02 65.16 1kn0 s SER 129 CO -0.00 -0.25 0.13 -0.62 1.20 0.00 0.00 173.24 173.69 1kn0 n GLU 130 N 5.36 4.25 -0.01 5.44 1.02 -1.26 0.26 120.64 135.70 1kn0 n GLU 130 Ca -0.06 -0.13 -0.01 0.00 -0.02 0.00 0.00 57.16 56.93 1kn0 n GLU 130 Cb 0.50 -0.60 -0.00 0.00 -0.02 0.00 0.00 31.44 31.31 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 0.64 -0.47 0.00 0.62 0.00 -1.24 -4.52 105.19 100.23 1kn0 n GLY 131 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.80 0.00 0.05 0.99 4.77 -1.26 -3.61 117.00 115.14 1kn0 n LEU 132 Ca -0.02 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.07 1kn0 n LEU 132 Cb 0.08 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 1kn0 n LEU 132 CO 0.03 0.00 -0.36 0.29 -1.33 0.00 0.00 177.39 176.03 1kn0 n LYS 133 N 0.00 0.63 -3.04 3.23 5.02 -1.26 -0.88 118.16 121.86 1kn0 n LYS 133 Ca 0.00 -0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 55.86 1kn0 n LYS 133 Cb 0.00 -1.68 -0.05 0.00 -0.02 0.00 0.00 35.03 33.28 1kn0 n LYS 133 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1kn0 s SER 134 N -4.97 6.83 0.01 4.39 0.15 -1.26 -4.78 113.70 114.06 1kn0 s SER 134 Ca -0.04 1.01 -0.25 0.00 0.70 0.00 0.00 55.95 57.37 1kn0 s SER 134 Cb 0.12 -2.39 -0.19 0.00 -1.71 0.00 0.00 66.02 61.85 1kn0 s SER 134 CO 0.85 -0.27 1.38 0.50 1.20 0.00 0.00 173.24 176.89 1kn0 h LYS 135 N 7.27 0.02 -0.13 5.44 3.64 -1.97 -1.93 116.57 128.91 1kn0 h LYS 135 Ca -0.33 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.09 1kn0 h LYS 135 Cb 1.15 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.91 1kn0 h LYS 135 CO 0.79 0.39 -0.37 0.00 -2.27 0.00 0.00 179.45 177.99 1kn0 h ALA 136 N 0.62 -0.48 -0.22 5.00 0.00 -2.00 -0.47 119.26 121.71 1kn0 h ALA 136 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1kn0 h ALA 136 Cb 0.38 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1kn0 h ALA 136 CO 0.00 -0.86 0.15 -0.07 0.00 0.00 0.00 179.25 178.47 1kn0 h LEU 137 N -0.45 0.26 -0.36 0.00 4.07 -1.97 -0.72 115.31 116.13 1kn0 h LEU 137 Ca 0.09 -0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.97 1kn0 h LEU 137 Cb 0.59 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 1kn0 h LEU 137 CO -0.37 0.19 -0.04 0.28 -1.08 0.00 0.00 178.44 177.42 1kn0 h SER 138 N 0.30 0.66 0.06 -0.43 0.02 -0.30 -2.20 113.55 111.67 1kn0 h SER 138 Ca 0.08 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1kn0 h SER 138 Cb -0.03 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.33 1kn0 h SER 138 CO -0.02 0.84 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.41 1kn0 h LEU 139 N 0.47 -0.07 -0.70 5.07 3.38 -0.73 -1.98 115.31 120.75 1kn0 h LEU 139 Ca 0.10 -0.26 0.15 0.00 0.09 0.00 0.00 57.88 57.96 1kn0 h LEU 139 Cb 0.52 0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.17 1kn0 h LEU 139 CO 0.03 0.23 0.05 -0.08 0.09 0.00 0.00 178.44 178.75 1kn0 h GLU 140 N -0.37 0.14 0.40 1.13 4.81 -1.15 0.26 114.58 119.81 1kn0 h GLU 140 Ca -0.01 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1kn0 h GLU 140 Cb 0.33 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1kn0 h GLU 140 CO 0.01 0.09 -0.19 -0.22 -0.73 0.00 0.00 179.01 177.97 1kn0 h LYS 141 N 0.15 -0.52 -0.56 1.92 3.64 -1.28 -1.69 116.57 118.23 1kn0 h LYS 141 Ca 0.38 0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.72 1kn0 h LYS 141 Cb 0.65 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1kn0 h LYS 141 CO -0.58 -0.32 0.05 0.00 -2.27 0.00 0.00 179.45 176.33 1kn0 h ALA 142 N -0.02 0.74 -0.34 5.00 0.00 -0.55 -0.85 119.26 123.25 1kn0 h ALA 142 Ca -0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1kn0 h ALA 142 Cb 0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1kn0 h ALA 142 CO 0.09 0.52 0.05 0.00 0.00 0.00 0.00 179.25 179.92 1kn0 h ARG 143 N 0.83 0.56 -0.39 0.00 3.08 -0.53 -0.31 114.38 117.62 1kn0 h ARG 143 Ca 0.16 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1kn0 h ARG 143 Cb 0.47 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1kn0 h ARG 143 CO 0.02 0.64 0.13 0.87 -1.07 0.00 0.00 179.97 180.56 1kn0 h LYS 144 N 0.39 0.61 -0.56 0.04 1.57 -1.24 -2.87 116.57 114.51 1kn0 h LYS 144 Ca 0.10 -0.13 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1kn0 h LYS 144 Cb 0.36 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1kn0 h LYS 144 CO 0.01 0.61 -0.07 0.93 -0.57 0.00 0.00 179.45 180.35 1kn0 h GLU 145 N 0.49 1.04 -0.78 3.15 5.08 -1.09 -2.53 114.58 119.93 1kn0 h GLU 145 Ca 0.13 -0.37 0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1kn0 h GLU 145 Cb 0.25 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.35 1kn0 h GLU 145 CO -0.00 1.06 0.42 0.00 -1.00 0.00 0.00 179.01 179.48 1kn0 h ALA 146 N 0.95 1.12 0.29 3.43 0.00 -0.94 0.99 119.26 125.10 1kn0 h ALA 146 Ca 0.15 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1kn0 h ALA 146 Cb 0.64 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1kn0 h ALA 146 CO 0.04 0.01 -0.14 0.28 0.00 0.00 0.00 179.25 179.44 1kn0 h VAL 147 N 0.69 0.74 -0.31 0.00 2.07 -1.28 -0.48 116.25 117.68 1kn0 h VAL 147 Ca 0.39 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.48 1kn0 h VAL 147 Cb 0.41 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1kn0 h VAL 147 CO -0.27 0.10 0.08 0.74 0.02 0.00 0.00 177.57 178.23 1kn0 h THR 148 N -0.65 0.87 -0.78 2.57 2.02 -1.10 0.31 112.91 116.15 1kn0 h THR 148 Ca -0.04 -0.07 0.09 0.00 0.77 0.00 0.00 66.41 67.17 1kn0 h THR 148 Cb 0.46 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 67.48 1kn0 h THR 148 CO 0.07 0.04 0.51 -0.78 0.37 0.00 0.00 175.52 175.72 1kn0 h ASP 149 N 0.19 0.65 -0.14 4.18 3.58 -0.79 0.16 116.42 124.26 1kn0 h ASP 149 Ca 0.14 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.57 1kn0 h ASP 149 Cb 0.14 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.07 1kn0 h ASP 149 CO -0.17 0.39 -0.07 1.23 -2.88 0.00 0.00 179.24 177.73 1kn0 h GLY 150 N 0.72 0.32 0.98 -0.78 0.00 0.73 -1.15 103.07 103.88 1kn0 h GLY 150 Ca 0.36 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.41 1kn0 h GLY 150 CO -0.14 0.26 0.44 -2.00 0.00 0.00 0.00 176.54 175.10 1kn0 h LEU 151 N -0.05 0.75 0.12 3.11 5.85 0.53 -1.06 115.31 124.56 1kn0 h LEU 151 Ca 0.03 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1kn0 h LEU 151 Cb 0.55 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1kn0 h LEU 151 CO 0.02 0.54 -0.06 0.11 -0.34 0.00 0.00 178.44 178.71 1kn0 h LYS 152 N 0.89 -0.16 -0.49 1.25 1.57 -0.67 -1.64 116.57 117.33 1kn0 h LYS 152 Ca 0.25 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.09 1kn0 h LYS 152 Cb -0.08 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1kn0 h LYS 152 CO -0.06 -0.04 0.32 0.00 -0.57 0.00 0.00 179.45 179.10 1kn0 h ARG 153 N -0.24 0.45 -0.21 3.15 3.08 -0.97 -1.83 114.38 117.81 1kn0 h ARG 153 Ca -0.02 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 59.85 1kn0 h ARG 153 Cb 0.19 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1kn0 h ARG 153 CO 0.03 0.30 -0.49 0.00 -1.07 0.00 0.00 179.97 178.73 1kn0 h ALA 154 N 1.73 0.34 0.00 0.04 0.00 -0.90 -3.15 119.26 117.33 1kn0 h ALA 154 Ca 0.21 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1kn0 h ALA 154 Cb 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1kn0 h ALA 154 CO -0.05 0.51 -0.21 -0.07 0.00 0.00 0.00 179.25 179.43 1kn0 h LEU 155 N 0.41 0.00 -1.40 0.00 3.38 -0.64 -2.42 115.31 114.65 1kn0 h LEU 155 Ca -0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1kn0 h LEU 155 Cb 1.11 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 1kn0 h LEU 155 CO 0.11 0.21 0.52 0.03 0.09 0.00 0.00 178.44 179.40 1kn0 h ARG 156 N 0.00 0.62 0.00 1.13 3.08 -1.31 -0.92 114.38 116.98 1kn0 h ARG 156 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1kn0 h ARG 156 Cb 0.47 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1kn0 h ARG 156 CO 0.03 0.41 0.13 0.77 -1.07 0.00 0.00 179.97 180.24 1kn0 h SER 157 N 0.64 0.00 1.51 7.04 0.02 -1.54 -1.02 113.55 120.21 1kn0 h SER 157 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1kn0 h SER 157 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1kn0 h SER 157 CO -0.14 0.00 -0.36 -0.26 -1.14 0.00 0.00 176.83 174.92 1kn0 h PHE 158 N 0.00 0.00 0.00 3.45 -1.00 -1.35 -3.50 116.94 114.54 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 0.27 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.83 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 1.18 -1.89 0.26 -1.45 0.00 -0.39 -4.95 105.19 97.96 1kn0 n GLY 159 Ca 0.03 -1.48 -0.10 0.00 0.00 0.00 0.00 46.02 44.47 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 0.89 -0.20 1.61 2.35 -1.44 -1.73 115.58 117.05 1kn0 h ASN 160 Ca 0.00 -0.31 0.06 0.00 -0.55 0.00 0.00 56.30 55.50 1kn0 h ASN 160 Cb 0.00 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 1kn0 h ASN 160 CO 0.00 0.99 0.34 0.00 -1.65 0.00 0.00 177.43 177.11 1kn0 h ALA 161 N 0.93 1.73 -0.33 -0.83 0.00 0.09 0.18 119.26 121.04 1kn0 h ALA 161 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1kn0 h ALA 161 Cb 0.54 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1kn0 h ALA 161 CO 0.03 -0.45 0.00 1.28 0.00 0.00 0.00 179.25 180.11 1kn0 n LEU 162 N -3.41 4.29 0.00 0.00 4.77 -1.13 -4.90 117.00 116.62 1kn0 n LEU 162 Ca 0.02 -3.00 0.00 0.00 -0.03 0.00 0.00 56.01 53.00 1kn0 n LEU 162 Cb 0.46 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1kn0 n LEU 162 CO 0.22 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 1kn0 n GLY 163 N -0.27 0.71 0.10 -0.72 0.00 0.61 -3.81 105.19 101.81 1kn0 n GLY 163 Ca 0.23 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.34 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 0.44 0.13 1.61 5.15 -0.67 -2.33 115.26 119.60 1kn0 n ASN 164 Ca 0.00 0.64 -0.22 0.00 -0.60 0.00 0.00 54.58 54.40 1kn0 n ASN 164 Cb 0.00 -0.72 -0.15 0.00 -0.53 0.00 0.00 39.78 38.38 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 0.12 0.00 0.13 0.00 6.09 -1.79 0.88 117.51 122.95 1kn0 h ILE 166 Ca -0.23 0.00 -0.34 0.00 -1.37 0.00 0.00 64.86 62.92 1kn0 h ILE 166 Cb 2.11 0.05 -0.01 0.00 0.47 0.00 0.00 36.82 39.44 1kn0 h ILE 166 CO 0.25 0.00 -1.80 -0.07 -3.07 0.00 0.00 178.15 173.46 1kn0 h LEU 167 N 0.00 0.44 -9.18 2.19 3.38 -1.76 -3.47 115.31 106.91 1kn0 h LEU 167 Ca 0.09 -0.78 -0.64 0.00 0.09 0.00 0.00 57.88 56.63 1kn0 h LEU 167 Cb 2.07 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 42.69 1kn0 h LEU 167 CO -0.00 1.68 1.10 -0.67 0.09 0.00 0.00 178.44 180.64 1kn0 n ASP 168 N -3.47 3.14 -0.11 -0.43 -0.08 0.30 -4.88 116.55 111.02 1kn0 n ASP 168 Ca -0.25 0.92 -0.11 0.00 -1.51 0.00 0.00 54.79 53.84 1kn0 n ASP 168 Cb 1.06 -1.32 -0.03 0.00 2.34 0.00 0.00 41.12 43.17 1kn0 n ASP 168 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1kn0 h LYS 169 N 9.28 0.55 -0.88 -0.67 1.57 -1.90 -1.93 116.57 122.60 1kn0 h LYS 169 Ca -0.46 -0.17 0.10 0.00 -1.87 0.00 0.00 60.65 58.24 1kn0 h LYS 169 Cb 1.28 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.47 1kn0 h LYS 169 CO 0.96 0.68 0.53 -0.44 -0.57 0.00 0.00 179.45 180.61 1kn0 h ASP 170 N 0.35 0.77 -0.19 0.86 3.32 -1.96 -1.16 116.42 118.41 1kn0 h ASP 170 Ca 0.09 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1kn0 h ASP 170 Cb 0.43 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1kn0 h ASP 170 CO 0.02 0.44 0.12 0.22 -1.72 0.00 0.00 179.24 178.32 1kn0 h TYR 171 N 0.88 0.23 -0.06 4.55 3.20 -1.81 -2.82 116.97 121.14 1kn0 h TYR 171 Ca 0.42 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.33 1kn0 h TYR 171 Cb 0.37 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 1kn0 h TYR 171 CO -0.04 0.14 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.40 1kn0 h LEU 172 N 0.25 -0.46 -0.73 2.82 3.38 -0.45 -2.47 115.31 117.65 1kn0 h LEU 172 Ca 0.07 0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.22 1kn0 h LEU 172 Cb -0.02 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 1kn0 h LEU 172 CO -0.02 -0.20 0.36 0.03 0.09 0.00 0.00 178.44 178.69 1kn0 h ARG 173 N -0.22 0.57 0.00 1.13 3.08 -1.28 0.35 114.38 118.01 1kn0 h ARG 173 Ca 0.07 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1kn0 h ARG 173 Cb 0.32 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1kn0 h ARG 173 CO -0.19 0.38 -0.01 0.77 -1.07 0.00 0.00 179.97 179.85 1kn0 h SER 174 N 0.59 0.00 -0.02 7.04 0.02 -1.20 -2.19 113.55 117.79 1kn0 h SER 174 Ca 0.37 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 61.11 1kn0 h SER 174 Cb 0.43 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.98 1kn0 h SER 174 CO -0.29 0.01 -0.82 -0.07 -1.14 0.00 0.00 176.83 174.52 1kn0 h LEU 175 N 0.00 0.75 -0.66 5.07 3.38 0.13 -3.25 115.31 120.73 1kn0 h LEU 175 Ca -0.00 -0.73 -0.06 0.00 0.09 0.00 0.00 57.88 57.17 1kn0 h LEU 175 Cb 0.07 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1kn0 h LEU 175 CO 0.00 1.38 0.16 0.78 0.09 0.00 0.00 178.44 180.86 1kn0 h ASN 176 N 0.20 0.99 0.00 -0.43 2.35 -1.08 -2.50 115.58 115.11 1kn0 h ASN 176 Ca -0.10 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1kn0 h ASN 176 Cb 1.49 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.60 1kn0 h ASN 176 CO 0.16 0.97 0.00 0.29 -1.65 0.00 0.00 177.43 177.20 1kn0 n LYS 177 N -4.30 0.39 -4.36 0.81 5.02 -0.97 -4.70 118.16 110.04 1kn0 n LYS 177 Ca 0.04 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.13 1kn0 n LYS 177 Cb 0.25 -1.23 -0.10 0.00 -0.02 0.00 0.00 35.03 33.92 1kn0 n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1kn0 s LEU 178 N 0.00 2.53 -0.40 -0.35 1.43 -0.94 -5.04 118.68 115.91 1kn0 s LEU 178 Ca 0.00 -0.98 -0.27 0.00 -1.03 0.00 0.00 54.13 51.85 1kn0 s LEU 178 Cb 0.00 -0.79 -0.05 0.00 0.03 0.00 0.00 46.19 45.39 1kn0 s LEU 178 CO 0.00 -0.10 2.16 -2.84 0.23 0.00 0.00 176.35 175.81 1kn0 s PRO 179 N -3.41 2.70 -1.05 1.29 0.02 -1.26 -4.84 135.00 128.45 1kn0 s PRO 179 Ca 0.22 1.49 -0.26 0.00 0.02 0.00 0.00 61.00 62.46 1kn0 s PRO 179 Cb -0.03 -4.42 -0.20 0.00 0.02 0.00 0.00 34.50 29.87 1kn0 s PRO 179 CO 0.08 -2.60 2.14 0.50 -0.33 0.00 0.00 177.00 176.80 1kn0 s ARG 180 N 7.05 1.35 0.92 5.54 3.00 -1.26 -4.89 118.95 130.65 1kn0 s ARG 180 Ca 0.91 -0.37 -0.11 0.00 -1.00 0.00 0.00 55.73 55.16 1kn0 s ARG 180 Cb -0.22 -4.98 0.12 0.00 0.00 0.00 0.00 34.95 29.87 1kn0 s ARG 180 CO 0.29 -5.23 0.97 0.00 0.00 0.00 0.00 175.30 171.33 1kn0 n GLN 181 N 8.28 -0.38 -3.76 5.12 10.64 -1.26 -5.02 117.38 130.99 1kn0 n GLN 181 Ca 0.42 -0.05 -0.32 0.00 -1.83 0.00 0.00 57.00 55.23 1kn0 n GLN 181 Cb 0.46 -2.26 -0.05 0.00 -0.86 0.00 0.00 30.24 27.54 1kn0 n GLN 181 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1kn0 s LEU 182 N -5.22 4.31 0.15 2.61 2.96 -1.26 -5.03 118.68 117.21 1kn0 s LEU 182 Ca 0.65 0.49 -0.22 0.00 -0.22 0.00 0.00 54.13 54.82 1kn0 s LEU 182 Cb -0.23 -3.10 -0.13 0.00 0.50 0.00 0.00 46.19 43.23 1kn0 s LEU 182 CO 0.60 0.12 0.42 -2.65 -1.32 0.00 0.00 176.35 173.52 1kn0 n PRO 183 N 0.32 0.00 -2.66 0.98 -0.02 -1.26 -4.89 135.00 127.48 1kn0 n PRO 183 Ca -0.05 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.03 1kn0 n PRO 183 Cb 0.52 -0.79 -0.05 0.00 -0.02 0.00 0.00 33.50 33.16 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 2.32 4.54 0.06 2.45 2.01 -1.26 -5.02 118.68 123.80 1kn0 s LEU 184 Ca 0.51 1.95 -0.30 0.00 0.01 0.00 0.00 54.13 56.30 1kn0 s LEU 184 Cb -0.74 -3.60 -0.05 0.00 0.01 0.00 0.00 46.19 41.82 1kn0 s LEU 184 CO 0.44 -0.04 0.97 -0.70 1.01 0.00 0.00 176.35 178.03 1kn0 s GLU 185 N -0.54 4.64 -0.33 1.70 2.12 -1.26 -5.01 118.70 120.01 1kn0 s GLU 185 Ca 0.46 1.44 -0.16 0.00 0.36 0.00 0.00 54.97 57.07 1kn0 s GLU 185 Cb -0.26 -3.41 -0.01 0.00 0.26 0.00 0.00 34.13 30.70 1kn0 s GLU 185 CO 0.33 0.10 0.42 0.08 -0.54 0.00 0.00 175.26 175.65 1kn0 s VAL 186 N 0.44 5.11 -0.85 3.70 1.01 -1.26 -5.03 120.40 123.52 1kn0 s VAL 186 Ca 0.49 0.27 -0.23 0.00 0.00 0.00 0.00 61.98 62.51 1kn0 s VAL 186 Cb -0.22 -3.85 0.06 0.00 0.00 0.00 0.00 36.38 32.36 1kn0 s VAL 186 CO 0.29 -0.09 1.25 -0.62 0.00 0.00 0.00 175.10 175.93 1kn0 s ASP 187 N 1.72 6.35 -0.14 3.32 2.15 -1.26 -4.90 116.67 123.91 1kn0 s ASP 187 Ca 0.15 -1.16 0.01 0.00 0.43 0.00 0.00 52.55 51.99 1kn0 s ASP 187 Cb -0.16 -2.51 0.20 0.00 -0.30 0.00 0.00 42.92 40.15 1kn0 s ASP 187 CO 0.12 -1.52 1.35 0.18 -0.17 0.00 0.00 175.17 175.13 1kn0 n LEU 188 N 8.41 4.34 0.00 -1.34 4.77 -1.26 -4.35 117.00 127.57 1kn0 n LEU 188 Ca 0.15 -2.23 -0.17 0.00 -0.03 0.00 0.00 56.01 53.73 1kn0 n LEU 188 Cb 0.49 -0.65 -0.12 0.00 -2.33 0.00 0.00 43.42 40.81 1kn0 n LEU 188 CO 0.64 0.72 0.25 0.71 -1.33 0.00 0.00 177.39 178.38 1kn0 h THR 189 N 0.37 1.51 -0.62 -5.08 1.35 -2.04 -3.24 112.91 105.16 1kn0 h THR 189 Ca 0.19 -2.18 -0.24 0.00 -0.55 0.00 0.00 66.41 63.63 1kn0 h THR 189 Cb 1.51 2.87 -0.14 0.00 -1.73 0.00 0.00 68.15 70.65 1kn0 h THR 189 CO 0.35 0.61 0.31 0.29 -0.25 0.00 0.00 175.52 176.83 1kn0 n LYS 190 N -4.31 2.64 -2.22 4.72 5.02 -1.26 -4.96 118.16 117.80 1kn0 n LYS 190 Ca -0.11 -2.26 -0.36 0.00 -2.02 0.00 0.00 58.31 53.56 1kn0 n LYS 190 Cb 0.65 -1.94 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 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 -2.38 2.83 0.07 7.82 0.00 -1.23 -4.95 121.76 123.92 1kn0 s ALA 191 Ca 0.41 0.92 -0.31 0.00 0.00 0.00 0.00 51.96 52.99 1kn0 s ALA 191 Cb 0.34 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.99 1kn0 s ALA 191 CO 0.09 -0.77 1.53 0.21 0.00 0.00 0.00 175.76 176.82 1kn0 s LYS 192 N -2.97 4.24 -0.00 0.00 2.20 -1.26 -4.90 119.74 117.05 1kn0 s LYS 192 Ca 0.68 2.19 0.07 0.00 -0.36 0.00 0.00 55.97 58.56 1kn0 s LYS 192 Cb -0.28 -3.49 -0.09 0.00 -1.51 0.00 0.00 37.83 32.47 1kn0 s LYS 192 CO 0.32 -0.63 0.30 0.54 -0.36 0.00 0.00 175.35 175.52 1kn0 n ARG 193 N 5.09 3.95 -3.94 4.03 1.74 -1.26 -5.04 116.66 121.22 1kn0 n ARG 193 Ca 0.14 -0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 57.13 1kn0 n ARG 193 Cb 0.41 -0.90 -0.08 0.00 -1.02 0.00 0.00 32.46 30.88 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 -1.82 0.86 0.07 5.56 1.03 -1.26 -5.10 119.66 119.00 1kn0 s GLN 194 Ca 0.02 -1.09 -0.35 0.00 0.04 0.00 0.00 55.36 53.99 1kn0 s GLN 194 Cb 0.06 0.31 -0.19 0.00 0.03 0.00 0.00 33.01 33.22 1kn0 s GLN 194 CO 0.31 -0.26 1.60 -0.44 -2.54 0.00 0.00 175.29 173.96 1kn0 h ASP 195 N 2.80 -0.95 -2.39 12.60 3.32 -2.05 -3.46 116.42 126.30 1kn0 h ASP 195 Ca -0.34 0.04 -0.60 0.00 0.02 0.00 0.00 57.03 56.16 1kn0 h ASP 195 Cb 1.19 0.26 0.16 0.00 0.22 0.00 0.00 39.33 41.16 1kn0 h ASP 195 CO 0.57 -0.64 -0.66 -0.11 -1.72 0.00 0.00 179.24 176.68 1kn0 n LEU 196 N -5.55 -1.03 -3.40 1.55 7.94 -1.26 -4.99 117.00 110.26 1kn0 n LEU 196 Ca -0.14 0.77 -0.27 0.00 -1.11 0.00 0.00 56.01 55.26 1kn0 n LEU 196 Cb 0.43 -1.04 -0.10 0.00 0.53 0.00 0.00 43.42 43.24 1kn0 n LEU 196 CO 0.38 -3.59 -0.31 -0.62 -1.11 0.00 0.00 177.39 172.13 1kn0 n GLU 197 N 0.70 0.22 -0.26 1.96 -0.58 -1.26 -5.03 120.64 116.38 1kn0 n GLU 197 Ca 0.11 -3.20 0.06 0.00 -0.42 0.00 0.00 57.16 53.71 1kn0 n GLU 197 Cb 0.44 -1.68 0.18 0.00 -0.57 0.00 0.00 31.44 29.81 1kn0 n GLU 197 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1kn0 h PRO 198 N 5.62 0.11 -0.44 3.49 0.11 -1.97 0.32 132.00 139.24 1kn0 h PRO 198 Ca 0.27 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.42 1kn0 h PRO 198 Cb 0.91 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.95 1kn0 h PRO 198 CO 0.38 0.08 0.18 1.03 -0.21 0.00 0.00 178.00 179.45 1kn0 h SER 199 N 0.12 0.22 0.35 -2.05 0.87 -1.99 -0.86 113.55 110.19 1kn0 h SER 199 Ca 0.43 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 61.02 1kn0 h SER 199 Cb 0.78 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1kn0 h SER 199 CO -0.67 0.16 -0.17 0.58 -0.53 0.00 0.00 176.83 176.20 1kn0 h VAL 200 N 0.36 0.41 -1.12 2.23 2.07 -1.62 -2.78 116.25 115.80 1kn0 h VAL 200 Ca 0.20 -0.73 0.34 0.00 0.82 0.00 0.00 66.70 67.33 1kn0 h VAL 200 Cb 0.16 0.65 -0.12 0.00 -1.52 0.00 0.00 31.29 30.45 1kn0 h VAL 200 CO -0.18 0.09 0.69 -0.08 0.02 0.00 0.00 177.57 178.11 1kn0 h GLU 201 N -0.99 0.26 0.39 1.57 4.57 -0.37 -0.84 114.58 119.17 1kn0 h GLU 201 Ca -0.05 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1kn0 h GLU 201 Cb 0.51 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1kn0 h GLU 201 CO 0.08 0.17 -0.19 1.49 -1.18 0.00 0.00 179.01 179.38 1kn0 h GLU 202 N 0.27 -0.50 -0.91 1.92 4.81 -1.16 -2.17 114.58 116.83 1kn0 h GLU 202 Ca 0.72 0.03 0.15 0.00 -0.13 0.00 0.00 59.36 60.14 1kn0 h GLU 202 Cb 1.92 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 31.34 1kn0 h GLU 202 CO -0.45 -0.20 0.58 0.00 -0.73 0.00 0.00 179.01 178.22 1kn0 h ALA 203 N -0.68 1.85 0.37 2.92 0.00 -1.03 -2.12 119.26 120.56 1kn0 h ALA 203 Ca -0.05 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1kn0 h ALA 203 Cb 0.54 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1kn0 h ALA 203 CO 0.09 -0.11 -0.18 -0.09 0.00 0.00 0.00 179.25 178.97 1kn0 h ARG 204 N 0.68 -0.47 -0.89 0.00 2.43 -1.20 -2.38 114.38 112.55 1kn0 h ARG 204 Ca 0.47 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.83 1kn0 h ARG 204 Cb 0.78 0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 30.34 1kn0 h ARG 204 CO -0.22 -0.20 0.48 -0.92 -1.51 0.00 0.00 179.97 177.60 1kn0 h TYR 205 N -0.71 0.84 0.00 2.20 3.20 -0.81 0.70 116.97 122.39 1kn0 h TYR 205 Ca -0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1kn0 h TYR 205 Cb 0.49 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.52 1kn0 h TYR 205 CO -0.00 0.20 0.00 0.09 -1.64 0.00 0.00 178.16 176.81 1kn0 n ASN 206 N -4.84 0.00 -0.31 -2.11 3.02 -0.85 -2.18 115.26 107.98 1kn0 n ASN 206 Ca 0.19 0.46 0.14 0.00 -0.03 0.00 0.00 54.58 55.34 1kn0 n ASN 206 Cb 0.47 -0.48 0.64 0.00 -0.61 0.00 0.00 39.78 39.79 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 -1.48 0.97 -0.74 6.41 2.88 0.24 -5.09 113.62 116.81 1kn0 n SER 207 Ca 0.05 -1.37 0.09 0.00 -1.33 0.00 0.00 58.87 56.31 1kn0 n SER 207 Cb 0.20 -0.01 0.08 0.00 -0.75 0.00 0.00 64.21 63.72 1kn0 n SER 207 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81