#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 3.63 0.00 0.00 5.36 -1.26 -0.95 117.98 124.76 1kn0 s PHE 26 Ca 0.00 1.67 0.00 0.00 -0.96 0.00 0.00 56.93 57.64 1kn0 s PHE 26 Cb 0.00 -3.14 0.00 0.00 -0.34 0.00 0.00 43.02 39.54 1kn0 s PHE 26 CO 0.00 -0.08 0.00 0.41 -1.46 0.00 0.00 175.22 174.09 1kn0 n GLY 27 N 2.94 3.31 0.09 13.12 0.00 0.10 -4.80 105.19 119.95 1kn0 n GLY 27 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.95 0.50 -1.36 1.61 1.13 -1.11 -4.09 117.38 112.11 1kn0 n GLN 28 Ca 0.00 0.36 -0.46 0.00 -1.94 0.00 0.00 57.00 54.96 1kn0 n GLN 28 Cb 0.00 -1.55 -0.03 0.00 0.11 0.00 0.00 30.24 28.77 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 -0.98 2.05 0.25 0.00 -0.21 -1.26 -3.31 119.66 116.20 1kn0 s GLN 30 Ca 0.62 -0.99 -0.30 0.00 0.02 0.00 0.00 55.36 54.71 1kn0 s GLN 30 Cb -0.87 -2.18 -0.09 0.00 1.00 0.00 0.00 33.01 30.87 1kn0 s GLN 30 CO 0.56 0.54 1.21 0.71 -2.12 0.00 0.00 175.29 176.19 1kn0 s TYR 31 N -0.93 3.36 0.48 0.91 1.51 -1.26 -5.02 117.35 116.41 1kn0 s TYR 31 Ca 0.15 1.47 -0.16 0.00 -1.01 0.00 0.00 57.07 57.51 1kn0 s TYR 31 Cb -0.10 -3.47 -0.08 0.00 -0.11 0.00 0.00 41.96 38.19 1kn0 s TYR 31 CO 0.05 -1.27 0.95 0.95 -1.11 0.00 0.00 175.55 175.11 1kn0 s THR 32 N -0.60 4.55 0.31 -0.71 -4.23 -1.26 -4.81 115.64 108.89 1kn0 s THR 32 Ca 0.50 1.17 0.07 0.00 -1.18 0.00 0.00 61.69 62.25 1kn0 s THR 32 Cb -0.35 -3.70 0.30 0.00 1.34 0.00 0.00 72.50 70.09 1kn0 s THR 32 CO 0.42 -0.60 1.76 0.00 -0.54 0.00 0.00 174.62 175.66 1kn0 h ALA 33 N 1.13 1.71 0.56 3.99 0.00 -1.99 0.12 119.26 124.79 1kn0 h ALA 33 Ca -0.47 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1kn0 h ALA 33 Cb 1.18 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.92 1kn0 h ALA 33 CO 0.62 -0.11 -0.27 0.93 0.00 0.00 0.00 179.25 180.42 1kn0 h GLU 34 N 0.71 -0.73 -0.42 0.00 3.07 -2.00 -1.60 114.58 113.61 1kn0 h GLU 34 Ca 0.60 0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.50 1kn0 h GLU 34 Cb 0.99 0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 29.05 1kn0 h GLU 34 CO -0.41 -0.45 0.24 1.49 -1.40 0.00 0.00 179.01 178.48 1kn0 h GLU 35 N -0.84 0.59 0.06 2.33 4.81 -1.80 -1.78 114.58 117.95 1kn0 h GLU 35 Ca -0.08 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1kn0 h GLU 35 Cb 0.61 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 1kn0 h GLU 35 CO 0.13 0.46 -0.32 -0.92 -0.73 0.00 0.00 179.01 177.63 1kn0 h TYR 36 N 0.55 -0.88 -0.42 0.92 3.20 -0.75 -1.51 116.97 118.08 1kn0 h TYR 36 Ca 0.15 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.09 1kn0 h TYR 36 Cb 0.04 0.38 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 1kn0 h TYR 36 CO -0.02 -0.42 0.19 0.37 -1.64 0.00 0.00 178.16 176.64 1kn0 h GLN 37 N -0.51 0.38 0.05 1.82 4.15 -1.12 0.52 115.11 120.39 1kn0 h GLN 37 Ca 0.05 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 1kn0 h GLN 37 Cb 0.57 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.17 1kn0 h GLN 37 CO -0.23 0.25 -0.02 0.00 -1.93 0.00 0.00 178.83 176.90 1kn0 h ALA 38 N 1.24 -0.06 -0.57 3.38 0.00 -1.12 -2.07 119.26 120.06 1kn0 h ALA 38 Ca 0.19 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1kn0 h ALA 38 Cb 0.12 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1kn0 h ALA 38 CO -0.15 -0.53 0.21 0.82 0.00 0.00 0.00 179.25 179.59 1kn0 h ILE 39 N -0.08 1.23 -0.62 0.00 2.04 -1.15 -0.74 117.51 118.20 1kn0 h ILE 39 Ca -0.01 -0.74 0.08 0.00 1.00 0.00 0.00 64.86 65.19 1kn0 h ILE 39 Cb 0.06 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 36.72 1kn0 h ILE 39 CO 0.01 0.28 0.27 -0.61 0.00 0.00 0.00 178.15 178.11 1kn0 h GLN 40 N 0.79 0.48 0.14 2.37 5.75 -0.76 -0.15 115.11 123.72 1kn0 h GLN 40 Ca 0.19 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 1kn0 h GLN 40 Cb 0.24 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.68 1kn0 h GLN 40 CO -0.01 0.31 -0.07 0.87 -2.65 0.00 0.00 178.83 177.28 1kn0 h LYS 41 N 0.49 -0.19 -0.93 1.69 1.57 -1.16 -3.28 116.57 114.77 1kn0 h LYS 41 Ca 0.30 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 59.25 1kn0 h LYS 41 Cb 0.32 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.58 1kn0 h LYS 41 CO -0.26 0.23 0.54 0.00 -0.57 0.00 0.00 179.45 179.39 1kn0 h ALA 42 N 0.03 1.44 0.00 3.86 0.00 -0.89 -0.36 119.26 123.35 1kn0 h ALA 42 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1kn0 h ALA 42 Cb 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1kn0 h ALA 42 CO 0.03 0.01 0.00 -0.07 0.00 0.00 0.00 179.25 179.22 1kn0 h LEU 43 N 0.77 0.00 -0.25 0.00 3.38 -1.08 -2.05 115.31 116.08 1kn0 h LEU 43 Ca 0.50 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.30 1kn0 h LEU 43 Cb 0.67 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1kn0 h LEU 43 CO -0.34 0.00 -0.81 0.03 0.09 0.00 0.00 178.44 177.41 1kn0 h ARG 44 N 0.00 0.00 -6.47 1.13 3.08 -1.16 -1.06 114.38 109.90 1kn0 h ARG 44 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1kn0 h ARG 44 Cb 0.03 0.00 0.18 0.00 0.08 0.00 0.00 29.97 30.26 1kn0 h ARG 44 CO 0.00 0.81 -0.54 1.04 -1.07 0.00 0.00 179.97 180.22 1kn0 n GLN 45 N -3.46 0.37 -4.06 0.04 6.02 -0.77 -4.61 117.38 110.91 1kn0 n GLN 45 Ca -0.00 0.15 -0.32 0.00 -0.01 0.00 0.00 57.00 56.82 1kn0 n GLN 45 Cb 0.81 -1.63 -0.06 0.00 1.02 0.00 0.00 30.24 30.38 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 -2.15 3.03 0.39 -1.09 0.52 -1.26 -1.58 118.95 116.80 1kn0 s ARG 46 Ca 0.65 -0.57 -0.25 0.00 -0.52 0.00 0.00 55.73 55.05 1kn0 s ARG 46 Cb -0.41 -2.82 -0.09 0.00 0.52 0.00 0.00 34.95 32.15 1kn0 s ARG 46 CO 0.58 0.61 1.08 -0.51 0.02 0.00 0.00 175.30 177.07 1kn0 s LEU 47 N -2.10 4.19 0.94 2.53 2.01 -1.26 -4.95 118.68 120.04 1kn0 s LEU 47 Ca 0.27 2.12 -0.15 0.00 0.01 0.00 0.00 54.13 56.38 1kn0 s LEU 47 Cb -0.12 -4.09 0.17 0.00 0.01 0.00 0.00 46.19 42.16 1kn0 s LEU 47 CO 0.19 -0.49 1.28 -0.83 1.01 0.00 0.00 176.35 177.51 1kn0 s GLY 48 N -1.41 1.73 0.00 -3.19 0.00 -1.26 -4.91 107.32 98.27 1kn0 s GLY 48 Ca 0.56 -1.05 0.13 0.00 0.00 0.00 0.00 44.72 44.36 1kn0 s GLY 48 CO 0.31 -0.35 1.37 -1.05 0.00 0.00 0.00 173.10 173.38 1kn0 n PRO 49 N -3.70 0.15 0.05 2.90 -0.02 -1.26 -2.29 135.00 130.83 1kn0 n PRO 49 Ca 0.13 0.18 0.11 0.00 -2.02 0.00 0.00 63.50 61.91 1kn0 n PRO 49 Cb 0.60 -1.50 0.45 0.00 -0.02 0.00 0.00 33.50 33.03 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 -1.33 0.10 -0.07 -0.52 4.71 -1.26 -3.36 120.64 118.90 1kn0 n GLU 50 Ca 0.06 0.21 -0.05 0.00 -0.01 0.00 0.00 57.16 57.37 1kn0 n GLU 50 Cb 0.12 -1.64 -0.15 0.00 -1.01 0.00 0.00 31.44 28.76 1kn0 n GLU 50 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1kn0 n TYR 51 N -1.82 0.00 -2.28 -0.32 4.02 -0.97 -5.01 117.16 110.78 1kn0 n TYR 51 Ca 0.05 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.61 1kn0 n TYR 51 Cb 0.28 -0.80 -0.02 0.00 -0.02 0.00 0.00 39.34 38.78 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 -2.66 4.37 0.31 -0.72 -1.09 -1.21 -4.29 121.20 115.90 1kn0 s ILE 52 Ca -0.09 1.11 0.01 0.00 -2.23 0.00 0.00 60.65 59.46 1kn0 s ILE 52 Cb 0.07 -3.65 -0.02 0.00 -1.58 0.00 0.00 42.46 37.29 1kn0 s ILE 52 CO 0.77 -0.67 0.34 -0.44 -1.23 0.00 0.00 174.94 173.71 1kn0 s SER 53 N -3.07 1.01 0.01 3.58 0.01 0.23 -4.97 113.70 110.51 1kn0 s SER 53 Ca 0.60 -1.54 -0.17 0.00 1.31 0.00 0.00 55.95 56.15 1kn0 s SER 53 Cb -0.11 0.57 0.03 0.00 0.21 0.00 0.00 66.02 66.72 1kn0 s SER 53 CO 0.34 -1.12 0.38 -0.94 0.41 0.00 0.00 173.24 172.31 1kn0 s SER 54 N -3.26 -0.26 0.11 2.44 1.04 -1.26 -1.68 113.70 110.84 1kn0 s SER 54 Ca 0.35 0.07 0.02 0.00 0.48 0.00 0.00 55.95 56.87 1kn0 s SER 54 Cb 0.02 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 1kn0 s SER 54 CO 0.21 -0.57 -0.07 -0.13 0.98 0.00 0.00 173.24 173.66 1kn0 s ARG 55 N -1.95 0.90 -0.51 4.02 0.52 -0.56 -4.96 118.95 116.40 1kn0 s ARG 55 Ca -0.09 -1.37 -0.17 0.00 -0.52 0.00 0.00 55.73 53.58 1kn0 s ARG 55 Cb -0.02 -0.29 0.09 0.00 0.52 0.00 0.00 34.95 35.25 1kn0 s ARG 55 CO 0.01 -0.01 0.52 1.41 0.02 0.00 0.00 175.30 177.25 1kn0 s MET 56 N -3.83 3.03 0.20 3.54 1.75 -1.26 -1.13 119.30 121.60 1kn0 s MET 56 Ca 0.14 -1.30 -0.32 0.00 -1.25 0.00 0.00 55.69 52.95 1kn0 s MET 56 Cb 0.05 -4.18 -0.15 0.00 2.84 0.00 0.00 34.83 33.39 1kn0 s MET 56 CO -0.03 -1.21 1.33 0.00 -0.65 0.00 0.00 175.02 174.45 1kn0 n ALA 57 N 5.62 0.28 -1.54 4.11 0.00 -0.44 -4.72 120.51 123.83 1kn0 n ALA 57 Ca -0.11 0.44 -0.33 0.00 0.00 0.00 0.00 53.44 53.45 1kn0 n ALA 57 Cb 0.43 -2.17 -0.07 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 2.24 -0.06 2.45 0.00 0.00 -1.26 -1.27 105.19 107.30 1kn0 n GLY 58 Ca 0.14 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 6.21 2.32 0.00 -0.02 0.00 -1.26 -4.98 105.19 107.45 1kn0 n GLY 59 Ca 0.47 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.75 0.00 -0.02 0.00 -0.39 -5.09 105.19 97.93 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 -0.97 2.76 -2.92 1.61 3.00 -1.26 -4.32 117.38 115.28 1kn0 n GLN 61 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 1kn0 n GLN 61 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.20 1kn0 n GLN 61 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1kn0 s LYS 62 N 1.36 4.25 -0.23 -1.09 2.20 -1.26 -1.32 119.74 123.65 1kn0 s LYS 62 Ca 0.00 0.95 -0.08 0.00 -0.36 0.00 0.00 55.97 56.48 1kn0 s LYS 62 Cb 0.00 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 1kn0 s LYS 62 CO 0.00 -0.37 0.09 0.08 -0.36 0.00 0.00 175.35 174.80 1kn0 s VAL 63 N 2.31 4.72 0.06 4.02 1.01 -0.28 -4.94 120.40 127.29 1kn0 s VAL 63 Ca 0.36 -0.04 -0.15 0.00 0.00 0.00 0.00 61.98 62.15 1kn0 s VAL 63 Cb -0.16 -3.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.97 1kn0 s VAL 63 CO 0.11 0.36 0.47 0.00 0.00 0.00 0.00 175.10 176.04 1kn0 s TYR 65 N -1.21 -0.10 -0.17 0.00 -0.85 -0.67 -4.95 117.35 109.39 1kn0 s TYR 65 Ca 0.29 -0.29 -0.03 0.00 -0.52 0.00 0.00 57.07 56.52 1kn0 s TYR 65 Cb -0.17 0.52 -0.02 0.00 0.38 0.00 0.00 41.96 42.68 1kn0 s TYR 65 CO 0.16 -1.08 -0.06 0.42 -1.52 0.00 0.00 175.55 173.48 1kn0 s ILE 66 N -3.91 3.57 0.73 -3.49 1.01 -1.26 -0.60 121.20 117.24 1kn0 s ILE 66 Ca 0.12 -0.46 -0.16 0.00 0.00 0.00 0.00 60.65 60.15 1kn0 s ILE 66 Cb -0.03 -2.57 0.04 0.00 0.01 0.00 0.00 42.46 39.91 1kn0 s ILE 66 CO 0.03 0.48 1.24 -1.61 0.00 0.00 0.00 174.94 175.08 1kn0 s GLU 67 N 0.68 2.10 0.09 2.79 2.02 -1.26 -4.85 118.70 120.26 1kn0 s GLU 67 Ca -0.03 1.88 -0.24 0.00 0.02 0.00 0.00 54.97 56.60 1kn0 s GLU 67 Cb -0.15 -1.81 -0.16 0.00 0.10 0.00 0.00 34.13 32.11 1kn0 s GLU 67 CO 0.02 -1.90 1.72 0.78 0.02 0.00 0.00 175.26 175.91 1kn0 h GLY 68 N -0.20 -0.14 1.44 -1.39 0.00 -1.98 -2.65 103.07 98.15 1kn0 h GLY 68 Ca -0.48 0.05 0.06 0.00 0.00 0.00 0.00 47.33 46.96 1kn0 h GLY 68 CO 0.50 -0.05 0.22 1.12 0.00 0.00 0.00 176.54 178.33 1kn0 h HIS 69 N -0.14 0.00 0.41 5.60 2.07 -1.99 -1.07 115.15 120.03 1kn0 h HIS 69 Ca -0.01 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.49 1kn0 h HIS 69 Cb 0.11 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.09 1kn0 h HIS 69 CO -0.07 0.00 -0.20 0.00 -3.07 0.00 0.00 177.93 174.59 1kn0 h ARG 70 N 0.00 -0.53 -0.56 5.12 2.47 -1.84 -2.00 114.38 117.04 1kn0 h ARG 70 Ca 0.10 0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.87 1kn0 h ARG 70 Cb 0.54 0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.95 1kn0 h ARG 70 CO -0.00 -0.24 0.37 0.28 0.56 0.00 0.00 179.97 180.94 1kn0 h VAL 71 N -0.80 1.12 0.53 2.04 2.07 -1.15 -0.05 116.25 120.01 1kn0 h VAL 71 Ca -0.06 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 1kn0 h VAL 71 Cb 0.54 0.33 0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1kn0 h VAL 71 CO 0.09 0.13 -0.26 0.40 0.02 0.00 0.00 177.57 177.96 1kn0 h ILE 72 N 0.72 0.44 -0.98 4.57 2.04 -1.15 -1.65 117.51 121.52 1kn0 h ILE 72 Ca 0.21 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.92 1kn0 h ILE 72 Cb -0.02 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 36.53 1kn0 h ILE 72 CO -0.05 0.03 0.64 0.78 0.00 0.00 0.00 178.15 179.55 1kn0 h ASN 73 N -0.84 1.07 -0.64 1.72 2.35 -0.97 -0.88 115.58 117.40 1kn0 h ASN 73 Ca -0.07 -0.01 0.08 0.00 -0.55 0.00 0.00 56.30 55.75 1kn0 h ASN 73 Cb 0.60 -0.25 -0.07 0.00 0.05 0.00 0.00 38.32 38.65 1kn0 h ASN 73 CO 0.12 0.74 0.30 -0.07 -1.65 0.00 0.00 177.43 176.87 1kn0 h LEU 74 N 1.25 0.37 -0.35 1.61 3.38 -0.85 -1.74 115.31 118.98 1kn0 h LEU 74 Ca 0.38 0.06 -0.17 0.00 0.09 0.00 0.00 57.88 58.24 1kn0 h LEU 74 Cb -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1kn0 h LEU 74 CO -0.11 0.22 -0.45 0.00 0.09 0.00 0.00 178.44 178.18 1kn0 h ALA 75 N 1.40 0.53 0.00 1.53 0.00 -0.42 -0.94 119.26 121.36 1kn0 h ALA 75 Ca 0.31 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1kn0 h ALA 75 Cb 0.33 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1kn0 h ALA 75 CO -0.26 0.68 -0.00 -0.91 0.00 0.00 0.00 179.25 178.76 1kn0 h ASN 76 N 0.73 0.00 0.00 0.00 2.35 -0.69 -0.82 115.58 117.15 1kn0 h ASN 76 Ca 0.04 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.66 1kn0 h ASN 76 Cb 1.06 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.41 1kn0 h ASN 76 CO 0.11 0.00 -0.84 -0.33 -1.65 0.00 0.00 177.43 174.72 1kn0 h GLU 77 N 0.00 0.00 -0.57 0.81 4.39 -1.06 -0.78 114.58 117.37 1kn0 h GLU 77 Ca -0.00 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.82 1kn0 h GLU 77 Cb 0.23 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 1kn0 h GLU 77 CO 0.00 0.71 0.39 0.52 -1.16 0.00 0.00 179.01 179.47 1kn0 h MET 78 N -1.00 0.22 0.00 2.33 2.86 -0.98 -3.27 114.93 115.10 1kn0 h MET 78 Ca -0.20 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1kn0 h MET 78 Cb 1.00 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.61 1kn0 h MET 78 CO -0.12 0.15 0.00 1.19 1.06 0.00 0.00 176.91 179.18 1kn0 n PHE 79 N -4.44 0.00 0.00 -0.22 3.01 -0.33 -4.92 117.46 110.56 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 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 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 0.52 -1.15 0.48 1.37 0.00 -0.30 -2.90 105.19 103.22 1kn0 n GLY 80 Ca 0.00 -1.38 0.28 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.18 1.61 -0.00 -1.88 0.16 116.97 116.68 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 -3.74 3.06 0.00 0.10 6.94 -1.26 -4.58 115.26 115.78 1kn0 n ASN 82 Ca 0.19 -2.70 0.10 0.00 -0.02 0.00 0.00 54.58 52.15 1kn0 n ASN 82 Cb 1.11 -0.38 -0.08 0.00 -2.36 0.00 0.00 39.78 38.08 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 -0.54 -1.04 3.14 4.83 0.00 0.55 -4.77 105.19 107.37 1kn0 n GLY 83 Ca 0.15 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.07 0.77 0.13 1.61 1.48 -1.25 -0.41 118.94 118.20 1kn0 s TRP 84 Ca 0.06 -0.98 -0.22 0.00 -1.06 0.00 0.00 56.10 53.91 1kn0 s TRP 84 Cb 0.16 -0.48 0.06 0.00 -1.16 0.00 0.00 33.47 32.05 1kn0 s TRP 84 CO 0.85 -0.24 0.55 0.00 -4.06 0.00 0.00 176.95 174.06 1kn0 s ALA 85 N -3.73 -1.44 0.03 2.67 0.00 0.75 -4.95 121.76 115.09 1kn0 s ALA 85 Ca 0.11 0.42 -0.07 0.00 0.00 0.00 0.00 51.96 52.41 1kn0 s ALA 85 Cb 0.06 0.76 -0.00 0.00 0.00 0.00 0.00 23.12 23.94 1kn0 s ALA 85 CO -0.06 -0.70 0.14 -3.38 0.00 0.00 0.00 175.76 171.76 1kn0 s HIS 86 N -3.54 0.11 0.06 0.00 -3.43 -1.26 0.12 115.29 107.35 1kn0 s HIS 86 Ca 0.00 -0.33 -0.04 0.00 -0.80 0.00 0.00 55.06 53.89 1kn0 s HIS 86 Cb -0.00 -0.08 -0.02 0.00 -1.43 0.00 0.00 32.58 31.05 1kn0 s HIS 86 CO -0.11 -0.37 0.07 -1.54 -2.00 0.00 0.00 174.74 170.79 1kn0 s SER 87 N -1.93 0.30 -0.50 7.38 1.04 -0.65 -4.98 113.70 114.36 1kn0 s SER 87 Ca -0.07 -0.78 -0.17 0.00 0.48 0.00 0.00 55.95 55.41 1kn0 s SER 87 Cb -0.03 0.25 0.08 0.00 0.10 0.00 0.00 66.02 66.43 1kn0 s SER 87 CO -0.03 -0.62 0.50 -0.63 0.98 0.00 0.00 173.24 173.45 1kn0 s ILE 88 N -3.59 5.10 0.21 -1.02 1.01 -1.26 -1.37 121.20 120.28 1kn0 s ILE 88 Ca 0.03 -0.99 -0.10 0.00 0.00 0.00 0.00 60.65 59.59 1kn0 s ILE 88 Cb 0.05 -4.24 0.16 0.00 0.01 0.00 0.00 42.46 38.43 1kn0 s ILE 88 CO -0.09 -0.74 1.85 0.74 0.00 0.00 0.00 174.94 176.70 1kn0 h THR 89 N 5.82 1.21 -1.43 2.92 2.02 -0.86 -3.46 112.91 119.14 1kn0 h THR 89 Ca -0.29 -0.46 0.12 0.00 0.77 0.00 0.00 66.41 66.55 1kn0 h THR 89 Cb 1.10 0.14 -0.25 0.00 -1.74 0.00 0.00 68.15 67.40 1kn0 h THR 89 CO 0.95 0.22 0.64 -1.58 0.37 0.00 0.00 175.52 176.12 1kn0 s GLN 90 N -5.99 0.43 -0.06 6.66 0.74 -1.18 -5.00 119.66 115.27 1kn0 s GLN 90 Ca -0.13 0.18 0.01 0.00 0.05 0.00 0.00 55.36 55.47 1kn0 s GLN 90 Cb 0.15 0.21 0.02 0.00 1.10 0.00 0.00 33.01 34.49 1kn0 s GLN 90 CO 0.79 -0.12 -0.06 -1.14 -0.55 0.00 0.00 175.29 174.21 1kn0 s GLN 91 N -0.80 1.08 -0.07 1.67 0.74 -1.26 0.20 119.66 121.20 1kn0 s GLN 91 Ca 0.02 -0.18 0.03 0.00 0.05 0.00 0.00 55.36 55.28 1kn0 s GLN 91 Cb -0.02 -1.04 0.01 0.00 1.10 0.00 0.00 33.01 33.07 1kn0 s GLN 91 CO -0.03 -0.08 -0.17 1.21 -0.55 0.00 0.00 175.29 175.68 1kn0 s ASN 92 N 0.97 2.25 -0.46 6.67 2.47 -0.24 -5.00 114.94 121.59 1kn0 s ASN 92 Ca -0.10 -0.39 -0.27 0.00 0.42 0.00 0.00 52.86 52.52 1kn0 s ASN 92 Cb -0.14 -1.00 0.03 0.00 -1.45 0.00 0.00 41.25 38.68 1kn0 s ASN 92 CO 0.00 0.09 1.02 -0.69 -3.72 0.00 0.00 177.10 173.79 1kn0 s VAL 93 N 0.50 4.37 0.10 -5.21 1.01 -1.26 -1.15 120.40 118.76 1kn0 s VAL 93 Ca -0.15 0.99 -0.18 0.00 0.00 0.00 0.00 61.98 62.64 1kn0 s VAL 93 Cb -0.16 -4.50 -0.06 0.00 0.00 0.00 0.00 36.38 31.66 1kn0 s VAL 93 CO 0.05 -0.88 1.55 0.44 0.00 0.00 0.00 175.10 176.26 1kn0 h ASP 94 N 9.08 0.48 -4.78 3.32 3.32 -0.57 -3.48 116.42 123.79 1kn0 h ASP 94 Ca -0.23 -0.29 0.07 0.00 0.02 0.00 0.00 57.03 56.59 1kn0 h ASP 94 Cb 1.07 -0.13 -0.14 0.00 0.22 0.00 0.00 39.33 40.35 1kn0 h ASP 94 CO 1.07 0.65 0.40 0.72 -1.72 0.00 0.00 179.24 180.36 1kn0 s PHE 95 N -5.06 -0.40 -0.32 4.55 -0.12 -0.99 -4.98 117.98 110.66 1kn0 s PHE 95 Ca -0.13 0.23 -0.01 0.00 -0.05 0.00 0.00 56.93 56.97 1kn0 s PHE 95 Cb 0.08 0.55 0.13 0.00 -0.63 0.00 0.00 43.02 43.15 1kn0 s PHE 95 CO 0.75 -0.66 0.24 0.08 -0.05 0.00 0.00 175.22 175.58 1kn0 s VAL 96 N -3.33 -0.13 0.03 -2.49 1.01 -1.26 -2.03 120.40 112.20 1kn0 s VAL 96 Ca 0.04 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1kn0 s VAL 96 Cb -0.01 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1kn0 s VAL 96 CO -0.10 -0.73 0.11 -1.81 0.00 0.00 0.00 175.10 172.58 1kn0 s ASP 97 N 1.71 5.83 -0.25 3.32 1.01 -0.39 -4.94 116.67 122.95 1kn0 s ASP 97 Ca 0.13 0.14 0.01 0.00 0.71 0.00 0.00 52.55 53.54 1kn0 s ASP 97 Cb -0.18 -1.68 0.04 0.00 1.01 0.00 0.00 42.92 42.12 1kn0 s ASP 97 CO -0.18 0.22 -0.10 -0.22 0.21 0.00 0.00 175.17 175.10 1kn0 s LEU 98 N -2.11 3.21 -0.33 1.23 2.96 -1.26 -0.64 118.68 121.74 1kn0 s LEU 98 Ca 0.28 -1.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.06 1kn0 s LEU 98 Cb -0.12 -1.58 0.08 0.00 0.50 0.00 0.00 46.19 45.07 1kn0 s LEU 98 CO 0.20 -0.15 0.03 0.20 -1.32 0.00 0.00 176.35 175.31 1kn0 s ASN 99 N 1.20 4.81 -0.47 3.68 0.01 -0.28 -4.88 114.94 119.00 1kn0 s ASN 99 Ca -0.04 -1.79 -0.36 0.00 -0.71 0.00 0.00 52.86 49.96 1kn0 s ASN 99 Cb -0.18 -1.66 0.05 0.00 0.41 0.00 0.00 41.25 39.87 1kn0 s ASN 99 CO -0.06 -0.34 0.66 -0.46 -1.51 0.00 0.00 177.10 175.39 1kn0 n ASN 100 N 4.43 -5.57 0.00 -1.22 6.94 -1.26 -2.21 115.26 116.37 1kn0 n ASN 100 Ca -0.05 -0.18 0.00 0.00 -0.02 0.00 0.00 54.58 54.33 1kn0 n ASN 100 Cb 0.42 -1.82 0.00 0.00 -2.36 0.00 0.00 39.78 36.02 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 -0.29 0.79 3.61 4.83 0.00 -1.26 -4.94 105.19 107.93 1kn0 n GLY 101 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.07 2.55 -0.10 1.61 1.02 -0.94 -4.35 119.74 119.46 1kn0 s LYS 102 Ca 0.00 -0.73 -0.03 0.00 0.02 0.00 0.00 55.97 55.22 1kn0 s LYS 102 Cb 0.00 -2.51 -0.03 0.00 -0.52 0.00 0.00 37.83 34.76 1kn0 s LYS 102 CO 0.00 0.60 0.03 -0.06 -0.92 0.00 0.00 175.35 175.00 1kn0 s PHE 103 N -1.04 3.25 -0.30 3.18 0.40 -0.53 -1.13 117.98 121.82 1kn0 s PHE 103 Ca 0.18 0.25 0.03 0.00 -0.60 0.00 0.00 56.93 56.78 1kn0 s PHE 103 Cb -0.11 -1.84 0.08 0.00 0.51 0.00 0.00 43.02 41.66 1kn0 s PHE 103 CO 0.09 0.50 -0.00 0.71 0.70 0.00 0.00 175.22 177.21 1kn0 s TYR 104 N -0.82 3.19 -0.10 0.36 1.51 0.18 -3.73 117.35 117.95 1kn0 s TYR 104 Ca 0.13 -2.50 0.01 0.00 -1.01 0.00 0.00 57.07 53.70 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 0.03 -0.90 -0.13 0.08 -1.11 0.00 0.00 175.55 173.52 1kn0 s VAL 105 N 1.11 3.14 -0.15 0.71 1.01 0.20 -1.27 120.40 125.15 1kn0 s VAL 105 Ca 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1kn0 s VAL 105 Cb -0.19 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 33.93 1kn0 s VAL 105 CO -0.09 0.55 -0.13 -0.83 0.00 0.00 0.00 175.10 174.61 1kn0 s GLY 106 N -0.14 1.09 -0.02 4.51 0.00 -0.86 -2.10 107.32 109.80 1kn0 s GLY 106 Ca -0.01 -0.88 0.04 0.00 0.00 0.00 0.00 44.72 43.88 1kn0 s GLY 106 CO 0.03 0.59 -0.15 0.14 0.00 0.00 0.00 173.10 173.71 1kn0 s VAL 107 N 1.51 1.19 0.13 1.40 1.01 -0.48 0.23 120.40 125.40 1kn0 s VAL 107 Ca 0.04 -0.63 0.11 0.00 0.00 0.00 0.00 61.98 61.50 1kn0 s VAL 107 Cb -0.13 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1kn0 s VAL 107 CO -0.10 0.34 -0.25 0.00 0.00 0.00 0.00 175.10 175.09 1kn0 s ALA 109 N -1.12 -0.23 -0.30 0.00 0.00 0.32 -1.07 121.76 119.36 1kn0 s ALA 109 Ca 0.15 0.26 -0.08 0.00 0.00 0.00 0.00 51.96 52.29 1kn0 s ALA 109 Cb -0.10 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1kn0 s ALA 109 CO 0.07 -0.04 0.12 -0.06 0.00 0.00 0.00 175.76 175.84 1kn0 s PHE 110 N 0.06 3.16 -0.07 0.00 0.40 0.13 0.42 117.98 122.09 1kn0 s PHE 110 Ca -0.00 -0.79 0.02 0.00 -0.60 0.00 0.00 56.93 55.56 1kn0 s PHE 110 Cb -0.01 -2.30 -0.03 0.00 0.51 0.00 0.00 43.02 41.19 1kn0 s PHE 110 CO 0.00 -0.52 -0.10 0.08 0.70 0.00 0.00 175.22 175.38 1kn0 s VAL 111 N 1.55 3.44 -0.11 -0.44 1.01 -0.36 -0.10 120.40 125.39 1kn0 s VAL 111 Ca 0.04 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1kn0 s VAL 111 Cb -0.17 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1kn0 s VAL 111 CO 0.04 0.59 -0.22 -0.60 0.00 0.00 0.00 175.10 174.91 1kn0 s ARG 112 N -0.70 3.09 -0.06 2.72 3.52 -0.47 -1.26 118.95 125.79 1kn0 s ARG 112 Ca 0.11 -0.85 0.01 0.00 -0.13 0.00 0.00 55.73 54.87 1kn0 s ARG 112 Cb -0.11 -2.38 -0.03 0.00 -1.56 0.00 0.00 34.95 30.87 1kn0 s ARG 112 CO 0.01 0.14 -0.06 0.08 -0.81 0.00 0.00 175.30 174.66 1kn0 s VAL 113 N 0.46 3.79 0.00 7.11 1.01 0.97 -1.63 120.40 132.12 1kn0 s VAL 113 Ca -0.15 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1kn0 s VAL 113 Cb -0.17 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 1kn0 s VAL 113 CO 0.06 0.57 -0.08 -1.58 0.00 0.00 0.00 175.10 174.08 1kn0 s GLN 114 N -0.90 0.60 0.35 2.72 0.74 0.32 -1.17 119.66 122.31 1kn0 s GLN 114 Ca 0.13 -0.34 0.00 0.00 0.05 0.00 0.00 55.36 55.20 1kn0 s GLN 114 Cb -0.11 -0.56 -0.03 0.00 1.10 0.00 0.00 33.01 33.41 1kn0 s GLN 114 CO 0.02 0.15 0.55 -0.51 -0.55 0.00 0.00 175.29 174.95 1kn0 s LEU 115 N -0.39 4.01 0.54 3.68 1.43 0.16 -0.18 118.68 127.93 1kn0 s LEU 115 Ca 0.01 0.46 0.25 0.00 -1.03 0.00 0.00 54.13 53.82 1kn0 s LEU 115 Cb -0.04 -3.32 1.36 0.00 0.03 0.00 0.00 46.19 44.22 1kn0 s LEU 115 CO -0.00 -0.30 1.73 0.07 0.23 0.00 0.00 176.35 178.09 1kn0 h LYS 116 N 0.76 0.00 -0.14 1.70 2.10 -1.03 -0.44 116.57 119.52 1kn0 h LYS 116 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1kn0 h LYS 116 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1kn0 h LYS 116 CO 0.61 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.66 1kn0 n ASP 117 N -2.59 2.42 0.00 7.07 5.75 -1.21 0.00 116.55 127.99 1kn0 n ASP 117 Ca -0.02 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 1kn0 n ASP 117 Cb 0.32 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 1kn0 n ASP 117 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kn0 n GLY 118 N 1.29 2.61 3.71 6.12 0.00 -0.17 -4.77 105.19 113.98 1kn0 n GLY 118 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 2.94 -3.68 1.61 2.88 -1.25 -4.73 113.62 111.39 1kn0 n SER 119 Ca 0.00 1.21 -0.13 0.00 -1.33 0.00 0.00 58.87 58.61 1kn0 n SER 119 Cb 0.00 -1.50 -0.07 0.00 -0.75 0.00 0.00 64.21 61.89 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 -1.05 -0.28 -0.02 0.66 -0.85 -1.26 0.36 117.35 114.91 1kn0 s TYR 120 Ca 0.56 0.33 -0.02 0.00 -0.52 0.00 0.00 57.07 57.42 1kn0 s TYR 120 Cb -0.56 0.20 0.01 0.00 0.38 0.00 0.00 41.96 41.99 1kn0 s TYR 120 CO 0.62 -0.52 0.06 -1.01 -1.52 0.00 0.00 175.55 173.18 1kn0 s HIS 121 N -1.98 -0.06 -0.01 -3.49 3.76 -0.32 -4.99 115.29 108.20 1kn0 s HIS 121 Ca -0.08 0.17 0.04 0.00 -0.15 0.00 0.00 55.06 55.04 1kn0 s HIS 121 Cb -0.02 -0.01 -0.01 0.00 1.11 0.00 0.00 32.58 33.65 1kn0 s HIS 121 CO 0.01 -0.04 -0.14 -2.00 -0.85 0.00 0.00 174.74 171.71 1kn0 s GLU 122 N 0.21 1.18 0.27 1.40 2.12 -1.26 -0.02 118.70 122.60 1kn0 s GLU 122 Ca -0.02 -0.52 -0.03 0.00 0.36 0.00 0.00 54.97 54.77 1kn0 s GLU 122 Cb -0.02 -1.14 -0.02 0.00 0.26 0.00 0.00 34.13 33.21 1kn0 s GLU 122 CO -0.01 0.31 0.32 0.34 -0.54 0.00 0.00 175.26 175.68 1kn0 s ASP 123 N -0.33 0.52 -0.05 -1.70 -1.08 -0.39 -4.93 116.67 108.71 1kn0 s ASP 123 Ca 0.05 -1.36 -0.05 0.00 -0.52 0.00 0.00 52.55 50.67 1kn0 s ASP 123 Cb -0.06 0.53 -0.04 0.00 -1.46 0.00 0.00 42.92 41.89 1kn0 s ASP 123 CO -0.01 -1.06 0.17 -0.69 0.52 0.00 0.00 175.17 174.11 1kn0 s VAL 124 N -3.74 5.45 0.16 1.11 1.01 -1.26 -1.23 120.40 121.90 1kn0 s VAL 124 Ca 0.33 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.41 1kn0 s VAL 124 Cb 0.03 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1kn0 s VAL 124 CO 0.16 0.44 -0.20 -0.83 0.00 0.00 0.00 175.10 174.67 1kn0 s GLY 125 N -1.57 1.44 0.02 4.51 0.00 0.17 -4.45 107.32 107.44 1kn0 s GLY 125 Ca 0.23 -1.49 0.04 0.00 0.00 0.00 0.00 44.72 43.50 1kn0 s GLY 125 CO 0.13 -1.52 -0.13 -0.47 0.00 0.00 0.00 173.10 171.11 1kn0 s TYR 126 N -1.82 1.12 0.02 1.90 5.04 -1.25 -0.52 117.35 121.84 1kn0 s TYR 126 Ca 0.15 -0.31 0.07 0.00 -2.44 0.00 0.00 57.07 54.55 1kn0 s TYR 126 Cb -0.07 -0.68 -0.02 0.00 0.35 0.00 0.00 41.96 41.53 1kn0 s TYR 126 CO 0.07 0.01 -0.22 0.20 -1.34 0.00 0.00 175.55 174.27 1kn0 s GLY 127 N -0.87 1.14 0.01 8.97 0.00 0.18 -3.67 107.32 113.08 1kn0 s GLY 127 Ca 0.02 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1kn0 s GLY 127 CO 0.01 -0.92 -0.02 0.14 0.00 0.00 0.00 173.10 172.31 1kn0 s VAL 128 N -0.67 0.11 -0.12 1.40 1.01 -1.26 -1.39 120.40 119.48 1kn0 s VAL 128 Ca 0.09 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 1kn0 s VAL 128 Cb -0.09 -0.15 0.06 0.00 0.00 0.00 0.00 36.38 36.20 1kn0 s VAL 128 CO 0.01 -0.13 0.18 -0.55 0.00 0.00 0.00 175.10 174.61 1kn0 s SER 129 N -0.47 0.90 0.00 3.32 0.15 -0.89 -4.56 113.70 112.14 1kn0 s SER 129 Ca -0.04 0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.83 1kn0 s SER 129 Cb -0.03 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1kn0 s SER 129 CO -0.00 -0.26 0.10 -0.62 1.20 0.00 0.00 173.24 173.66 1kn0 n GLU 130 N 5.33 5.08 -0.02 5.44 1.02 -1.26 -0.63 120.64 135.60 1kn0 n GLU 130 Ca -0.05 -0.10 -0.02 0.00 -0.02 0.00 0.00 57.16 56.97 1kn0 n GLU 130 Cb 0.50 -0.59 -0.01 0.00 -0.02 0.00 0.00 31.44 31.32 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 0.76 -0.36 0.00 0.62 0.00 -1.24 -4.58 105.19 100.38 1kn0 n GLY 131 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.03 0.00 0.06 0.99 4.77 -1.26 -3.60 117.00 114.92 1kn0 n LEU 132 Ca -0.03 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.04 1kn0 n LEU 132 Cb 0.12 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1kn0 n LEU 132 CO 0.05 0.00 -0.25 0.29 -1.33 0.00 0.00 177.39 176.15 1kn0 n LYS 133 N 0.00 0.62 -2.92 3.23 5.02 -1.26 -1.46 118.16 121.40 1kn0 n LYS 133 Ca 0.00 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.92 1kn0 n LYS 133 Cb 0.00 -1.74 -0.04 0.00 -0.02 0.00 0.00 35.03 33.23 1kn0 n LYS 133 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1kn0 s SER 134 N -5.19 6.89 0.02 4.39 0.15 -1.26 -4.78 113.70 113.92 1kn0 s SER 134 Ca -0.03 1.09 -0.25 0.00 0.70 0.00 0.00 55.95 57.46 1kn0 s SER 134 Cb 0.11 -2.44 -0.18 0.00 -1.71 0.00 0.00 66.02 61.80 1kn0 s SER 134 CO 0.83 -0.42 1.44 0.50 1.20 0.00 0.00 173.24 176.79 1kn0 h LYS 135 N 7.45 -0.02 0.02 5.44 3.64 -1.97 -1.53 116.57 129.60 1kn0 h LYS 135 Ca -0.28 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.14 1kn0 h LYS 135 Cb 1.12 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.89 1kn0 h LYS 135 CO 0.84 0.28 -0.39 0.00 -2.27 0.00 0.00 179.45 177.92 1kn0 h ALA 136 N 0.66 -0.61 -0.23 5.00 0.00 -2.00 -0.38 119.26 121.71 1kn0 h ALA 136 Ca -0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1kn0 h ALA 136 Cb 0.31 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1kn0 h ALA 136 CO 0.00 -0.92 0.15 -0.07 0.00 0.00 0.00 179.25 178.42 1kn0 h LEU 137 N -0.55 0.17 -0.24 0.00 4.07 -1.98 -0.64 115.31 116.14 1kn0 h LEU 137 Ca 0.05 -0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 1kn0 h LEU 137 Cb 0.63 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 1kn0 h LEU 137 CO -0.29 0.12 0.02 0.28 -1.08 0.00 0.00 178.44 177.49 1kn0 h SER 138 N 0.20 0.40 -0.05 -0.43 0.02 -0.04 -2.24 113.55 111.41 1kn0 h SER 138 Ca 0.09 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 1kn0 h SER 138 Cb 0.13 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 1kn0 h SER 138 CO -0.02 0.59 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.17 1kn0 h LEU 139 N 0.20 0.11 -0.73 5.07 3.38 -0.76 -2.40 115.31 120.18 1kn0 h LEU 139 Ca 0.07 -0.39 0.16 0.00 0.09 0.00 0.00 57.88 57.81 1kn0 h LEU 139 Cb 0.37 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 40.98 1kn0 h LEU 139 CO 0.01 0.48 0.12 -0.08 0.09 0.00 0.00 178.44 179.05 1kn0 h GLU 140 N -0.26 0.20 0.05 1.13 4.81 -1.16 0.28 114.58 119.63 1kn0 h GLU 140 Ca 0.01 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1kn0 h GLU 140 Cb 0.43 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1kn0 h GLU 140 CO 0.01 0.13 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.18 1kn0 h LYS 141 N 0.20 -0.06 -0.58 1.92 3.11 -1.33 -2.19 116.57 117.64 1kn0 h LYS 141 Ca 0.41 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 58.18 1kn0 h LYS 141 Cb 0.70 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.93 1kn0 h LYS 141 CO -0.55 0.08 0.07 0.00 -2.81 0.00 0.00 179.45 176.24 1kn0 h ALA 142 N 0.76 0.77 -0.15 5.00 0.00 -0.70 -1.09 119.26 123.85 1kn0 h ALA 142 Ca -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1kn0 h ALA 142 Cb 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1kn0 h ALA 142 CO 0.01 0.54 -0.01 0.00 0.00 0.00 0.00 179.25 179.79 1kn0 h ARG 143 N 0.87 0.28 -0.27 0.00 3.08 -0.50 -1.05 114.38 116.78 1kn0 h ARG 143 Ca 0.17 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1kn0 h ARG 143 Cb 0.45 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1kn0 h ARG 143 CO 0.02 0.52 0.11 0.87 -1.07 0.00 0.00 179.97 180.41 1kn0 h LYS 144 N 0.01 0.40 -0.79 0.04 1.57 -1.36 -2.71 116.57 113.73 1kn0 h LYS 144 Ca 0.04 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1kn0 h LYS 144 Cb 0.40 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 1kn0 h LYS 144 CO 0.01 0.43 0.45 0.93 -0.57 0.00 0.00 179.45 180.70 1kn0 h GLU 145 N 0.28 1.09 -0.58 3.15 5.08 -1.19 -2.41 114.58 120.00 1kn0 h GLU 145 Ca 0.09 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1kn0 h GLU 145 Cb 0.18 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 1kn0 h GLU 145 CO -0.01 0.79 0.30 0.00 -1.00 0.00 0.00 179.01 179.09 1kn0 h ALA 146 N 1.24 0.76 0.46 3.43 0.00 -1.02 0.18 119.26 124.31 1kn0 h ALA 146 Ca 0.28 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1kn0 h ALA 146 Cb 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1kn0 h ALA 146 CO -0.05 -0.05 -0.22 0.28 0.00 0.00 0.00 179.25 179.21 1kn0 h VAL 147 N 0.56 0.54 -0.75 0.00 2.07 -1.19 0.12 116.25 117.61 1kn0 h VAL 147 Ca 0.26 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.72 1kn0 h VAL 147 Cb 0.18 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 1kn0 h VAL 147 CO -0.18 0.01 0.50 0.74 0.02 0.00 0.00 177.57 178.66 1kn0 h THR 148 N -0.66 1.19 -0.64 2.57 2.02 -1.28 0.29 112.91 116.40 1kn0 h THR 148 Ca -0.06 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1kn0 h THR 148 Cb 0.50 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1kn0 h THR 148 CO 0.10 0.19 0.33 -0.78 0.37 0.00 0.00 175.52 175.73 1kn0 h ASP 149 N 1.02 0.81 -0.08 4.18 3.58 -0.50 -0.08 116.42 125.34 1kn0 h ASP 149 Ca 0.28 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 1kn0 h ASP 149 Cb -0.12 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 40.72 1kn0 h ASP 149 CO -0.06 0.67 0.00 1.23 -2.88 0.00 0.00 179.24 178.21 1kn0 h GLY 150 N 0.97 0.16 0.62 -0.78 0.00 0.74 -1.76 103.07 103.02 1kn0 h GLY 150 Ca 0.23 -0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.49 1kn0 h GLY 150 CO -0.03 0.10 0.09 -2.00 0.00 0.00 0.00 176.54 174.70 1kn0 h LEU 151 N -0.12 0.06 -0.25 3.11 5.85 0.04 -0.94 115.31 123.05 1kn0 h LEU 151 Ca 0.02 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1kn0 h LEU 151 Cb 0.33 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1kn0 h LEU 151 CO 0.00 0.07 0.16 0.11 -0.34 0.00 0.00 178.44 178.44 1kn0 h LYS 152 N 0.22 0.33 0.00 1.25 1.57 -0.99 -1.38 116.57 117.57 1kn0 h LYS 152 Ca 0.17 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1kn0 h LYS 152 Cb 0.17 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1kn0 h LYS 152 CO -0.20 0.24 -0.02 0.00 -0.57 0.00 0.00 179.45 178.90 1kn0 h ARG 153 N 0.32 0.00 -0.01 3.15 3.08 -0.90 -1.52 114.38 118.51 1kn0 h ARG 153 Ca 0.09 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.00 1kn0 h ARG 153 Cb -0.02 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.05 1kn0 h ARG 153 CO -0.02 0.02 -0.53 0.00 -1.07 0.00 0.00 179.97 178.37 1kn0 h ALA 154 N 1.98 0.08 -0.10 0.04 0.00 -0.62 -3.25 119.26 117.39 1kn0 h ALA 154 Ca -0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 1kn0 h ALA 154 Cb 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1kn0 h ALA 154 CO 0.00 0.30 -0.07 -0.07 0.00 0.00 0.00 179.25 179.42 1kn0 h LEU 155 N -0.16 0.13 -2.04 0.00 3.38 -0.88 -2.10 115.31 113.64 1kn0 h LEU 155 Ca -0.06 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.00 1kn0 h LEU 155 Cb 1.24 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 1kn0 h LEU 155 CO 0.10 0.23 0.29 0.03 0.09 0.00 0.00 178.44 179.18 1kn0 h ARG 156 N 0.15 0.00 0.00 1.13 3.08 -1.32 -1.28 114.38 116.13 1kn0 h ARG 156 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1kn0 h ARG 156 Cb 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1kn0 h ARG 156 CO 0.01 0.00 -0.02 0.77 -1.07 0.00 0.00 179.97 179.66 1kn0 h SER 157 N 0.00 0.00 1.52 7.04 0.02 -1.49 -2.39 113.55 118.24 1kn0 h SER 157 Ca 0.18 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1kn0 h SER 157 Cb 0.76 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 1kn0 h SER 157 CO -0.00 0.02 -0.21 -0.26 -1.14 0.00 0.00 176.83 175.24 1kn0 h PHE 158 N 0.00 0.00 0.00 3.45 0.05 -1.41 -3.49 116.94 115.54 1kn0 h PHE 158 Ca -0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1kn0 h PHE 158 Cb 0.10 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.05 1kn0 h PHE 158 CO 0.00 0.21 0.00 0.41 -0.18 0.00 0.00 178.31 178.75 1kn0 n GLY 159 N 0.84 0.07 0.27 -1.45 0.00 -0.90 -4.96 105.19 99.06 1kn0 n GLY 159 Ca 0.02 -1.54 -0.06 0.00 0.00 0.00 0.00 46.02 44.44 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 0.80 0.00 1.61 2.35 -1.52 -2.01 115.58 116.81 1kn0 h ASN 160 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1kn0 h ASN 160 Cb 0.00 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.17 1kn0 h ASN 160 CO 0.00 0.64 0.03 0.00 -1.65 0.00 0.00 177.43 176.46 1kn0 n ALA 161 N -2.32 0.98 -0.36 -0.83 0.00 -0.50 -0.39 120.51 117.09 1kn0 n ALA 161 Ca 0.05 0.12 0.05 0.00 0.00 0.00 0.00 53.44 53.67 1kn0 n ALA 161 Cb 0.07 -1.14 0.14 0.00 0.00 0.00 0.00 19.45 18.52 1kn0 n ALA 161 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1kn0 n LEU 162 N -1.96 2.90 0.00 0.00 4.77 -0.98 -4.92 117.00 116.81 1kn0 n LEU 162 Ca -0.01 -2.27 0.00 0.00 -0.03 0.00 0.00 56.01 53.70 1kn0 n LEU 162 Cb 0.05 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1kn0 n LEU 162 CO 0.06 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1kn0 n GLY 163 N -0.01 0.96 0.00 -0.72 0.00 0.48 -3.84 105.19 102.06 1kn0 n GLY 163 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.21 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 0.02 0.10 1.61 5.15 -0.79 -2.52 115.26 118.84 1kn0 n ASN 164 Ca 0.00 0.51 -0.18 0.00 -0.60 0.00 0.00 54.58 54.30 1kn0 n ASN 164 Cb 0.00 -0.51 -0.14 0.00 -0.53 0.00 0.00 39.78 38.59 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 0.09 0.13 0.08 0.00 6.09 -1.82 0.41 117.51 122.49 1kn0 h ILE 166 Ca -0.19 0.00 -0.29 0.00 -1.37 0.00 0.00 64.86 63.01 1kn0 h ILE 166 Cb 2.03 0.21 -0.02 0.00 0.47 0.00 0.00 36.82 39.51 1kn0 h ILE 166 CO 0.21 0.00 -1.48 -0.07 -3.07 0.00 0.00 178.15 173.73 1kn0 h LEU 167 N 0.00 0.26 -9.32 2.19 3.38 -1.76 -3.47 115.31 106.59 1kn0 h LEU 167 Ca 0.45 -0.37 -0.57 0.00 0.09 0.00 0.00 57.88 57.48 1kn0 h LEU 167 Cb 2.44 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 43.13 1kn0 h LEU 167 CO -0.00 1.31 1.17 -0.67 0.09 0.00 0.00 178.44 180.33 1kn0 n ASP 168 N -3.36 3.83 -0.08 -0.43 -0.08 0.14 -4.90 116.55 111.67 1kn0 n ASP 168 Ca -0.14 0.94 -0.11 0.00 -1.51 0.00 0.00 54.79 53.96 1kn0 n ASP 168 Cb 1.03 -1.45 -0.04 0.00 2.34 0.00 0.00 41.12 42.99 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 9.95 0.41 -0.89 -0.67 1.57 -1.89 -2.30 116.57 122.74 1kn0 h LYS 169 Ca -0.49 -0.12 0.10 0.00 -1.87 0.00 0.00 60.65 58.26 1kn0 h LYS 169 Cb 1.26 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.46 1kn0 h LYS 169 CO 0.94 0.57 0.58 -0.44 -0.57 0.00 0.00 179.45 180.53 1kn0 h ASP 170 N 0.19 0.80 0.23 0.86 3.32 -1.95 -1.37 116.42 118.51 1kn0 h ASP 170 Ca 0.07 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1kn0 h ASP 170 Cb 0.37 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1kn0 h ASP 170 CO 0.01 0.47 -0.11 0.22 -1.72 0.00 0.00 179.24 178.11 1kn0 h TYR 171 N 0.89 -0.29 -0.09 4.55 3.20 -1.82 -2.84 116.97 120.57 1kn0 h TYR 171 Ca 0.41 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.32 1kn0 h TYR 171 Cb 0.41 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.73 1kn0 h TYR 171 CO -0.00 -0.13 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.08 1kn0 h LEU 172 N -0.38 -0.74 -0.71 2.82 3.38 -0.71 -1.93 115.31 117.04 1kn0 h LEU 172 Ca -0.03 0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.19 1kn0 h LEU 172 Cb 0.29 0.32 -0.09 0.00 0.09 0.00 0.00 40.66 41.27 1kn0 h LEU 172 CO 0.05 -0.30 0.23 0.03 0.09 0.00 0.00 178.44 178.54 1kn0 h ARG 173 N -0.33 0.35 0.00 1.13 3.08 -1.38 0.61 114.38 117.84 1kn0 h ARG 173 Ca 0.09 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1kn0 h ARG 173 Cb 0.46 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1kn0 h ARG 173 CO -0.28 0.23 0.00 0.77 -1.07 0.00 0.00 179.97 179.62 1kn0 h SER 174 N 0.36 0.00 0.26 7.04 0.02 -1.11 -1.72 113.55 118.40 1kn0 h SER 174 Ca 0.39 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 61.02 1kn0 h SER 174 Cb 0.60 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.17 1kn0 h SER 174 CO -0.42 0.00 -1.36 -0.07 -1.14 0.00 0.00 176.83 173.84 1kn0 h LEU 175 N 0.00 0.81 -0.55 5.07 3.38 0.70 -3.30 115.31 121.43 1kn0 h LEU 175 Ca 0.00 -0.82 -0.07 0.00 0.09 0.00 0.00 57.88 57.08 1kn0 h LEU 175 Cb 0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1kn0 h LEU 175 CO 0.00 1.63 0.06 0.78 0.09 0.00 0.00 178.44 181.00 1kn0 h ASN 176 N 0.19 0.89 0.00 -0.43 2.35 -0.91 -2.49 115.58 115.19 1kn0 h ASN 176 Ca -0.22 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 1kn0 h ASN 176 Cb 2.05 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 40.18 1kn0 h ASN 176 CO 0.25 0.95 0.00 0.29 -1.65 0.00 0.00 177.43 177.27 1kn0 n LYS 177 N -4.33 0.41 -4.24 0.81 5.02 -0.96 -4.71 118.16 110.18 1kn0 n LYS 177 Ca 0.02 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.09 1kn0 n LYS 177 Cb 0.29 -1.24 -0.12 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 2.29 -0.53 -0.35 1.43 -0.94 -5.04 118.68 115.54 1kn0 s LEU 178 Ca 0.00 -0.66 -0.29 0.00 -1.03 0.00 0.00 54.13 52.15 1kn0 s LEU 178 Cb 0.00 -0.73 -0.11 0.00 0.03 0.00 0.00 46.19 45.38 1kn0 s LEU 178 CO 0.00 0.00 2.40 -2.65 0.23 0.00 0.00 176.35 176.34 1kn0 n PRO 179 N 1.16 0.94 -1.62 1.29 -0.02 -1.26 -4.78 135.00 130.70 1kn0 n PRO 179 Ca -0.20 0.12 -0.15 0.00 -2.02 0.00 0.00 63.50 61.25 1kn0 n PRO 179 Cb 0.54 -2.82 -0.11 0.00 -0.02 0.00 0.00 33.50 31.10 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 7.77 1.26 0.95 -0.52 3.00 -1.26 -4.88 118.95 125.27 1kn0 s ARG 180 Ca 1.09 -0.35 -0.11 0.00 -1.00 0.00 0.00 55.73 55.36 1kn0 s ARG 180 Cb -0.56 -4.97 0.14 0.00 0.00 0.00 0.00 34.95 29.56 1kn0 s ARG 180 CO 0.37 -5.34 0.96 0.00 0.00 0.00 0.00 175.30 171.28 1kn0 n GLN 181 N 8.26 -0.62 -3.85 5.12 10.64 -1.26 -5.02 117.38 130.64 1kn0 n GLN 181 Ca 0.42 -0.12 -0.29 0.00 -1.83 0.00 0.00 57.00 55.17 1kn0 n GLN 181 Cb 0.46 -2.24 -0.04 0.00 -0.86 0.00 0.00 30.24 27.57 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 -5.42 4.32 0.12 2.61 2.96 -1.26 -5.04 118.68 116.98 1kn0 s LEU 182 Ca 0.65 0.32 -0.28 0.00 -0.22 0.00 0.00 54.13 54.59 1kn0 s LEU 182 Cb -0.23 -3.03 -0.16 0.00 0.50 0.00 0.00 46.19 43.27 1kn0 s LEU 182 CO 0.61 0.09 0.61 -2.65 -1.32 0.00 0.00 176.35 173.69 1kn0 n PRO 183 N -0.07 0.00 -2.62 0.98 -0.02 -1.26 -4.90 135.00 127.11 1kn0 n PRO 183 Ca -0.05 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.01 1kn0 n PRO 183 Cb 0.52 -1.02 -0.03 0.00 -0.02 0.00 0.00 33.50 32.95 1kn0 n PRO 183 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1kn0 s LEU 184 N 1.84 4.42 0.07 2.45 2.01 -1.26 -5.01 118.68 123.20 1kn0 s LEU 184 Ca 0.64 1.84 -0.30 0.00 0.01 0.00 0.00 54.13 56.31 1kn0 s LEU 184 Cb -0.92 -3.58 -0.06 0.00 0.01 0.00 0.00 46.19 41.65 1kn0 s LEU 184 CO 0.50 -0.26 1.18 -0.70 1.01 0.00 0.00 176.35 178.08 1kn0 s GLU 185 N 0.60 4.45 -0.41 1.70 2.12 -1.26 -4.99 118.70 120.91 1kn0 s GLU 185 Ca 0.52 1.76 -0.19 0.00 0.36 0.00 0.00 54.97 57.42 1kn0 s GLU 185 Cb -0.25 -3.34 0.02 0.00 0.26 0.00 0.00 34.13 30.82 1kn0 s GLU 185 CO 0.30 -0.22 0.54 0.08 -0.54 0.00 0.00 175.26 175.42 1kn0 s VAL 186 N 0.91 4.96 -0.63 3.70 1.01 -1.26 -5.02 120.40 124.07 1kn0 s VAL 186 Ca 0.58 0.02 -0.28 0.00 0.00 0.00 0.00 61.98 62.30 1kn0 s VAL 186 Cb -0.29 -4.09 0.03 0.00 0.00 0.00 0.00 36.38 32.03 1kn0 s VAL 186 CO 0.30 -0.44 1.24 -0.62 0.00 0.00 0.00 175.10 175.58 1kn0 s ASP 187 N 1.88 6.33 -0.35 3.32 2.15 -1.26 -4.89 116.67 123.85 1kn0 s ASP 187 Ca 0.18 -0.07 0.03 0.00 0.43 0.00 0.00 52.55 53.12 1kn0 s ASP 187 Cb -0.15 -2.56 0.50 0.00 -0.30 0.00 0.00 42.92 40.41 1kn0 s ASP 187 CO 0.16 -1.62 1.71 0.18 -0.17 0.00 0.00 175.17 175.42 1kn0 n LEU 188 N 8.84 5.88 -0.03 -1.34 4.77 -1.26 -4.47 117.00 129.39 1kn0 n LEU 188 Ca 0.07 -3.12 -0.14 0.00 -0.03 0.00 0.00 56.01 52.79 1kn0 n LEU 188 Cb 0.49 -0.76 -0.11 0.00 -2.33 0.00 0.00 43.42 40.70 1kn0 n LEU 188 CO 0.71 0.93 0.47 0.71 -1.33 0.00 0.00 177.39 178.88 1kn0 h THR 189 N 0.77 1.55 -0.60 -5.08 1.35 -2.04 -3.24 112.91 105.61 1kn0 h THR 189 Ca 0.49 -1.78 -0.27 0.00 -0.55 0.00 0.00 66.41 64.29 1kn0 h THR 189 Cb 2.39 2.70 -0.16 0.00 -1.73 0.00 0.00 68.15 71.34 1kn0 h THR 189 CO 0.85 0.48 0.35 0.29 -0.25 0.00 0.00 175.52 177.24 1kn0 n LYS 190 N -4.63 2.13 -2.49 4.72 5.02 -1.26 -4.95 118.16 116.70 1kn0 n LYS 190 Ca -0.09 -1.96 -0.35 0.00 -2.02 0.00 0.00 58.31 53.88 1kn0 n LYS 190 Cb 0.42 -1.81 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 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 -2.13 2.94 0.07 7.82 0.00 -1.23 -4.96 121.76 124.27 1kn0 s ALA 191 Ca 0.37 0.69 -0.31 0.00 0.00 0.00 0.00 51.96 52.71 1kn0 s ALA 191 Cb 0.30 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 20.06 1kn0 s ALA 191 CO 0.08 -0.35 1.66 0.21 0.00 0.00 0.00 175.76 177.35 1kn0 s LYS 192 N -2.93 4.19 0.00 0.00 2.20 -1.26 -4.90 119.74 117.04 1kn0 s LYS 192 Ca 0.64 2.34 0.05 0.00 -0.36 0.00 0.00 55.97 58.65 1kn0 s LYS 192 Cb -0.20 -3.59 -0.03 0.00 -1.51 0.00 0.00 37.83 32.50 1kn0 s LYS 192 CO 0.25 -0.74 0.34 0.54 -0.36 0.00 0.00 175.35 175.38 1kn0 n ARG 193 N 5.56 3.85 -3.93 4.03 1.74 -1.26 -5.05 116.66 121.60 1kn0 n ARG 193 Ca 0.16 -0.23 -0.09 0.00 -0.77 0.00 0.00 57.85 56.92 1kn0 n ARG 193 Cb 0.40 -0.84 -0.07 0.00 -1.02 0.00 0.00 32.46 30.94 1kn0 n ARG 193 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1kn0 s GLN 194 N -1.20 1.13 0.03 5.56 1.03 -1.26 -5.11 119.66 119.85 1kn0 s GLN 194 Ca 0.03 -1.12 -0.29 0.00 0.04 0.00 0.00 55.36 54.02 1kn0 s GLN 194 Cb 0.04 0.38 -0.16 0.00 0.03 0.00 0.00 33.01 33.31 1kn0 s GLN 194 CO 0.17 -0.42 1.29 -0.44 -2.54 0.00 0.00 175.29 173.36 1kn0 h ASP 195 N 2.54 -0.88 -2.26 12.60 3.32 -2.05 -3.46 116.42 126.24 1kn0 h ASP 195 Ca -0.32 0.03 -0.60 0.00 0.02 0.00 0.00 57.03 56.17 1kn0 h ASP 195 Cb 1.23 0.23 0.17 0.00 0.22 0.00 0.00 39.33 41.18 1kn0 h ASP 195 CO 0.48 -0.57 -0.90 -0.11 -1.72 0.00 0.00 179.24 176.43 1kn0 n LEU 196 N -5.12 -2.23 -3.40 1.55 7.94 -1.26 -4.99 117.00 109.49 1kn0 n LEU 196 Ca -0.13 0.70 -0.26 0.00 -1.11 0.00 0.00 56.01 55.21 1kn0 n LEU 196 Cb 0.41 -0.95 -0.10 0.00 0.53 0.00 0.00 43.42 43.30 1kn0 n LEU 196 CO 0.31 -4.19 -0.29 -1.61 -1.11 0.00 0.00 177.39 170.50 1kn0 s GLU 197 N -1.32 0.75 0.20 1.96 0.41 -1.26 -5.03 118.70 114.41 1kn0 s GLU 197 Ca 0.61 -1.68 -0.12 0.00 -0.41 0.00 0.00 54.97 53.37 1kn0 s GLU 197 Cb -0.50 -1.27 0.25 0.00 -1.78 0.00 0.00 34.13 30.83 1kn0 s GLU 197 CO 0.62 -1.30 1.67 -1.35 -0.49 0.00 0.00 175.26 174.41 1kn0 h PRO 198 N 6.26 0.12 -0.41 0.39 0.11 -1.98 0.33 132.00 136.83 1kn0 h PRO 198 Ca 0.16 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.35 1kn0 h PRO 198 Cb 0.95 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 31.96 1kn0 h PRO 198 CO 0.30 0.08 -0.07 1.03 -0.21 0.00 0.00 178.00 179.13 1kn0 h SER 199 N 0.13 -0.32 0.34 -2.05 0.87 -2.00 -0.75 113.55 109.77 1kn0 h SER 199 Ca 0.29 0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.95 1kn0 h SER 199 Cb 0.46 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1kn0 h SER 199 CO -0.47 -0.11 -0.16 0.58 -0.53 0.00 0.00 176.83 176.13 1kn0 h VAL 200 N 0.03 0.52 -1.06 2.23 2.07 -1.73 -2.94 116.25 115.36 1kn0 h VAL 200 Ca 0.20 -0.70 0.35 0.00 0.82 0.00 0.00 66.70 67.36 1kn0 h VAL 200 Cb 0.30 0.80 -0.14 0.00 -1.52 0.00 0.00 31.29 30.72 1kn0 h VAL 200 CO -0.40 0.11 0.62 -0.08 0.02 0.00 0.00 177.57 177.84 1kn0 h GLU 201 N -0.92 0.25 0.61 1.57 4.57 -0.22 -1.34 114.58 119.10 1kn0 h GLU 201 Ca -0.05 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.09 1kn0 h GLU 201 Cb 0.52 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 29.06 1kn0 h GLU 201 CO 0.08 0.17 -0.29 1.49 -1.18 0.00 0.00 179.01 179.27 1kn0 h GLU 202 N 0.26 -0.79 -0.91 1.92 4.81 -1.14 -2.43 114.58 116.30 1kn0 h GLU 202 Ca 0.75 0.05 0.24 0.00 -0.13 0.00 0.00 59.36 60.27 1kn0 h GLU 202 Cb 1.87 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 31.37 1kn0 h GLU 202 CO -0.57 -0.53 0.63 0.00 -0.73 0.00 0.00 179.01 177.81 1kn0 h ALA 203 N -1.31 2.54 -0.04 2.92 0.00 -1.10 -1.23 119.26 121.04 1kn0 h ALA 203 Ca -0.08 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1kn0 h ALA 203 Cb 0.63 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1kn0 h ALA 203 CO 0.14 -0.82 -0.33 -0.09 0.00 0.00 0.00 179.25 178.15 1kn0 h ARG 204 N 0.19 0.29 -0.83 0.00 2.43 -1.33 -2.88 114.38 112.25 1kn0 h ARG 204 Ca 0.46 -0.26 0.07 0.00 -0.81 0.00 0.00 59.98 59.43 1kn0 h ARG 204 Cb 1.48 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 31.03 1kn0 h ARG 204 CO -0.10 0.93 0.54 -0.92 -1.51 0.00 0.00 179.97 178.92 1kn0 h TYR 205 N -0.26 0.93 0.00 2.20 3.20 -0.73 0.37 116.97 122.67 1kn0 h TYR 205 Ca -0.03 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1kn0 h TYR 205 Cb 1.02 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.98 1kn0 h TYR 205 CO 0.15 0.48 0.00 0.09 -1.64 0.00 0.00 178.16 177.24 1kn0 n ASN 206 N -4.49 0.00 -0.67 -2.11 3.02 -0.81 -2.60 115.26 107.60 1kn0 n ASN 206 Ca 0.13 -0.85 0.13 0.00 -0.03 0.00 0.00 54.58 53.96 1kn0 n ASN 206 Cb 0.22 -0.02 0.27 0.00 -0.61 0.00 0.00 39.78 39.64 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 -1.02 2.17 -0.63 6.41 2.88 0.13 -5.08 113.62 118.48 1kn0 n SER 207 Ca 0.21 -1.67 0.08 0.00 -1.33 0.00 0.00 58.87 56.16 1kn0 n SER 207 Cb 0.11 0.06 0.07 0.00 -0.75 0.00 0.00 64.21 63.69 1kn0 n SER 207 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81