#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knk s LYS 2 N 0.00 2.71 0.00 0.03 0.00 -1.20 -4.98 119.74 116.30 3knk s LYS 2 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 55.97 54.66 3knk s LYS 2 Cb 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 37.83 34.05 3knk s LYS 2 CO 0.00 -0.86 0.00 -0.85 0.00 0.00 0.00 175.35 173.64 3knk n GLU 3 N 4.96 0.00 0.00 1.78 0.00 -1.26 -2.98 120.64 123.15 3knk n GLU 3 Ca -0.11 0.25 0.00 0.00 0.00 0.00 0.00 57.16 57.30 3knk n GLU 3 Cb 0.44 -0.72 0.00 0.00 0.00 0.00 0.00 31.44 31.16 3knk n GLU 3 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3knk n VAL 4 N -2.03 0.00 0.00 3.84 0.24 -1.26 -4.83 118.33 114.29 3knk n VAL 4 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3knk n VAL 4 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3knk n VAL 4 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3knk n ALA 5 N 0.00 0.00 -3.59 2.33 0.00 -0.58 -4.98 120.51 113.69 3knk n ALA 5 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3knk n ALA 5 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3knk n ALA 5 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3knk s VAL 6 N 0.00 0.00 0.00 0.00 1.01 -1.26 -4.83 120.40 115.31 3knk s VAL 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3knk s VAL 6 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 3knk s VAL 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.10 3knk n TYR 7 N 1.88 0.00 0.00 5.22 9.36 -1.26 -3.22 117.16 129.14 3knk n TYR 7 Ca -0.16 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.06 3knk n TYR 7 Cb 0.56 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.27 3knk n TYR 7 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 3knk n GLN 8 N 0.00 0.00 -0.06 2.98 -0.06 -1.20 -4.31 117.38 114.73 3knk n GLN 8 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3knk n GLN 8 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 3knk n GLN 8 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 3knk n ILE 9 N 0.00 0.00 0.50 1.69 5.41 -1.14 -4.39 119.36 121.44 3knk n ILE 9 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.87 3knk n ILE 9 Cb 0.00 0.00 0.46 0.00 -0.71 0.00 0.00 39.64 39.39 3knk n ILE 9 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3knk n PRO 10 N 0.03 0.21 0.00 0.38 -0.04 -1.18 -3.52 135.00 130.88 3knk n PRO 10 Ca 0.00 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 3knk n PRO 10 Cb 0.00 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 3knk n PRO 10 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3knk n VAL 11 N -2.21 0.00 0.09 0.52 0.31 -1.26 -4.80 118.33 110.98 3knk n VAL 11 Ca 0.04 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.38 3knk n VAL 11 Cb 0.31 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.22 3knk n VAL 11 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3knk n LEU 12 N 0.00 0.09 -4.62 7.52 4.77 -1.26 -4.99 117.00 118.52 3knk n LEU 12 Ca 0.00 -0.31 -0.43 0.00 -0.03 0.00 0.00 56.01 55.24 3knk n LEU 12 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3knk n LEU 12 CO 0.00 0.02 0.86 -0.44 -1.33 0.00 0.00 177.39 176.50 3knk s SER 13 N -1.71 6.76 0.72 -1.43 0.01 -1.26 -4.99 113.70 111.79 3knk s SER 13 Ca 0.00 0.73 -0.06 0.00 1.31 0.00 0.00 55.95 57.94 3knk s SER 13 Cb 0.02 -2.50 0.09 0.00 0.21 0.00 0.00 66.02 63.84 3knk s SER 13 CO 0.13 -0.91 0.20 -2.65 0.41 0.00 0.00 173.24 170.43 3knk n PRO 14 N 6.92 -0.62 -1.62 12.44 -0.02 -1.26 -2.87 135.00 147.97 3knk n PRO 14 Ca 0.09 -0.33 -0.50 0.00 -2.02 0.00 0.00 63.50 60.74 3knk n PRO 14 Cb 0.48 -0.67 -0.05 0.00 -0.02 0.00 0.00 33.50 33.24 3knk n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3knk n SER 15 N -1.41 2.13 0.00 2.55 3.41 -1.26 -3.74 113.62 115.31 3knk n SER 15 Ca 0.03 1.11 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 3knk n SER 15 Cb 0.14 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 62.81 3knk n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3knk n GLY 16 N 2.76 1.37 0.00 5.00 0.00 -1.26 -4.86 105.19 108.19 3knk n GLY 16 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3knk n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knk n ARG 17 N 0.00 0.00 -3.83 1.61 1.74 -1.26 -4.19 116.66 110.72 3knk n ARG 17 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 3knk n ARG 17 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 3knk n ARG 17 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3knk s ARG 18 N -2.00 1.43 0.00 5.56 6.06 -1.26 -4.69 118.95 124.05 3knk s ARG 18 Ca 0.00 -0.99 0.00 0.00 -2.50 0.00 0.00 55.73 52.24 3knk s ARG 18 Cb 0.00 0.50 0.00 0.00 0.06 0.00 0.00 34.95 35.51 3knk s ARG 18 CO 0.00 -0.60 0.00 -0.85 -2.50 0.00 0.00 175.30 171.35 3knk n GLU 19 N -0.35 0.00 -4.04 5.12 0.00 -1.26 -1.53 120.64 118.58 3knk n GLU 19 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 56.95 3knk n GLU 19 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 32.03 3knk n GLU 19 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 3knk s LEU 20 N 0.00 0.85 0.00 -1.84 2.96 -1.26 -4.99 118.68 114.39 3knk s LEU 20 Ca 0.00 -1.42 0.00 0.00 -0.22 0.00 0.00 54.13 52.49 3knk s LEU 20 Cb 0.00 1.68 0.00 0.00 0.50 0.00 0.00 46.19 48.37 3knk s LEU 20 CO 0.00 -1.35 0.00 0.00 -1.32 0.00 0.00 176.35 173.68 3knk n ALA 21 N -0.56 0.00 0.28 5.97 0.00 -1.26 -4.45 120.51 120.49 3knk n ALA 21 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3knk n ALA 21 Cb 0.61 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.40 3knk n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knk h ALA 22 N -2.00 1.57 0.00 0.00 0.00 -1.96 0.65 119.26 117.53 3knk h ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3knk h ALA 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3knk h ALA 22 CO 0.00 -0.57 0.00 -0.40 0.00 0.00 0.00 179.25 178.28 3knk n ASP 23 N -2.45 0.74 -2.29 0.00 5.75 -1.26 -3.45 116.55 113.58 3knk n ASP 23 Ca -0.01 -1.38 -0.10 0.00 -0.01 0.00 0.00 54.79 53.29 3knk n ASP 23 Cb 0.65 -0.34 -0.03 0.00 -1.03 0.00 0.00 41.12 40.36 3knk n ASP 23 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3knk n LEU 24 N 0.18 0.00 -3.89 -2.12 7.99 0.23 -4.48 117.00 114.90 3knk n LEU 24 Ca 0.00 -1.38 -0.01 0.00 -0.01 0.00 0.00 56.01 54.61 3knk n LEU 24 Cb 0.18 0.57 -0.00 0.00 -0.11 0.00 0.00 43.42 44.06 3knk n LEU 24 CO 0.00 -0.22 0.42 -2.65 -1.51 0.00 0.00 177.39 173.43 3knk n PRO 25 N -0.35 0.00 0.00 3.23 -0.02 -1.16 -4.71 135.00 131.99 3knk n PRO 25 Ca -0.00 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3knk n PRO 25 Cb 0.27 -1.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 3knk n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3knk n ALA 26 N 3.41 0.00 -2.45 3.55 0.00 -1.22 -3.24 120.51 120.55 3knk n ALA 26 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.19 3knk n ALA 26 Cb 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.54 3knk n ALA 26 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3knk s GLU 27 N 0.00 1.62 -0.32 0.00 2.02 -1.26 -4.90 118.70 115.86 3knk s GLU 27 Ca 0.00 -1.59 0.03 0.00 0.02 0.00 0.00 54.97 53.43 3knk s GLU 27 Cb 0.00 -1.85 0.09 0.00 0.10 0.00 0.00 34.13 32.47 3knk s GLU 27 CO 0.00 0.38 0.04 0.96 0.02 0.00 0.00 175.26 176.65 3knk s ILE 28 N -1.96 2.03 -0.51 -1.63 -5.25 -1.26 -4.99 121.20 107.63 3knk s ILE 28 Ca 0.24 -2.08 -0.21 0.00 -0.99 0.00 0.00 60.65 57.61 3knk s ILE 28 Cb -0.07 -2.46 0.05 0.00 2.95 0.00 0.00 42.46 42.93 3knk s ILE 28 CO 0.12 -0.53 0.73 0.21 -1.79 0.00 0.00 174.94 173.68 3knk s ASN 29 N 1.05 6.28 0.14 4.36 2.47 -1.26 -4.92 114.94 123.06 3knk s ASN 29 Ca 0.08 -0.63 -0.23 0.00 0.42 0.00 0.00 52.86 52.49 3knk s ASN 29 Cb -0.19 -2.34 0.00 0.00 -1.45 0.00 0.00 41.25 37.27 3knk s ASN 29 CO -0.10 -0.98 1.63 -0.65 -3.72 0.00 0.00 177.10 173.28 3knk h PRO 30 N 9.08 -0.27 -0.27 0.43 0.11 -1.98 -2.18 132.00 136.91 3knk h PRO 30 Ca -0.27 0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.90 3knk h PRO 30 Cb 1.09 0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 3knk h PRO 30 CO 0.99 -0.18 -0.46 1.25 -0.21 0.00 0.00 178.00 179.39 3knk h HIS 31 N -0.28 -1.40 -1.09 0.65 2.76 -1.97 1.41 115.15 115.23 3knk h HIS 31 Ca 0.11 0.06 0.30 0.00 -2.20 0.00 0.00 60.37 58.65 3knk h HIS 31 Cb 0.45 0.65 -0.07 0.00 1.55 0.00 0.00 27.41 29.99 3knk h HIS 31 CO -0.36 -0.42 0.75 1.25 -1.30 0.00 0.00 177.93 177.85 3knk h LEU 32 N -0.38 0.21 0.02 0.26 6.46 -1.87 1.17 115.31 121.18 3knk h LEU 32 Ca 0.05 0.04 -0.26 0.00 -0.12 0.00 0.00 57.88 57.60 3knk h LEU 32 Cb 0.52 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.42 3knk h LEU 32 CO -0.46 0.04 -1.35 -0.07 -0.62 0.00 0.00 178.44 175.97 3knk h LEU 33 N 0.18 0.05 -0.86 2.25 4.07 -0.17 -2.98 115.31 117.85 3knk h LEU 33 Ca 0.57 -0.07 -0.11 0.00 0.08 0.00 0.00 57.88 58.35 3knk h LEU 33 Cb 1.87 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 43.58 3knk h LEU 33 CO -0.15 1.06 -0.34 -0.25 -1.08 0.00 0.00 178.44 177.68 3knk h TRP 34 N 0.01 0.50 -0.46 1.13 7.01 0.97 -2.07 115.95 123.05 3knk h TRP 34 Ca -0.15 -0.13 -0.10 0.00 2.11 0.00 0.00 58.89 60.63 3knk h TRP 34 Cb 1.90 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 28.83 3knk h TRP 34 CO 0.01 0.72 -0.09 0.93 -2.79 0.00 0.00 178.44 177.23 3knk h GLU 35 N 0.37 0.87 0.06 2.65 5.08 0.65 -2.50 114.58 121.75 3knk h GLU 35 Ca 0.04 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3knk h GLU 35 Cb 0.78 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3knk h GLU 35 CO 0.06 0.96 -0.03 0.28 -1.00 0.00 0.00 179.01 179.28 3knk h VAL 36 N 0.71 1.07 -0.18 3.13 2.07 -1.34 -2.54 116.25 119.17 3knk h VAL 36 Ca 0.12 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.27 3knk h VAL 36 Cb 0.62 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 3knk h VAL 36 CO 0.04 0.11 -0.25 0.58 0.02 0.00 0.00 177.57 178.07 3knk h VAL 37 N -0.27 0.39 -0.97 2.57 2.07 -1.38 0.12 116.25 118.79 3knk h VAL 37 Ca -0.01 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.76 3knk h VAL 37 Cb 0.23 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 3knk h VAL 37 CO 0.01 0.00 0.66 -0.09 0.02 0.00 0.00 177.57 178.17 3knk h ARG 38 N -0.29 0.22 -0.20 1.57 2.43 -1.40 0.20 114.38 116.90 3knk h ARG 38 Ca 0.11 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 3knk h ARG 38 Cb 0.47 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3knk h ARG 38 CO -0.34 0.14 -0.16 2.35 -1.51 0.00 0.00 179.97 180.45 3knk h TRP 39 N 0.22 0.54 0.03 2.20 7.01 -0.34 -2.83 115.95 122.77 3knk h TRP 39 Ca 0.50 -0.15 -0.00 0.00 2.11 0.00 0.00 58.89 61.34 3knk h TRP 39 Cb 1.55 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 28.50 3knk h TRP 39 CO -0.00 0.80 -0.01 1.96 -2.79 0.00 0.00 178.44 178.39 3knk h GLN 40 N 0.14 -0.03 0.00 2.65 4.20 -0.30 -2.80 115.11 118.96 3knk h GLN 40 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3knk h GLN 40 Cb 0.69 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.48 3knk h GLN 40 CO 0.04 0.27 0.00 1.28 -0.67 0.00 0.00 178.83 179.75 3knk n LEU 41 N -4.96 0.35 -0.13 1.46 4.77 -0.46 -2.98 117.00 115.05 3knk n LEU 41 Ca -0.08 0.63 -0.28 0.00 -0.03 0.00 0.00 56.01 56.25 3knk n LEU 41 Cb 0.17 -0.62 -0.10 0.00 -2.33 0.00 0.00 43.42 40.53 3knk n LEU 41 CO 0.33 -0.61 -1.37 0.00 -1.33 0.00 0.00 177.39 174.41 3knk n ALA 42 N -1.66 1.20 0.04 -1.18 0.00 -1.07 -3.92 120.51 113.92 3knk n ALA 42 Ca 0.01 -1.06 0.21 0.00 0.00 0.00 0.00 53.44 52.60 3knk n ALA 42 Cb 0.10 0.05 0.73 0.00 0.00 0.00 0.00 19.45 20.34 3knk n ALA 42 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3knk h LYS 43 N -0.86 0.00 0.00 0.00 2.10 -1.48 0.94 116.57 117.26 3knk h LYS 43 Ca -0.66 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 57.99 3knk h LYS 43 Cb 1.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.97 3knk h LYS 43 CO -0.37 0.00 -0.58 2.89 -2.00 0.00 0.00 179.45 179.39 3knk n ARG 44 N -3.90 0.14 -0.40 0.07 1.85 -1.16 -4.68 116.66 108.59 3knk n ARG 44 Ca 0.09 0.03 -0.29 0.00 -1.00 0.00 0.00 57.85 56.69 3knk n ARG 44 Cb 0.66 -1.58 0.26 0.00 -1.05 0.00 0.00 32.46 30.76 3knk n ARG 44 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3knk n ARG 45 N -1.79 -3.28 -3.64 2.89 0.63 0.32 -5.02 116.66 106.77 3knk n ARG 45 Ca 0.04 -0.95 -0.28 0.00 -0.92 0.00 0.00 57.85 55.75 3knk n ARG 45 Cb 0.39 -2.01 -0.16 0.00 0.45 0.00 0.00 32.46 31.12 3knk n ARG 45 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 3knk s ARG 46 N -4.47 0.32 -0.77 -0.14 3.52 -1.26 -4.89 118.95 111.26 3knk s ARG 46 Ca 0.66 -0.38 -0.09 0.00 -0.13 0.00 0.00 55.73 55.79 3knk s ARG 46 Cb -0.20 -1.77 -0.08 0.00 -1.56 0.00 0.00 34.95 31.35 3knk s ARG 46 CO 0.62 -0.77 1.94 0.41 -0.81 0.00 0.00 175.30 176.68 3knk n GLY 47 N 5.17 2.79 0.00 8.12 0.00 -1.24 -4.29 105.19 115.74 3knk n GLY 47 Ca -0.07 -0.86 0.10 0.00 0.00 0.00 0.00 46.02 45.20 3knk n GLY 47 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3knk n THR 48 N 4.76 0.00 -2.46 2.61 -2.24 -1.26 -2.97 114.28 112.73 3knk n THR 48 Ca 0.41 -0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.78 3knk n THR 48 Cb 0.19 0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 69.20 3knk n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3knk s ALA 49 N -3.00 3.41 -0.30 6.98 0.00 -1.26 -4.89 121.76 122.71 3knk s ALA 49 Ca 0.09 0.90 -0.09 0.00 0.00 0.00 0.00 51.96 52.85 3knk s ALA 49 Cb 0.16 -3.35 0.18 0.00 0.00 0.00 0.00 23.12 20.12 3knk s ALA 49 CO 0.83 -0.22 0.94 0.45 0.00 0.00 0.00 175.76 177.76 3knk s SER 50 N -0.54 -0.70 0.25 0.00 0.15 -1.25 -2.54 113.70 109.07 3knk s SER 50 Ca 0.47 0.36 0.04 0.00 0.70 0.00 0.00 55.95 57.52 3knk s SER 50 Cb -0.32 1.56 0.04 0.00 -1.71 0.00 0.00 66.02 65.59 3knk s SER 50 CO 0.39 -0.13 0.33 0.35 1.20 0.00 0.00 173.24 175.38 3knk n THR 51 N 5.41 0.00 -3.94 6.45 -2.24 -0.74 -4.99 114.28 114.23 3knk n THR 51 Ca -0.03 -0.86 -0.35 0.00 -2.27 0.00 0.00 64.05 60.54 3knk n THR 51 Cb 0.54 -0.71 -0.08 0.00 -2.10 0.00 0.00 70.33 67.97 3knk n THR 51 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3knk s LYS 52 N -3.13 3.82 0.47 -0.78 1.02 -1.26 -4.95 119.74 114.94 3knk s LYS 52 Ca 0.25 -0.27 -0.13 0.00 0.02 0.00 0.00 55.97 55.84 3knk s LYS 52 Cb -0.02 -3.22 -0.07 0.00 -0.52 0.00 0.00 37.83 34.00 3knk s LYS 52 CO 0.16 0.43 0.88 -0.08 -0.92 0.00 0.00 175.35 175.82 3knk s THR 53 N -0.05 4.69 0.56 2.17 -1.32 -1.26 -2.53 115.64 117.89 3knk s THR 53 Ca 0.08 0.85 0.43 0.00 -1.21 0.00 0.00 61.69 61.84 3knk s THR 53 Cb -0.12 -3.75 0.63 0.00 -1.51 0.00 0.00 72.50 67.75 3knk s THR 53 CO 0.01 -0.67 1.63 -0.09 -2.21 0.00 0.00 174.62 173.29 3knk h ARG 54 N 0.91 0.00 -0.17 7.08 2.43 -1.80 0.24 114.38 123.07 3knk h ARG 54 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3knk h ARG 54 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3knk h ARG 54 CO 0.63 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.50 3knk n GLY 55 N -1.83 0.92 0.26 2.80 0.00 -1.26 -3.88 105.19 102.19 3knk n GLY 55 Ca 0.34 -0.61 0.07 0.00 0.00 0.00 0.00 46.02 45.82 3knk n GLY 55 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3knk n GLU 56 N 0.99 1.97 -1.26 1.61 1.02 0.81 -4.99 120.64 120.78 3knk n GLU 56 Ca 0.17 -0.61 -0.31 0.00 -0.02 0.00 0.00 57.16 56.39 3knk n GLU 56 Cb 0.51 -1.19 0.10 0.00 -0.02 0.00 0.00 31.44 30.84 3knk n GLU 56 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3knk s VAL 57 N -1.78 3.24 0.04 2.62 1.01 -1.13 -4.91 120.40 119.49 3knk s VAL 57 Ca 0.10 0.40 -0.31 0.00 0.00 0.00 0.00 61.98 62.18 3knk s VAL 57 Cb 0.11 -2.90 -0.18 0.00 0.00 0.00 0.00 36.38 33.41 3knk s VAL 57 CO 0.38 -0.53 1.39 0.00 0.00 0.00 0.00 175.10 176.34 3knk h ALA 58 N -1.18 -0.94 -0.24 5.51 0.00 -1.94 -3.48 119.26 116.98 3knk h ALA 58 Ca -0.44 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.14 3knk h ALA 58 Cb 1.24 0.36 0.05 0.00 0.00 0.00 0.00 17.79 19.45 3knk h ALA 58 CO 0.52 -0.95 -0.57 0.66 0.00 0.00 0.00 179.25 178.91 3knk n TYR 59 N -5.44 -0.31 -2.66 0.00 4.02 -1.26 -5.02 117.16 106.49 3knk n TYR 59 Ca -0.13 0.17 -0.22 0.00 -0.01 0.00 0.00 57.90 57.70 3knk n TYR 59 Cb 0.39 -0.34 0.03 0.00 -0.02 0.00 0.00 39.34 39.41 3knk n TYR 59 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3knk s SER 60 N -0.24 5.37 0.01 7.72 0.15 -1.26 -5.05 113.70 120.40 3knk s SER 60 Ca 0.07 0.15 0.22 0.00 0.70 0.00 0.00 55.95 57.09 3knk s SER 60 Cb 0.02 -1.09 -0.23 0.00 -1.71 0.00 0.00 66.02 63.01 3knk s SER 60 CO 0.14 -1.09 0.69 0.61 1.20 0.00 0.00 173.24 174.78 3knk n GLY 61 N -2.36 -1.08 2.23 9.45 0.00 -1.26 -4.59 105.19 107.58 3knk n GLY 61 Ca 0.06 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 3knk n GLY 61 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3knk n ARG 62 N -2.15 0.00 -3.16 1.61 0.63 -1.26 -4.24 116.66 108.09 3knk n ARG 62 Ca -0.01 0.00 -0.45 0.00 -0.92 0.00 0.00 57.85 56.47 3knk n ARG 62 Cb 0.51 -0.74 -0.01 0.00 0.45 0.00 0.00 32.46 32.67 3knk n ARG 62 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3knk s LYS 63 N -1.49 3.96 0.00 -0.14 2.20 -1.26 -3.84 119.74 119.17 3knk s LYS 63 Ca 0.30 -2.66 0.00 0.00 -0.36 0.00 0.00 55.97 53.25 3knk s LYS 63 Cb -0.12 -4.73 0.00 0.00 -1.51 0.00 0.00 37.83 31.47 3knk s LYS 63 CO 0.61 -1.48 0.00 1.51 -0.36 0.00 0.00 175.35 175.63 3knk n ILE 64 N 3.94 0.00 -3.70 5.43 3.06 -0.92 -3.85 119.36 123.32 3knk n ILE 64 Ca 0.25 0.00 -0.17 0.00 -2.50 0.00 0.00 62.75 60.33 3knk n ILE 64 Cb 0.43 0.00 -0.17 0.00 0.54 0.00 0.00 39.64 40.45 3knk n ILE 64 CO 0.00 0.00 0.00 -1.66 -2.50 0.00 0.00 176.55 172.39 3knk s TRP 65 N -0.25 -0.03 0.00 9.51 -0.00 -1.26 -5.04 118.94 121.87 3knk s TRP 65 Ca 0.00 0.34 0.00 0.00 -0.00 0.00 0.00 56.10 56.44 3knk s TRP 65 Cb 0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 33.47 33.14 3knk s TRP 65 CO 0.00 -0.18 0.00 -2.30 -0.00 0.00 0.00 176.95 174.47 3knk n PRO 66 N 4.94 0.00 -0.54 3.25 -0.02 -1.25 -4.52 135.00 136.85 3knk n PRO 66 Ca -0.11 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.32 3knk n PRO 66 Cb 0.50 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.94 3knk n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3knk n GLN 67 N 0.00 0.00 0.00 -0.52 10.64 -1.26 -4.04 117.38 122.20 3knk n GLN 67 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3knk n GLN 67 Cb 0.00 -0.45 0.00 0.00 -0.86 0.00 0.00 30.24 28.93 3knk n GLN 67 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 3knk n LYS 68 N 2.22 0.00 0.00 2.61 3.00 -1.26 -4.99 118.16 119.73 3knk n LYS 68 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 3knk n LYS 68 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.19 3knk n LYS 68 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3knk n HIS 69 N 0.00 0.00 0.00 5.64 8.25 -1.26 -3.88 115.22 123.97 3knk n HIS 69 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3knk n HIS 69 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3knk n HIS 69 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3knk n THR 70 N -0.72 0.00 0.00 1.59 -2.24 -1.26 -4.90 114.28 106.75 3knk n THR 70 Ca 0.00 1.33 0.00 0.00 -2.27 0.00 0.00 64.05 63.11 3knk n THR 70 Cb 0.00 -2.04 0.00 0.00 -2.10 0.00 0.00 70.33 66.19 3knk n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3knk n GLY 71 N -0.93 1.25 3.89 3.38 0.00 -1.25 -5.10 105.19 106.43 3knk n GLY 71 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3knk n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3knk s ARG 72 N 0.00 0.31 0.64 1.61 1.81 -1.26 -5.05 118.95 117.01 3knk s ARG 72 Ca 0.00 -0.40 -0.11 0.00 -1.72 0.00 0.00 55.73 53.51 3knk s ARG 72 Cb 0.00 -1.81 0.16 0.00 -0.45 0.00 0.00 34.95 32.85 3knk s ARG 72 CO 0.00 -2.64 0.49 0.00 -0.68 0.00 0.00 175.30 172.47 3knk n ALA 73 N -3.93 -1.98 -2.65 2.13 0.00 -1.26 -4.91 120.51 107.92 3knk n ALA 73 Ca 0.15 -0.77 -0.20 0.00 0.00 0.00 0.00 53.44 52.62 3knk n ALA 73 Cb 0.59 -0.06 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 3knk n ALA 73 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3knk s ARG 74 N -4.13 3.24 -0.26 0.00 1.70 -1.26 -4.79 118.95 113.45 3knk s ARG 74 Ca 0.34 -0.90 -0.31 0.00 -0.47 0.00 0.00 55.73 54.39 3knk s ARG 74 Cb -0.04 -2.84 0.18 0.00 -0.57 0.00 0.00 34.95 31.68 3knk s ARG 74 CO 0.27 0.19 1.31 -1.01 -1.08 0.00 0.00 175.30 174.97 3knk s HIS 75 N -2.12 -0.08 0.00 5.89 3.76 -1.26 -5.07 115.29 116.42 3knk s HIS 75 Ca 0.41 0.11 0.00 0.00 -0.15 0.00 0.00 55.06 55.44 3knk s HIS 75 Cb -0.09 0.49 0.00 0.00 1.11 0.00 0.00 32.58 34.09 3knk s HIS 75 CO 0.31 -0.08 0.00 0.41 -0.85 0.00 0.00 174.74 174.53 3knk n GLY 76 N 0.42 0.47 3.74 -2.22 0.00 -1.26 -4.52 105.19 101.82 3knk n GLY 76 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3knk n GLY 76 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3knk s ASP 77 N -1.00 5.75 0.00 1.61 -4.77 -1.25 -2.16 116.67 114.84 3knk s ASP 77 Ca 0.00 0.24 0.00 0.00 -3.30 0.00 0.00 52.55 49.49 3knk s ASP 77 Cb 0.00 -1.81 0.00 0.00 -1.09 0.00 0.00 42.92 40.02 3knk s ASP 77 CO 0.00 0.33 0.21 2.30 0.70 0.00 0.00 175.17 178.71 3knk n ILE 78 N 2.46 0.00 1.73 2.11 -0.00 -1.26 -1.78 119.36 122.61 3knk n ILE 78 Ca -0.19 0.00 0.15 0.00 -0.00 0.00 0.00 62.75 62.72 3knk n ILE 78 Cb 0.54 -0.78 0.77 0.00 -0.00 0.00 0.00 39.64 40.17 3knk n ILE 78 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3knk n GLY 79 N -0.65 -0.78 3.71 3.28 0.00 -1.26 -2.90 105.19 106.60 3knk n GLY 79 Ca 0.00 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 3knk n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knk s ALA 80 N -2.13 3.19 0.00 4.61 0.00 -0.74 -0.90 121.76 125.79 3knk s ALA 80 Ca 0.41 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.89 3knk s ALA 80 Cb 0.21 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 20.03 3knk s ALA 80 CO 0.39 -0.18 0.00 -2.30 0.00 0.00 0.00 175.76 173.67 3knk n PRO 81 N 3.66 0.00 -0.31 0.00 -0.02 -1.25 -1.48 135.00 135.60 3knk n PRO 81 Ca 0.05 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.52 3knk n PRO 81 Cb 0.51 0.00 0.10 0.00 -0.02 0.00 0.00 33.50 34.09 3knk n PRO 81 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3knk n ILE 82 N -2.83 1.13 0.04 4.25 -5.35 -1.26 -4.33 119.36 111.01 3knk n ILE 82 Ca 0.00 -0.49 0.05 0.00 -0.27 0.00 0.00 62.75 62.05 3knk n ILE 82 Cb 0.00 -0.56 -0.08 0.00 -1.74 0.00 0.00 39.64 37.26 3knk n ILE 82 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3knk n PHE 83 N 0.13 0.00 0.00 4.28 0.99 -0.55 -5.00 117.46 117.31 3knk n PHE 83 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.57 3knk n PHE 83 Cb 0.65 -0.21 0.00 0.00 -1.00 0.00 0.00 39.48 38.92 3knk n PHE 83 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3knk n VAL 84 N -1.80 0.00 0.30 -4.37 0.31 -1.26 -4.18 118.33 107.33 3knk n VAL 84 Ca -0.02 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.50 3knk n VAL 84 Cb 0.26 0.00 0.93 0.00 -0.91 0.00 0.00 33.84 34.12 3knk n VAL 84 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3knk h GLY 85 N 0.00 0.00 -4.59 2.92 0.00 -1.93 -3.43 103.07 96.03 3knk h GLY 85 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 3knk h GLY 85 CO 0.00 0.00 0.50 0.61 0.00 0.00 0.00 176.54 177.65 3knk n GLY 86 N -0.74 0.54 3.18 4.60 0.00 -1.14 -4.85 105.19 106.78 3knk n GLY 86 Ca -0.02 0.45 -0.27 0.00 0.00 0.00 0.00 46.02 46.18 3knk n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knk n GLY 87 N 1.80 -3.45 3.89 -0.02 0.00 -0.08 -4.71 105.19 102.62 3knk n GLY 87 Ca 0.11 -1.45 -0.26 0.00 0.00 0.00 0.00 46.02 44.42 3knk n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knk s VAL 88 N -2.12 4.97 0.00 1.61 0.11 -1.05 -3.95 120.40 119.98 3knk s VAL 88 Ca 0.59 -0.88 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 3knk s VAL 88 Cb -0.11 -3.57 0.00 0.00 -1.53 0.00 0.00 36.38 31.17 3knk s VAL 88 CO 0.51 -0.12 0.00 0.52 -3.33 0.00 0.00 175.10 172.68 3knk n VAL 89 N -0.55 0.00 -2.15 2.04 0.31 -1.26 -4.06 118.33 112.66 3knk n VAL 89 Ca -0.08 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.95 3knk n VAL 89 Cb 0.55 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.43 3knk n VAL 89 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3knk s PHE 90 N 0.00 2.02 0.43 3.52 0.08 -1.26 -4.86 117.98 117.91 3knk s PHE 90 Ca 0.00 0.23 -0.02 0.00 0.12 0.00 0.00 56.93 57.26 3knk s PHE 90 Cb 0.00 -4.15 -0.03 0.00 -0.57 0.00 0.00 43.02 38.27 3knk s PHE 90 CO 0.00 -1.56 0.69 0.20 -0.10 0.00 0.00 175.22 174.45 3knk s GLY 91 N 6.81 1.44 0.64 4.36 0.00 -1.26 -5.03 107.32 114.28 3knk s GLY 91 Ca 0.66 -0.72 -0.17 0.00 0.00 0.00 0.00 44.72 44.49 3knk s GLY 91 CO 0.05 -0.59 1.15 2.56 0.00 0.00 0.00 173.10 176.26 3knk s PRO 92 N -4.57 2.83 0.33 2.90 0.04 -1.26 -4.80 135.00 130.47 3knk s PRO 92 Ca 0.45 1.58 0.07 0.00 0.04 0.00 0.00 61.00 63.14 3knk s PRO 92 Cb -0.10 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 3knk s PRO 92 CO 0.41 -1.26 -0.04 0.15 0.04 0.00 0.00 177.00 176.30 3knk s LYS 93 N -3.75 1.73 -0.52 4.56 -0.14 -1.24 -1.79 119.74 118.58 3knk s LYS 93 Ca 0.71 -1.91 -0.28 0.00 -1.36 0.00 0.00 55.97 53.13 3knk s LYS 93 Cb -0.24 -1.38 -0.00 0.00 -1.68 0.00 0.00 37.83 34.52 3knk s LYS 93 CO 0.37 0.02 1.63 -2.14 -0.76 0.00 0.00 175.35 174.48 3knk s PRO 94 N -3.71 3.12 -0.03 -1.68 0.02 -1.05 -4.60 135.00 127.07 3knk s PRO 94 Ca 0.32 0.73 0.01 0.00 0.02 0.00 0.00 61.00 62.08 3knk s PRO 94 Cb 0.05 -4.22 0.02 0.00 0.02 0.00 0.00 34.50 30.37 3knk s PRO 94 CO 0.15 -2.15 -0.04 -0.98 -0.33 0.00 0.00 177.00 173.66 3knk s ARG 95 N 5.98 0.60 0.12 5.54 1.70 -1.16 -4.98 118.95 126.76 3knk s ARG 95 Ca 0.63 -0.09 -0.31 0.00 -0.47 0.00 0.00 55.73 55.49 3knk s ARG 95 Cb -0.14 -0.64 -0.08 0.00 -0.57 0.00 0.00 34.95 33.51 3knk s ARG 95 CO 0.26 -0.04 1.43 0.34 -1.08 0.00 0.00 175.30 176.21 3knk s ASP 96 N 0.65 6.77 -0.05 -2.89 2.15 -1.26 -3.65 116.67 118.39 3knk s ASP 96 Ca -0.08 2.38 0.20 0.00 0.43 0.00 0.00 52.55 55.49 3knk s ASP 96 Cb -0.11 -2.59 -0.27 0.00 -0.30 0.00 0.00 42.92 39.65 3knk s ASP 96 CO -0.00 -0.70 0.44 -1.22 -0.17 0.00 0.00 175.17 173.52 3knk n TYR 97 N 4.05 0.16 -1.69 -5.34 4.01 -1.26 -4.97 117.16 112.12 3knk n TYR 97 Ca 0.12 0.05 -0.44 0.00 -0.16 0.00 0.00 57.90 57.47 3knk n TYR 97 Cb 0.41 -0.72 -0.03 0.00 -0.31 0.00 0.00 39.34 38.69 3knk n TYR 97 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3knk n SER 98 N -2.48 3.20 -3.80 7.72 3.41 -1.26 -4.70 113.62 115.71 3knk n SER 98 Ca -0.12 1.11 -0.13 0.00 -0.26 0.00 0.00 58.87 59.48 3knk n SER 98 Cb 0.75 -1.47 -0.11 0.00 -0.26 0.00 0.00 64.21 63.12 3knk n SER 98 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3knk s TYR 99 N 0.44 -0.22 0.12 7.33 -0.00 -1.26 -5.03 117.35 118.74 3knk s TYR 99 Ca 0.72 0.52 -0.31 0.00 -0.00 0.00 0.00 57.07 58.00 3knk s TYR 99 Cb -0.62 0.07 -0.08 0.00 -0.00 0.00 0.00 41.96 41.34 3knk s TYR 99 CO 0.43 -0.15 1.35 0.95 -0.00 0.00 0.00 175.55 178.12 3knk s THR 100 N -0.12 3.41 -0.11 -3.49 -4.23 -1.26 -5.01 115.64 104.83 3knk s THR 100 Ca -0.02 1.03 -0.02 0.00 -1.18 0.00 0.00 61.69 61.49 3knk s THR 100 Cb -0.02 -3.66 -0.03 0.00 1.34 0.00 0.00 72.50 70.13 3knk s THR 100 CO 0.01 0.09 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.94 3knk s LEU 101 N 0.91 3.41 -0.36 4.79 2.96 -1.26 -5.01 118.68 124.12 3knk s LEU 101 Ca 0.62 0.02 -0.32 0.00 -0.22 0.00 0.00 54.13 54.23 3knk s LEU 101 Cb -0.36 -1.79 -0.14 0.00 0.50 0.00 0.00 46.19 44.40 3knk s LEU 101 CO 0.31 0.30 1.41 -2.65 -1.32 0.00 0.00 176.35 174.40 3knk n PRO 102 N 2.67 0.00 0.00 0.98 -0.02 -1.26 -4.71 135.00 132.66 3knk n PRO 102 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 3knk n PRO 102 Cb 0.53 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.93 3knk n PRO 102 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3knk n LYS 103 N 4.54 0.00 -0.05 -0.52 4.81 -1.26 -1.14 118.16 124.54 3knk n LYS 103 Ca 0.34 0.34 -0.19 0.00 -0.87 0.00 0.00 58.31 57.92 3knk n LYS 103 Cb -0.03 -1.57 -0.13 0.00 0.02 0.00 0.00 35.03 33.32 3knk n LYS 103 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3knk h LYS 104 N 0.00 0.10 -0.86 1.64 1.79 -2.00 -3.34 116.57 113.90 3knk h LYS 104 Ca 0.00 -0.17 0.15 0.00 -2.18 0.00 0.00 60.65 58.46 3knk h LYS 104 Cb 0.14 0.06 -0.07 0.00 -1.58 0.00 0.00 32.23 30.79 3knk h LYS 104 CO 0.00 1.08 0.56 0.28 -1.08 0.00 0.00 179.45 180.29 3knk h VAL 105 N -0.74 0.80 0.00 0.50 2.07 -1.48 0.72 116.25 118.13 3knk h VAL 105 Ca -0.22 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3knk h VAL 105 Cb 1.39 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3knk h VAL 105 CO -0.04 0.11 0.00 0.54 0.02 0.00 0.00 177.57 178.20 3knk n ARG 106 N -4.54 0.09 -0.02 1.57 1.74 -1.13 -2.61 116.66 111.76 3knk n ARG 106 Ca 0.17 0.20 -0.02 0.00 -0.77 0.00 0.00 57.85 57.43 3knk n ARG 106 Cb 0.52 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.42 3knk n ARG 106 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3knk n LYS 107 N -1.41 3.20 0.00 5.56 5.02 0.20 -4.17 118.16 126.56 3knk n LYS 107 Ca 0.05 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3knk n LYS 107 Cb 0.16 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 3knk n LYS 107 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3knk n LYS 108 N -2.17 0.00 -0.10 1.97 4.76 0.16 -1.36 118.16 121.42 3knk n LYS 108 Ca -0.07 0.15 -0.07 0.00 -2.87 0.00 0.00 58.31 55.44 3knk n LYS 108 Cb 0.64 -1.13 -0.01 0.00 -1.84 0.00 0.00 35.03 32.70 3knk n LYS 108 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3knk h GLY 109 N 0.00 -0.19 -0.35 0.72 0.00 -1.77 5.27 103.07 106.75 3knk h GLY 109 Ca 0.00 0.37 0.15 0.00 0.00 0.00 0.00 47.33 47.86 3knk h GLY 109 CO 0.00 -0.21 -0.07 -2.00 0.00 0.00 0.00 176.54 174.26 3knk h LEU 110 N -0.24 -0.46 -0.03 3.11 7.12 -1.72 6.22 115.31 129.31 3knk h LEU 110 Ca 0.17 0.20 -0.24 0.00 0.13 0.00 0.00 57.88 58.14 3knk h LEU 110 Cb 0.52 0.37 0.02 0.00 -0.53 0.00 0.00 40.66 41.04 3knk h LEU 110 CO -0.50 -0.20 -0.91 0.00 -0.13 0.00 0.00 178.44 176.70 3knk h ALA 111 N 1.69 0.15 -0.24 1.25 0.00 -0.02 -3.19 119.26 118.90 3knk h ALA 111 Ca 0.37 -0.66 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 3knk h ALA 111 Cb 0.62 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3knk h ALA 111 CO -0.67 0.62 -0.12 1.98 0.00 0.00 0.00 179.25 181.06 3knk h MET 112 N 0.33 0.40 -0.17 0.00 1.85 1.73 -2.61 114.93 116.46 3knk h MET 112 Ca -0.11 -0.10 -0.15 0.00 -0.61 0.00 0.00 59.70 58.73 3knk h MET 112 Cb 1.57 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.56 3knk h MET 112 CO 0.18 0.52 -0.47 0.00 -0.40 0.00 0.00 176.91 176.74 3knk h ALA 113 N 1.51 0.29 -0.38 0.39 0.00 1.23 -2.76 119.26 119.55 3knk h ALA 113 Ca 0.07 -0.49 0.08 0.00 0.00 0.00 0.00 54.91 54.58 3knk h ALA 113 Cb 0.44 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 3knk h ALA 113 CO 0.02 0.45 -0.20 0.28 0.00 0.00 0.00 179.25 179.81 3knk h VAL 114 N 0.30 0.43 -0.12 0.00 2.07 -1.49 -2.07 116.25 115.36 3knk h VAL 114 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 3knk h VAL 114 Cb 1.09 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3knk h VAL 114 CO 0.10 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 177.56 3knk h ALA 115 N 1.11 -0.35 -2.25 1.67 0.00 -1.32 -2.30 119.26 115.82 3knk h ALA 115 Ca 0.19 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3knk h ALA 115 Cb 0.42 0.86 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3knk h ALA 115 CO -0.46 -0.42 0.00 -3.47 0.00 0.00 0.00 179.25 174.90 3knk n ASP 116 N -3.37 0.00 -0.18 0.00 2.03 -0.81 -1.24 116.55 112.97 3knk n ASP 116 Ca -0.01 0.12 0.18 0.00 0.52 0.00 0.00 54.79 55.60 3knk n ASP 116 Cb 0.08 0.00 0.33 0.00 -0.72 0.00 0.00 41.12 40.80 3knk n ASP 116 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 3knk n ARG 117 N -0.27 -0.03 0.06 -0.67 3.00 -1.02 0.38 116.66 118.11 3knk n ARG 117 Ca 0.00 0.75 -0.05 0.00 -0.00 0.00 0.00 57.85 58.55 3knk n ARG 117 Cb 0.00 -1.36 0.16 0.00 0.00 0.00 0.00 32.46 31.26 3knk n ARG 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3knk h ALA 118 N 1.07 0.96 0.00 5.13 0.00 -0.57 -1.85 119.26 123.99 3knk h ALA 118 Ca 0.47 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3knk h ALA 118 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3knk h ALA 118 CO -0.40 0.64 0.00 -2.13 0.00 0.00 0.00 179.25 177.36 3knk n ARG 119 N -3.99 0.62 -0.34 0.00 0.63 1.23 -0.17 116.66 114.64 3knk n ARG 119 Ca -0.02 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.94 3knk n ARG 119 Cb 0.52 -1.23 0.03 0.00 0.45 0.00 0.00 32.46 32.23 3knk n ARG 119 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3knk n GLU 120 N 0.01 0.39 -4.14 -0.14 1.02 -0.72 -5.00 120.64 112.07 3knk n GLU 120 Ca 0.00 -1.34 -0.34 0.00 -0.02 0.00 0.00 57.16 55.46 3knk n GLU 120 Cb 0.12 -0.75 -0.01 0.00 -0.02 0.00 0.00 31.44 30.77 3knk n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3knk n GLY 121 N -0.35 -0.44 0.06 0.62 0.00 0.76 -4.86 105.19 100.98 3knk n GLY 121 Ca 0.04 0.15 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 3knk n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3knk n LYS 122 N -4.45 1.86 -1.03 1.61 4.76 -1.09 -5.02 118.16 114.81 3knk n LYS 122 Ca 0.04 -0.01 -0.30 0.00 -2.87 0.00 0.00 58.31 55.17 3knk n LYS 122 Cb 0.51 -1.33 0.15 0.00 -1.84 0.00 0.00 35.03 32.52 3knk n LYS 122 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3knk s LEU 123 N -4.92 2.39 -0.26 -0.35 2.96 -1.23 -3.33 118.68 113.93 3knk s LEU 123 Ca -0.06 1.72 -0.09 0.00 -0.22 0.00 0.00 54.13 55.47 3knk s LEU 123 Cb 0.04 -4.13 0.11 0.00 0.50 0.00 0.00 46.19 42.71 3knk s LEU 123 CO 0.53 -2.79 0.57 -0.22 -1.32 0.00 0.00 176.35 173.13 3knk s LEU 124 N -6.35 -0.96 -0.84 -0.68 2.96 -0.45 -4.81 118.68 107.55 3knk s LEU 124 Ca 0.64 1.38 -0.20 0.00 -0.22 0.00 0.00 54.13 55.73 3knk s LEU 124 Cb -0.20 1.99 0.12 0.00 0.50 0.00 0.00 46.19 48.60 3knk s LEU 124 CO 0.58 -0.22 1.05 -0.76 -1.32 0.00 0.00 176.35 175.68 3knk s LEU 125 N 2.73 4.95 0.55 -0.68 2.01 -1.20 -2.18 118.68 124.86 3knk s LEU 125 Ca -0.05 -1.77 0.05 0.00 0.01 0.00 0.00 54.13 52.37 3knk s LEU 125 Cb -0.12 -2.39 0.04 0.00 0.01 0.00 0.00 46.19 43.73 3knk s LEU 125 CO -0.17 -1.15 0.36 0.68 1.01 0.00 0.00 176.35 177.09 3knk s VAL 126 N 2.96 1.55 0.00 -1.59 -7.23 -0.96 -3.22 120.40 111.91 3knk s VAL 126 Ca 0.28 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 3knk s VAL 126 Cb -0.09 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.75 3knk s VAL 126 CO -0.04 0.00 0.00 1.21 -0.31 0.00 0.00 175.10 175.96 3knk n GLU 127 N -1.73 0.00 0.16 4.82 4.07 -1.26 -2.15 120.64 124.55 3knk n GLU 127 Ca -0.04 0.00 0.18 0.00 -0.06 0.00 0.00 57.16 57.24 3knk n GLU 127 Cb 0.65 0.00 0.71 0.00 -0.06 0.00 0.00 31.44 32.74 3knk n GLU 127 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3knk h ALA 128 N 0.00 1.91 0.00 4.31 0.00 -1.79 -3.44 119.26 120.26 3knk h ALA 128 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3knk h ALA 128 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3knk h ALA 128 CO 0.00 -0.64 0.06 1.19 0.00 0.00 0.00 179.25 179.85 3knk n PHE 129 N -3.35 0.00 0.08 0.00 3.72 -1.26 -4.60 117.46 112.06 3knk n PHE 129 Ca 0.05 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.48 3knk n PHE 129 Cb 0.62 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 39.11 3knk n PHE 129 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3knk h ALA 130 N 0.44 0.65 -0.60 4.37 0.00 -1.99 -3.42 119.26 118.71 3knk h ALA 130 Ca 0.00 -0.58 -0.14 0.00 0.00 0.00 0.00 54.91 54.19 3knk h ALA 130 Cb 0.05 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3knk h ALA 130 CO 0.05 0.68 0.39 0.20 0.00 0.00 0.00 179.25 180.58 3knk s GLY 131 N -4.61 -0.52 0.00 0.00 0.00 -1.26 -4.87 107.32 96.07 3knk s GLY 131 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.84 3knk s GLY 131 CO 0.78 4.02 0.00 1.55 0.00 0.00 0.00 173.10 179.45 3knk n VAL 132 N 8.45 0.00 -0.67 1.40 3.14 -1.26 -4.77 118.33 124.62 3knk n VAL 132 Ca 0.43 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.57 3knk n VAL 132 Cb 0.45 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.26 3knk n VAL 132 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3knk n ASN 133 N 0.00 -3.53 -4.28 6.55 4.13 -1.26 -4.52 115.26 112.34 3knk n ASN 133 Ca 0.00 0.09 -0.12 0.00 1.68 0.00 0.00 54.58 56.23 3knk n ASN 133 Cb 0.00 -0.46 -0.08 0.00 -1.54 0.00 0.00 39.78 37.70 3knk n ASN 133 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3knk n GLY 134 N 2.34 -0.23 2.73 7.41 0.00 -1.21 -4.83 105.19 111.41 3knk n GLY 134 Ca -0.01 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 3knk n GLY 134 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3knk s LYS 135 N 7.15 0.12 0.36 1.61 2.47 -1.26 -4.79 119.74 125.39 3knk s LYS 135 Ca 0.54 0.19 0.26 0.00 -1.56 0.00 0.00 55.97 55.39 3knk s LYS 135 Cb -0.01 -1.20 1.27 0.00 -1.46 0.00 0.00 37.83 36.42 3knk s LYS 135 CO 0.14 -0.59 1.78 0.00 0.16 0.00 0.00 175.35 176.83 3knk h THR 136 N 6.35 0.00 -0.43 3.43 1.03 -1.86 0.12 112.91 121.54 3knk h THR 136 Ca -0.16 -0.10 -0.00 0.00 -0.01 0.00 0.00 66.41 66.14 3knk h THR 136 Cb 1.14 0.75 -0.02 0.00 -1.07 0.00 0.00 68.15 68.95 3knk h THR 136 CO 0.26 0.00 0.27 0.11 -0.01 0.00 0.00 175.52 176.14 3knk h LYS 137 N 0.00 0.58 0.67 0.00 1.79 -1.95 -1.24 116.57 116.42 3knk h LYS 137 Ca 0.00 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 3knk h LYS 137 Cb 0.14 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 30.68 3knk h LYS 137 CO 0.00 0.42 -0.32 0.93 -1.08 0.00 0.00 179.45 179.39 3knk h GLU 138 N 0.57 -0.87 -0.93 3.15 5.08 -1.16 -3.19 114.58 117.23 3knk h GLU 138 Ca 0.16 0.06 0.24 0.00 -1.00 0.00 0.00 59.36 58.81 3knk h GLU 138 Cb -0.02 0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 3knk h GLU 138 CO -0.03 -0.57 0.63 0.35 -1.00 0.00 0.00 179.01 178.40 3knk h PHE 139 N -1.22 0.36 0.00 4.33 3.57 -1.42 -2.88 116.94 119.68 3knk h PHE 139 Ca -0.09 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.42 3knk h PHE 139 Cb 0.70 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.33 3knk h PHE 139 CO 0.00 0.08 0.00 -0.11 -2.23 0.00 0.00 178.31 176.05 3knk n LEU 140 N -4.44 0.00 -0.35 0.59 -0.00 -0.47 -1.91 117.00 110.42 3knk n LEU 140 Ca 0.20 0.52 -0.09 0.00 -0.00 0.00 0.00 56.01 56.64 3knk n LEU 140 Cb 0.84 -0.02 -0.08 0.00 -0.00 0.00 0.00 43.42 44.16 3knk n LEU 140 CO 0.33 -0.02 0.40 0.00 -0.00 0.00 0.00 177.39 178.10 3knk n ALA 141 N -0.71 -0.53 -0.31 1.96 0.00 -1.13 0.36 120.51 120.14 3knk n ALA 141 Ca 0.00 0.71 0.17 0.00 0.00 0.00 0.00 53.44 54.32 3knk n ALA 141 Cb 0.00 -0.12 0.35 0.00 0.00 0.00 0.00 19.45 19.68 3knk n ALA 141 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3knk h TRP 142 N 0.00 0.43 0.00 0.00 7.01 -1.55 2.21 115.95 124.04 3knk h TRP 142 Ca 0.13 0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 3knk h TRP 142 Cb 0.34 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.37 3knk h TRP 142 CO -0.86 -0.26 -0.07 0.00 -2.79 0.00 0.00 178.44 174.46 3knk h ALA 143 N 1.84 1.67 0.02 2.65 0.00 0.61 -1.72 119.26 124.34 3knk h ALA 143 Ca 0.62 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.46 3knk h ALA 143 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3knk h ALA 143 CO -0.70 0.08 -0.01 -0.22 0.00 0.00 0.00 179.25 178.40 3knk h LYS 144 N 0.00 -0.03 -1.39 0.00 3.64 0.40 0.95 116.57 120.14 3knk h LYS 144 Ca -0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3knk h LYS 144 Cb 0.14 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3knk h LYS 144 CO 0.01 0.44 0.05 0.39 -2.27 0.00 0.00 179.45 178.08 3knk n GLU 145 N -4.88 1.10 0.00 1.90 -0.58 -0.32 -2.51 120.64 115.36 3knk n GLU 145 Ca -0.08 -0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.43 3knk n GLU 145 Cb 0.25 -1.09 0.00 0.00 -0.57 0.00 0.00 31.44 30.03 3knk n GLU 145 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3knk n ALA 146 N 0.78 1.25 0.00 0.62 0.00 -0.92 -4.97 120.51 117.27 3knk n ALA 146 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3knk n ALA 146 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3knk n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knk n GLY 147 N 1.56 0.95 3.40 0.00 0.00 -1.04 -5.07 105.19 104.99 3knk n GLY 147 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3knk n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3knk s LEU 148 N 0.00 4.47 0.00 0.99 1.43 0.30 -4.99 118.68 120.88 3knk s LEU 148 Ca 0.00 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 52.30 3knk s LEU 148 Cb 0.00 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.20 3knk s LEU 148 CO 0.00 -0.31 0.00 -0.90 0.23 0.00 0.00 176.35 175.37 3knk n ASP 149 N 4.99 0.00 0.00 2.29 5.68 -1.26 -2.94 116.55 125.32 3knk n ASP 149 Ca -0.13 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.16 3knk n ASP 149 Cb 0.47 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 3knk n ASP 149 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3knk n GLY 150 N 2.68 0.00 0.76 6.12 0.00 -1.26 -4.94 105.19 108.55 3knk n GLY 150 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 3knk n GLY 150 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3knk n SER 151 N 0.00 3.43 -3.67 1.61 3.41 -1.26 -4.87 113.62 112.27 3knk n SER 151 Ca 0.00 -2.58 -0.29 0.00 -0.26 0.00 0.00 58.87 55.73 3knk n SER 151 Cb 0.00 -0.40 -0.15 0.00 -0.26 0.00 0.00 64.21 63.40 3knk n SER 151 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3knk s GLU 152 N -2.05 0.54 0.07 4.33 2.02 -1.26 -5.11 118.70 117.24 3knk s GLU 152 Ca 0.33 -0.85 -0.37 0.00 0.02 0.00 0.00 54.97 54.10 3knk s GLU 152 Cb 0.24 -1.73 -0.18 0.00 0.10 0.00 0.00 34.13 32.56 3knk s GLU 152 CO 0.11 -0.97 1.20 -1.13 0.02 0.00 0.00 175.26 174.50 3knk n SER 153 N 4.99 0.95 -4.16 -0.19 3.41 -1.26 -4.73 113.62 112.62 3knk n SER 153 Ca -0.04 1.14 -0.31 0.00 -0.26 0.00 0.00 58.87 59.40 3knk n SER 153 Cb 0.42 -1.09 -0.17 0.00 -0.26 0.00 0.00 64.21 63.12 3knk n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3knk s VAL 154 N 0.20 1.88 -0.83 -3.33 1.01 0.14 -0.99 120.40 118.47 3knk s VAL 154 Ca 0.85 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 3knk s VAL 154 Cb -1.06 -1.65 0.16 0.00 0.00 0.00 0.00 36.38 33.84 3knk s VAL 154 CO 0.51 0.52 0.91 -0.22 0.00 0.00 0.00 175.10 176.82 3knk s LEU 155 N 0.60 5.81 -0.57 3.92 2.96 -0.31 0.27 118.68 131.36 3knk s LEU 155 Ca -0.14 -2.21 -0.27 0.00 -0.22 0.00 0.00 54.13 51.29 3knk s LEU 155 Cb -0.17 -2.31 0.03 0.00 0.50 0.00 0.00 46.19 44.25 3knk s LEU 155 CO 0.04 -0.87 1.12 -0.22 -1.32 0.00 0.00 176.35 175.10 3knk s LEU 156 N 1.65 3.64 -0.01 -0.68 2.96 -0.99 -2.82 118.68 122.44 3knk s LEU 156 Ca 0.23 -0.02 -0.10 0.00 -0.22 0.00 0.00 54.13 54.03 3knk s LEU 156 Cb -0.10 -3.08 -0.05 0.00 0.50 0.00 0.00 46.19 43.46 3knk s LEU 156 CO -0.07 -1.40 0.31 -0.69 -1.32 0.00 0.00 176.35 173.18 3knk s VAL 157 N 4.66 5.22 0.00 1.68 1.01 -0.27 -1.76 120.40 130.95 3knk s VAL 157 Ca 0.39 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.80 3knk s VAL 157 Cb -0.09 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3knk s VAL 157 CO 0.24 0.46 0.00 1.07 0.00 0.00 0.00 175.10 176.87 3knk n THR 158 N 1.45 0.00 0.18 3.92 5.66 -1.17 -2.98 114.28 121.34 3knk n THR 158 Ca -0.13 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 60.90 3knk n THR 158 Cb 0.53 0.00 0.31 0.00 -1.55 0.00 0.00 70.33 69.62 3knk n THR 158 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 3knk h GLY 159 N 0.00 0.00 -7.24 1.09 0.00 -1.91 -3.36 103.07 91.65 3knk h GLY 159 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3knk h GLY 159 CO 0.00 0.00 0.35 -2.01 0.00 0.00 0.00 176.54 174.88 3knk n ASN 160 N -3.71 1.13 -0.57 0.19 4.05 -1.26 -4.72 115.26 110.37 3knk n ASN 160 Ca -0.01 -1.48 0.00 0.00 0.45 0.00 0.00 54.58 53.54 3knk n ASN 160 Cb 0.51 -1.47 0.00 0.00 1.23 0.00 0.00 39.78 40.05 3knk n ASN 160 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 3knk n GLU 161 N 8.08 0.53 -0.02 1.20 1.02 -1.26 -0.51 120.64 129.68 3knk n GLU 161 Ca 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.60 3knk n GLU 161 Cb 0.39 -1.26 -0.03 0.00 -0.02 0.00 0.00 31.44 30.52 3knk n GLU 161 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3knk n LEU 162 N 0.31 0.89 0.09 -4.62 7.94 -1.26 -4.19 117.00 116.15 3knk n LEU 162 Ca 0.00 -0.01 0.05 0.00 -1.11 0.00 0.00 56.01 54.95 3knk n LEU 162 Cb 0.15 0.02 -0.01 0.00 0.53 0.00 0.00 43.42 44.10 3knk n LEU 162 CO 0.00 0.24 0.05 0.58 -1.11 0.00 0.00 177.39 177.16 3knk h VAL 163 N 0.00 0.35 0.36 1.96 2.07 -1.50 -3.09 116.25 116.40 3knk h VAL 163 Ca -0.11 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 65.79 3knk h VAL 163 Cb 1.23 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 3knk h VAL 163 CO -0.00 0.20 -0.33 -0.09 0.02 0.00 0.00 177.57 177.37 3knk h ARG 164 N 0.00 -0.65 -1.16 1.57 9.65 -1.01 -1.05 114.38 121.72 3knk h ARG 164 Ca -0.07 0.04 0.41 0.00 -1.10 0.00 0.00 59.98 59.27 3knk h ARG 164 Cb 1.30 0.15 -0.15 0.00 -1.39 0.00 0.00 29.97 29.88 3knk h ARG 164 CO 0.03 -0.44 0.70 0.00 2.80 0.00 0.00 179.97 183.06 3knk h ARG 165 N -0.68 0.09 0.22 0.20 2.47 -1.72 -2.19 114.38 112.77 3knk h ARG 165 Ca -0.05 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3knk h ARG 165 Cb 0.58 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.86 3knk h ARG 165 CO -0.02 0.06 -0.35 0.00 0.56 0.00 0.00 179.97 180.22 3knk h ALA 166 N 1.78 -0.94 0.01 0.04 0.00 -1.11 -3.32 119.26 115.72 3knk h ALA 166 Ca 0.82 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 55.49 3knk h ALA 166 Cb 2.32 0.66 0.01 0.00 0.00 0.00 0.00 17.79 20.78 3knk h ALA 166 CO -0.58 -1.00 -0.54 0.00 0.00 0.00 0.00 179.25 177.14 3knk h ALA 167 N -1.03 0.05 0.00 0.00 0.00 -1.25 -3.33 119.26 113.70 3knk h ALA 167 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3knk h ALA 167 Cb 0.55 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3knk h ALA 167 CO -0.12 0.29 0.00 -2.13 0.00 0.00 0.00 179.25 177.30 3knk n ARG 168 N -4.28 0.00 -0.33 0.00 0.63 -0.90 0.02 116.66 111.80 3knk n ARG 168 Ca -0.10 0.00 0.15 0.00 -0.92 0.00 0.00 57.85 56.97 3knk n ARG 168 Cb 0.65 0.00 0.37 0.00 0.45 0.00 0.00 32.46 33.93 3knk n ARG 168 CO 0.00 0.00 0.00 -0.97 -2.51 0.00 0.00 177.63 174.15 3knk h ASN 169 N 0.00 0.68 -2.85 6.15 -0.73 -1.82 -3.44 115.58 113.58 3knk h ASN 169 Ca 0.00 0.08 -0.56 0.00 1.87 0.00 0.00 56.30 57.69 3knk h ASN 169 Cb 0.00 -0.04 0.20 0.00 0.27 0.00 0.00 38.32 38.75 3knk h ASN 169 CO 0.00 0.25 -0.78 -0.11 -0.37 0.00 0.00 177.43 176.42 3knk n LEU 170 N -4.69 -1.13 -0.07 0.34 7.94 0.10 -4.96 117.00 114.53 3knk n LEU 170 Ca 0.22 0.50 -0.06 0.00 -1.11 0.00 0.00 56.01 55.57 3knk n LEU 170 Cb 0.62 -1.08 -0.02 0.00 0.53 0.00 0.00 43.42 43.46 3knk n LEU 170 CO 0.24 -3.92 -0.27 -0.65 -1.11 0.00 0.00 177.39 171.68 3knk h PRO 171 N -0.56 0.00 0.00 1.96 0.11 -1.86 -3.36 132.00 128.28 3knk h PRO 171 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3knk h PRO 171 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 3knk h PRO 171 CO 0.38 0.12 0.03 -2.67 -0.21 0.00 0.00 178.00 175.66 3knk n TRP 172 N -4.63 0.00 -3.30 0.65 4.27 -1.26 -4.34 117.44 108.83 3knk n TRP 172 Ca -0.08 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.14 3knk n TRP 172 Cb 0.26 -0.39 -0.06 0.00 -1.36 0.00 0.00 31.31 29.75 3knk n TRP 172 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 3knk s VAL 173 N -2.78 5.16 -0.81 -1.67 1.01 -1.26 0.24 120.40 120.30 3knk s VAL 173 Ca 0.00 0.93 0.02 0.00 0.00 0.00 0.00 61.98 62.92 3knk s VAL 173 Cb 0.00 -3.82 0.20 0.00 0.00 0.00 0.00 36.38 32.76 3knk s VAL 173 CO 0.00 0.26 0.66 0.52 0.00 0.00 0.00 175.10 176.55 3knk n VAL 174 N 4.07 2.42 -1.62 2.92 0.31 0.14 -4.83 118.33 121.73 3knk n VAL 174 Ca -0.06 -5.02 -0.42 0.00 -0.01 0.00 0.00 64.34 58.82 3knk n VAL 174 Cb 0.51 -2.28 0.00 0.00 -0.91 0.00 0.00 33.84 31.16 3knk n VAL 174 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 3knk n THR 175 N 2.09 2.25 -3.32 2.52 5.66 -1.26 -2.34 114.28 119.88 3knk n THR 175 Ca 0.21 -0.50 0.02 0.00 -3.05 0.00 0.00 64.05 60.74 3knk n THR 175 Cb 0.36 -1.21 -0.04 0.00 -1.55 0.00 0.00 70.33 67.89 3knk n THR 175 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3knk s LEU 176 N -0.42 -0.41 1.40 1.09 2.96 -0.72 -4.88 118.68 117.71 3knk s LEU 176 Ca 0.61 0.55 -0.22 0.00 -0.22 0.00 0.00 54.13 54.85 3knk s LEU 176 Cb -0.59 1.46 0.35 0.00 0.50 0.00 0.00 46.19 47.91 3knk s LEU 176 CO 0.59 -0.08 0.80 0.00 -1.32 0.00 0.00 176.35 176.34 3knk n ALA 177 N 4.84 -4.38 0.11 5.97 0.00 -1.26 -3.02 120.51 122.78 3knk n ALA 177 Ca -0.08 -1.79 -0.05 0.00 0.00 0.00 0.00 53.44 51.52 3knk n ALA 177 Cb 0.54 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 3knk n ALA 177 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3knk h PRO 178 N -3.48 -0.31 -1.54 0.00 0.11 -1.92 -3.29 132.00 121.56 3knk h PRO 178 Ca -0.38 0.02 0.45 0.00 0.11 0.00 0.00 66.00 66.20 3knk h PRO 178 Cb 1.24 0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.36 3knk h PRO 178 CO 0.23 -0.21 1.26 0.93 -0.21 0.00 0.00 178.00 180.01 3knk h GLU 179 N -0.62 0.00 -0.22 1.05 3.07 -1.95 0.24 114.58 116.16 3knk h GLU 179 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3knk h GLU 179 Cb 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 3knk h GLU 179 CO 0.05 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.07 3knk n GLY 180 N -1.83 0.06 3.62 -3.84 0.00 -1.24 -4.92 105.19 97.04 3knk n GLY 180 Ca 0.34 -0.26 -0.47 0.00 0.00 0.00 0.00 46.02 45.63 3knk n GLY 180 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3knk n LEU 181 N 0.15 2.22 -3.55 0.99 7.94 0.86 -4.94 117.00 120.67 3knk n LEU 181 Ca 0.09 1.14 -0.14 0.00 -1.11 0.00 0.00 56.01 55.99 3knk n LEU 181 Cb 0.20 -1.31 -0.05 0.00 0.53 0.00 0.00 43.42 42.79 3knk n LEU 181 CO 0.06 -0.94 0.32 0.54 -1.11 0.00 0.00 177.39 176.27 3knk s ASN 182 N 0.14 -0.49 0.06 1.96 2.20 -1.26 -5.06 114.94 112.48 3knk s ASN 182 Ca 0.71 0.26 0.12 0.00 -0.94 0.00 0.00 52.86 53.01 3knk s ASN 182 Cb -0.76 0.51 0.53 0.00 -2.00 0.00 0.00 41.25 39.52 3knk s ASN 182 CO 0.51 -0.72 1.37 0.52 -2.94 0.00 0.00 177.10 175.84 3knk n VAL 183 N 0.43 1.28 0.02 3.54 0.31 -1.26 -2.53 118.33 120.12 3knk n VAL 183 Ca -0.18 0.36 -0.21 0.00 -0.01 0.00 0.00 64.34 64.30 3knk n VAL 183 Cb 0.60 -1.23 -0.14 0.00 -0.91 0.00 0.00 33.84 32.16 3knk n VAL 183 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 3knk h TYR 184 N 0.00 0.49 -0.22 3.52 3.20 -1.95 -3.36 116.97 118.66 3knk h TYR 184 Ca 0.00 -0.35 -0.18 0.00 3.14 0.00 0.00 58.73 61.34 3knk h TYR 184 Cb 0.17 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 3knk h TYR 184 CO 0.00 1.48 -0.59 -0.44 -1.64 0.00 0.00 178.16 176.98 3knk h ASP 185 N -0.31 0.79 -0.18 -2.11 3.32 -1.95 -0.71 116.42 115.26 3knk h ASP 185 Ca -0.26 -0.44 0.05 0.00 0.02 0.00 0.00 57.03 56.40 3knk h ASP 185 Cb 1.74 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 40.99 3knk h ASP 185 CO 0.09 1.20 -0.41 0.40 -1.72 0.00 0.00 179.24 178.79 3knk h ILE 186 N 0.53 0.15 0.00 0.35 1.08 -1.65 -2.08 117.51 115.88 3knk h ILE 186 Ca 0.00 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.37 3knk h ILE 186 Cb 1.17 0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 3knk h ILE 186 CO 0.12 0.00 -0.58 0.58 -0.69 0.00 0.00 178.15 177.58 3knk h VAL 187 N -0.45 0.78 -0.91 1.67 2.07 -1.70 -3.22 116.25 114.49 3knk h VAL 187 Ca 0.09 -2.13 0.15 0.00 0.82 0.00 0.00 66.70 65.63 3knk h VAL 187 Cb 0.61 2.35 -0.09 0.00 -1.52 0.00 0.00 31.29 32.64 3knk h VAL 187 CO -0.43 0.44 0.51 -0.09 0.02 0.00 0.00 177.57 178.03 3knk h ARG 188 N 0.00 0.71 0.00 1.57 2.43 -0.54 -3.42 114.38 115.13 3knk h ARG 188 Ca -0.02 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3knk h ARG 188 Cb 1.38 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3knk h ARG 188 CO 0.06 0.47 0.00 0.25 -1.51 0.00 0.00 179.97 179.24 3knk n THR 189 N -4.80 0.00 0.00 0.20 -2.24 -0.84 -5.06 114.28 101.54 3knk n THR 189 Ca 0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 3knk n THR 189 Cb 0.44 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 3knk n THR 189 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3knk n GLU 190 N -0.45 1.67 -3.94 -0.78 1.02 -1.15 -4.94 120.64 112.07 3knk n GLU 190 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 3knk n GLU 190 Cb 0.00 -0.15 -0.15 0.00 -0.02 0.00 0.00 31.44 31.11 3knk n GLU 190 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3knk s ARG 191 N -0.11 1.59 -0.16 3.49 0.52 -0.16 -4.84 118.95 119.29 3knk s ARG 191 Ca 0.00 -1.10 -0.17 0.00 -0.52 0.00 0.00 55.73 53.94 3knk s ARG 191 Cb 0.00 -2.63 -0.04 0.00 0.52 0.00 0.00 34.95 32.80 3knk s ARG 191 CO 0.00 -0.65 0.43 -0.51 0.02 0.00 0.00 175.30 174.58 3knk s LEU 192 N 1.34 4.22 -0.09 2.53 1.43 -1.21 -1.16 118.68 125.74 3knk s LEU 192 Ca -0.04 0.67 -0.04 0.00 -1.03 0.00 0.00 54.13 53.69 3knk s LEU 192 Cb -0.19 -2.59 0.05 0.00 0.03 0.00 0.00 46.19 43.49 3knk s LEU 192 CO -0.08 -0.02 0.19 -0.69 0.23 0.00 0.00 176.35 175.98 3knk s VAL 193 N 0.88 -0.19 0.21 -1.59 1.01 -1.13 -1.34 120.40 118.25 3knk s VAL 193 Ca 0.22 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 3knk s VAL 193 Cb -0.15 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 3knk s VAL 193 CO 0.08 0.11 0.16 0.00 0.00 0.00 0.00 175.10 175.45 3knk s MET 194 N 1.82 1.26 0.00 2.72 0.23 -0.93 -1.11 119.30 123.29 3knk s MET 194 Ca -0.03 -1.63 0.00 0.00 -1.03 0.00 0.00 55.69 53.00 3knk s MET 194 Cb -0.12 0.29 0.00 0.00 -1.53 0.00 0.00 34.83 33.47 3knk s MET 194 CO -0.07 -0.42 0.00 -0.25 -2.03 0.00 0.00 175.02 172.25 3knk n ASP 195 N -0.35 -1.08 -0.08 -1.18 10.43 -1.16 -2.27 116.55 120.85 3knk n ASP 195 Ca 0.02 -0.44 -0.07 0.00 2.57 0.00 0.00 54.79 56.87 3knk n ASP 195 Cb 0.66 0.00 -0.15 0.00 1.84 0.00 0.00 41.12 43.47 3knk n ASP 195 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3knk n LEU 196 N 0.00 0.00 -0.30 0.64 4.77 -0.91 -3.05 117.00 118.15 3knk n LEU 196 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 3knk n LEU 196 Cb 0.00 0.41 0.56 0.00 -2.33 0.00 0.00 43.42 42.06 3knk n LEU 196 CO 0.00 0.41 0.88 -0.90 -1.33 0.00 0.00 177.39 176.45 3knk n ASP 197 N -2.63 0.90 -0.12 -1.43 5.75 -1.26 -2.24 116.55 115.51 3knk n ASP 197 Ca -0.27 -1.45 -0.16 0.00 -0.01 0.00 0.00 54.79 52.89 3knk n ASP 197 Cb 1.04 -0.03 -0.13 0.00 -1.03 0.00 0.00 41.12 40.97 3knk n ASP 197 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3knk n ALA 198 N -0.24 1.45 0.10 2.12 0.00 -1.25 -3.52 120.51 119.18 3knk n ALA 198 Ca 0.18 -1.16 -0.03 0.00 0.00 0.00 0.00 53.44 52.43 3knk n ALA 198 Cb 0.23 -0.12 0.18 0.00 0.00 0.00 0.00 19.45 19.74 3knk n ALA 198 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3knk h TRP 199 N 0.00 0.22 -0.34 0.00 7.01 -1.44 -2.22 115.95 119.19 3knk h TRP 199 Ca -0.57 -0.07 -0.17 0.00 2.11 0.00 0.00 58.89 60.18 3knk h TRP 199 Cb 1.98 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 28.99 3knk h TRP 199 CO 0.02 0.67 -0.47 1.49 -2.79 0.00 0.00 178.44 177.37 3knk h GLU 200 N 0.14 0.91 -0.10 2.65 4.81 -1.62 -2.11 114.58 119.26 3knk h GLU 200 Ca 0.00 -0.53 -0.04 0.00 -0.13 0.00 0.00 59.36 58.67 3knk h GLU 200 Cb 0.98 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 3knk h GLU 200 CO 0.08 1.17 -0.11 -0.24 -0.73 0.00 0.00 179.01 179.18 3knk h VAL 201 N 0.72 1.14 0.00 0.32 3.04 -1.56 -2.76 116.25 117.16 3knk h VAL 201 Ca 0.04 -0.62 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 3knk h VAL 201 Cb 1.07 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 3knk h VAL 201 CO 0.11 0.19 0.00 0.33 -1.01 0.00 0.00 177.57 177.19 3knk n PHE 202 N -4.33 0.00 0.00 3.17 7.35 -0.85 -3.57 117.46 119.23 3knk n PHE 202 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 3knk n PHE 202 Cb 0.23 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.06 3knk n PHE 202 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3knk n GLN 203 N 0.00 0.00 -0.33 -4.13 1.13 -0.84 0.31 117.38 113.53 3knk n GLN 203 Ca 0.00 0.00 0.26 0.00 -1.94 0.00 0.00 57.00 55.32 3knk n GLN 203 Cb 0.00 0.00 0.50 0.00 0.11 0.00 0.00 30.24 30.85 3knk n GLN 203 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 3knk h ASN 204 N 0.00 0.41 0.00 1.08 -0.73 -1.58 0.55 115.58 115.30 3knk h ASN 204 Ca 0.00 0.22 0.00 0.00 1.87 0.00 0.00 56.30 58.39 3knk h ASN 204 Cb 0.00 0.19 0.00 0.00 0.27 0.00 0.00 38.32 38.78 3knk h ASN 204 CO 0.00 -0.24 0.00 -1.14 -0.37 0.00 0.00 177.43 175.68 3knk n ARG 205 N -5.14 0.99 -3.38 6.67 0.63 0.93 -3.93 116.66 113.43 3knk n ARG 205 Ca 0.33 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 57.00 3knk n ARG 205 Cb 1.06 -1.25 -0.09 0.00 0.45 0.00 0.00 32.46 32.63 3knk n ARG 205 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 3knk n ILE 206 N -0.75 -0.75 -3.77 5.15 -5.35 0.19 -4.98 119.36 109.11 3knk n ILE 206 Ca 0.12 -3.75 -0.29 0.00 -0.27 0.00 0.00 62.75 58.56 3knk n ILE 206 Cb 0.05 -1.79 -0.16 0.00 -1.74 0.00 0.00 39.64 36.01 3knk n ILE 206 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3knk s GLY 207 N -0.47 0.95 0.00 3.28 0.00 -1.25 -4.90 107.32 104.93 3knk s GLY 207 Ca 0.33 -1.19 0.00 0.00 0.00 0.00 0.00 44.72 43.86 3knk s GLY 207 CO -0.17 1.41 0.00 0.61 0.00 0.00 0.00 173.10 174.95