#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knk n LYS 2 N 0.00 0.00 0.00 2.12 5.02 -1.26 -4.66 118.16 119.37 3knk n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3knk n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3knk n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knk n GLY 3 N 0.00 5.05 0.00 0.72 0.00 -1.25 -3.05 105.19 106.66 3knk n GLY 3 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3knk n GLY 3 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3knk n ILE 4 N 0.00 0.00 -2.53 -0.61 0.13 -1.10 -4.73 119.36 110.52 3knk n ILE 4 Ca 0.00 0.00 -0.34 0.00 -1.10 0.00 0.00 62.75 61.31 3knk n ILE 4 Cb 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 38.77 3knk n ILE 4 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 3knk s LEU 5 N 0.00 3.87 0.00 9.51 1.43 -1.26 -1.90 118.68 130.33 3knk s LEU 5 Ca 0.00 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.06 3knk s LEU 5 Cb 0.00 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.70 3knk s LEU 5 CO 0.00 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 176.41 3knk n GLY 6 N -0.16 2.50 3.09 -3.19 0.00 -0.41 -4.14 105.19 102.88 3knk n GLY 6 Ca 0.09 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 3knk n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3knk s VAL 7 N -2.98 0.70 -0.85 1.61 -7.23 -0.18 -1.97 120.40 109.50 3knk s VAL 7 Ca 0.00 -1.13 -0.18 0.00 -1.81 0.00 0.00 61.98 58.86 3knk s VAL 7 Cb 0.00 -0.74 0.14 0.00 0.56 0.00 0.00 36.38 36.34 3knk s VAL 7 CO 0.00 -0.33 1.00 -0.75 -0.31 0.00 0.00 175.10 174.71 3knk s LYS 8 N -1.60 3.50 0.00 4.82 2.20 -1.10 -2.30 119.74 125.26 3knk s LYS 8 Ca -0.07 -1.77 0.00 0.00 -0.36 0.00 0.00 55.97 53.76 3knk s LYS 8 Cb -0.10 -4.70 0.00 0.00 -1.51 0.00 0.00 37.83 31.52 3knk s LYS 8 CO 0.01 -1.66 0.66 1.55 -0.36 0.00 0.00 175.35 175.55 3knk n VAL 9 N 5.25 0.00 -2.72 4.02 3.14 -1.19 0.22 118.33 127.04 3knk n VAL 9 Ca 0.16 1.12 0.00 0.00 -2.96 0.00 0.00 64.34 62.66 3knk n VAL 9 Cb 0.48 -2.05 0.00 0.00 -1.06 0.00 0.00 33.84 31.21 3knk n VAL 9 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3knk n GLY 10 N -0.28 1.65 3.61 7.55 0.00 -1.26 -4.27 105.19 112.18 3knk n GLY 10 Ca 0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 3knk n GLY 10 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3knk s MET 11 N 0.46 0.82 0.00 1.61 0.23 -1.26 -0.39 119.30 120.76 3knk s MET 11 Ca 0.00 0.74 0.00 0.00 -1.03 0.00 0.00 55.69 55.40 3knk s MET 11 Cb 0.00 0.39 0.00 0.00 -1.53 0.00 0.00 34.83 33.69 3knk s MET 11 CO 0.00 -0.14 0.00 0.25 -2.03 0.00 0.00 175.02 173.10 3knk n THR 12 N 2.15 0.00 -4.57 3.16 -2.24 -0.55 -4.98 114.28 107.25 3knk n THR 12 Ca -0.15 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.36 3knk n THR 12 Cb 0.56 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.71 3knk n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3knk s ARG 13 N 0.62 2.03 -0.09 -0.78 1.70 -1.26 0.15 118.95 121.32 3knk s ARG 13 Ca 0.00 -2.26 -0.19 0.00 -0.47 0.00 0.00 55.73 52.81 3knk s ARG 13 Cb 0.00 -0.76 0.04 0.00 -0.57 0.00 0.00 34.95 33.66 3knk s ARG 13 CO 0.00 -0.50 0.46 0.96 -1.08 0.00 0.00 175.30 175.15 3knk s ILE 14 N -3.12 0.02 1.10 4.99 -4.36 0.74 -4.82 121.20 115.76 3knk s ILE 14 Ca 0.18 -0.18 -0.15 0.00 -0.26 0.00 0.00 60.65 60.24 3knk s ILE 14 Cb 0.01 -0.73 0.24 0.00 1.25 0.00 0.00 42.46 43.24 3knk s ILE 14 CO 0.12 -0.10 1.08 -0.36 0.24 0.00 0.00 174.94 175.92 3knk s PHE 15 N -0.70 1.44 -0.30 1.37 0.08 -1.26 -1.30 117.98 117.31 3knk s PHE 15 Ca -0.08 0.84 -0.05 0.00 0.12 0.00 0.00 56.93 57.76 3knk s PHE 15 Cb -0.03 -3.28 0.19 0.00 -0.57 0.00 0.00 43.02 39.32 3knk s PHE 15 CO 0.04 -3.41 0.83 1.03 -0.10 0.00 0.00 175.22 173.60 3knk s ARG 16 N -5.03 0.36 0.00 0.44 0.52 -1.26 -4.72 118.95 109.26 3knk s ARG 16 Ca 0.67 0.50 0.00 0.00 -0.52 0.00 0.00 55.73 56.39 3knk s ARG 16 Cb -0.17 0.26 0.00 0.00 0.52 0.00 0.00 34.95 35.56 3knk s ARG 16 CO 0.58 -0.53 0.00 -0.25 0.02 0.00 0.00 175.30 175.12 3knk n ASP 17 N 5.36 0.00 0.00 0.23 10.43 -1.26 -3.18 116.55 128.13 3knk n ASP 17 Ca 0.01 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.37 3knk n ASP 17 Cb 0.54 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.50 3knk n ASP 17 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3knk n ASP 18 N 2.49 0.00 -2.73 -2.24 -0.08 -1.26 -5.11 116.55 107.62 3knk n ASP 18 Ca 0.00 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.21 3knk n ASP 18 Cb 0.00 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.51 3knk n ASP 18 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 3knk n ARG 19 N 0.00 0.58 0.00 -0.67 1.85 -1.19 -5.08 116.66 112.14 3knk n ARG 19 Ca 0.00 -1.47 0.00 0.00 -1.00 0.00 0.00 57.85 55.38 3knk n ARG 19 Cb 0.00 -1.11 0.00 0.00 -1.05 0.00 0.00 32.46 30.30 3knk n ARG 19 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3knk n ALA 20 N 1.75 0.00 -2.01 2.89 0.00 -1.26 -4.63 120.51 117.25 3knk n ALA 20 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.18 3knk n ALA 20 Cb 0.64 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.03 3knk n ALA 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3knk s VAL 21 N 0.00 4.53 -0.15 0.00 -7.23 -0.42 -4.85 120.40 112.28 3knk s VAL 21 Ca 0.00 1.26 -0.07 0.00 -1.81 0.00 0.00 61.98 61.36 3knk s VAL 21 Cb 0.00 -3.70 -0.04 0.00 0.56 0.00 0.00 36.38 33.20 3knk s VAL 21 CO 0.00 -0.11 0.09 -2.16 -0.31 0.00 0.00 175.10 172.61 3knk s PRO 22 N -2.73 3.69 0.11 4.82 0.04 -1.26 -0.18 135.00 139.48 3knk s PRO 22 Ca 0.54 -0.26 0.10 0.00 0.04 0.00 0.00 61.00 61.41 3knk s PRO 22 Cb -0.12 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 3knk s PRO 22 CO 0.18 0.51 -0.24 0.14 0.04 0.00 0.00 177.00 177.62 3knk s VAL 23 N -0.28 1.99 -0.15 -0.36 -7.23 0.39 0.06 120.40 114.81 3knk s VAL 23 Ca 0.09 -1.64 -0.03 0.00 -1.81 0.00 0.00 61.98 58.60 3knk s VAL 23 Cb -0.12 -1.78 -0.02 0.00 0.56 0.00 0.00 36.38 35.02 3knk s VAL 23 CO 0.01 0.03 -0.06 0.28 -0.31 0.00 0.00 175.10 175.05 3knk s THR 24 N -1.10 3.67 0.31 5.32 -1.32 0.25 -1.48 115.64 121.28 3knk s THR 24 Ca 0.10 -0.44 -0.08 0.00 -1.21 0.00 0.00 61.69 60.06 3knk s THR 24 Cb -0.10 -2.60 -0.06 0.00 -1.51 0.00 0.00 72.50 68.23 3knk s THR 24 CO 0.05 0.49 0.62 -0.69 -2.21 0.00 0.00 174.62 172.88 3knk s VAL 25 N 0.44 4.92 0.00 5.08 1.01 0.48 -1.76 120.40 130.57 3knk s VAL 25 Ca -0.05 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.29 3knk s VAL 25 Cb -0.15 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3knk s VAL 25 CO 0.03 -0.30 0.00 -0.38 0.00 0.00 0.00 175.10 174.45 3knk n ILE 26 N -0.79 0.00 -2.66 2.22 2.08 -0.66 -3.17 119.36 116.37 3knk n ILE 26 Ca 0.00 0.00 0.01 0.00 0.56 0.00 0.00 62.75 63.33 3knk n ILE 26 Cb 0.53 0.00 0.01 0.00 -0.75 0.00 0.00 39.64 39.44 3knk n ILE 26 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 3knk s LEU 27 N 0.00 -0.03 -0.50 1.39 2.96 -0.97 -4.22 118.68 117.31 3knk s LEU 27 Ca 0.00 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 3knk s LEU 27 Cb 0.00 0.04 0.45 0.00 0.50 0.00 0.00 46.19 47.18 3knk s LEU 27 CO 0.00 -0.00 1.64 0.00 -1.32 0.00 0.00 176.35 176.66 3knk n ALA 28 N 3.39 5.73 -1.02 5.97 0.00 -1.16 -1.01 120.51 132.42 3knk n ALA 28 Ca 0.05 -3.66 -0.35 0.00 0.00 0.00 0.00 53.44 49.47 3knk n ALA 28 Cb 0.65 -1.11 0.08 0.00 0.00 0.00 0.00 19.45 19.08 3knk n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knk n GLY 29 N -0.80 -2.44 0.00 0.00 0.00 -1.25 -4.45 105.19 96.26 3knk n GLY 29 Ca 0.54 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3knk n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3knk n PRO 30 N -0.38 0.00 -3.81 1.61 -0.02 -1.26 -4.79 135.00 126.35 3knk n PRO 30 Ca 0.06 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.19 3knk n PRO 30 Cb 0.52 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.89 3knk n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3knk s PRO 32 N 0.87 4.46 0.34 0.00 0.02 -1.26 0.31 135.00 139.75 3knk s PRO 32 Ca 0.10 1.52 -0.27 0.00 0.02 0.00 0.00 61.00 62.37 3knk s PRO 32 Cb -0.22 -2.83 -0.09 0.00 0.02 0.00 0.00 34.50 31.37 3knk s PRO 32 CO -0.04 0.12 1.16 0.14 -0.33 0.00 0.00 177.00 178.05 3knk s VAL 33 N -1.49 3.23 -0.17 3.83 -7.23 -1.26 -2.24 120.40 115.08 3knk s VAL 33 Ca 0.51 1.15 0.21 0.00 -1.81 0.00 0.00 61.98 62.04 3knk s VAL 33 Cb -0.24 -3.69 0.47 0.00 0.56 0.00 0.00 36.38 33.48 3knk s VAL 33 CO 0.30 0.20 1.15 1.33 -0.31 0.00 0.00 175.10 177.77 3knk n VAL 34 N 0.64 1.08 0.00 1.32 0.24 0.12 -4.77 118.33 116.96 3knk n VAL 34 Ca 0.01 -2.46 0.00 0.00 -2.04 0.00 0.00 64.34 59.85 3knk n VAL 34 Cb 0.45 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 33.58 3knk n VAL 34 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3knk n GLN 35 N -0.29 0.00 -3.99 7.34 7.27 -1.23 -4.88 117.38 121.60 3knk n GLN 35 Ca 0.12 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.87 3knk n GLN 35 Cb 0.93 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 33.43 3knk n GLN 35 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3knk s ARG 36 N -3.76 1.72 0.12 3.69 0.52 -1.26 -0.44 118.95 119.53 3knk s ARG 36 Ca 0.00 -1.75 -0.31 0.00 -0.52 0.00 0.00 55.73 53.15 3knk s ARG 36 Cb 0.00 -3.20 -0.10 0.00 0.52 0.00 0.00 34.95 32.17 3knk s ARG 36 CO 0.00 -0.88 1.72 1.03 0.02 0.00 0.00 175.30 177.19 3knk s ARG 37 N 0.98 4.17 0.12 3.54 1.81 1.05 -4.85 118.95 125.77 3knk s ARG 37 Ca 0.06 2.46 0.10 0.00 -1.72 0.00 0.00 55.73 56.63 3knk s ARG 37 Cb -0.20 -3.49 -0.04 0.00 -0.45 0.00 0.00 34.95 30.78 3knk s ARG 37 CO -0.07 -0.76 -0.24 0.95 -0.68 0.00 0.00 175.30 174.51 3knk s THR 38 N 2.33 1.98 0.00 0.02 -4.23 -1.26 -0.67 115.64 113.82 3knk s THR 38 Ca 0.76 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 3knk s THR 38 Cb -0.44 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 71.62 3knk s THR 38 CO 0.34 -0.00 0.04 -2.65 -0.54 0.00 0.00 174.62 171.80 3knk n PRO 39 N 0.95 0.02 0.00 3.99 -0.02 -1.26 -0.75 135.00 137.92 3knk n PRO 39 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 3knk n PRO 39 Cb 0.53 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 3knk n PRO 39 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3knk n GLU 40 N 1.98 0.00 -0.10 -0.52 0.00 -1.26 -4.59 120.64 116.15 3knk n GLU 40 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 57.02 3knk n GLU 40 Cb 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.35 3knk n GLU 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3knk n LYS 41 N 0.00 0.62 0.00 3.44 5.02 -0.43 -4.72 118.16 122.09 3knk n LYS 41 Ca 0.00 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3knk n LYS 41 Cb 0.01 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 3knk n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3knk n ASP 42 N -3.05 2.08 -0.24 4.39 8.00 0.07 -4.96 116.55 122.84 3knk n ASP 42 Ca -0.36 -0.03 -0.03 0.00 0.71 0.00 0.00 54.79 55.08 3knk n ASP 42 Cb 0.91 0.49 -0.01 0.00 -0.02 0.00 0.00 41.12 42.48 3knk n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3knk n GLY 43 N 1.11 0.56 2.16 0.44 0.00 -0.27 -4.89 105.19 104.31 3knk n GLY 43 Ca 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 46.02 45.82 3knk n GLY 43 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3knk n TYR 44 N -2.62 0.55 -0.04 1.61 4.11 -1.26 -4.80 117.16 114.71 3knk n TYR 44 Ca -0.03 -1.32 0.00 0.00 -0.00 0.00 0.00 57.90 56.55 3knk n TYR 44 Cb 0.25 -0.12 0.00 0.00 -0.00 0.00 0.00 39.34 39.46 3knk n TYR 44 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 3knk n THR 45 N -0.10 0.00 -3.76 -3.48 -1.04 -1.24 -4.75 114.28 99.91 3knk n THR 45 Ca 0.05 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.93 3knk n THR 45 Cb 0.96 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 69.37 3knk n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3knk s ALA 46 N 0.00 -0.81 -0.25 2.41 0.00 0.16 -3.65 121.76 119.62 3knk s ALA 46 Ca 0.00 0.87 -0.09 0.00 0.00 0.00 0.00 51.96 52.74 3knk s ALA 46 Cb 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 3knk s ALA 46 CO 0.00 -0.16 0.12 0.08 0.00 0.00 0.00 175.76 175.79 3knk s VAL 47 N 0.04 4.78 -0.25 0.00 1.01 -1.23 0.34 120.40 125.09 3knk s VAL 47 Ca -0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.81 3knk s VAL 47 Cb -0.03 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 3knk s VAL 47 CO 0.01 0.32 0.35 -1.58 0.00 0.00 0.00 175.10 174.20 3knk s GLN 48 N 1.48 4.05 0.12 2.72 0.74 0.41 -2.41 119.66 126.76 3knk s GLN 48 Ca 0.06 0.03 0.05 0.00 0.05 0.00 0.00 55.36 55.55 3knk s GLN 48 Cb -0.15 -3.62 -0.04 0.00 1.10 0.00 0.00 33.01 30.30 3knk s GLN 48 CO 0.06 -0.20 0.01 -0.51 -0.55 0.00 0.00 175.29 174.10 3knk s LEU 49 N 1.83 3.44 0.37 3.68 1.02 -0.88 0.15 118.68 128.30 3knk s LEU 49 Ca 0.15 -0.23 0.08 0.00 0.02 0.00 0.00 54.13 54.14 3knk s LEU 49 Cb -0.15 -2.15 -0.02 0.00 0.02 0.00 0.00 46.19 43.88 3knk s LEU 49 CO 0.09 0.15 0.33 -0.83 0.02 0.00 0.00 176.35 176.11 3knk s GLY 50 N -2.52 1.94 0.20 -3.19 0.00 -0.95 -2.99 107.32 99.81 3knk s GLY 50 Ca 0.26 -1.76 -0.15 0.00 0.00 0.00 0.00 44.72 43.07 3knk s GLY 50 CO 0.19 -1.63 0.47 -0.12 0.00 0.00 0.00 173.10 172.01 3knk s PHE 51 N -2.38 0.04 0.22 1.90 2.19 -1.16 -4.03 117.98 114.77 3knk s PHE 51 Ca 0.44 -0.39 0.00 0.00 0.33 0.00 0.00 56.93 57.31 3knk s PHE 51 Cb -0.05 0.29 0.00 0.00 -1.31 0.00 0.00 43.02 41.95 3knk s PHE 51 CO 0.27 -0.89 0.00 -0.11 1.83 0.00 0.00 175.22 176.32 3knk n LEU 52 N -0.32 -0.48 0.00 6.12 7.94 -1.26 -3.28 117.00 125.72 3knk n LEU 52 Ca -0.08 0.96 0.00 0.00 -1.11 0.00 0.00 56.01 55.77 3knk n LEU 52 Cb 0.62 -0.87 0.00 0.00 0.53 0.00 0.00 43.42 43.70 3knk n LEU 52 CO 0.19 -0.59 0.00 -0.81 -1.11 0.00 0.00 177.39 175.07 3knk n PRO 53 N -2.47 0.00 0.00 1.96 -0.04 -1.26 -3.99 135.00 129.19 3knk n PRO 53 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 3knk n PRO 53 Cb 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.68 3knk n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3knk n GLN 54 N 0.00 1.94 0.00 0.54 10.64 -1.26 -3.21 117.38 126.03 3knk n GLN 54 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3knk n GLN 54 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 3knk n GLN 54 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3knk n ASN 55 N 0.00 0.00 -3.40 2.61 5.03 -1.26 -2.15 115.26 116.09 3knk n ASN 55 Ca 0.00 0.00 -0.10 0.00 0.87 0.00 0.00 54.58 55.35 3knk n ASN 55 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 3knk n ASN 55 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 3knk n PRO 56 N 0.00 0.00 -3.04 3.52 -0.02 -1.26 -3.49 135.00 130.71 3knk n PRO 56 Ca 0.00 -0.40 -0.21 0.00 -2.02 0.00 0.00 63.50 60.86 3knk n PRO 56 Cb 0.00 -1.69 0.01 0.00 -0.02 0.00 0.00 33.50 31.80 3knk n PRO 56 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3knk n LYS 57 N 4.79 -3.81 -0.67 -0.52 5.02 -1.26 -4.79 118.16 116.92 3knk n LYS 57 Ca 0.10 0.71 -0.06 0.00 -2.02 0.00 0.00 58.31 57.05 3knk n LYS 57 Cb 0.13 -5.47 -0.01 0.00 -0.02 0.00 0.00 35.03 29.66 3knk n LYS 57 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3knk n ARG 58 N -3.71 1.33 0.00 1.97 1.74 -1.23 -4.76 116.66 112.01 3knk n ARG 58 Ca -0.09 -0.52 0.00 0.00 -0.77 0.00 0.00 57.85 56.47 3knk n ARG 58 Cb 0.59 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 3knk n ARG 58 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3knk n VAL 59 N 1.33 0.00 -1.63 1.55 3.14 -1.26 -5.10 118.33 116.36 3knk n VAL 59 Ca 0.13 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.51 3knk n VAL 59 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.34 3knk n VAL 59 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 3knk n ASN 60 N 0.00 0.00 0.28 6.55 0.23 -1.26 -4.98 115.26 116.08 3knk n ASN 60 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.94 3knk n ASN 60 Cb 0.00 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.65 3knk n ASN 60 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 3knk h ARG 61 N 0.00 -0.71 -4.76 -3.83 2.43 -2.03 -3.25 114.38 102.23 3knk h ARG 61 Ca 0.00 0.05 -0.64 0.00 -0.81 0.00 0.00 59.98 58.57 3knk h ARG 61 Cb 0.00 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3knk h ARG 61 CO 0.00 -0.48 2.47 -0.35 -1.51 0.00 0.00 179.97 180.11 3knk n PRO 62 N -4.51 2.51 0.00 0.20 -0.04 -1.26 -4.45 135.00 127.46 3knk n PRO 62 Ca -0.09 -2.61 -0.17 0.00 -0.04 0.00 0.00 63.50 60.59 3knk n PRO 62 Cb 0.29 -3.32 -0.11 0.00 -0.04 0.00 0.00 33.50 30.32 3knk n PRO 62 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3knk h LEU 63 N 12.40 0.52 -2.96 1.53 6.46 -1.95 -3.49 115.31 127.81 3knk h LEU 63 Ca 0.47 -0.77 -0.21 0.00 -0.12 0.00 0.00 57.88 57.24 3knk h LEU 63 Cb 0.74 -0.16 0.01 0.00 -0.73 0.00 0.00 40.66 40.52 3knk h LEU 63 CO 1.71 1.22 -0.80 1.17 -0.62 0.00 0.00 178.44 181.12 3knk n LYS 64 N -4.22 -2.01 -0.40 1.25 4.81 -1.26 -4.86 118.16 111.47 3knk n LYS 64 Ca -0.10 1.64 0.11 0.00 -0.87 0.00 0.00 58.31 59.08 3knk n LYS 64 Cb 0.68 -3.86 0.31 0.00 0.02 0.00 0.00 35.03 32.17 3knk n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3knk n GLY 65 N -0.54 2.60 0.51 3.14 0.00 -1.26 -4.57 105.19 105.09 3knk n GLY 65 Ca -0.02 -0.76 0.36 0.00 0.00 0.00 0.00 46.02 45.59 3knk n GLY 65 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3knk n HIS 66 N 1.40 0.00 -4.15 1.61 -0.00 -1.26 -4.09 115.22 108.73 3knk n HIS 66 Ca 0.23 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.68 3knk n HIS 66 Cb 0.65 -0.33 -0.07 0.00 -0.00 0.00 0.00 29.99 30.25 3knk n HIS 66 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3knk s PHE 67 N -4.27 2.97 0.28 1.57 0.40 -1.26 -5.02 117.98 112.64 3knk s PHE 67 Ca -0.03 -0.08 0.06 0.00 -0.60 0.00 0.00 56.93 56.28 3knk s PHE 67 Cb 0.18 -1.45 0.39 0.00 0.51 0.00 0.00 43.02 42.65 3knk s PHE 67 CO 0.59 0.51 1.66 0.00 0.70 0.00 0.00 175.22 178.69 3knk h ALA 68 N 2.70 1.03 0.00 5.36 0.00 -1.95 -3.09 119.26 123.31 3knk h ALA 68 Ca -0.47 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 53.99 3knk h ALA 68 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3knk h ALA 68 CO 0.60 0.63 0.00 0.87 0.00 0.00 0.00 179.25 181.35 3knk h LYS 69 N 0.20 0.00 0.00 0.00 1.57 -1.89 -3.17 116.57 113.28 3knk h LYS 69 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3knk h LYS 69 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3knk h LYS 69 CO 0.07 0.00 0.22 0.00 -0.57 0.00 0.00 179.45 179.17 3knk n ALA 70 N -1.99 0.41 -0.77 3.86 0.00 -1.17 -4.53 120.51 116.32 3knk n ALA 70 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3knk n ALA 70 Cb 0.12 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.22 3knk n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knk n GLY 71 N -1.01 0.00 0.94 0.00 0.00 -1.20 -1.47 105.19 102.45 3knk n GLY 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3knk n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knk n VAL 72 N 2.72 -1.25 -1.15 1.61 0.31 -1.26 -5.00 118.33 114.31 3knk n VAL 72 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 3knk n VAL 72 Cb 0.20 -2.50 -0.00 0.00 -0.91 0.00 0.00 33.84 30.63 3knk n VAL 72 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3knk n GLU 73 N -0.19 0.00 -2.53 5.55 4.07 -0.54 -4.65 120.64 122.35 3knk n GLU 73 Ca 0.00 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.70 3knk n GLU 73 Cb 0.00 -0.89 -0.05 0.00 -0.06 0.00 0.00 31.44 30.45 3knk n GLU 73 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3knk s PRO 74 N -0.89 4.59 0.00 5.31 0.04 -1.24 -4.15 135.00 138.66 3knk s PRO 74 Ca 0.53 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.27 3knk s PRO 74 Cb -0.57 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 30.88 3knk s PRO 74 CO 0.56 0.20 0.04 0.28 0.04 0.00 0.00 177.00 178.12 3knk n VAL 75 N 1.01 0.00 -1.66 -0.36 0.31 -0.91 -4.32 118.33 112.40 3knk n VAL 75 Ca -0.00 0.54 -0.50 0.00 -0.01 0.00 0.00 64.34 64.37 3knk n VAL 75 Cb 0.46 -1.51 -0.05 0.00 -0.91 0.00 0.00 33.84 31.82 3knk n VAL 75 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3knk n ARG 76 N -0.05 1.77 0.00 5.55 3.00 -1.25 -4.90 116.66 120.78 3knk n ARG 76 Ca 0.00 0.64 0.00 0.00 -0.01 0.00 0.00 57.85 58.48 3knk n ARG 76 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 32.46 30.07 3knk n ARG 76 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 3knk n ILE 77 N 3.88 0.00 -3.32 0.55 5.41 -1.26 -3.60 119.36 121.02 3knk n ILE 77 Ca 0.20 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.84 3knk n ILE 77 Cb 0.24 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.11 3knk n ILE 77 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 3knk s LEU 78 N 0.00 -0.54 0.70 1.39 2.34 -1.26 -2.97 118.68 118.34 3knk s LEU 78 Ca 0.00 -1.13 -0.10 0.00 0.06 0.00 0.00 54.13 52.96 3knk s LEU 78 Cb 0.00 0.98 0.03 0.00 -0.56 0.00 0.00 46.19 46.64 3knk s LEU 78 CO 0.00 -0.26 1.07 -0.13 -1.06 0.00 0.00 176.35 175.96 3knk s ARG 79 N 1.79 2.67 0.47 1.48 3.00 -1.16 -4.78 118.95 122.42 3knk s ARG 79 Ca 0.15 0.26 0.07 0.00 0.00 0.00 0.00 55.73 56.22 3knk s ARG 79 Cb -0.12 -2.07 0.01 0.00 0.00 0.00 0.00 34.95 32.77 3knk s ARG 79 CO -0.11 -1.08 0.46 -1.21 0.00 0.00 0.00 175.30 173.35 3knk s GLU 80 N -5.32 2.44 0.00 3.54 2.02 -1.26 -2.06 118.70 118.06 3knk s GLU 80 Ca 0.58 -1.66 0.00 0.00 0.02 0.00 0.00 54.97 53.91 3knk s GLU 80 Cb -0.11 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.76 3knk s GLU 80 CO 0.50 -0.41 0.12 -0.89 0.02 0.00 0.00 175.26 174.60 3knk n ILE 81 N -1.72 0.00 0.00 -1.63 2.08 -1.01 -4.93 119.36 112.14 3knk n ILE 81 Ca 0.04 -0.49 0.00 0.00 0.56 0.00 0.00 62.75 62.87 3knk n ILE 81 Cb 0.62 1.01 0.00 0.00 -0.75 0.00 0.00 39.64 40.52 3knk n ILE 81 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3knk n ARG 82 N -0.73 0.00 -3.25 0.38 5.12 -1.26 -4.72 116.66 112.19 3knk n ARG 82 Ca 0.00 0.00 -0.45 0.00 -1.93 0.00 0.00 57.85 55.47 3knk n ARG 82 Cb 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.24 3knk n ARG 82 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3knk s ASP 83 N -4.00 6.18 0.00 0.55 1.01 -1.24 -2.90 116.67 116.27 3knk s ASP 83 Ca 0.00 -1.38 0.00 0.00 0.71 0.00 0.00 52.55 51.88 3knk s ASP 83 Cb 0.00 -2.24 0.00 0.00 1.01 0.00 0.00 42.92 41.69 3knk s ASP 83 CO 0.00 -0.87 0.00 0.33 0.21 0.00 0.00 175.17 174.84 3knk n PHE 84 N 5.71 0.00 -3.59 4.23 -0.00 -1.26 -0.96 117.46 121.59 3knk n PHE 84 Ca -0.11 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 56.94 3knk n PHE 84 Cb 0.43 0.00 -0.09 0.00 -0.00 0.00 0.00 39.48 39.82 3knk n PHE 84 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 3knk s ASN 85 N 0.00 5.66 0.72 -2.13 3.84 -1.26 -4.14 114.94 117.63 3knk s ASN 85 Ca 0.00 -2.10 -0.02 0.00 0.21 0.00 0.00 52.86 50.95 3knk s ASN 85 Cb 0.00 -1.98 0.12 0.00 -0.55 0.00 0.00 41.25 38.84 3knk s ASN 85 CO 0.00 -0.63 1.00 -2.16 -2.79 0.00 0.00 177.10 172.52 3knk s PRO 86 N 1.07 1.69 0.05 0.43 0.04 -1.26 -5.00 135.00 132.04 3knk s PRO 86 Ca 0.08 -1.04 -0.31 0.00 0.04 0.00 0.00 61.00 59.78 3knk s PRO 86 Cb -0.24 -2.31 -0.07 0.00 0.04 0.00 0.00 34.50 31.92 3knk s PRO 86 CO -0.02 -1.44 1.43 -1.83 0.04 0.00 0.00 177.00 175.18 3knk s GLU 87 N -5.16 4.28 0.00 4.56 -1.05 -1.26 -4.93 118.70 115.15 3knk s GLU 87 Ca 0.66 2.06 0.00 0.00 -0.15 0.00 0.00 54.97 57.54 3knk s GLU 87 Cb -0.06 -3.45 0.00 0.00 -0.44 0.00 0.00 34.13 30.18 3knk s GLU 87 CO 0.44 -0.55 0.00 0.41 0.95 0.00 0.00 175.26 176.52 3knk n GLY 88 N 3.64 -0.99 2.48 -3.83 0.00 -1.26 -4.83 105.19 100.40 3knk n GLY 88 Ca 0.13 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.47 3knk n GLY 88 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3knk n ASP 89 N -0.05 -4.18 -0.58 1.61 9.92 -1.26 -4.88 116.55 117.13 3knk n ASP 89 Ca 0.00 -0.40 0.00 0.00 -0.53 0.00 0.00 54.79 53.86 3knk n ASP 89 Cb 0.00 -3.20 0.00 0.00 -0.64 0.00 0.00 41.12 37.28 3knk n ASP 89 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 3knk n THR 90 N -2.55 -1.17 -1.80 -3.53 -1.04 -1.26 -4.82 114.28 98.11 3knk n THR 90 Ca -0.06 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.65 3knk n THR 90 Cb 0.57 -1.40 0.20 0.00 -1.82 0.00 0.00 70.33 67.89 3knk n THR 90 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3knk s VAL 91 N 0.00 1.93 0.02 12.58 1.01 0.15 -4.83 120.40 131.26 3knk s VAL 91 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 3knk s VAL 91 Cb 0.00 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.48 3knk s VAL 91 CO 0.00 0.00 0.30 0.35 0.00 0.00 0.00 175.10 175.75 3knk n THR 92 N -3.97 0.00 0.08 3.92 -2.24 -1.26 -2.82 114.28 107.98 3knk n THR 92 Ca 0.16 -0.09 -0.07 0.00 -2.27 0.00 0.00 64.05 61.78 3knk n THR 92 Cb 0.59 0.17 0.08 0.00 -2.10 0.00 0.00 70.33 69.08 3knk n THR 92 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3knk h VAL 93 N 1.25 1.41 0.00 2.28 2.07 -1.92 -2.91 116.25 118.43 3knk h VAL 93 Ca -0.06 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.33 3knk h VAL 93 Cb 0.30 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 3knk h VAL 93 CO 0.09 0.63 0.00 -0.62 0.02 0.00 0.00 177.57 177.69 3knk n GLU 94 N -3.83 0.00 -0.05 1.57 1.02 -1.26 0.13 120.64 118.22 3knk n GLU 94 Ca -0.03 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.91 3knk n GLU 94 Cb 0.67 -1.17 -0.13 0.00 -0.02 0.00 0.00 31.44 30.78 3knk n GLU 94 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3knk n ILE 95 N -0.51 1.66 -3.53 -3.67 -0.00 -1.10 -4.92 119.36 107.29 3knk n ILE 95 Ca 0.00 -0.61 -0.38 0.00 -0.00 0.00 0.00 62.75 61.77 3knk n ILE 95 Cb 0.00 -1.62 -0.06 0.00 -0.00 0.00 0.00 39.64 37.96 3knk n ILE 95 CO 0.00 0.00 0.00 -0.36 -0.00 0.00 0.00 176.55 176.19 3knk s PHE 96 N -2.54 3.70 -0.19 1.39 0.08 0.34 -5.07 117.98 115.69 3knk s PHE 96 Ca -0.28 0.94 -0.04 0.00 0.12 0.00 0.00 56.93 57.67 3knk s PHE 96 Cb 0.08 -2.25 -0.02 0.00 -0.57 0.00 0.00 43.02 40.25 3knk s PHE 96 CO 0.70 0.64 -0.02 0.15 -0.10 0.00 0.00 175.22 176.58 3knk s LYS 97 N -1.17 3.56 -0.13 0.44 -0.14 -1.26 -4.93 119.74 116.11 3knk s LYS 97 Ca 0.24 -0.55 -0.05 0.00 -1.36 0.00 0.00 55.97 54.25 3knk s LYS 97 Cb -0.16 -3.01 -0.05 0.00 -1.68 0.00 0.00 37.83 32.94 3knk s LYS 97 CO 0.13 0.02 1.04 -2.30 -0.76 0.00 0.00 175.35 173.49 3knk n PRO 98 N 4.18 0.01 0.00 -1.68 -0.02 -1.26 -1.87 135.00 134.36 3knk n PRO 98 Ca -0.17 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.06 3knk n PRO 98 Cb 0.52 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 3knk n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knk n GLY 99 N 4.48 0.51 3.51 -1.23 0.00 0.27 -4.65 105.19 108.08 3knk n GLY 99 Ca 0.07 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3knk n GLY 99 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3knk n GLU 100 N 0.00 -1.18 -3.67 1.61 1.02 -0.78 -4.31 120.64 113.32 3knk n GLU 100 Ca 0.00 -0.30 -0.38 0.00 -0.02 0.00 0.00 57.16 56.46 3knk n GLU 100 Cb 0.00 -2.12 -0.10 0.00 -0.02 0.00 0.00 31.44 29.20 3knk n GLU 100 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3knk s ARG 101 N -4.21 2.25 0.00 3.49 1.81 -1.26 -0.99 118.95 120.04 3knk s ARG 101 Ca 0.64 -1.85 0.00 0.00 -1.72 0.00 0.00 55.73 52.80 3knk s ARG 101 Cb -0.22 -3.75 0.00 0.00 -0.45 0.00 0.00 34.95 30.53 3knk s ARG 101 CO 0.63 -1.13 0.00 1.33 -0.68 0.00 0.00 175.30 175.45 3knk n VAL 102 N 4.65 0.00 -3.65 3.52 0.24 -1.10 -0.37 118.33 121.62 3knk n VAL 102 Ca -0.04 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.16 3knk n VAL 102 Cb 0.41 -0.66 -0.08 0.00 -1.47 0.00 0.00 33.84 32.04 3knk n VAL 102 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3knk s ASP 103 N -1.66 -0.78 -0.04 -1.34 1.01 -1.25 -1.86 116.67 110.74 3knk s ASP 103 Ca 0.00 1.36 0.01 0.00 0.71 0.00 0.00 52.55 54.64 3knk s ASP 103 Cb 0.00 1.30 0.02 0.00 1.01 0.00 0.00 42.92 45.25 3knk s ASP 103 CO 0.00 -0.23 -0.04 -0.69 0.21 0.00 0.00 175.17 174.42 3knk s VAL 104 N 1.02 0.49 0.27 -1.27 1.01 -1.21 -0.46 120.40 120.24 3knk s VAL 104 Ca -0.05 -0.12 0.09 0.00 0.00 0.00 0.00 61.98 61.90 3knk s VAL 104 Cb -0.05 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 3knk s VAL 104 CO -0.10 0.20 0.02 -0.89 0.00 0.00 0.00 175.10 174.33 3knk s THR 105 N 0.75 3.49 0.00 3.92 2.01 -1.02 -1.22 115.64 123.57 3knk s THR 105 Ca -0.10 -1.87 -0.29 0.00 0.31 0.00 0.00 61.69 59.75 3knk s THR 105 Cb -0.13 -2.89 0.10 0.00 0.01 0.00 0.00 72.50 69.60 3knk s THR 105 CO 0.00 -0.36 1.26 -0.83 -0.69 0.00 0.00 174.62 174.00 3knk s GLY 106 N -3.70 -0.22 -0.57 4.40 0.00 -0.14 -2.27 107.32 104.84 3knk s GLY 106 Ca 0.32 0.27 -0.05 0.00 0.00 0.00 0.00 44.72 45.26 3knk s GLY 106 CO 0.20 3.12 0.40 -1.59 0.00 0.00 0.00 173.10 175.23 3knk s THR 107 N -2.20 3.86 0.79 0.90 2.01 -1.26 -1.68 115.64 118.06 3knk s THR 107 Ca 0.23 -2.50 -0.15 0.00 0.31 0.00 0.00 61.69 59.57 3knk s THR 107 Cb 0.01 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 3knk s THR 107 CO -0.01 -0.83 0.38 -1.54 -0.69 0.00 0.00 174.62 171.92 3knk n SER 108 N 4.04 -1.85 -4.74 3.53 3.41 -1.05 -3.75 113.62 113.20 3knk n SER 108 Ca 0.03 0.50 -0.39 0.00 -0.26 0.00 0.00 58.87 58.76 3knk n SER 108 Cb 0.40 -1.17 0.04 0.00 -0.26 0.00 0.00 64.21 63.22 3knk n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3knk n LYS 109 N -0.64 1.73 -3.75 4.33 5.02 -1.26 -3.03 118.16 120.56 3knk n LYS 109 Ca 0.08 0.63 -0.37 0.00 -2.02 0.00 0.00 58.31 56.64 3knk n LYS 109 Cb 0.51 -2.55 -0.11 0.00 -0.02 0.00 0.00 35.03 32.86 3knk n LYS 109 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3knk s GLY 110 N -0.86 1.86 -0.15 0.72 0.00 -1.26 -1.48 107.32 106.15 3knk s GLY 110 Ca 0.70 -1.02 0.17 0.00 0.00 0.00 0.00 44.72 44.57 3knk s GLY 110 CO 0.50 0.46 1.67 0.54 0.00 0.00 0.00 173.10 176.28 3knk n ARG 111 N 4.64 4.08 -0.23 2.90 1.74 0.11 -4.72 116.66 125.18 3knk n ARG 111 Ca -0.15 -2.98 0.03 0.00 -0.77 0.00 0.00 57.85 53.97 3knk n ARG 111 Cb 0.52 -2.01 -0.01 0.00 -1.02 0.00 0.00 32.46 29.95 3knk n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knk n GLY 112 N 0.97 -0.26 3.54 -0.13 0.00 -0.95 -4.09 105.19 104.27 3knk n GLY 112 Ca 0.26 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 3knk n GLY 112 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3knk n PHE 113 N -1.12 0.83 -4.56 1.61 -0.00 -1.25 -3.29 117.46 109.68 3knk n PHE 113 Ca 0.00 0.03 -0.26 0.00 -0.00 0.00 0.00 57.45 57.22 3knk n PHE 113 Cb 0.52 -2.01 -0.11 0.00 -0.00 0.00 0.00 39.48 37.88 3knk n PHE 113 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3knk s ALA 114 N 10.02 2.90 0.47 3.13 0.00 -1.05 -4.96 121.76 132.27 3knk s ALA 114 Ca 1.07 -2.22 -0.04 0.00 0.00 0.00 0.00 51.96 50.77 3knk s ALA 114 Cb -0.41 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 3knk s ALA 114 CO 0.27 -0.17 0.75 0.20 0.00 0.00 0.00 175.76 176.81 3knk s GLY 115 N -3.63 1.50 0.12 0.00 0.00 -1.26 -3.05 107.32 101.00 3knk s GLY 115 Ca 0.35 -0.66 -0.31 0.00 0.00 0.00 0.00 44.72 44.10 3knk s GLY 115 CO 0.17 -0.49 1.57 0.54 0.00 0.00 0.00 173.10 174.89 3knk s VAL 116 N -2.70 2.88 0.00 1.40 0.11 -1.26 -2.09 120.40 118.74 3knk s VAL 116 Ca 0.47 0.53 0.00 0.00 -2.93 0.00 0.00 61.98 60.06 3knk s VAL 116 Cb -0.10 -3.34 0.00 0.00 -1.53 0.00 0.00 36.38 31.41 3knk s VAL 116 CO 0.43 0.02 0.00 0.80 -3.33 0.00 0.00 175.10 173.02 3knk n MET 117 N 4.59 0.00 0.00 1.54 0.00 -1.26 -4.60 117.12 117.38 3knk n MET 117 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.84 3knk n MET 117 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.62 3knk n MET 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 3knk n LYS 118 N 0.00 0.00 -0.02 2.12 0.00 -1.24 -4.72 118.16 114.29 3knk n LYS 118 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.22 3knk n LYS 118 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 34.89 3knk n LYS 118 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3knk n ARG 119 N 0.00 0.63 -0.15 1.64 0.00 -0.89 -4.40 116.66 113.49 3knk n ARG 119 Ca 0.00 0.29 0.00 0.00 -0.00 0.00 0.00 57.85 58.14 3knk n ARG 119 Cb 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 32.46 30.68 3knk n ARG 119 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 3knk n TRP 120 N -3.03 0.00 -3.96 -0.14 5.03 -1.26 -4.98 117.44 109.10 3knk n TRP 120 Ca -0.17 0.00 -0.33 0.00 3.03 0.00 0.00 57.50 60.03 3knk n TRP 120 Cb 1.06 0.02 -0.07 0.00 -1.03 0.00 0.00 31.31 31.29 3knk n TRP 120 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 3knk n ASN 121 N 0.00 -1.03 -3.21 -0.99 4.13 -1.26 -4.52 115.26 108.38 3knk n ASN 121 Ca 0.00 -1.01 -0.17 0.00 1.68 0.00 0.00 54.58 55.08 3knk n ASN 121 Cb 0.55 -1.29 0.17 0.00 -1.54 0.00 0.00 39.78 37.67 3knk n ASN 121 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3knk n PHE 122 N -3.47 -2.82 0.03 3.10 3.01 -1.26 -4.77 117.46 111.28 3knk n PHE 122 Ca 0.02 -0.38 0.05 0.00 1.01 0.00 0.00 57.45 58.15 3knk n PHE 122 Cb 0.40 -0.87 -0.09 0.00 -0.01 0.00 0.00 39.48 38.92 3knk n PHE 122 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3knk n ALA 123 N -4.44 2.25 -0.96 4.37 0.00 -1.26 -4.73 120.51 115.75 3knk n ALA 123 Ca -0.11 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.80 3knk n ALA 123 Cb 0.34 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.91 3knk n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knk n GLY 124 N 1.34 4.17 3.35 0.00 0.00 -1.26 -4.90 105.19 107.88 3knk n GLY 124 Ca -0.08 0.08 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3knk n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knk n GLY 125 N 0.00 0.74 3.63 -0.02 0.00 -0.51 -4.81 105.19 104.23 3knk n GLY 125 Ca 0.00 -1.13 -0.47 0.00 0.00 0.00 0.00 46.02 44.41 3knk n GLY 125 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3knk n PRO 126 N -0.61 2.04 0.19 1.61 -0.02 -1.26 -4.78 135.00 132.17 3knk n PRO 126 Ca -0.03 0.70 0.03 0.00 -2.02 0.00 0.00 63.50 62.18 3knk n PRO 126 Cb 0.51 -2.75 0.37 0.00 -0.02 0.00 0.00 33.50 31.60 3knk n PRO 126 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3knk h ASP 127 N 10.85 0.00 -3.54 2.55 5.19 -1.92 -3.44 116.42 126.10 3knk h ASP 127 Ca -0.44 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 55.43 3knk h ASP 127 Cb 1.27 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.65 3knk h ASP 127 CO 0.96 0.36 -0.52 -0.55 -3.12 0.00 0.00 179.24 176.37 3knk s SER 128 N -6.94 2.58 0.58 6.45 0.15 -1.26 -4.99 113.70 110.28 3knk s SER 128 Ca -0.03 -1.67 0.00 0.00 0.70 0.00 0.00 55.95 54.95 3knk s SER 128 Cb 0.14 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 3knk s SER 128 CO 0.72 -0.94 0.00 1.41 1.20 0.00 0.00 173.24 175.63 3knk n HIS 129 N -0.86 0.00 0.00 3.44 8.25 -1.26 -4.90 115.22 119.89 3knk n HIS 129 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 3knk n HIS 129 Cb 0.65 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.76 3knk n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3knk n GLY 130 N 0.00 -1.43 1.20 -1.41 0.00 -1.26 -4.82 105.19 97.47 3knk n GLY 130 Ca 0.00 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 3knk n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knk n ALA 131 N -2.88 -1.88 -0.03 4.61 0.00 -1.26 -4.91 120.51 114.15 3knk n ALA 131 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.52 3knk n ALA 131 Cb 0.00 -0.54 0.03 0.00 0.00 0.00 0.00 19.45 18.94 3knk n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3knk n HIS 132 N -0.29 0.09 -0.99 0.00 -0.00 -1.26 -4.68 115.22 108.09 3knk n HIS 132 Ca 0.05 -0.49 0.09 0.00 0.46 0.00 0.00 57.72 57.82 3knk n HIS 132 Cb 0.13 -0.04 0.24 0.00 -0.12 0.00 0.00 29.99 30.20 3knk n HIS 132 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3knk n LYS 133 N -0.29 2.69 -0.83 1.57 5.02 -1.26 -4.50 118.16 120.56 3knk n LYS 133 Ca 0.02 -2.79 0.03 0.00 -2.02 0.00 0.00 58.31 53.55 3knk n LYS 133 Cb 0.28 -1.79 0.03 0.00 -0.02 0.00 0.00 35.03 33.54 3knk n LYS 133 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3knk n ILE 134 N -0.63 0.27 -0.31 -0.18 -0.00 -1.26 -4.90 119.36 112.35 3knk n ILE 134 Ca 0.20 -0.72 0.24 0.00 -0.00 0.00 0.00 62.75 62.47 3knk n ILE 134 Cb 0.85 0.58 0.53 0.00 -0.00 0.00 0.00 39.64 41.60 3knk n ILE 134 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.55 177.00 3knk h HIS 135 N 0.42 0.58 0.00 4.28 3.86 -1.85 -2.63 115.15 119.80 3knk h HIS 135 Ca -0.08 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 3knk h HIS 135 Cb 1.53 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.83 3knk h HIS 135 CO 0.16 0.06 -0.08 0.54 0.86 0.00 0.00 177.93 179.47 3knk n ARG 136 N -4.57 1.48 -3.10 2.45 1.74 -1.26 -1.42 116.66 111.97 3knk n ARG 136 Ca 0.25 -1.80 -0.38 0.00 -0.77 0.00 0.00 57.85 55.15 3knk n ARG 136 Cb 0.90 -1.09 -0.06 0.00 -1.02 0.00 0.00 32.46 31.19 3knk n ARG 136 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3knk s HIS 137 N -1.58 3.80 0.58 -1.55 3.76 -0.99 -4.80 115.29 114.50 3knk s HIS 137 Ca 0.14 1.45 0.28 0.00 -0.15 0.00 0.00 55.06 56.78 3knk s HIS 137 Cb 0.12 -2.64 1.72 0.00 1.11 0.00 0.00 32.58 32.90 3knk s HIS 137 CO 0.01 0.48 2.22 -1.00 -0.85 0.00 0.00 174.74 175.61 3knk h PRO 138 N 4.08 0.00 0.00 8.40 0.13 -1.89 -3.39 132.00 139.33 3knk h PRO 138 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3knk h PRO 138 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3knk h PRO 138 CO 0.65 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.83 3knk n GLY 139 N -1.37 0.53 3.95 1.56 0.00 -1.26 -4.84 105.19 103.76 3knk n GLY 139 Ca -0.02 -1.35 -0.23 0.00 0.00 0.00 0.00 46.02 44.42 3knk n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3knk s SER 140 N -4.00 5.91 -0.01 1.61 0.15 -1.26 -5.03 113.70 111.07 3knk s SER 140 Ca 0.00 0.28 0.09 0.00 0.70 0.00 0.00 55.95 57.02 3knk s SER 140 Cb 0.00 -1.58 0.14 0.00 -1.71 0.00 0.00 66.02 62.87 3knk s SER 140 CO 0.00 -0.63 1.06 2.30 1.20 0.00 0.00 173.24 177.17 3knk n ILE 141 N -2.01 0.09 0.00 6.45 -5.35 -1.26 -5.12 119.36 112.16 3knk n ILE 141 Ca 0.00 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 3knk n ILE 141 Cb 0.57 0.62 0.00 0.00 -1.74 0.00 0.00 39.64 39.09 3knk n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3knk n GLY 142 N 0.09 -0.74 0.00 3.28 0.00 -1.26 -4.63 105.19 101.92 3knk n GLY 142 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3knk n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3knk n ASN 143 N 0.00 1.84 0.00 1.61 5.03 -1.26 -5.11 115.26 117.37 3knk n ASN 143 Ca 0.00 -0.47 0.00 0.00 0.87 0.00 0.00 54.58 54.98 3knk n ASN 143 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3knk n ASN 143 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 3knk n ARG 144 N 0.00 0.00 0.28 3.52 0.00 -1.26 -4.82 116.66 114.37 3knk n ARG 144 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 57.85 58.03 3knk n ARG 144 Cb 0.00 0.00 0.93 0.00 0.00 0.00 0.00 32.46 33.39 3knk n ARG 144 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 3knk h LYS 145 N 0.00 0.00 -4.71 -0.14 1.79 -2.02 -3.34 116.57 108.16 3knk h LYS 145 Ca 0.00 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.91 3knk h LYS 145 Cb 0.00 0.00 -0.34 0.00 -1.58 0.00 0.00 32.23 30.31 3knk h LYS 145 CO 0.00 0.00 -0.83 0.95 -1.08 0.00 0.00 179.45 178.49 3knk s THR 146 N -4.35 1.38 0.08 -0.16 -4.23 -1.26 -3.64 115.64 103.46 3knk s THR 146 Ca -0.04 -0.60 -0.15 0.00 -1.18 0.00 0.00 61.69 59.71 3knk s THR 146 Cb 0.13 -1.26 -0.15 0.00 1.34 0.00 0.00 72.50 72.56 3knk s THR 146 CO 0.43 0.41 1.30 1.55 -0.54 0.00 0.00 174.62 177.78 3knk h PRO 147 N 7.16 0.67 0.00 3.99 0.13 -1.91 -3.41 132.00 138.63 3knk h PRO 147 Ca -0.29 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.34 3knk h PRO 147 Cb 1.19 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3knk h PRO 147 CO 0.48 1.11 0.00 0.41 -0.23 0.00 0.00 178.00 179.77 3knk n GLY 148 N 0.57 1.23 3.26 1.56 0.00 -1.24 -5.09 105.19 105.48 3knk n GLY 148 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 3knk n GLY 148 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3knk s ARG 149 N -0.26 1.35 -0.17 1.61 1.70 -1.26 -5.10 118.95 116.83 3knk s ARG 149 Ca 0.00 -1.67 -0.12 0.00 -0.47 0.00 0.00 55.73 53.47 3knk s ARG 149 Cb 0.00 0.30 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 3knk s ARG 149 CO 0.00 -0.47 0.22 0.08 -1.08 0.00 0.00 175.30 174.05 3knk s VAL 150 N -3.98 5.35 -0.84 4.99 1.01 -1.26 -4.81 120.40 120.86 3knk s VAL 150 Ca 0.38 0.39 -0.32 0.00 0.00 0.00 0.00 61.98 62.42 3knk s VAL 150 Cb 0.05 -3.55 -0.19 0.00 0.00 0.00 0.00 36.38 32.69 3knk s VAL 150 CO 0.15 0.43 2.57 -1.22 0.00 0.00 0.00 175.10 177.03 3knk n TYR 151 N 3.36 0.79 -0.24 5.22 4.01 -1.26 -4.63 117.16 124.41 3knk n TYR 151 Ca -0.14 0.40 0.19 0.00 -0.16 0.00 0.00 57.90 58.19 3knk n TYR 151 Cb 0.52 -2.40 0.31 0.00 -0.31 0.00 0.00 39.34 37.45 3knk n TYR 151 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3knk n LYS 152 N 8.41 -0.01 -0.55 -0.72 4.81 -1.26 0.23 118.16 129.07 3knk n LYS 152 Ca 0.60 0.47 0.05 0.00 -0.87 0.00 0.00 58.31 58.57 3knk n LYS 152 Cb 0.09 -1.01 0.27 0.00 0.02 0.00 0.00 35.03 34.40 3knk n LYS 152 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3knk n GLY 153 N -1.29 2.30 3.60 3.14 0.00 -1.26 -4.97 105.19 106.70 3knk n GLY 153 Ca 0.17 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 3knk n GLY 153 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3knk s LYS 154 N -2.04 3.10 -0.20 1.61 2.47 0.63 -4.92 119.74 120.38 3knk s LYS 154 Ca 0.37 1.93 -0.36 0.00 -1.56 0.00 0.00 55.97 56.35 3knk s LYS 154 Cb 0.26 -4.37 -0.12 0.00 -1.46 0.00 0.00 37.83 32.15 3knk s LYS 154 CO 0.13 -2.14 1.94 1.63 0.16 0.00 0.00 175.35 177.07 3knk n LYS 155 N 8.75 1.67 -4.30 4.03 5.02 -1.26 -4.95 118.16 127.12 3knk n LYS 155 Ca 0.29 0.58 -0.19 0.00 -2.02 0.00 0.00 58.31 56.97 3knk n LYS 155 Cb 0.46 -2.50 -0.08 0.00 -0.02 0.00 0.00 35.03 32.88 3knk n LYS 155 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3knk s MET 156 N 4.58 1.68 0.62 1.97 -1.94 -1.26 -5.10 119.30 119.86 3knk s MET 156 Ca 0.98 -1.97 -0.18 0.00 -1.71 0.00 0.00 55.69 52.81 3knk s MET 156 Cb -0.80 0.17 -0.03 0.00 2.01 0.00 0.00 34.83 36.18 3knk s MET 156 CO 0.54 -0.57 1.09 0.00 -0.01 0.00 0.00 175.02 176.07 3knk n ALA 157 N -0.60 0.56 -3.36 3.03 0.00 -1.26 -4.78 120.51 114.10 3knk n ALA 157 Ca 0.05 -0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.54 3knk n ALA 157 Cb 0.63 -2.20 0.01 0.00 0.00 0.00 0.00 19.45 17.89 3knk n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knk n GLY 158 N 1.15 0.66 3.25 0.00 0.00 -1.17 -4.99 105.19 104.09 3knk n GLY 158 Ca 0.15 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 3knk n GLY 158 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3knk n HIS 159 N -0.32 2.42 -2.70 1.61 -0.00 -1.26 -2.54 115.22 112.42 3knk n HIS 159 Ca 0.01 -1.84 -0.43 0.00 -0.00 0.00 0.00 57.72 55.46 3knk n HIS 159 Cb 0.21 -2.10 -0.03 0.00 -0.00 0.00 0.00 29.99 28.08 3knk n HIS 159 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 3knk s TYR 160 N 6.68 3.24 -0.08 1.57 6.14 -1.21 -4.87 117.35 128.83 3knk s TYR 160 Ca 0.60 1.25 0.00 0.00 0.64 0.00 0.00 57.07 59.56 3knk s TYR 160 Cb 0.09 -3.42 0.00 0.00 0.42 0.00 0.00 41.96 39.06 3knk s TYR 160 CO 0.11 -0.60 0.00 0.41 0.64 0.00 0.00 175.55 176.11 3knk n GLY 161 N 3.68 0.25 0.68 8.97 0.00 -1.26 0.06 105.19 117.57 3knk n GLY 161 Ca 0.10 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.09 3knk n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knk n ALA 162 N -1.00 -0.80 -3.86 4.61 0.00 -0.55 -4.79 120.51 114.12 3knk n ALA 162 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3knk n ALA 162 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 3knk n ALA 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3knk s GLU 163 N 0.00 1.59 0.34 0.00 -1.05 -1.25 -4.94 118.70 113.38 3knk s GLU 163 Ca 0.00 -1.02 -0.27 0.00 -0.15 0.00 0.00 54.97 53.53 3knk s GLU 163 Cb 0.00 0.44 -0.09 0.00 -0.44 0.00 0.00 34.13 34.04 3knk s GLU 163 CO 0.00 -0.74 1.11 0.50 0.95 0.00 0.00 175.26 177.07 3knk s ARG 164 N -2.21 4.39 -0.17 -4.83 3.52 -1.26 -2.53 118.95 115.85 3knk s ARG 164 Ca 0.20 1.75 -0.19 0.00 -0.13 0.00 0.00 55.73 57.35 3knk s ARG 164 Cb -0.03 -2.91 0.05 0.00 -1.56 0.00 0.00 34.95 30.50 3knk s ARG 164 CO 0.07 0.00 0.53 0.08 -0.81 0.00 0.00 175.30 175.17 3knk s VAL 165 N -1.34 0.00 0.13 7.11 1.01 -0.68 -4.90 120.40 121.73 3knk s VAL 165 Ca 0.51 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.53 3knk s VAL 165 Cb -0.29 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 3knk s VAL 165 CO 0.37 -0.02 -0.19 -0.89 0.00 0.00 0.00 175.10 174.37 3knk s THR 166 N 0.02 1.68 0.20 3.92 2.01 -1.26 -0.96 115.64 121.25 3knk s THR 166 Ca -0.02 -1.68 0.08 0.00 0.31 0.00 0.00 61.69 60.37 3knk s THR 166 Cb -0.04 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 3knk s THR 166 CO 0.02 -0.20 -0.15 0.54 -0.69 0.00 0.00 174.62 174.14 3knk s VAL 167 N -1.58 1.75 -0.04 3.82 0.11 -0.36 -5.01 120.40 119.09 3knk s VAL 167 Ca 0.10 -2.14 -0.01 0.00 -2.93 0.00 0.00 61.98 56.99 3knk s VAL 167 Cb -0.08 -1.99 0.03 0.00 -1.53 0.00 0.00 36.38 32.81 3knk s VAL 167 CO 0.05 -0.53 0.07 -0.04 -3.33 0.00 0.00 175.10 171.31 3knk s MET 168 N -3.45 -0.04 0.00 1.54 -1.94 -1.26 -3.33 119.30 110.83 3knk s MET 168 Ca 0.21 0.32 0.00 0.00 -1.71 0.00 0.00 55.69 54.51 3knk s MET 168 Cb -0.02 -0.36 0.00 0.00 2.01 0.00 0.00 34.83 36.46 3knk s MET 168 CO 0.07 -0.25 0.00 -1.71 -0.01 0.00 0.00 175.02 173.12 3knk n ASN 169 N 4.78 -1.68 -4.45 3.03 5.15 -1.18 -5.06 115.26 115.85 3knk n ASN 169 Ca -0.15 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.46 3knk n ASN 169 Cb 0.50 -0.42 -0.12 0.00 -0.53 0.00 0.00 39.78 39.21 3knk n ASN 169 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3knk s LEU 170 N -2.51 3.62 0.32 1.20 1.02 -1.26 -4.88 118.68 116.19 3knk s LEU 170 Ca 0.00 -0.28 -0.28 0.00 0.02 0.00 0.00 54.13 53.60 3knk s LEU 170 Cb 0.00 -1.95 -0.13 0.00 0.02 0.00 0.00 46.19 44.13 3knk s LEU 170 CO 0.00 -0.07 1.08 1.21 0.02 0.00 0.00 176.35 178.59 3knk n GLU 171 N 4.94 1.55 -3.13 1.70 2.13 -1.26 -2.72 120.64 123.86 3knk n GLU 171 Ca -0.16 0.55 -0.45 0.00 0.66 0.00 0.00 57.16 57.76 3knk n GLU 171 Cb 0.51 -1.99 -0.04 0.00 0.27 0.00 0.00 31.44 30.19 3knk n GLU 171 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3knk s VAL 172 N -1.09 4.94 -0.46 6.31 1.01 -0.17 -1.77 120.40 129.18 3knk s VAL 172 Ca 0.58 -1.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 3knk s VAL 172 Cb -0.65 -4.52 0.03 0.00 0.00 0.00 0.00 36.38 31.24 3knk s VAL 172 CO 0.60 -1.16 0.66 -0.69 0.00 0.00 0.00 175.10 174.51 3knk s VAL 173 N 2.26 4.81 0.26 2.92 1.01 -0.75 -0.56 120.40 130.34 3knk s VAL 173 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.14 3knk s VAL 173 Cb -0.20 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 31.94 3knk s VAL 173 CO 0.02 -0.67 0.00 -0.67 0.00 0.00 0.00 175.10 173.78 3knk n ASP 174 N 6.32 -5.72 -4.01 3.32 4.64 -1.26 -4.22 116.55 115.62 3knk n ASP 174 Ca -0.02 1.14 -0.26 0.00 -1.38 0.00 0.00 54.79 54.26 3knk n ASP 174 Cb 0.47 -3.76 -0.17 0.00 -1.04 0.00 0.00 41.12 36.62 3knk n ASP 174 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3knk s VAL 175 N -2.02 1.23 -0.94 5.18 -7.23 -1.26 -2.87 120.40 112.49 3knk s VAL 175 Ca 0.00 -0.49 -0.13 0.00 -1.81 0.00 0.00 61.98 59.55 3knk s VAL 175 Cb 0.00 -1.15 0.23 0.00 0.56 0.00 0.00 36.38 36.02 3knk s VAL 175 CO 0.00 0.39 0.92 -0.63 -0.31 0.00 0.00 175.10 175.47 3knk s ILE 176 N 0.98 5.66 0.63 -0.62 1.09 -1.25 -4.91 121.20 122.78 3knk s ILE 176 Ca -0.08 -2.72 0.34 0.00 -1.10 0.00 0.00 60.65 57.10 3knk s ILE 176 Cb -0.15 -4.55 0.38 0.00 -1.06 0.00 0.00 42.46 37.08 3knk s ILE 176 CO -0.00 -1.13 2.20 1.55 -0.10 0.00 0.00 174.94 177.45 3knk h PRO 177 N 7.48 0.00 -0.15 2.79 0.13 -1.93 0.27 132.00 140.59 3knk h PRO 177 Ca 0.14 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.31 3knk h PRO 177 Cb 0.98 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.08 3knk h PRO 177 CO 0.87 0.00 -0.08 1.49 -0.23 0.00 0.00 178.00 180.05 3knk h GLU 178 N 0.00 -0.06 -0.30 0.86 4.57 -1.95 -1.12 114.58 116.57 3knk h GLU 178 Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3knk h GLU 178 Cb 0.26 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 3knk h GLU 178 CO -0.00 -0.04 0.00 -1.91 -1.18 0.00 0.00 179.01 175.88 3knk n GLU 179 N -5.22 2.05 -3.31 1.92 4.07 -1.10 -4.92 120.64 114.13 3knk n GLU 179 Ca -0.03 -1.59 -0.17 0.00 -0.06 0.00 0.00 57.16 55.31 3knk n GLU 179 Cb 0.15 -1.42 0.08 0.00 -0.06 0.00 0.00 31.44 30.18 3knk n GLU 179 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3knk n ASN 180 N 0.81 -3.10 -4.99 4.31 3.02 -0.42 -4.83 115.26 110.05 3knk n ASN 180 Ca 0.17 -0.52 -0.19 0.00 -0.03 0.00 0.00 54.58 54.01 3knk n ASN 180 Cb 0.43 -4.52 0.03 0.00 -0.61 0.00 0.00 39.78 35.10 3knk n ASN 180 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3knk s LEU 181 N -6.01 3.45 -0.26 3.41 1.02 0.06 -2.96 118.68 117.39 3knk s LEU 181 Ca 0.14 -0.24 -0.02 0.00 0.02 0.00 0.00 54.13 54.04 3knk s LEU 181 Cb -0.06 -2.73 0.15 0.00 0.02 0.00 0.00 46.19 43.57 3knk s LEU 181 CO 0.64 -0.97 0.44 -0.22 0.02 0.00 0.00 176.35 176.25 3knk s LEU 182 N -4.56 -0.84 -0.43 1.79 2.96 -1.26 -3.79 118.68 112.54 3knk s LEU 182 Ca 0.56 0.33 -0.17 0.00 -0.22 0.00 0.00 54.13 54.64 3knk s LEU 182 Cb -0.10 1.38 0.03 0.00 0.50 0.00 0.00 46.19 48.00 3knk s LEU 182 CO 0.36 -0.29 0.42 -0.76 -1.32 0.00 0.00 176.35 174.76 3knk s LEU 183 N 2.62 4.98 0.04 -0.68 1.02 -1.14 -1.66 118.68 123.86 3knk s LEU 183 Ca 0.14 -0.78 0.07 0.00 0.02 0.00 0.00 54.13 53.58 3knk s LEU 183 Cb -0.15 -2.34 -0.03 0.00 0.02 0.00 0.00 46.19 43.69 3knk s LEU 183 CO -0.18 -0.58 -0.16 -0.69 0.02 0.00 0.00 176.35 174.75 3knk s VAL 184 N 2.05 2.93 -0.01 -1.59 1.01 -0.72 -1.81 120.40 122.26 3knk s VAL 184 Ca 0.10 -1.14 -0.05 0.00 0.00 0.00 0.00 61.98 60.90 3knk s VAL 184 Cb -0.18 -2.25 -0.06 0.00 0.00 0.00 0.00 36.38 33.89 3knk s VAL 184 CO 0.12 0.33 0.70 0.29 0.00 0.00 0.00 175.10 176.54 3knk n LYS 185 N 1.50 0.00 0.00 2.72 4.76 -0.73 0.86 118.16 127.27 3knk n LYS 185 Ca -0.16 -0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.12 3knk n LYS 185 Cb 0.52 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 3knk n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3knk n GLY 186 N 3.80 1.30 3.65 0.72 0.00 0.11 -4.83 105.19 109.94 3knk n GLY 186 Ca 0.07 0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 3knk n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knk s ALA 187 N -1.00 3.57 0.04 4.61 0.00 -1.26 -3.88 121.76 123.84 3knk s ALA 187 Ca 0.00 0.63 -0.03 0.00 0.00 0.00 0.00 51.96 52.56 3knk s ALA 187 Cb 0.00 -3.71 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 3knk s ALA 187 CO 0.00 -1.40 0.02 0.54 0.00 0.00 0.00 175.76 174.92 3knk s VAL 188 N 4.00 0.16 0.73 0.00 0.11 -1.26 -5.07 120.40 119.07 3knk s VAL 188 Ca 0.64 -1.30 -0.11 0.00 -2.93 0.00 0.00 61.98 58.28 3knk s VAL 188 Cb -0.26 -0.96 0.03 0.00 -1.53 0.00 0.00 36.38 33.66 3knk s VAL 188 CO 0.23 -0.72 1.11 -2.16 -3.33 0.00 0.00 175.10 170.23 3knk s PRO 189 N -2.81 2.59 0.00 1.54 0.04 -1.26 -5.00 135.00 130.10 3knk s PRO 189 Ca -0.03 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.34 3knk s PRO 189 Cb -0.00 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3knk s PRO 189 CO -0.06 -1.19 0.00 0.41 0.04 0.00 0.00 177.00 176.20 3knk n GLY 190 N -3.08 0.08 1.03 0.56 0.00 -1.25 -4.70 105.19 97.83 3knk n GLY 190 Ca 0.07 -1.78 -0.06 0.00 0.00 0.00 0.00 46.02 44.26 3knk n GLY 190 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3knk n PRO 191 N 0.24 0.62 -2.45 1.61 -0.05 -1.26 -4.69 135.00 129.03 3knk n PRO 191 Ca 0.00 -0.76 -0.39 0.00 -0.05 0.00 0.00 63.50 62.30 3knk n PRO 191 Cb 0.00 -0.13 -0.03 0.00 -0.05 0.00 0.00 33.50 33.29 3knk n PRO 191 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 175.50 174.65 3knk s ASN 192 N -2.02 6.11 0.00 3.54 0.02 -1.26 -3.76 114.94 117.57 3knk s ASN 192 Ca 0.17 -0.85 0.00 0.00 -1.02 0.00 0.00 52.86 51.16 3knk s ASN 192 Cb -0.01 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.70 3knk s ASN 192 CO 0.11 -1.85 0.00 0.61 0.02 0.00 0.00 177.10 175.99 3knk n GLY 193 N 6.25 1.15 3.61 0.66 0.00 0.13 -4.97 105.19 112.03 3knk n GLY 193 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 3knk n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3knk s GLY 194 N -2.00 1.70 0.04 -0.02 0.00 -1.25 -4.89 107.32 100.91 3knk s GLY 194 Ca 0.00 -1.67 -0.30 0.00 0.00 0.00 0.00 44.72 42.75 3knk s GLY 194 CO 0.00 -1.74 1.18 -2.27 0.00 0.00 0.00 173.10 170.27 3knk s LEU 195 N -3.55 4.36 -0.02 0.66 2.96 -1.26 -2.70 118.68 119.13 3knk s LEU 195 Ca 0.30 1.95 0.00 0.00 -0.22 0.00 0.00 54.13 56.16 3knk s LEU 195 Cb -0.06 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.07 3knk s LEU 195 CO 0.19 -0.47 0.01 0.68 -1.32 0.00 0.00 176.35 175.44 3knk s VAL 196 N 1.24 0.06 0.30 1.68 -7.23 -0.83 -4.17 120.40 111.45 3knk s VAL 196 Ca 0.58 0.10 -0.04 0.00 -1.81 0.00 0.00 61.98 60.80 3knk s VAL 196 Cb -0.28 -0.14 -0.05 0.00 0.56 0.00 0.00 36.38 36.47 3knk s VAL 196 CO 0.28 0.09 0.56 -0.51 -0.31 0.00 0.00 175.10 175.21 3knk s ILE 197 N 0.74 5.03 -0.13 -0.62 2.07 -0.96 -1.29 121.20 126.05 3knk s ILE 197 Ca -0.07 -0.02 -0.04 0.00 -1.41 0.00 0.00 60.65 59.11 3knk s ILE 197 Cb -0.10 -3.76 0.06 0.00 0.13 0.00 0.00 42.46 38.79 3knk s ILE 197 CO -0.02 -0.38 0.12 -0.69 -1.91 0.00 0.00 174.94 172.06 3knk s VAL 198 N -2.14 -0.16 0.00 4.00 1.01 -0.80 -2.43 120.40 119.88 3knk s VAL 198 Ca 0.43 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.50 3knk s VAL 198 Cb -0.11 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.84 3knk s VAL 198 CO 0.31 -0.08 0.00 0.54 0.00 0.00 0.00 175.10 175.88 3knk n ARG 199 N 5.30 0.00 -3.96 2.72 1.74 0.39 -2.71 116.66 120.14 3knk n ARG 199 Ca -0.05 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.93 3knk n ARG 199 Cb 0.49 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.83 3knk n ARG 199 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3knk s GLU 200 N 3.45 0.46 0.91 5.56 1.03 -1.17 -3.90 118.70 125.03 3knk s GLU 200 Ca 0.00 -0.68 -0.12 0.00 0.03 0.00 0.00 54.97 54.20 3knk s GLU 200 Cb 0.00 0.17 0.13 0.00 -0.80 0.00 0.00 34.13 33.64 3knk s GLU 200 CO 0.00 -0.10 1.10 -0.08 -1.33 0.00 0.00 175.26 174.85 3knk s THR 201 N -2.06 2.53 -0.19 1.83 -1.32 0.50 -4.23 115.64 112.70 3knk s THR 201 Ca -0.10 0.17 0.14 0.00 -1.21 0.00 0.00 61.69 60.69 3knk s THR 201 Cb -0.05 -2.72 0.40 0.00 -1.51 0.00 0.00 72.50 68.62 3knk s THR 201 CO -0.03 -0.23 1.25 0.29 -2.21 0.00 0.00 174.62 173.70 3knk n LYS 202 N -3.87 1.64 0.08 7.08 4.01 -1.26 -4.63 118.16 121.21 3knk n LYS 202 Ca 0.07 -2.99 -0.10 0.00 -0.51 0.00 0.00 58.31 54.78 3knk n LYS 202 Cb 0.56 -1.63 -0.09 0.00 -0.51 0.00 0.00 35.03 33.36 3knk n LYS 202 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 3knk h LYS 203 N 0.72 0.12 0.00 1.97 5.09 -1.93 -3.38 116.57 119.17 3knk h LYS 203 Ca 0.03 -0.19 0.00 0.00 0.09 0.00 0.00 60.65 60.59 3knk h LYS 203 Cb 1.14 0.06 0.00 0.00 0.10 0.00 0.00 32.23 33.54 3knk h LYS 203 CO 0.08 1.04 0.00 0.00 -2.09 0.00 0.00 179.45 178.48 3knk n ALA 204 N -2.43 0.00 0.00 0.07 0.00 -1.26 -5.26 120.51 111.62 3knk n ALA 204 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3knk n ALA 204 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.37 3knk n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50