#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kno n VAL 2 N 0.00 1.13 -3.36 2.53 3.14 -1.25 -4.55 118.33 115.96 1kno n VAL 2 Ca 0.00 -0.50 0.02 0.00 -2.96 0.00 0.00 64.34 60.90 1kno n VAL 2 Cb 0.00 -0.29 -0.03 0.00 -1.06 0.00 0.00 33.84 32.45 1kno n VAL 2 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1kno s LYS 3 N -1.39 0.32 -0.12 1.45 2.20 0.11 -4.94 119.74 117.37 1kno s LYS 3 Ca 0.62 0.74 -0.06 0.00 -0.36 0.00 0.00 55.97 56.91 1kno s LYS 3 Cb -0.55 0.44 -0.04 0.00 -1.51 0.00 0.00 37.83 36.17 1kno s LYS 3 CO 0.61 -0.16 0.11 -0.51 -0.36 0.00 0.00 175.35 175.03 1kno s LEU 4 N 2.60 4.21 -0.30 5.43 1.02 -1.26 -1.36 118.68 129.01 1kno s LEU 4 Ca -0.01 0.38 -0.01 0.00 0.02 0.00 0.00 54.13 54.51 1kno s LEU 4 Cb -0.08 -2.02 0.10 0.00 0.02 0.00 0.00 46.19 44.21 1kno s LEU 4 CO -0.17 0.39 0.10 -0.69 0.02 0.00 0.00 176.35 176.00 1kno s VAL 5 N -0.91 0.68 0.65 -1.59 1.01 0.22 -4.30 120.40 116.16 1kno s VAL 5 Ca 0.14 -1.25 -0.16 0.00 0.00 0.00 0.00 61.98 60.72 1kno s VAL 5 Cb -0.12 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 1kno s VAL 5 CO 0.03 -0.67 1.13 -1.61 0.00 0.00 0.00 175.10 173.98 1kno s GLU 6 N 1.72 2.81 -0.30 2.72 8.01 -1.26 -2.18 118.70 130.22 1kno s GLU 6 Ca 0.09 1.50 -0.17 0.00 0.01 0.00 0.00 54.97 56.41 1kno s GLU 6 Cb -0.17 -1.94 0.18 0.00 -4.31 0.00 0.00 34.13 27.89 1kno s GLU 6 CO -0.27 -1.26 1.17 -1.54 0.01 0.00 0.00 175.26 173.37 1kno s SER 7 N -2.31 -0.25 0.00 -0.19 1.04 -0.04 -4.77 113.70 107.19 1kno s SER 7 Ca 0.70 0.26 0.00 0.00 0.48 0.00 0.00 55.95 57.39 1kno s SER 7 Cb -0.23 1.25 0.00 0.00 0.10 0.00 0.00 66.02 67.14 1kno s SER 7 CO 0.39 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.17 1kno n GLY 8 N 5.00 -0.28 3.75 7.32 0.00 -1.26 -1.92 105.19 117.80 1kno n GLY 8 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1kno n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kno s GLY 9 N 0.00 1.81 0.00 -0.02 0.00 -1.26 -4.70 107.32 103.14 1kno s GLY 9 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.14 1kno s GLY 9 CO 0.00 0.79 0.00 0.61 0.00 0.00 0.00 173.10 174.50 1kno n GLY 10 N -0.71 -0.29 3.72 0.20 0.00 -0.89 -4.90 105.19 102.32 1kno n GLY 10 Ca 0.10 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 1kno n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kno s LEU 11 N 0.00 4.36 -0.05 0.99 0.20 -1.26 -1.05 118.68 121.87 1kno s LEU 11 Ca 0.00 1.36 -0.01 0.00 0.69 0.00 0.00 54.13 56.18 1kno s LEU 11 Cb 0.00 -3.24 0.03 0.00 -0.43 0.00 0.00 46.19 42.55 1kno s LEU 11 CO 0.00 -0.13 0.01 -0.69 -0.29 0.00 0.00 176.35 175.25 1kno s VAL 12 N 0.69 0.22 0.59 1.68 1.01 0.16 -4.94 120.40 119.81 1kno s VAL 12 Ca 0.42 0.17 -0.20 0.00 0.00 0.00 0.00 61.98 62.36 1kno s VAL 12 Cb -0.19 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 1kno s VAL 12 CO 0.22 0.21 1.32 -1.10 0.00 0.00 0.00 175.10 175.75 1kno s GLN 13 N 1.71 2.89 0.70 2.72 -0.21 -1.25 -2.22 119.66 124.00 1kno s GLN 13 Ca 0.00 2.14 -0.16 0.00 0.02 0.00 0.00 55.36 57.36 1kno s GLN 13 Cb -0.13 -2.07 0.00 0.00 1.00 0.00 0.00 33.01 31.82 1kno s GLN 13 CO -0.03 -1.36 1.06 -0.35 -2.12 0.00 0.00 175.29 172.48 1kno n PRO 14 N -1.42 0.65 0.00 2.91 -0.04 -1.25 -1.36 135.00 134.48 1kno n PRO 14 Ca 0.13 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1kno n PRO 14 Cb 0.47 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 1kno n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kno n GLY 15 N 1.03 2.39 1.01 0.55 0.00 -0.05 -4.92 105.19 105.20 1kno n GLY 15 Ca 0.14 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 1kno n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kno n GLY 16 N 0.00 -3.42 3.19 -0.02 0.00 -0.46 -3.39 105.19 101.09 1kno n GLY 16 Ca 0.00 -1.31 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 1kno n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kno s SER 17 N -2.36 -0.05 0.02 1.61 0.01 -1.26 -2.42 113.70 109.25 1kno s SER 17 Ca 0.21 -0.19 -0.02 0.00 1.31 0.00 0.00 55.95 57.27 1kno s SER 17 Cb -0.03 0.29 -0.02 0.00 0.21 0.00 0.00 66.02 66.47 1kno s SER 17 CO 0.17 -0.50 0.00 -0.13 0.41 0.00 0.00 173.24 173.20 1kno s ARG 18 N -1.99 0.39 -0.21 12.44 1.81 -1.07 -4.99 118.95 125.33 1kno s ARG 18 Ca -0.09 -0.65 0.00 0.00 -1.72 0.00 0.00 55.73 53.26 1kno s ARG 18 Cb -0.03 0.14 0.05 0.00 -0.45 0.00 0.00 34.95 34.66 1kno s ARG 18 CO -0.00 -0.07 -0.05 0.21 -0.68 0.00 0.00 175.30 174.70 1kno s LYS 19 N -1.79 1.52 0.38 3.54 2.20 -1.26 -0.55 119.74 123.78 1kno s LYS 19 Ca -0.13 -0.78 -0.01 0.00 -0.36 0.00 0.00 55.97 54.69 1kno s LYS 19 Cb -0.07 -2.36 -0.03 0.00 -1.51 0.00 0.00 37.83 33.85 1kno s LYS 19 CO -0.02 -0.54 0.61 -0.51 -0.36 0.00 0.00 175.35 174.53 1kno s LEU 20 N 1.51 3.91 0.08 5.43 1.43 -0.71 -4.77 118.68 125.56 1kno s LEU 20 Ca -0.03 0.58 0.07 0.00 -1.03 0.00 0.00 54.13 53.72 1kno s LEU 20 Cb -0.17 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 1kno s LEU 20 CO -0.07 -0.37 -0.18 -0.44 0.23 0.00 0.00 176.35 175.52 1kno s SER 21 N -4.04 2.16 -0.25 2.29 0.01 -0.81 -2.39 113.70 110.68 1kno s SER 21 Ca 0.42 -0.63 -0.03 0.00 1.31 0.00 0.00 55.95 57.01 1kno s SER 21 Cb -0.10 -0.11 0.08 0.00 0.21 0.00 0.00 66.02 66.11 1kno s SER 21 CO 0.38 0.01 0.09 0.00 0.41 0.00 0.00 173.24 174.14 1kno s ALA 23 N 1.96 3.50 0.10 0.00 0.00 -0.93 -0.77 121.76 125.62 1kno s ALA 23 Ca 0.06 0.06 0.10 0.00 0.00 0.00 0.00 51.96 52.18 1kno s ALA 23 Cb -0.16 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1kno s ALA 23 CO -0.23 0.22 -0.25 0.00 0.00 0.00 0.00 175.76 175.50 1kno s ALA 24 N -0.45 2.18 -0.06 0.00 0.00 -0.42 0.72 121.76 123.72 1kno s ALA 24 Ca 0.31 -1.34 -0.19 0.00 0.00 0.00 0.00 51.96 50.74 1kno s ALA 24 Cb -0.19 -0.37 0.04 0.00 0.00 0.00 0.00 23.12 22.60 1kno s ALA 24 CO 0.18 0.49 0.44 -1.54 0.00 0.00 0.00 175.76 175.34 1kno s SER 25 N -1.77 -0.38 0.00 0.00 1.04 -0.46 -4.84 113.70 107.28 1kno s SER 25 Ca 0.11 0.46 0.00 0.00 0.48 0.00 0.00 55.95 57.00 1kno s SER 25 Cb -0.10 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1kno s SER 25 CO 0.04 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1kno n GLY 26 N 1.56 0.61 3.40 7.32 0.00 -1.26 0.09 105.19 116.91 1kno n GLY 26 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 1kno n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1kno s PHE 27 N -2.00 -0.08 -1.13 1.61 -0.71 -1.26 -4.19 117.98 110.22 1kno s PHE 27 Ca 0.00 -0.25 -0.21 0.00 -1.04 0.00 0.00 56.93 55.42 1kno s PHE 27 Cb 0.00 0.26 0.02 0.00 -1.21 0.00 0.00 43.02 42.10 1kno s PHE 27 CO 0.00 -0.79 1.70 0.95 -1.34 0.00 0.00 175.22 175.74 1kno s THR 28 N -3.85 3.87 0.28 -4.49 -4.23 -1.26 -4.78 115.64 101.18 1kno s THR 28 Ca 0.07 -1.15 -0.07 0.00 -1.18 0.00 0.00 61.69 59.36 1kno s THR 28 Cb 0.01 -4.89 0.45 0.00 1.34 0.00 0.00 72.50 69.41 1kno s THR 28 CO -0.07 -1.69 1.54 0.33 -0.54 0.00 0.00 174.62 174.19 1kno n PHE 29 N 10.24 0.38 0.00 3.99 7.35 -1.26 0.55 117.46 138.71 1kno n PHE 29 Ca 0.41 1.21 0.00 0.00 -0.76 0.00 0.00 57.45 58.31 1kno n PHE 29 Cb 0.48 -1.09 0.00 0.00 0.35 0.00 0.00 39.48 39.22 1kno n PHE 29 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1kno n SER 30 N -5.60 0.00 -0.03 -2.13 7.64 -1.26 -1.28 113.62 110.95 1kno n SER 30 Ca 0.16 0.16 0.04 0.00 1.01 0.00 0.00 58.87 60.25 1kno n SER 30 Cb 0.52 -0.16 -0.04 0.00 -1.01 0.00 0.00 64.21 63.52 1kno n SER 30 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1kno n SER 31 N -1.08 0.49 -4.43 6.43 7.64 0.19 -4.79 113.62 118.07 1kno n SER 31 Ca 0.00 -0.75 -0.27 0.00 1.01 0.00 0.00 58.87 58.86 1kno n SER 31 Cb 0.07 0.91 -0.12 0.00 -1.01 0.00 0.00 64.21 64.06 1kno n SER 31 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1kno s PHE 32 N -1.63 2.32 -0.03 1.43 0.40 -0.40 -4.84 117.98 115.22 1kno s PHE 32 Ca 0.04 -0.35 -0.18 0.00 -0.60 0.00 0.00 56.93 55.84 1kno s PHE 32 Cb 0.06 -1.16 -0.05 0.00 0.51 0.00 0.00 43.02 42.38 1kno s PHE 32 CO 0.30 0.49 0.49 0.20 0.70 0.00 0.00 175.22 177.39 1kno s GLY 33 N -2.63 2.50 0.48 4.36 0.00 -1.26 -4.09 107.32 106.68 1kno s GLY 33 Ca 0.20 -0.13 0.06 0.00 0.00 0.00 0.00 44.72 44.86 1kno s GLY 33 CO 0.10 0.53 0.66 1.06 0.00 0.00 0.00 173.10 175.44 1kno s MET 34 N -0.30 2.65 0.10 2.90 1.00 -1.02 0.44 119.30 125.08 1kno s MET 34 Ca 0.26 -1.17 -0.04 0.00 0.00 0.00 0.00 55.69 54.74 1kno s MET 34 Cb -0.17 -2.67 -0.03 0.00 0.00 0.00 0.00 34.83 31.97 1kno s MET 34 CO 0.14 -0.49 0.09 -1.01 0.00 0.00 0.00 175.02 173.74 1kno s HIS 35 N -2.52 0.54 -0.09 -0.03 3.76 -0.08 -2.52 115.29 114.36 1kno s HIS 35 Ca 0.57 -0.98 0.02 0.00 -0.15 0.00 0.00 55.06 54.52 1kno s HIS 35 Cb -0.09 -0.30 0.01 0.00 1.11 0.00 0.00 32.58 33.31 1kno s HIS 35 CO 0.35 -0.51 -0.15 -1.58 -0.85 0.00 0.00 174.74 172.01 1kno s TRP 36 N -3.96 1.78 -0.06 1.40 0.52 -0.89 -1.54 118.94 116.20 1kno s TRP 36 Ca 0.14 -0.75 0.03 0.00 0.02 0.00 0.00 56.10 55.53 1kno s TRP 36 Cb 0.06 -1.29 0.01 0.00 -1.15 0.00 0.00 33.47 31.11 1kno s TRP 36 CO -0.05 -0.38 -0.14 0.08 0.02 0.00 0.00 176.95 176.48 1kno s VAL 37 N 0.80 1.25 0.25 4.03 1.01 -0.80 -0.05 120.40 126.88 1kno s VAL 37 Ca -0.11 -0.56 0.10 0.00 0.00 0.00 0.00 61.98 61.41 1kno s VAL 37 Cb -0.16 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 1kno s VAL 37 CO 0.02 0.38 -0.11 0.00 0.00 0.00 0.00 175.10 175.38 1kno s ARG 38 N 0.48 1.97 -0.21 2.72 1.70 0.48 -0.99 118.95 125.09 1kno s ARG 38 Ca -0.12 -1.53 -0.04 0.00 -0.47 0.00 0.00 55.73 53.57 1kno s ARG 38 Cb -0.15 -1.99 0.10 0.00 -0.57 0.00 0.00 34.95 32.34 1kno s ARG 38 CO 0.04 0.37 0.23 -1.14 -1.08 0.00 0.00 175.30 173.71 1kno s GLN 39 N -3.39 0.20 0.29 3.89 0.74 -1.01 0.46 119.66 120.85 1kno s GLN 39 Ca 0.29 0.17 -0.29 0.00 0.05 0.00 0.00 55.36 55.58 1kno s GLN 39 Cb -0.06 -1.16 -0.10 0.00 1.10 0.00 0.00 33.01 32.78 1kno s GLN 39 CO 0.16 -0.69 1.31 0.00 -0.55 0.00 0.00 175.29 175.52 1kno s ALA 40 N 2.33 3.51 0.00 1.58 0.00 -1.25 -2.30 121.76 125.62 1kno s ALA 40 Ca 0.07 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1kno s ALA 40 Cb -0.16 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1kno s ALA 40 CO -0.14 -0.60 0.00 -2.30 0.00 0.00 0.00 175.76 172.72 1kno n PRO 41 N 1.34 0.00 -2.70 0.00 -0.02 -1.26 0.68 135.00 133.04 1kno n PRO 41 Ca 0.02 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.40 1kno n PRO 41 Cb 0.42 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 33.92 1kno n PRO 41 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1kno n GLU 42 N -0.21 1.14 -0.98 -0.52 1.02 -1.26 -5.08 120.64 114.75 1kno n GLU 42 Ca 0.00 -3.27 0.00 0.00 -0.02 0.00 0.00 57.16 53.87 1kno n GLU 42 Cb 0.00 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 1kno n GLU 42 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1kno n LYS 43 N -0.04 0.98 -2.02 3.49 5.02 0.22 -5.17 118.16 120.63 1kno n LYS 43 Ca 0.10 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.25 1kno n LYS 43 Cb 0.81 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.89 1kno n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kno n GLY 44 N 1.63 1.01 3.80 0.72 0.00 -1.26 -4.60 105.19 106.48 1kno n GLY 44 Ca 0.00 -2.05 -0.34 0.00 0.00 0.00 0.00 46.02 43.62 1kno n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kno s LEU 45 N 0.00 3.93 -0.13 0.99 1.43 -1.26 -3.96 118.68 119.68 1kno s LEU 45 Ca 0.43 1.92 -0.04 0.00 -1.03 0.00 0.00 54.13 55.42 1kno s LEU 45 Cb -0.03 -4.47 0.06 0.00 0.03 0.00 0.00 46.19 41.79 1kno s LEU 45 CO 0.29 -0.65 0.14 -0.70 0.23 0.00 0.00 176.35 175.66 1kno s GLU 46 N -3.04 0.07 0.32 1.70 2.12 0.17 -4.97 118.70 115.07 1kno s GLU 46 Ca 0.64 0.28 -0.29 0.00 0.36 0.00 0.00 54.97 55.96 1kno s GLU 46 Cb -0.17 -0.95 -0.11 0.00 0.26 0.00 0.00 34.13 33.16 1kno s GLU 46 CO 0.21 -0.49 1.49 -0.46 -0.54 0.00 0.00 175.26 175.46 1kno s TRP 47 N 2.25 2.76 -0.00 5.30 -0.00 -1.26 -0.39 118.94 127.59 1kno s TRP 47 Ca 0.04 1.05 0.00 0.00 -0.00 0.00 0.00 56.10 57.19 1kno s TRP 47 Cb -0.14 -3.96 -0.00 0.00 -0.00 0.00 0.00 33.47 29.36 1kno s TRP 47 CO -0.08 -3.00 -0.00 0.28 -0.00 0.00 0.00 176.95 174.15 1kno n VAL 48 N 1.34 0.02 -3.53 5.86 0.31 0.93 -4.62 118.33 118.63 1kno n VAL 48 Ca 0.04 -0.01 -0.07 0.00 -0.01 0.00 0.00 64.34 64.28 1kno n VAL 48 Cb 0.39 -0.80 -0.02 0.00 -0.91 0.00 0.00 33.84 32.51 1kno n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kno s ALA 49 N -2.01 -1.85 -0.19 3.52 0.00 -1.18 -1.95 121.76 118.09 1kno s ALA 49 Ca -0.00 1.02 -0.11 0.00 0.00 0.00 0.00 51.96 52.86 1kno s ALA 49 Cb 0.00 0.37 0.06 0.00 0.00 0.00 0.00 23.12 23.55 1kno s ALA 49 CO 0.01 -0.71 0.47 -0.47 0.00 0.00 0.00 175.76 175.06 1kno s TYR 50 N -3.04 -0.69 -0.18 0.00 5.04 -1.09 -2.09 117.35 115.30 1kno s TYR 50 Ca 0.06 1.46 0.00 0.00 -2.44 0.00 0.00 57.07 56.15 1kno s TYR 50 Cb -0.01 0.34 0.04 0.00 0.35 0.00 0.00 41.96 42.68 1kno s TYR 50 CO -0.08 -0.38 -0.09 -1.50 -1.34 0.00 0.00 175.55 172.16 1kno s ILE 51 N 1.38 1.49 0.94 3.14 2.07 -1.05 -0.44 121.20 128.73 1kno s ILE 51 Ca -0.09 -0.85 -0.12 0.00 -1.41 0.00 0.00 60.65 58.18 1kno s ILE 51 Cb -0.07 -1.56 0.07 0.00 0.13 0.00 0.00 42.46 41.02 1kno s ILE 51 CO -0.13 0.20 0.64 -1.54 -1.91 0.00 0.00 174.94 172.19 1kno n SER 52 N 4.75 -1.33 -0.27 4.50 3.41 -0.32 -2.44 113.62 121.92 1kno n SER 52 Ca -0.14 0.36 0.07 0.00 -0.26 0.00 0.00 58.87 58.89 1kno n SER 52 Cb 0.47 -1.29 0.19 0.00 -0.26 0.00 0.00 64.21 63.32 1kno n SER 52 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1kno h SER 53 N -1.68 -0.32 -0.07 4.04 4.64 -1.89 0.18 113.55 118.46 1kno h SER 53 Ca -0.43 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1kno h SER 53 Cb 1.28 0.35 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 1kno h SER 53 CO 0.36 -0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 1kno n GLY 54 N -1.42 -0.34 2.31 -0.77 0.00 -1.26 -4.91 105.19 98.80 1kno n GLY 54 Ca 0.15 -0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 1kno n GLY 54 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kno n SER 55 N -0.23 -4.79 -2.77 1.61 7.64 0.05 -4.92 113.62 110.22 1kno n SER 55 Ca 0.16 -0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.81 1kno n SER 55 Cb 0.21 -3.90 -0.01 0.00 -1.01 0.00 0.00 64.21 59.50 1kno n SER 55 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1kno n SER 56 N -1.05 3.56 0.00 6.43 3.41 -1.26 -4.87 113.62 119.84 1kno n SER 56 Ca -0.19 -3.45 0.00 0.00 -0.26 0.00 0.00 58.87 54.97 1kno n SER 56 Cb 0.64 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1kno n SER 56 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1kno n THR 57 N -0.22 0.00 -4.48 6.66 -1.04 -1.26 -4.90 114.28 109.03 1kno n THR 57 Ca 0.30 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 62.07 1kno n THR 57 Cb 0.59 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.97 1kno n THR 57 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1kno s ILE 58 N 0.00 1.54 0.18 12.58 1.01 -1.26 -1.17 121.20 134.08 1kno s ILE 58 Ca 0.00 -1.24 0.06 0.00 0.00 0.00 0.00 60.65 59.47 1kno s ILE 58 Cb 0.00 -1.37 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 1kno s ILE 58 CO 0.00 0.09 -0.11 -0.31 0.00 0.00 0.00 174.94 174.61 1kno s TYR 59 N -0.91 1.50 0.00 3.97 2.02 0.41 -4.97 117.35 119.37 1kno s TYR 59 Ca 0.06 -0.70 -0.10 0.00 -0.37 0.00 0.00 57.07 55.96 1kno s TYR 59 Cb -0.09 -0.75 0.01 0.00 -0.40 0.00 0.00 41.96 40.73 1kno s TYR 59 CO 0.02 0.19 0.20 0.71 -1.57 0.00 0.00 175.55 175.10 1kno s TYR 60 N -3.18 -0.02 0.22 2.71 2.02 -1.26 -2.66 117.35 115.17 1kno s TYR 60 Ca 0.21 -0.03 -0.30 0.00 -0.37 0.00 0.00 57.07 56.58 1kno s TYR 60 Cb 0.02 -0.00 -0.09 0.00 -0.40 0.00 0.00 41.96 41.49 1kno s TYR 60 CO 0.04 -0.34 1.12 0.00 -1.57 0.00 0.00 175.55 174.80 1kno s ALA 61 N -1.55 3.40 0.41 3.71 0.00 -0.82 -4.85 121.76 122.07 1kno s ALA 61 Ca -0.13 0.88 0.18 0.00 0.00 0.00 0.00 51.96 52.90 1kno s ALA 61 Cb -0.06 -3.36 1.09 0.00 0.00 0.00 0.00 23.12 20.80 1kno s ALA 61 CO 0.02 -0.23 1.83 -0.44 0.00 0.00 0.00 175.76 176.94 1kno h ASP 62 N 4.56 0.41 0.03 0.00 3.32 -1.92 0.27 116.42 123.11 1kno h ASP 62 Ca -0.45 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 1kno h ASP 62 Cb 1.21 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 1kno h ASP 62 CO 0.70 0.14 -0.04 0.71 -1.72 0.00 0.00 179.24 179.04 1kno h THR 63 N 0.40 1.04 0.00 0.35 1.35 -1.95 -3.12 112.91 110.98 1kno h THR 63 Ca 0.50 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 66.20 1kno h THR 63 Cb 1.27 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1kno h THR 63 CO -0.20 0.05 -0.48 1.33 -0.25 0.00 0.00 175.52 175.96 1kno n VAL 64 N -4.48 0.00 -1.22 6.82 0.24 0.74 -5.00 118.33 115.42 1kno n VAL 64 Ca -0.03 -0.30 -0.48 0.00 -2.04 0.00 0.00 64.34 61.50 1kno n VAL 64 Cb 0.13 0.93 -0.07 0.00 -1.47 0.00 0.00 33.84 33.36 1kno n VAL 64 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1kno n LYS 65 N -1.25 0.00 0.00 7.34 5.02 0.10 -2.22 118.16 127.14 1kno n LYS 65 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1kno n LYS 65 Cb 0.14 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1kno n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kno n GLY 66 N 1.38 1.90 0.16 0.72 0.00 -1.26 -4.66 105.19 103.43 1kno n GLY 66 Ca 0.17 -0.22 0.03 0.00 0.00 0.00 0.00 46.02 46.00 1kno n GLY 66 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1kno h ARG 67 N 0.00 0.00 -6.18 1.61 3.08 -1.71 -3.45 114.38 107.73 1kno h ARG 67 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 1kno h ARG 67 Cb 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 29.94 1kno h ARG 67 CO 0.00 0.49 -0.62 -0.06 -1.07 0.00 0.00 179.97 178.71 1kno s PHE 68 N -3.39 3.15 -0.13 3.04 0.40 -1.11 -1.75 117.98 118.18 1kno s PHE 68 Ca 0.01 0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.42 1kno s PHE 68 Cb 0.10 -1.64 0.02 0.00 0.51 0.00 0.00 43.02 42.02 1kno s PHE 68 CO 0.72 0.51 -0.12 0.99 0.70 0.00 0.00 175.22 178.02 1kno s THR 69 N -1.28 1.36 0.36 0.64 2.01 0.89 -4.91 115.64 114.71 1kno s THR 69 Ca 0.26 -0.50 -0.01 0.00 0.31 0.00 0.00 61.69 61.74 1kno s THR 69 Cb -0.12 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 1kno s THR 69 CO 0.18 0.42 0.59 -0.51 -0.69 0.00 0.00 174.62 174.61 1kno s ILE 70 N 1.56 5.06 -0.21 1.82 2.07 -1.26 0.61 121.20 130.84 1kno s ILE 70 Ca 0.05 -0.27 -0.35 0.00 -1.41 0.00 0.00 60.65 58.67 1kno s ILE 70 Cb -0.13 -3.84 0.15 0.00 0.13 0.00 0.00 42.46 38.77 1kno s ILE 70 CO -0.10 -0.57 1.24 -0.94 -1.91 0.00 0.00 174.94 172.67 1kno s SER 71 N -3.91 -0.11 0.03 4.50 1.04 -0.78 -4.92 113.70 109.55 1kno s SER 71 Ca 0.42 0.02 -0.03 0.00 0.48 0.00 0.00 55.95 56.83 1kno s SER 71 Cb -0.10 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.12 1kno s SER 71 CO 0.37 -0.18 0.04 0.00 0.98 0.00 0.00 173.24 174.44 1kno s ARG 72 N -2.20 0.52 -0.68 4.02 1.70 -1.26 0.25 118.95 121.30 1kno s ARG 72 Ca 0.09 -0.80 0.05 0.00 -0.47 0.00 0.00 55.73 54.60 1kno s ARG 72 Cb -0.01 0.20 0.19 0.00 -0.57 0.00 0.00 34.95 34.76 1kno s ARG 72 CO -0.04 -0.11 0.56 -3.47 -1.08 0.00 0.00 175.30 171.15 1kno n ASP 73 N 0.86 3.09 -0.26 -2.89 2.03 0.37 -5.00 116.55 114.75 1kno n ASP 73 Ca -0.19 -3.25 0.15 0.00 0.52 0.00 0.00 54.79 52.02 1kno n ASP 73 Cb 0.58 -0.73 0.28 0.00 -0.72 0.00 0.00 41.12 40.54 1kno n ASP 73 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1kno n ASN 74 N 1.67 -0.00 0.10 1.67 3.02 -1.26 0.09 115.26 120.54 1kno n ASN 74 Ca 0.23 1.31 0.00 0.00 -0.03 0.00 0.00 54.58 56.09 1kno n ASN 74 Cb 0.37 -0.52 0.31 0.00 -0.61 0.00 0.00 39.78 39.33 1kno n ASN 74 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1kno h PRO 75 N 0.00 0.26 -0.69 3.52 0.13 -1.96 -2.75 132.00 130.51 1kno h PRO 75 Ca 0.52 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.56 1kno h PRO 75 Cb 1.16 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1kno h PRO 75 CO -0.70 0.50 0.00 1.63 -0.23 0.00 0.00 178.00 179.20 1kno n LYS 76 N -4.16 3.45 -3.98 0.86 5.02 0.11 -4.95 118.16 114.51 1kno n LYS 76 Ca -0.01 -2.08 -0.29 0.00 -2.02 0.00 0.00 58.31 53.91 1kno n LYS 76 Cb 0.36 -1.94 -0.05 0.00 -0.02 0.00 0.00 35.03 33.38 1kno n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1kno n ASN 77 N 0.49 -0.43 -3.79 4.39 4.13 -1.04 -4.87 115.26 114.14 1kno n ASN 77 Ca 0.18 -1.04 -0.18 0.00 1.68 0.00 0.00 54.58 55.22 1kno n ASN 77 Cb 0.83 -1.28 -0.17 0.00 -1.54 0.00 0.00 39.78 37.63 1kno n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1kno s THR 78 N -4.03 0.18 0.27 3.41 2.01 -1.24 -1.31 115.64 114.94 1kno s THR 78 Ca 0.12 0.13 -0.00 0.00 0.31 0.00 0.00 61.69 62.25 1kno s THR 78 Cb -0.07 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.11 1kno s THR 78 CO 0.80 0.17 0.47 -0.22 -0.69 0.00 0.00 174.62 175.15 1kno s LEU 79 N 1.29 4.13 0.06 4.42 2.96 0.05 -0.48 118.68 131.12 1kno s LEU 79 Ca -0.06 0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 54.24 1kno s LEU 79 Cb -0.13 -3.24 -0.03 0.00 0.50 0.00 0.00 46.19 43.30 1kno s LEU 79 CO -0.02 -0.17 0.05 -0.36 -1.32 0.00 0.00 176.35 174.53 1kno s PHE 80 N -2.09 0.39 -0.19 5.38 0.40 0.71 -1.28 117.98 121.30 1kno s PHE 80 Ca 0.39 -0.89 -0.04 0.00 -0.60 0.00 0.00 56.93 55.79 1kno s PHE 80 Cb -0.10 -0.27 0.09 0.00 0.51 0.00 0.00 43.02 43.25 1kno s PHE 80 CO 0.32 -0.44 0.21 -1.17 0.70 0.00 0.00 175.22 174.84 1kno s LEU 81 N -2.89 -0.07 -0.21 -0.37 0.20 -1.00 -1.86 118.68 112.47 1kno s LEU 81 Ca 0.06 -0.22 -0.13 0.00 0.69 0.00 0.00 54.13 54.53 1kno s LEU 81 Cb 0.07 0.33 -0.05 0.00 -0.43 0.00 0.00 46.19 46.11 1kno s LEU 81 CO -0.10 -0.32 0.27 -1.58 -0.29 0.00 0.00 176.35 174.32 1kno s GLN 82 N 2.31 4.14 -0.00 1.98 2.00 0.20 -1.74 119.66 128.55 1kno s GLN 82 Ca 0.06 -0.04 0.01 0.00 -2.00 0.00 0.00 55.36 53.40 1kno s GLN 82 Cb -0.16 -3.52 -0.04 0.00 0.80 0.00 0.00 33.01 30.10 1kno s GLN 82 CO -0.11 0.06 0.00 -1.64 -0.50 0.00 0.00 175.29 173.10 1kno s MET 83 N 1.04 2.79 -0.09 1.67 -1.94 0.29 -0.08 119.30 122.98 1kno s MET 83 Ca 0.13 -0.60 -0.07 0.00 -1.71 0.00 0.00 55.69 53.43 1kno s MET 83 Cb -0.14 -2.67 0.03 0.00 2.01 0.00 0.00 34.83 34.06 1kno s MET 83 CO 0.05 0.63 0.23 0.99 -0.01 0.00 0.00 175.02 176.91 1kno s THR 84 N -1.08 -0.01 -0.56 2.05 2.01 -0.72 -2.61 115.64 114.73 1kno s THR 84 Ca 0.19 0.03 -0.02 0.00 0.31 0.00 0.00 61.69 62.20 1kno s THR 84 Cb -0.11 -0.34 0.00 0.00 0.01 0.00 0.00 72.50 72.06 1kno s THR 84 CO 0.10 0.01 0.32 -1.20 -0.69 0.00 0.00 174.62 173.16 1kno n SER 85 N 3.22 -3.44 -4.49 3.53 7.64 -1.13 -4.58 113.62 114.38 1kno n SER 85 Ca -0.15 -0.15 -0.49 0.00 1.01 0.00 0.00 58.87 59.09 1kno n SER 85 Cb 0.57 -2.21 -0.06 0.00 -1.01 0.00 0.00 64.21 61.51 1kno n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1kno n LEU 86 N -1.90 2.42 0.00 -3.43 4.77 -1.01 -4.53 117.00 113.32 1kno n LEU 86 Ca -0.02 0.38 -0.02 0.00 -0.03 0.00 0.00 56.01 56.31 1kno n LEU 86 Cb 0.54 -1.33 0.02 0.00 -2.33 0.00 0.00 43.42 40.31 1kno n LEU 86 CO 0.21 -0.71 0.07 0.54 -1.33 0.00 0.00 177.39 176.17 1kno n ARG 87 N 8.28 0.21 0.02 3.23 1.74 -1.26 -0.87 116.66 128.01 1kno n ARG 87 Ca 0.38 -0.23 -0.19 0.00 -0.77 0.00 0.00 57.85 57.04 1kno n ARG 87 Cb 0.28 -0.10 -0.09 0.00 -1.02 0.00 0.00 32.46 31.53 1kno n ARG 87 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1kno h SER 88 N -0.11 0.93 -0.30 0.55 0.02 -1.93 -2.99 113.55 109.72 1kno h SER 88 Ca -0.04 -0.70 0.09 0.00 -0.84 0.00 0.00 61.79 60.30 1kno h SER 88 Cb 0.11 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1kno h SER 88 CO 0.03 1.50 0.22 -0.33 -1.14 0.00 0.00 176.83 177.10 1kno h GLU 89 N 0.45 0.00 0.00 3.45 3.07 -1.95 0.71 114.58 120.31 1kno h GLU 89 Ca -0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1kno h GLU 89 Cb 1.59 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.50 1kno h GLU 89 CO 0.19 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.55 1kno n ASP 90 N -4.42 0.00 -4.68 1.42 8.00 -1.13 -4.64 116.55 111.10 1kno n ASP 90 Ca 0.04 0.43 -0.42 0.00 0.71 0.00 0.00 54.79 55.54 1kno n ASP 90 Cb 0.38 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 41.01 1kno n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1kno s THR 91 N -2.88 3.11 -0.89 -3.53 2.01 0.24 -4.90 115.64 108.80 1kno s THR 91 Ca 0.02 0.48 0.00 0.00 0.31 0.00 0.00 61.69 62.50 1kno s THR 91 Cb 0.02 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.22 1kno s THR 91 CO 0.06 -0.01 0.00 0.00 -0.69 0.00 0.00 174.62 173.98 1kno n ALA 92 N 5.97 0.00 -2.72 7.40 0.00 -1.01 -4.49 120.51 125.66 1kno n ALA 92 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.24 1kno n ALA 92 Cb 0.41 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.75 1kno n ALA 92 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1kno s MET 93 N -1.08 3.95 -0.48 0.00 -2.45 -0.97 -1.96 119.30 116.31 1kno s MET 93 Ca 0.00 -0.33 -0.16 0.00 -1.25 0.00 0.00 55.69 53.96 1kno s MET 93 Cb 0.00 -3.51 0.08 0.00 1.25 0.00 0.00 34.83 32.65 1kno s MET 93 CO 0.00 -0.04 0.42 0.71 1.05 0.00 0.00 175.02 177.16 1kno s TYR 94 N 1.31 3.24 0.35 4.11 1.51 0.30 -2.40 117.35 125.78 1kno s TYR 94 Ca 0.07 -0.97 -0.01 0.00 -1.01 0.00 0.00 57.07 55.14 1kno s TYR 94 Cb -0.14 -3.27 -0.04 0.00 -0.11 0.00 0.00 41.96 38.40 1kno s TYR 94 CO 0.06 -0.84 0.58 0.71 -1.11 0.00 0.00 175.55 174.96 1kno s TYR 95 N 1.66 3.51 0.14 2.71 1.51 -0.17 -1.49 117.35 125.22 1kno s TYR 95 Ca 0.04 0.47 0.09 0.00 -1.01 0.00 0.00 57.07 56.66 1kno s TYR 95 Cb -0.25 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 39.57 1kno s TYR 95 CO 0.06 0.07 -0.21 0.00 -1.11 0.00 0.00 175.55 174.37 1kno s ALA 97 N -1.53 -0.91 0.31 0.00 0.00 -0.59 -1.17 121.76 117.88 1kno s ALA 97 Ca 0.12 1.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.81 1kno s ALA 97 Cb -0.08 -0.57 -0.10 0.00 0.00 0.00 0.00 23.12 22.37 1kno s ALA 97 CO 0.06 -0.18 1.17 0.50 0.00 0.00 0.00 175.76 177.31 1kno s ARG 98 N 0.12 4.47 0.00 0.00 3.52 -0.78 -0.90 118.95 125.38 1kno s ARG 98 Ca -0.01 1.93 0.00 0.00 -0.13 0.00 0.00 55.73 57.52 1kno s ARG 98 Cb -0.03 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.29 1kno s ARG 98 CO 0.01 0.01 0.00 0.41 -0.81 0.00 0.00 175.30 174.92 1kno n GLY 99 N 0.98 3.24 3.37 8.12 0.00 0.17 -4.47 105.19 116.59 1kno n GLY 99 Ca 0.00 -1.78 -0.19 0.00 0.00 0.00 0.00 46.02 44.05 1kno n GLY 99 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kno n ASP 100 N 0.00 -4.15 0.32 1.61 8.00 -1.26 -4.67 116.55 116.40 1kno n ASP 100 Ca 0.00 -0.54 0.18 0.00 0.71 0.00 0.00 54.79 55.14 1kno n ASP 100 Cb 0.00 -4.78 0.94 0.00 -0.02 0.00 0.00 41.12 37.26 1kno n ASP 100 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1kno h TYR 101 N -2.17 0.00 -1.20 1.24 -1.99 -1.91 -2.71 116.97 108.23 1kno h TYR 101 Ca -0.54 0.00 -0.34 0.00 2.00 0.00 0.00 58.73 59.85 1kno h TYR 101 Cb 1.33 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 40.03 1kno h TYR 101 CO 0.44 0.00 0.95 0.71 -0.00 0.00 0.00 178.16 180.26 1kno s TYR 102 N -4.04 1.56 0.00 4.88 1.51 -1.26 -3.88 117.35 116.12 1kno s TYR 102 Ca -0.04 1.01 0.00 0.00 -1.01 0.00 0.00 57.07 57.04 1kno s TYR 102 Cb 0.10 -3.91 0.00 0.00 -0.11 0.00 0.00 41.96 38.04 1kno s TYR 102 CO 0.31 -2.01 0.00 0.41 -1.11 0.00 0.00 175.55 173.16 1kno n GLY 103 N 6.35 1.56 0.28 0.71 0.00 -1.26 -4.84 105.19 107.99 1kno n GLY 103 Ca 0.34 -0.17 0.20 0.00 0.00 0.00 0.00 46.02 46.39 1kno n GLY 103 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kno n SER 104 N 2.16 0.00 0.00 1.61 3.41 -1.02 -4.77 113.62 115.01 1kno n SER 104 Ca 0.00 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1kno n SER 104 Cb 0.00 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1kno n SER 104 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1kno n ARG 105 N -2.64 0.00 -0.36 4.33 0.63 -1.26 -4.89 116.66 112.48 1kno n ARG 105 Ca 0.16 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.79 1kno n ARG 105 Cb 0.79 0.00 0.29 0.00 0.45 0.00 0.00 32.46 33.99 1kno n ARG 105 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1kno s GLY 106 N 0.00 1.40 -0.30 5.14 0.00 -1.26 -5.06 107.32 107.24 1kno s GLY 106 Ca 0.00 -0.88 -0.11 0.00 0.00 0.00 0.00 44.72 43.74 1kno s GLY 106 CO 0.00 0.16 0.80 0.00 0.00 0.00 0.00 173.10 174.06 1kno s ALA 107 N -2.26 -2.45 -0.06 3.20 0.00 -1.26 -4.90 121.76 114.03 1kno s ALA 107 Ca 0.69 2.07 0.00 0.00 0.00 0.00 0.00 51.96 54.72 1kno s ALA 107 Cb -0.12 -2.01 0.02 0.00 0.00 0.00 0.00 23.12 21.01 1kno s ALA 107 CO 0.57 -1.05 -0.04 0.71 0.00 0.00 0.00 175.76 175.95 1kno s TYR 108 N 2.74 0.87 0.38 0.00 2.02 -1.26 -5.05 117.35 117.04 1kno s TYR 108 Ca 0.00 -0.29 0.07 0.00 -0.37 0.00 0.00 57.07 56.49 1kno s TYR 108 Cb -0.10 -0.81 -0.00 0.00 -0.40 0.00 0.00 41.96 40.64 1kno s TYR 108 CO -0.18 -0.29 0.50 -1.58 -1.57 0.00 0.00 175.55 172.43 1kno s TRP 109 N 1.36 2.93 0.00 2.71 0.52 -1.26 -1.87 118.94 123.33 1kno s TRP 109 Ca -0.04 -0.33 0.00 0.00 0.02 0.00 0.00 56.10 55.76 1kno s TRP 109 Cb -0.13 -2.16 0.00 0.00 -1.15 0.00 0.00 33.47 30.02 1kno s TRP 109 CO -0.03 -0.19 0.00 0.41 0.02 0.00 0.00 176.95 177.17 1kno n GLY 110 N -1.71 1.77 0.07 0.98 0.00 -0.31 -4.62 105.19 101.37 1kno n GLY 110 Ca 0.04 -2.06 0.03 0.00 0.00 0.00 0.00 46.02 44.02 1kno n GLY 110 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1kno n GLN 111 N -0.50 0.65 0.00 1.61 6.02 -1.26 -4.86 117.38 119.04 1kno n GLN 111 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1kno n GLN 111 Cb 0.00 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 29.61 1kno n GLN 111 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kno n GLY 112 N 1.41 -0.89 3.41 1.08 0.00 -1.26 -4.95 105.19 103.99 1kno n GLY 112 Ca -0.12 -1.38 -0.28 0.00 0.00 0.00 0.00 46.02 44.25 1kno n GLY 112 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1kno s THR 113 N -2.10 2.31 -0.21 2.61 -1.32 -0.55 -4.85 115.64 111.52 1kno s THR 113 Ca 0.00 -1.92 -0.04 0.00 -1.21 0.00 0.00 61.69 58.51 1kno s THR 113 Cb 0.00 -2.07 -0.02 0.00 -1.51 0.00 0.00 72.50 68.90 1kno s THR 113 CO 0.00 -0.04 -0.02 -0.22 -2.21 0.00 0.00 174.62 172.13 1kno s LEU 114 N -2.43 3.04 -0.20 9.08 2.96 -1.26 0.11 118.68 129.98 1kno s LEU 114 Ca 0.18 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.78 1kno s LEU 114 Cb -0.09 -1.77 0.02 0.00 0.50 0.00 0.00 46.19 44.85 1kno s LEU 114 CO 0.08 0.02 -0.15 0.54 -1.32 0.00 0.00 176.35 175.52 1kno s VAL 115 N 1.27 2.38 -0.20 1.68 0.11 -0.83 -2.10 120.40 122.72 1kno s VAL 115 Ca 0.03 -0.92 -0.07 0.00 -2.93 0.00 0.00 61.98 58.09 1kno s VAL 115 Cb -0.14 -2.07 -0.03 0.00 -1.53 0.00 0.00 36.38 32.60 1kno s VAL 115 CO -0.00 0.44 0.05 -0.89 -3.33 0.00 0.00 175.10 171.36 1kno s THR 116 N 1.31 4.46 -0.29 5.04 2.01 -0.21 -2.41 115.64 125.55 1kno s THR 116 Ca 0.04 -0.14 -0.01 0.00 0.31 0.00 0.00 61.69 61.88 1kno s THR 116 Cb -0.14 -3.03 0.05 0.00 0.01 0.00 0.00 72.50 69.39 1kno s THR 116 CO -0.10 0.42 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.54 1kno s VAL 117 N 0.82 2.84 0.13 3.82 1.01 -1.26 0.39 120.40 128.16 1kno s VAL 117 Ca 0.03 -1.39 -0.13 0.00 0.00 0.00 0.00 61.98 60.49 1kno s VAL 117 Cb -0.14 -2.62 0.05 0.00 0.00 0.00 0.00 36.38 33.67 1kno s VAL 117 CO 0.02 -0.06 0.62 -1.54 0.00 0.00 0.00 175.10 174.14 1kno n SER 118 N 4.60 -1.14 0.00 3.32 3.41 -0.94 -4.31 113.62 118.56 1kno n SER 118 Ca -0.14 -1.63 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 1kno n SER 118 Cb 0.43 1.86 0.00 0.00 -0.26 0.00 0.00 64.21 66.24 1kno n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kno n ALA 119 N -1.59 0.00 -0.29 7.33 0.00 -1.26 -3.85 120.51 120.86 1kno n ALA 119 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1kno n ALA 119 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1kno n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kno n ALA 120 N -3.00 0.00 -3.61 0.00 0.00 -1.26 -4.88 120.51 107.76 1kno n ALA 120 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1kno n ALA 120 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1kno n ALA 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1kno s LYS 121 N 0.00 0.61 -0.87 0.00 0.00 -1.26 -5.08 119.74 113.14 1kno s LYS 121 Ca 0.00 0.97 -0.20 0.00 0.00 0.00 0.00 55.97 56.75 1kno s LYS 121 Cb 0.00 0.15 -0.22 0.00 0.00 0.00 0.00 37.83 37.76 1kno s LYS 121 CO 0.00 -0.13 2.34 2.41 0.00 0.00 0.00 175.35 179.96 1kno n THR 124 N 3.82 -0.01 -3.97 3.79 -1.04 -1.26 -4.73 114.28 110.87 1kno n THR 124 Ca -0.19 -0.48 -0.35 0.00 -2.04 0.00 0.00 64.05 60.99 1kno n THR 124 Cb 0.57 -1.14 -0.10 0.00 -1.82 0.00 0.00 70.33 67.84 1kno n THR 124 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1kno s THR 125 N 8.18 4.75 0.31 12.58 2.01 0.15 -4.95 115.64 138.67 1kno s THR 125 Ca 1.13 -0.04 -0.28 0.00 0.31 0.00 0.00 61.69 62.80 1kno s THR 125 Cb -0.52 -3.15 -0.09 0.00 0.01 0.00 0.00 72.50 68.74 1kno s THR 125 CO 0.33 0.44 1.11 0.00 -0.69 0.00 0.00 174.62 175.81 1kno s ALA 126 N 0.54 3.34 0.59 7.40 0.00 -1.26 -1.32 121.76 131.05 1kno s ALA 126 Ca 0.03 0.89 -0.07 0.00 0.00 0.00 0.00 51.96 52.82 1kno s ALA 126 Cb -0.13 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1kno s ALA 126 CO 0.01 -0.23 0.92 -1.25 0.00 0.00 0.00 175.76 175.21 1kno s PRO 127 N -1.70 3.03 0.04 0.00 0.04 -1.26 -4.53 135.00 130.62 1kno s PRO 127 Ca 0.48 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.65 1kno s PRO 127 Cb -0.31 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 1kno s PRO 127 CO 0.39 -0.67 0.13 -1.12 0.04 0.00 0.00 177.00 175.77 1kno s SER 128 N -4.28 5.91 -0.21 6.66 0.01 -0.95 -4.96 113.70 115.89 1kno s SER 128 Ca 0.54 0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.96 1kno s SER 128 Cb -0.11 -1.72 0.05 0.00 0.21 0.00 0.00 66.02 64.45 1kno s SER 128 CO 0.46 0.21 -0.10 -0.69 0.41 0.00 0.00 173.24 173.54 1kno s VAL 129 N -1.36 1.69 -0.19 3.43 1.01 -1.26 -2.19 120.40 121.54 1kno s VAL 129 Ca 0.29 -1.12 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 1kno s VAL 129 Cb -0.12 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1kno s VAL 129 CO 0.21 0.11 0.01 -0.31 0.00 0.00 0.00 175.10 175.12 1kno s TYR 130 N 1.36 3.09 0.02 5.22 2.02 0.92 -4.95 117.35 125.02 1kno s TYR 130 Ca -0.03 -0.28 -0.30 0.00 -0.37 0.00 0.00 57.07 56.09 1kno s TYR 130 Cb -0.17 -2.06 -0.04 0.00 -0.40 0.00 0.00 41.96 39.29 1kno s TYR 130 CO -0.08 -0.10 1.05 -1.25 -1.57 0.00 0.00 175.55 173.61 1kno s PRO 131 N 0.71 4.52 -1.11 -1.71 0.04 -1.26 -0.24 135.00 135.95 1kno s PRO 131 Ca 0.00 1.53 -0.11 0.00 0.04 0.00 0.00 61.00 62.46 1kno s PRO 131 Cb -0.14 -3.42 0.23 0.00 0.04 0.00 0.00 34.50 31.21 1kno s PRO 131 CO 0.02 -0.11 1.18 -0.51 0.04 0.00 0.00 177.00 177.62 1kno s LEU 132 N 1.00 5.93 0.05 -3.56 1.43 0.47 -4.92 118.68 119.08 1kno s LEU 132 Ca 0.54 -3.26 -0.30 0.00 -1.03 0.00 0.00 54.13 50.08 1kno s LEU 132 Cb -0.24 -2.28 -0.05 0.00 0.03 0.00 0.00 46.19 43.65 1kno s LEU 132 CO 0.28 -0.49 1.16 0.00 0.23 0.00 0.00 176.35 177.54 1kno s ALA 133 N -0.08 3.35 0.00 4.21 0.00 -1.26 -2.00 121.76 125.98 1kno s ALA 133 Ca 0.33 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1kno s ALA 133 Cb -0.08 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1kno s ALA 133 CO -0.06 -0.40 0.03 -2.30 0.00 0.00 0.00 175.76 173.03 1kno n PRO 134 N 3.92 0.00 -0.19 0.00 -0.02 -1.26 -4.73 135.00 132.72 1kno n PRO 134 Ca 0.08 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1kno n PRO 134 Cb 0.47 -0.34 0.00 0.00 -0.02 0.00 0.00 33.50 33.61 1kno n PRO 134 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1kno n VAL 135 N -0.08 0.00 0.00 -1.45 3.14 -1.26 -2.76 118.33 115.92 1kno n VAL 135 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1kno n VAL 135 Cb 0.00 -0.19 0.00 0.00 -1.06 0.00 0.00 33.84 32.59 1kno n VAL 135 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1kno n GLY 137 N 0.00 3.14 0.00 0.00 0.00 -1.11 -4.84 105.19 102.38 1kno n GLY 137 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1kno n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kno n ASP 138 N 0.78 0.00 0.00 1.61 9.92 -1.26 -3.47 116.55 124.13 1kno n ASP 138 Ca 0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 1kno n ASP 138 Cb 0.58 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.06 1kno n ASP 138 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1kno n THR 141 N -0.41 0.00 0.00 -3.53 -2.24 -1.26 -2.10 114.28 104.74 1kno n THR 141 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1kno n THR 141 Cb 0.00 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 1kno n THR 141 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1kno n THR 142 N -1.11 0.00 0.00 4.28 -1.04 -1.26 -4.78 114.28 110.37 1kno n THR 142 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1kno n THR 142 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1kno n THR 142 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1kno n GLY 143 N 0.00 2.57 0.09 3.41 0.00 -0.89 -4.66 105.19 105.72 1kno n GLY 143 Ca 0.00 -0.56 0.13 0.00 0.00 0.00 0.00 46.02 45.59 1kno n GLY 143 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kno n SER 144 N 1.15 0.55 -4.23 1.61 3.41 -1.26 -4.79 113.62 110.07 1kno n SER 144 Ca 0.00 -0.39 -0.23 0.00 -0.26 0.00 0.00 58.87 57.99 1kno n SER 144 Cb 0.00 0.03 -0.13 0.00 -0.26 0.00 0.00 64.21 63.85 1kno n SER 144 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1kno s SER 145 N -2.74 2.25 -0.18 4.04 1.04 -1.26 -2.43 113.70 114.42 1kno s SER 145 Ca 0.19 -0.56 -0.02 0.00 0.48 0.00 0.00 55.95 56.04 1kno s SER 145 Cb 0.19 -0.15 0.05 0.00 0.10 0.00 0.00 66.02 66.21 1kno s SER 145 CO 0.57 0.09 0.00 0.54 0.98 0.00 0.00 173.24 175.42 1kno s VAL 146 N -0.95 0.76 -0.01 5.02 0.11 -0.46 -4.40 120.40 120.47 1kno s VAL 146 Ca 0.05 -0.57 -0.11 0.00 -2.93 0.00 0.00 61.98 58.42 1kno s VAL 146 Cb -0.09 -1.12 -0.05 0.00 -1.53 0.00 0.00 36.38 33.59 1kno s VAL 146 CO 0.02 -0.06 0.33 0.42 -3.33 0.00 0.00 175.10 172.48 1kno s THR 147 N 1.76 5.19 0.19 5.04 -4.23 -1.23 -2.49 115.64 119.88 1kno s THR 147 Ca -0.00 0.53 0.07 0.00 -1.18 0.00 0.00 61.69 61.10 1kno s THR 147 Cb -0.16 -3.61 -0.05 0.00 1.34 0.00 0.00 72.50 70.02 1kno s THR 147 CO -0.07 0.50 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.63 1kno s LEU 148 N -1.32 2.53 0.35 4.79 1.02 -0.43 -4.35 118.68 121.27 1kno s LEU 148 Ca 0.24 -1.03 -0.01 0.00 0.02 0.00 0.00 54.13 53.35 1kno s LEU 148 Cb -0.15 -0.57 -0.00 0.00 0.02 0.00 0.00 46.19 45.49 1kno s LEU 148 CO 0.13 -0.23 0.45 -0.83 0.02 0.00 0.00 176.35 175.89 1kno s GLY 149 N -3.28 1.65 -0.10 -3.19 0.00 -0.85 -0.87 107.32 100.68 1kno s GLY 149 Ca 0.21 -1.62 -0.09 0.00 0.00 0.00 0.00 44.72 43.23 1kno s GLY 149 CO 0.05 -1.07 0.27 0.00 0.00 0.00 0.00 173.10 172.35 1kno s LEU 151 N 0.35 3.10 -0.40 0.00 2.96 0.66 -1.82 118.68 123.55 1kno s LEU 151 Ca -0.02 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 1kno s LEU 151 Cb -0.03 -1.80 0.11 0.00 0.50 0.00 0.00 46.19 44.97 1kno s LEU 151 CO -0.01 0.01 0.13 -0.69 -1.32 0.00 0.00 176.35 174.47 1kno s VAL 152 N 1.30 2.54 0.08 1.68 1.01 0.73 -0.06 120.40 127.70 1kno s VAL 152 Ca 0.04 -2.54 0.09 0.00 0.00 0.00 0.00 61.98 59.57 1kno s VAL 152 Cb -0.15 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1kno s VAL 152 CO -0.00 -0.67 -0.24 -1.59 0.00 0.00 0.00 175.10 172.60 1kno s LYS 153 N 0.64 1.42 0.00 2.72 -2.85 -0.93 -0.43 119.74 120.31 1kno s LYS 153 Ca 0.12 -1.15 0.00 0.00 -1.00 0.00 0.00 55.97 53.94 1kno s LYS 153 Cb -0.21 -1.70 0.00 0.00 -2.06 0.00 0.00 37.83 33.86 1kno s LYS 153 CO -0.06 0.42 0.00 0.41 0.10 0.00 0.00 175.35 176.22 1kno n GLY 154 N 1.37 0.73 3.99 0.59 0.00 0.10 -2.24 105.19 109.74 1kno n GLY 154 Ca -0.18 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 44.99 1kno n GLY 154 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1kno s TYR 155 N -2.00 2.67 0.00 1.61 -0.85 -0.92 -4.43 117.35 113.43 1kno s TYR 155 Ca 0.00 -0.45 0.00 0.00 -0.52 0.00 0.00 57.07 56.10 1kno s TYR 155 Cb 0.00 -2.33 0.00 0.00 0.38 0.00 0.00 41.96 40.01 1kno s TYR 155 CO 0.00 -0.44 0.00 0.34 -1.52 0.00 0.00 175.55 173.93 1kno n PHE 156 N -1.84 0.00 -2.21 -3.49 -0.00 -0.43 -0.15 117.46 109.34 1kno n PHE 156 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.53 1kno n PHE 156 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.08 1kno n PHE 156 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1kno n PRO 157 N -0.06 1.42 -2.30 -7.13 -0.04 -1.26 0.31 135.00 125.94 1kno n PRO 157 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 1kno n PRO 157 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 1kno n PRO 157 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1kno s GLU 158 N -0.58 3.72 0.40 0.54 0.41 -1.26 -4.78 118.70 117.15 1kno s GLU 158 Ca 0.00 0.68 0.06 0.00 -0.41 0.00 0.00 54.97 55.30 1kno s GLU 158 Cb 0.00 -2.19 0.06 0.00 -1.78 0.00 0.00 34.13 30.22 1kno s GLU 158 CO 0.00 -0.34 0.49 -0.35 -0.49 0.00 0.00 175.26 174.57 1kno n PRO 159 N -2.11 0.77 -4.07 0.39 -0.04 -1.26 -4.94 135.00 123.75 1kno n PRO 159 Ca 0.05 -2.22 -0.08 0.00 -0.04 0.00 0.00 63.50 61.20 1kno n PRO 159 Cb 0.54 -0.07 -0.10 0.00 -0.04 0.00 0.00 33.50 33.83 1kno n PRO 159 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1kno s VAL 160 N -1.59 0.28 -0.18 0.52 0.11 -1.26 -4.07 120.40 114.20 1kno s VAL 160 Ca 0.37 -1.52 0.01 0.00 -2.93 0.00 0.00 61.98 57.91 1kno s VAL 160 Cb -0.03 -1.12 0.02 0.00 -1.53 0.00 0.00 36.38 33.72 1kno s VAL 160 CO 0.24 -0.80 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.14 1kno s THR 161 N -3.00 1.99 -0.07 5.04 2.01 -0.64 -4.94 115.64 116.03 1kno s THR 161 Ca -0.00 -0.97 -0.01 0.00 0.31 0.00 0.00 61.69 61.02 1kno s THR 161 Cb 0.01 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 1kno s THR 161 CO -0.06 0.46 0.01 -0.22 -0.69 0.00 0.00 174.62 174.12 1kno s LEU 162 N 1.30 3.60 -0.03 4.42 0.20 -1.26 -1.13 118.68 125.78 1kno s LEU 162 Ca 0.03 0.12 -0.12 0.00 0.69 0.00 0.00 54.13 54.86 1kno s LEU 162 Cb -0.14 -1.88 0.02 0.00 -0.43 0.00 0.00 46.19 43.76 1kno s LEU 162 CO -0.12 0.36 0.26 0.42 -0.29 0.00 0.00 176.35 176.98 1kno s THR 164 N -0.94 0.05 -0.39 3.68 -4.23 -0.73 -4.97 115.64 108.11 1kno s THR 164 Ca 0.15 -0.45 -0.11 0.00 -1.18 0.00 0.00 61.69 60.10 1kno s THR 164 Cb -0.11 -0.53 0.04 0.00 1.34 0.00 0.00 72.50 73.24 1kno s THR 164 CO 0.04 -0.25 0.23 0.26 -0.54 0.00 0.00 174.62 174.36 1kno s TRP 165 N -1.09 3.27 -0.71 3.99 0.52 -1.25 -1.19 118.94 122.48 1kno s TRP 165 Ca -0.12 -1.14 -0.04 0.00 0.02 0.00 0.00 56.10 54.83 1kno s TRP 165 Cb -0.05 -2.61 -0.05 0.00 -1.15 0.00 0.00 33.47 29.62 1kno s TRP 165 CO 0.03 -0.72 0.63 0.09 0.02 0.00 0.00 176.95 177.00 1kno n ASN 170 N 4.98 -5.30 -1.36 2.95 3.02 -0.10 -0.98 115.26 118.47 1kno n ASN 170 Ca -0.11 -0.46 -0.05 0.00 -0.03 0.00 0.00 54.58 53.92 1kno n ASN 170 Cb 0.45 -3.80 -0.02 0.00 -0.61 0.00 0.00 39.78 35.80 1kno n ASN 170 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1kno n SER 171 N -2.62 -1.49 0.00 6.41 7.64 -1.26 0.29 113.62 122.59 1kno n SER 171 Ca -0.05 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1kno n SER 171 Cb 0.58 -1.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 1kno n SER 171 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kno n GLY 172 N -0.18 3.22 0.02 0.23 0.00 -1.20 -4.99 105.19 102.29 1kno n GLY 172 Ca -0.05 -0.93 -0.01 0.00 0.00 0.00 0.00 46.02 45.03 1kno n GLY 172 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kno n SER 173 N 0.02 -0.06 -4.60 1.61 7.64 0.14 -3.24 113.62 115.14 1kno n SER 173 Ca 0.00 0.16 -0.43 0.00 1.01 0.00 0.00 58.87 59.61 1kno n SER 173 Cb 0.00 -0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.13 1kno n SER 173 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1kno s LEU 174 N -6.14 3.67 -0.02 -3.43 2.96 -0.15 -4.77 118.68 110.79 1kno s LEU 174 Ca -0.01 0.41 0.04 0.00 -0.22 0.00 0.00 54.13 54.36 1kno s LEU 174 Cb 0.01 -3.50 0.06 0.00 0.50 0.00 0.00 46.19 43.26 1kno s LEU 174 CO 0.03 -1.24 1.03 -1.54 -1.32 0.00 0.00 176.35 173.31 1kno n SER 175 N 7.80 0.42 -3.87 3.68 3.41 -1.20 -3.86 113.62 119.99 1kno n SER 175 Ca 0.11 -2.18 -0.20 0.00 -0.26 0.00 0.00 58.87 56.34 1kno n SER 175 Cb 0.49 -0.24 -0.16 0.00 -0.26 0.00 0.00 64.21 64.03 1kno n SER 175 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1kno s SER 176 N -1.35 0.96 0.00 4.04 0.15 -1.26 -4.71 113.70 111.54 1kno s SER 176 Ca 0.07 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1kno s SER 176 Cb 0.06 -0.42 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 1kno s SER 176 CO -0.00 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1kno n GLY 177 N 4.18 0.66 3.82 9.45 0.00 -1.26 -4.69 105.19 117.36 1kno n GLY 177 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 1kno n GLY 177 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kno s VAL 179 N -2.08 5.24 -0.32 1.61 -7.23 -1.26 -0.62 120.40 115.73 1kno s VAL 179 Ca 0.00 0.59 0.01 0.00 -1.81 0.00 0.00 61.98 60.76 1kno s VAL 179 Cb 0.00 -3.60 0.10 0.00 0.56 0.00 0.00 36.38 33.44 1kno s VAL 179 CO 0.00 0.55 0.09 -1.00 -0.31 0.00 0.00 175.10 174.42 1kno s HIS 180 N -0.71 2.26 -0.23 2.82 3.76 0.11 -4.94 115.29 118.35 1kno s HIS 180 Ca 0.20 -2.08 -0.17 0.00 -0.15 0.00 0.00 55.06 52.86 1kno s HIS 180 Cb -0.14 -2.04 -0.03 0.00 1.11 0.00 0.00 32.58 31.47 1kno s HIS 180 CO 0.08 -0.90 0.44 0.99 -0.85 0.00 0.00 174.74 174.51 1kno s THR 181 N 1.42 5.14 0.45 1.30 2.01 -1.26 -0.20 115.64 124.50 1kno s THR 181 Ca 0.10 0.76 -0.10 0.00 0.31 0.00 0.00 61.69 62.75 1kno s THR 181 Cb -0.18 -3.76 -0.06 0.00 0.01 0.00 0.00 72.50 68.51 1kno s THR 181 CO -0.21 0.17 0.83 -0.36 -0.69 0.00 0.00 174.62 174.36 1kno s PHE 182 N 1.82 3.50 0.68 4.92 0.08 -0.17 -4.98 117.98 123.83 1kno s PHE 182 Ca 0.19 1.08 -0.14 0.00 0.12 0.00 0.00 56.93 58.18 1kno s PHE 182 Cb -0.15 -2.49 0.01 0.00 -0.57 0.00 0.00 43.02 39.82 1kno s PHE 182 CO 0.09 -0.23 1.12 -1.25 -0.10 0.00 0.00 175.22 174.85 1kno s PRO 183 N -4.18 2.66 0.62 0.24 0.04 -1.26 -4.41 135.00 128.71 1kno s PRO 183 Ca 0.52 1.40 -0.14 0.00 0.04 0.00 0.00 61.00 62.81 1kno s PRO 183 Cb -0.10 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 1kno s PRO 183 CO 0.36 -1.36 1.05 0.00 0.04 0.00 0.00 177.00 177.09 1kno s ALA 184 N -2.38 2.75 -0.02 8.56 0.00 -1.26 -4.77 121.76 124.64 1kno s ALA 184 Ca 0.67 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.95 1kno s ALA 184 Cb -0.21 -3.21 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 1kno s ALA 184 CO 0.44 -0.88 -0.10 0.08 0.00 0.00 0.00 175.76 175.30 1kno s VAL 185 N -2.63 0.82 -0.21 0.00 1.01 -0.14 -4.94 120.40 114.31 1kno s VAL 185 Ca 0.62 -0.41 -0.18 0.00 0.00 0.00 0.00 61.98 62.00 1kno s VAL 185 Cb -0.15 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1kno s VAL 185 CO 0.42 0.24 0.51 -0.22 0.00 0.00 0.00 175.10 176.05 1kno s LEU 186 N -0.03 4.13 -0.07 3.92 2.96 -1.26 -1.39 118.68 126.94 1kno s LEU 186 Ca 0.00 0.64 0.01 0.00 -0.22 0.00 0.00 54.13 54.56 1kno s LEU 186 Cb -0.06 -2.69 0.02 0.00 0.50 0.00 0.00 46.19 43.96 1kno s LEU 186 CO 0.00 -0.19 -0.09 -1.58 -1.32 0.00 0.00 176.35 173.17 1kno s GLN 187 N 1.74 1.44 6.34 1.98 2.00 0.23 -4.95 119.66 128.44 1kno s GLN 187 Ca 0.23 -0.29 0.00 0.00 -2.00 0.00 0.00 55.36 53.30 1kno s GLN 187 Cb -0.15 -1.32 0.00 0.00 0.80 0.00 0.00 33.01 32.34 1kno s GLN 187 CO 0.09 -0.08 0.00 0.43 -0.50 0.00 0.00 175.29 175.23 1kno n SER 188 N 4.20 0.00 -2.60 6.67 7.64 -1.26 -1.22 113.62 127.05 1kno n SER 188 Ca -0.20 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.56 1kno n SER 188 Cb 0.51 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.74 1kno n SER 188 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1kno n ASP 191 N 11.48 2.45 -4.01 6.43 9.92 -1.26 -5.06 116.55 136.50 1kno n ASP 191 Ca 0.00 -2.86 -0.10 0.00 -0.53 0.00 0.00 54.79 51.30 1kno n ASP 191 Cb 0.00 -0.49 -0.07 0.00 -0.64 0.00 0.00 41.12 39.92 1kno n ASP 191 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1kno s LEU 192 N -3.40 0.94 0.16 0.64 1.43 -0.35 -4.81 118.68 113.28 1kno s LEU 192 Ca 0.33 -0.96 0.11 0.00 -1.03 0.00 0.00 54.13 52.58 1kno s LEU 192 Cb 0.41 1.12 -0.04 0.00 0.03 0.00 0.00 46.19 47.71 1kno s LEU 192 CO -0.02 -0.91 -0.25 -0.31 0.23 0.00 0.00 176.35 175.09 1kno s TYR 193 N -4.00 2.33 0.01 0.29 2.02 0.79 -0.60 117.35 118.18 1kno s TYR 193 Ca 0.21 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.55 1kno s TYR 193 Cb 0.03 -1.21 -0.01 0.00 -0.40 0.00 0.00 41.96 40.38 1kno s TYR 193 CO 0.03 0.41 -0.02 0.99 -1.57 0.00 0.00 175.55 175.40 1kno s THR 194 N -1.34 0.11 -0.01 -0.71 2.01 -0.49 0.02 115.64 115.22 1kno s THR 194 Ca 0.17 -0.26 -0.17 0.00 0.31 0.00 0.00 61.69 61.74 1kno s THR 194 Cb -0.09 -0.14 0.03 0.00 0.01 0.00 0.00 72.50 72.31 1kno s THR 194 CO 0.08 -0.10 0.35 -0.22 -0.69 0.00 0.00 174.62 174.04 1kno s LEU 195 N -0.38 0.68 0.05 4.42 0.20 0.43 -0.96 118.68 123.12 1kno s LEU 195 Ca -0.03 0.14 -0.09 0.00 0.69 0.00 0.00 54.13 54.84 1kno s LEU 195 Cb -0.03 1.41 0.00 0.00 -0.43 0.00 0.00 46.19 47.15 1kno s LEU 195 CO -0.00 -0.47 0.19 -0.94 -0.29 0.00 0.00 176.35 174.84 1kno s SER 196 N -1.35 0.06 -0.02 3.68 1.04 -1.26 -0.19 113.70 115.66 1kno s SER 196 Ca -0.13 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 55.85 1kno s SER 196 Cb -0.04 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.39 1kno s SER 196 CO 0.05 -0.61 -0.02 -0.55 0.98 0.00 0.00 173.24 173.08 1kno s SER 197 N -2.33 0.54 0.33 7.02 0.15 -0.75 -1.00 113.70 117.65 1kno s SER 197 Ca -0.02 -0.07 0.07 0.00 0.70 0.00 0.00 55.95 56.64 1kno s SER 197 Cb 0.01 -0.20 -0.02 0.00 -1.71 0.00 0.00 66.02 64.09 1kno s SER 197 CO -0.06 -0.03 0.34 -0.94 1.20 0.00 0.00 173.24 173.74 1kno s SER 198 N 0.56 5.51 -0.22 5.45 1.04 0.72 -0.64 113.70 126.12 1kno s SER 198 Ca -0.06 -0.38 -0.24 0.00 0.48 0.00 0.00 55.95 55.75 1kno s SER 198 Cb -0.09 -1.09 0.06 0.00 0.10 0.00 0.00 66.02 65.00 1kno s SER 198 CO -0.01 -0.35 0.66 0.54 0.98 0.00 0.00 173.24 175.07 1kno s VAL 199 N -2.25 0.00 -0.05 5.02 0.11 -0.05 0.06 120.40 123.25 1kno s VAL 199 Ca 0.41 -0.01 0.06 0.00 -2.93 0.00 0.00 61.98 59.51 1kno s VAL 199 Cb -0.07 -0.93 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 1kno s VAL 199 CO 0.28 -0.01 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.92 1kno s THR 200 N 0.15 1.88 0.17 5.04 2.01 0.21 -1.32 115.64 123.77 1kno s THR 200 Ca -0.01 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.05 1kno s THR 200 Cb -0.04 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.83 1kno s THR 200 CO 0.02 0.53 -0.04 0.68 -0.69 0.00 0.00 174.62 175.11 1kno s VAL 201 N -0.14 0.96 0.45 3.82 -7.23 -1.04 -4.64 120.40 112.59 1kno s VAL 201 Ca -0.03 -2.02 -0.22 0.00 -1.81 0.00 0.00 61.98 57.90 1kno s VAL 201 Cb -0.13 -2.04 -0.08 0.00 0.56 0.00 0.00 36.38 34.69 1kno s VAL 201 CO 0.03 -0.57 1.08 0.42 -0.31 0.00 0.00 175.10 175.76 1kno s THR 202 N -3.46 3.52 0.09 5.32 -4.23 -1.26 -1.36 115.64 114.26 1kno s THR 202 Ca 0.21 1.09 -0.17 0.00 -1.18 0.00 0.00 61.69 61.64 1kno s THR 202 Cb 0.05 -3.52 -0.04 0.00 1.34 0.00 0.00 72.50 70.32 1kno s THR 202 CO 0.03 -0.07 1.03 -1.20 -0.54 0.00 0.00 174.62 173.87 1kno n SER 203 N -0.50 -0.60 -0.32 3.99 7.64 -1.02 -0.40 113.62 122.42 1kno n SER 203 Ca 0.07 1.16 0.11 0.00 1.01 0.00 0.00 58.87 61.22 1kno n SER 203 Cb 0.50 -0.21 0.23 0.00 -1.01 0.00 0.00 64.21 63.72 1kno n SER 203 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1kno h SER 204 N 0.00 -0.48 -0.75 6.43 4.64 -1.91 -1.71 113.55 119.77 1kno h SER 204 Ca 0.09 0.25 0.16 0.00 -0.47 0.00 0.00 61.79 61.82 1kno h SER 204 Cb 0.23 0.45 -0.11 0.00 -0.31 0.00 0.00 62.40 62.67 1kno h SER 204 CO -0.53 -0.29 0.22 0.74 -0.87 0.00 0.00 176.83 176.10 1kno h THR 206 N 0.04 0.56 -3.87 2.95 2.02 -1.09 -3.28 112.91 110.25 1kno h THR 206 Ca 0.53 -0.11 -0.69 0.00 0.77 0.00 0.00 66.41 66.91 1kno h THR 206 Cb 1.02 0.20 -0.30 0.00 -1.74 0.00 0.00 68.15 67.33 1kno h THR 206 CO -0.85 0.06 -0.86 0.86 0.37 0.00 0.00 175.52 175.10 1kno s TRP 207 N -6.03 2.52 -0.34 3.16 -0.00 -0.64 0.59 118.94 118.19 1kno s TRP 207 Ca -0.13 -0.69 0.04 0.00 -0.00 0.00 0.00 56.10 55.33 1kno s TRP 207 Cb 0.21 -1.64 0.50 0.00 -0.00 0.00 0.00 33.47 32.54 1kno s TRP 207 CO 0.76 -0.19 1.63 -0.35 -0.00 0.00 0.00 176.95 178.79 1kno n PRO 208 N 3.00 2.20 0.15 5.86 -0.04 -1.26 -4.82 135.00 140.10 1kno n PRO 208 Ca -0.18 -2.20 0.02 0.00 -0.04 0.00 0.00 63.50 61.10 1kno n PRO 208 Cb 0.52 -1.89 0.35 0.00 -0.04 0.00 0.00 33.50 32.44 1kno n PRO 208 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1kno h SER 210 N 1.06 0.10 -0.84 3.54 0.02 -1.51 -3.43 113.55 112.49 1kno h SER 210 Ca 0.39 -0.03 -0.57 0.00 -0.84 0.00 0.00 61.79 60.74 1kno h SER 210 Cb 2.24 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 64.70 1kno h SER 210 CO 0.74 0.42 -0.36 -1.10 -1.14 0.00 0.00 176.83 175.39 1kno s GLN 211 N -4.33 2.28 -0.22 3.45 1.11 0.20 -5.08 119.66 117.07 1kno s GLN 211 Ca -0.04 -1.95 0.02 0.00 0.01 0.00 0.00 55.36 53.40 1kno s GLN 211 Cb 0.14 -2.08 0.04 0.00 -1.01 0.00 0.00 33.01 30.11 1kno s GLN 211 CO 0.73 -0.47 -0.14 -1.54 0.01 0.00 0.00 175.29 173.89 1kno s SER 212 N -4.18 3.74 -0.14 5.90 1.04 -1.26 -4.73 113.70 114.08 1kno s SER 212 Ca 0.35 -1.02 -0.09 0.00 0.48 0.00 0.00 55.95 55.67 1kno s SER 212 Cb -0.01 -1.45 -0.05 0.00 0.10 0.00 0.00 66.02 64.61 1kno s SER 212 CO 0.21 -0.11 0.18 -0.63 0.98 0.00 0.00 173.24 173.86 1kno s ILE 213 N 1.23 5.42 -0.01 -1.02 1.01 -1.26 -4.95 121.20 121.61 1kno s ILE 213 Ca -0.02 0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.94 1kno s ILE 213 Cb -0.17 -3.47 -0.00 0.00 0.01 0.00 0.00 42.46 38.83 1kno s ILE 213 CO -0.09 0.53 -0.06 -0.89 0.00 0.00 0.00 174.94 174.44 1kno s THR 214 N -0.42 0.50 -0.34 2.92 2.01 -1.26 -2.52 115.64 116.53 1kno s THR 214 Ca 0.14 -0.25 -0.18 0.00 0.31 0.00 0.00 61.69 61.71 1kno s THR 214 Cb -0.12 -0.44 -0.01 0.00 0.01 0.00 0.00 72.50 71.94 1kno s THR 214 CO 0.03 0.15 0.53 0.00 -0.69 0.00 0.00 174.62 174.64 1kno s ASN 217 N 1.73 5.25 -0.05 0.00 -0.87 -0.33 0.59 114.94 121.27 1kno s ASN 217 Ca 0.20 -1.81 -0.01 0.00 -1.57 0.00 0.00 52.86 49.67 1kno s ASN 217 Cb -0.15 -1.83 -0.03 0.00 -0.02 0.00 0.00 41.25 39.21 1kno s ASN 217 CO 0.13 -0.49 0.01 -0.69 -2.57 0.00 0.00 177.10 173.49 1kno s VAL 218 N 1.21 4.31 -0.21 1.60 1.01 -0.23 -1.76 120.40 126.33 1kno s VAL 218 Ca 0.05 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 1kno s VAL 218 Cb -0.22 -2.87 0.08 0.00 0.00 0.00 0.00 36.38 33.37 1kno s VAL 218 CO -0.03 0.50 0.16 0.00 0.00 0.00 0.00 175.10 175.73 1kno s ALA 219 N -0.99 0.15 -0.64 5.51 0.00 -0.29 0.22 121.76 125.72 1kno s ALA 219 Ca 0.17 -0.24 -0.23 0.00 0.00 0.00 0.00 51.96 51.66 1kno s ALA 219 Cb -0.11 -1.25 0.07 0.00 0.00 0.00 0.00 23.12 21.82 1kno s ALA 219 CO 0.06 -1.30 0.95 -1.58 0.00 0.00 0.00 175.76 173.89 1kno s HIS 220 N 2.21 2.70 0.04 0.00 2.46 0.98 -1.62 115.29 122.06 1kno s HIS 220 Ca 0.05 -0.49 -0.15 0.00 0.47 0.00 0.00 55.06 54.94 1kno s HIS 220 Cb -0.16 -4.24 -0.07 0.00 -0.13 0.00 0.00 32.58 27.98 1kno s HIS 220 CO -0.16 -1.59 1.24 -1.35 -2.47 0.00 0.00 174.74 170.40 1kno h PRO 221 N 9.52 -0.38 0.00 2.88 0.11 -1.78 -1.38 132.00 140.97 1kno h PRO 221 Ca -0.28 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1kno h PRO 221 Cb 1.07 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1kno h PRO 221 CO 1.16 -0.25 0.00 0.00 -0.21 0.00 0.00 178.00 178.70 1kno n ALA 222 N -2.55 0.75 -1.06 -0.75 0.00 -1.26 -0.07 120.51 115.57 1kno n ALA 222 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1kno n ALA 222 Cb 0.19 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.14 1kno n ALA 222 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1kno n SER 223 N -0.74 0.19 -3.65 0.00 3.41 -1.09 -4.93 113.62 106.83 1kno n SER 223 Ca 0.00 -1.25 -0.21 0.00 -0.26 0.00 0.00 58.87 57.15 1kno n SER 223 Cb 0.00 -0.03 0.04 0.00 -0.26 0.00 0.00 64.21 63.96 1kno n SER 223 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1kno n SER 224 N -0.06 -1.71 -4.18 4.04 7.64 0.90 -4.92 113.62 115.32 1kno n SER 224 Ca 0.00 -0.80 -0.32 0.00 1.01 0.00 0.00 58.87 58.76 1kno n SER 224 Cb 0.51 -4.20 -0.17 0.00 -1.01 0.00 0.00 64.21 59.34 1kno n SER 224 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1kno s THR 225 N -3.61 1.99 -0.02 0.44 2.01 -0.55 -5.01 115.64 110.89 1kno s THR 225 Ca 0.05 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 61.07 1kno s THR 225 Cb -0.01 -1.74 0.02 0.00 0.01 0.00 0.00 72.50 70.78 1kno s THR 225 CO 0.80 0.54 0.05 -0.75 -0.69 0.00 0.00 174.62 174.57 1kno s LYS 226 N 0.55 0.02 0.23 4.92 2.36 -1.26 -0.01 119.74 126.55 1kno s LYS 226 Ca -0.14 0.16 -0.09 0.00 -2.55 0.00 0.00 55.97 53.34 1kno s LYS 226 Cb -0.17 -0.11 -0.01 0.00 -1.05 0.00 0.00 37.83 36.48 1kno s LYS 226 CO 0.04 -0.09 0.37 0.14 1.55 0.00 0.00 175.35 177.36 1kno s VAL 227 N 0.61 0.01 -0.12 4.02 -7.23 0.13 -4.98 120.40 112.84 1kno s VAL 227 Ca -0.05 -1.55 -0.11 0.00 -1.81 0.00 0.00 61.98 58.46 1kno s VAL 227 Cb -0.07 -2.24 0.03 0.00 0.56 0.00 0.00 36.38 34.66 1kno s VAL 227 CO -0.02 -0.03 0.33 -1.81 -0.31 0.00 0.00 175.10 173.26 1kno s ASP 228 N -3.05 -0.34 -0.16 4.85 1.11 -1.25 -1.06 116.67 116.77 1kno s ASP 228 Ca 0.26 0.66 0.00 0.00 0.18 0.00 0.00 52.55 53.65 1kno s ASP 228 Cb 0.02 0.66 0.03 0.00 1.07 0.00 0.00 42.92 44.69 1kno s ASP 228 CO 0.09 -0.12 -0.14 -0.54 1.18 0.00 0.00 175.17 175.65 1kno s LYS 229 N 0.26 2.26 -0.59 8.23 3.01 0.20 -4.92 119.74 128.18 1kno s LYS 229 Ca -0.01 -0.60 -0.28 0.00 -1.01 0.00 0.00 55.97 54.07 1kno s LYS 229 Cb -0.03 -2.16 0.01 0.00 -1.01 0.00 0.00 37.83 34.65 1kno s LYS 229 CO -0.00 -0.27 1.42 0.21 0.51 0.00 0.00 175.35 177.22 1kno s LYS 230 N 1.47 3.24 -1.12 1.68 2.36 -1.26 -1.61 119.74 124.50 1kno s LYS 230 Ca 0.04 0.35 -0.24 0.00 -2.55 0.00 0.00 55.97 53.57 1kno s LYS 230 Cb -0.13 -4.15 -0.14 0.00 -1.05 0.00 0.00 37.83 32.36 1kno s LYS 230 CO -0.10 -2.03 1.97 -0.89 1.55 0.00 0.00 175.35 175.85 1kno n ILE 231 N 6.80 1.41 -3.09 5.43 2.08 -1.05 -4.91 119.36 126.04 1kno n ILE 231 Ca 0.11 -1.45 -0.38 0.00 0.56 0.00 0.00 62.75 61.59 1kno n ILE 231 Cb 0.49 -2.13 -0.06 0.00 -0.75 0.00 0.00 39.64 37.19 1kno n ILE 231 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1kno s GLU 232 N 6.91 4.40 0.79 0.38 2.02 -1.26 -4.83 118.70 127.11 1kno s GLU 232 Ca 0.71 0.98 -0.11 0.00 0.02 0.00 0.00 54.97 56.58 1kno s GLU 232 Cb -0.01 -3.17 0.06 0.00 0.10 0.00 0.00 34.13 31.12 1kno s GLU 232 CO 0.15 0.55 1.09 -2.14 0.02 0.00 0.00 175.26 174.94 1kno s PRO 233 N -1.32 2.15 0.00 0.39 0.02 -1.26 -4.69 135.00 130.29 1kno s PRO 233 Ca 0.35 1.14 0.00 0.00 0.02 0.00 0.00 61.00 62.52 1kno s PRO 233 Cb -0.21 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.43 1kno s PRO 233 CO 0.23 -1.71 0.00 -2.13 -0.33 0.00 0.00 177.00 173.06 1kno n ARG 234 N -3.57 0.00 0.00 5.54 0.00 -1.26 -5.12 116.66 112.25 1kno n ARG 234 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 1kno n ARG 234 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.99 1kno n ARG 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04