#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 1.41 -3.30 2.53 3.14 -1.25 -4.47 118.33 116.38 1kno n VAL 2 Ca 0.00 -0.50 0.03 0.00 -2.96 0.00 0.00 64.34 60.91 1kno n VAL 2 Cb 0.00 -0.34 -0.03 0.00 -1.06 0.00 0.00 33.84 32.42 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 -1.36 0.33 -0.04 1.45 2.20 0.10 -4.94 119.74 117.48 1kno s LYS 3 Ca 0.62 0.73 -0.03 0.00 -0.36 0.00 0.00 55.97 56.93 1kno s LYS 3 Cb -0.63 0.42 -0.04 0.00 -1.51 0.00 0.00 37.83 36.08 1kno s LYS 3 CO 0.60 -0.23 0.14 -0.51 -0.36 0.00 0.00 175.35 174.99 1kno s LEU 4 N 2.71 4.24 -0.33 5.43 1.02 -1.25 -0.79 118.68 129.70 1kno s LEU 4 Ca 0.02 0.32 -0.02 0.00 0.02 0.00 0.00 54.13 54.47 1kno s LEU 4 Cb -0.09 -2.39 0.12 0.00 0.02 0.00 0.00 46.19 43.85 1kno s LEU 4 CO -0.16 0.30 0.17 -0.69 0.02 0.00 0.00 176.35 175.99 1kno s VAL 5 N -1.21 0.16 0.80 -1.59 1.01 0.22 -4.35 120.40 115.44 1kno s VAL 5 Ca 0.23 -1.31 -0.12 0.00 0.00 0.00 0.00 61.98 60.79 1kno s VAL 5 Cb -0.12 -1.14 0.07 0.00 0.00 0.00 0.00 36.38 35.19 1kno s VAL 5 CO 0.14 -0.85 1.13 -1.61 0.00 0.00 0.00 175.10 173.91 1kno s GLU 6 N 1.53 1.93 0.00 2.72 8.01 -1.26 -2.47 118.70 129.16 1kno s GLU 6 Ca 0.13 1.40 0.00 0.00 0.01 0.00 0.00 54.97 56.51 1kno s GLU 6 Cb -0.20 -1.84 0.00 0.00 -4.31 0.00 0.00 34.13 27.78 1kno s GLU 6 CO -0.18 -1.93 0.00 -1.13 0.01 0.00 0.00 175.26 172.04 1kno n SER 7 N -3.49 0.00 0.00 -0.19 3.41 0.08 -4.81 113.62 108.62 1kno n SER 7 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1kno n SER 7 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1kno n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kno n GLY 8 N 0.00 0.00 3.73 5.00 0.00 -1.26 -2.55 105.19 110.11 1kno n GLY 8 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 1.97 0.00 -0.02 0.00 -1.26 -4.66 107.32 103.35 1kno s GLY 9 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.30 1kno s GLY 9 CO 0.00 0.97 0.00 0.61 0.00 0.00 0.00 173.10 174.68 1kno n GLY 10 N -0.25 -0.92 3.71 0.20 0.00 -0.42 -4.92 105.19 102.60 1kno n GLY 10 Ca 0.11 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 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 4.28 -0.05 0.99 0.20 -1.25 -0.54 118.68 122.31 1kno s LEU 11 Ca 0.00 0.99 0.00 0.00 0.69 0.00 0.00 54.13 55.82 1kno s LEU 11 Cb 0.00 -2.90 0.02 0.00 -0.43 0.00 0.00 46.19 42.88 1kno s LEU 11 CO 0.00 -0.09 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.24 1kno s VAL 12 N 0.90 0.48 0.38 1.68 1.01 0.19 -4.94 120.40 120.09 1kno s VAL 12 Ca 0.32 -0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.97 1kno s VAL 12 Cb -0.16 -0.54 -0.09 0.00 0.00 0.00 0.00 36.38 35.59 1kno s VAL 12 CO 0.14 0.23 1.32 -1.10 0.00 0.00 0.00 175.10 175.68 1kno s GLN 13 N 1.14 4.11 0.74 2.72 -0.21 -1.22 -1.79 119.66 125.15 1kno s GLN 13 Ca -0.08 2.21 -0.16 0.00 0.02 0.00 0.00 55.36 57.35 1kno s GLN 13 Cb -0.14 -2.88 -0.04 0.00 1.00 0.00 0.00 33.01 30.96 1kno s GLN 13 CO -0.01 -0.39 0.48 -0.35 -2.12 0.00 0.00 175.29 172.90 1kno n PRO 14 N 0.38 0.24 0.00 2.91 -0.04 -1.24 -0.61 135.00 136.63 1kno n PRO 14 Ca 0.02 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1kno n PRO 14 Cb 0.43 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 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 1.68 2.52 3.00 0.55 0.00 -0.43 -4.90 105.19 107.62 1kno n GLY 15 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.27 -2.77 3.03 -0.02 0.00 0.22 -3.76 105.19 101.62 1kno n GLY 16 Ca 0.00 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 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 -4.00 0.69 0.01 1.61 0.01 -1.26 -1.96 113.70 108.81 1kno s SER 17 Ca 0.61 -0.48 -0.00 0.00 1.31 0.00 0.00 55.95 57.38 1kno s SER 17 Cb -0.06 0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.19 1kno s SER 17 CO 0.47 -0.19 -0.01 -0.13 0.41 0.00 0.00 173.24 173.79 1kno s ARG 18 N -1.37 0.21 -0.31 12.44 1.81 -1.16 -4.99 118.95 125.59 1kno s ARG 18 Ca -0.10 -0.38 0.02 0.00 -1.72 0.00 0.00 55.73 53.55 1kno s ARG 18 Cb -0.09 0.08 0.09 0.00 -0.45 0.00 0.00 34.95 34.58 1kno s ARG 18 CO 0.00 -0.04 0.03 0.21 -0.68 0.00 0.00 175.30 174.83 1kno s LYS 19 N -0.94 1.35 0.54 3.54 2.20 -1.26 -0.43 119.74 124.74 1kno s LYS 19 Ca -0.10 -1.45 -0.13 0.00 -0.36 0.00 0.00 55.97 53.93 1kno s LYS 19 Cb -0.06 -2.74 -0.06 0.00 -1.51 0.00 0.00 37.83 33.46 1kno s LYS 19 CO -0.01 -0.86 0.97 -0.51 -0.36 0.00 0.00 175.35 174.59 1kno s LEU 20 N 1.21 3.49 0.11 5.43 1.43 -0.56 -4.79 118.68 124.99 1kno s LEU 20 Ca 0.06 1.43 0.10 0.00 -1.03 0.00 0.00 54.13 54.69 1kno s LEU 20 Cb -0.19 -4.41 -0.04 0.00 0.03 0.00 0.00 46.19 41.59 1kno s LEU 20 CO -0.12 -0.68 -0.24 -0.44 0.23 0.00 0.00 176.35 175.10 1kno s SER 21 N -3.56 2.96 -0.26 2.29 0.01 -1.06 -2.62 113.70 111.46 1kno s SER 21 Ca 0.56 -0.70 -0.04 0.00 1.31 0.00 0.00 55.95 57.08 1kno s SER 21 Cb -0.10 -0.19 0.09 0.00 0.21 0.00 0.00 66.02 66.03 1kno s SER 21 CO 0.41 0.14 0.14 0.00 0.41 0.00 0.00 173.24 174.33 1kno s ALA 23 N 2.14 3.46 0.06 0.00 0.00 -1.03 -1.37 121.76 125.02 1kno s ALA 23 Ca 0.08 0.24 0.09 0.00 0.00 0.00 0.00 51.96 52.37 1kno s ALA 23 Cb -0.16 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 1kno s ALA 23 CO -0.30 0.25 -0.24 0.00 0.00 0.00 0.00 175.76 175.47 1kno s ALA 24 N -0.79 2.04 -0.02 0.00 0.00 -0.61 0.73 121.76 123.11 1kno s ALA 24 Ca 0.35 -1.22 -0.20 0.00 0.00 0.00 0.00 51.96 50.89 1kno s ALA 24 Cb -0.21 -0.39 0.04 0.00 0.00 0.00 0.00 23.12 22.55 1kno s ALA 24 CO 0.23 0.47 0.42 -1.54 0.00 0.00 0.00 175.76 175.34 1kno s SER 25 N -1.39 -0.33 0.00 0.00 1.04 0.03 -4.86 113.70 108.17 1kno s SER 25 Ca 0.10 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1kno s SER 25 Cb -0.10 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1kno s SER 25 CO 0.03 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1kno n GLY 26 N 1.16 0.81 3.49 7.32 0.00 -1.26 0.01 105.19 116.73 1kno n GLY 26 Ca -0.21 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.49 -1.01 1.61 -0.71 -1.26 -3.98 117.98 110.15 1kno s PHE 27 Ca 0.00 0.55 -0.23 0.00 -1.04 0.00 0.00 56.93 56.21 1kno s PHE 27 Cb 0.00 0.50 -0.00 0.00 -1.21 0.00 0.00 43.02 42.31 1kno s PHE 27 CO 0.00 -0.62 1.72 0.95 -1.34 0.00 0.00 175.22 175.93 1kno s THR 28 N -2.48 3.71 0.21 -4.49 -4.23 -1.26 -4.80 115.64 102.29 1kno s THR 28 Ca -0.01 -0.70 -0.20 0.00 -1.18 0.00 0.00 61.69 59.59 1kno s THR 28 Cb -0.01 -4.59 0.16 0.00 1.34 0.00 0.00 72.50 69.41 1kno s THR 28 CO -0.04 -1.45 1.56 0.15 -0.54 0.00 0.00 174.62 174.30 1kno h PHE 29 N 10.25 -1.13 0.00 3.99 3.57 -1.94 -0.63 116.94 131.04 1kno h PHE 29 Ca 0.18 0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1kno h PHE 29 Cb 0.99 0.61 0.00 0.00 2.79 0.00 0.00 35.95 40.34 1kno h PHE 29 CO 1.26 -0.40 0.00 0.43 -2.23 0.00 0.00 178.31 177.37 1kno n SER 30 N -5.44 0.00 -0.00 0.41 7.64 -1.26 -0.59 113.62 114.38 1kno n SER 30 Ca 0.07 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.00 1kno n SER 30 Cb 0.37 -0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.49 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 -0.80 2.52 -4.60 6.43 7.64 -0.24 -4.81 113.62 119.76 1kno n SER 31 Ca 0.00 -0.04 -0.26 0.00 1.01 0.00 0.00 58.87 59.57 1kno n SER 31 Cb 0.00 1.44 -0.09 0.00 -1.01 0.00 0.00 64.21 64.56 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 -2.67 2.69 -0.10 1.43 0.40 0.25 -4.81 117.98 115.17 1kno s PHE 32 Ca -0.03 -0.20 -0.20 0.00 -0.60 0.00 0.00 56.93 55.90 1kno s PHE 32 Cb 0.07 -1.30 -0.04 0.00 0.51 0.00 0.00 43.02 42.25 1kno s PHE 32 CO 0.43 0.52 0.54 0.20 0.70 0.00 0.00 175.22 177.61 1kno s GLY 33 N -2.94 2.47 0.74 4.36 0.00 -1.26 -4.04 107.32 106.65 1kno s GLY 33 Ca 0.26 -0.09 -0.04 0.00 0.00 0.00 0.00 44.72 44.85 1kno s GLY 33 CO 0.16 0.88 1.02 1.06 0.00 0.00 0.00 173.10 176.23 1kno s MET 34 N 0.62 1.69 0.17 2.90 -1.94 -0.70 -0.31 119.30 121.73 1kno s MET 34 Ca 0.29 -0.83 -0.11 0.00 -1.71 0.00 0.00 55.69 53.34 1kno s MET 34 Cb -0.16 -2.25 -0.00 0.00 2.01 0.00 0.00 34.83 34.43 1kno s MET 34 CO 0.13 -1.49 0.33 -1.01 -0.01 0.00 0.00 175.02 172.97 1kno s HIS 35 N -3.23 0.28 -0.06 -0.03 3.76 0.18 -2.99 115.29 113.20 1kno s HIS 35 Ca 0.66 -0.64 0.01 0.00 -0.15 0.00 0.00 55.06 54.94 1kno s HIS 35 Cb -0.06 0.04 0.02 0.00 1.11 0.00 0.00 32.58 33.69 1kno s HIS 35 CO 0.45 -0.76 -0.07 -1.58 -0.85 0.00 0.00 174.74 171.93 1kno s TRP 36 N -3.94 1.01 -0.02 1.40 0.52 -1.09 -1.55 118.94 115.27 1kno s TRP 36 Ca 0.15 -0.34 0.03 0.00 0.02 0.00 0.00 56.10 55.96 1kno s TRP 36 Cb 0.02 -0.83 -0.00 0.00 -1.15 0.00 0.00 33.47 31.52 1kno s TRP 36 CO -0.01 -0.24 -0.11 0.08 0.02 0.00 0.00 176.95 176.70 1kno s VAL 37 N 0.90 0.89 0.27 4.03 1.01 -0.38 -1.57 120.40 125.55 1kno s VAL 37 Ca -0.11 -0.43 0.12 0.00 0.00 0.00 0.00 61.98 61.56 1kno s VAL 37 Cb -0.15 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 1kno s VAL 37 CO 0.01 0.27 -0.20 0.00 0.00 0.00 0.00 175.10 175.17 1kno s ARG 38 N 0.07 1.65 -0.16 2.72 1.70 -0.04 -0.82 118.95 124.08 1kno s ARG 38 Ca -0.02 -1.74 -0.04 0.00 -0.47 0.00 0.00 55.73 53.46 1kno s ARG 38 Cb -0.08 -1.75 0.08 0.00 -0.57 0.00 0.00 34.95 32.63 1kno s ARG 38 CO 0.00 0.33 0.25 -1.14 -1.08 0.00 0.00 175.30 173.66 1kno s GLN 39 N -3.45 0.17 0.15 3.89 0.74 -0.66 0.24 119.66 120.74 1kno s GLN 39 Ca 0.29 0.51 -0.30 0.00 0.05 0.00 0.00 55.36 55.91 1kno s GLN 39 Cb -0.05 -0.53 -0.08 0.00 1.10 0.00 0.00 33.01 33.45 1kno s GLN 39 CO 0.14 -0.45 1.23 0.00 -0.55 0.00 0.00 175.29 175.66 1kno s ALA 40 N 2.38 3.45 0.00 1.58 0.00 -1.25 -0.76 121.76 127.17 1kno s ALA 40 Ca 0.04 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.97 1kno s ALA 40 Cb -0.14 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1kno s ALA 40 CO -0.10 -0.43 0.00 -2.30 0.00 0.00 0.00 175.76 172.93 1kno n PRO 41 N 3.02 0.00 -2.78 0.00 -0.02 -1.26 0.14 135.00 134.09 1kno n PRO 41 Ca 0.06 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.44 1kno n PRO 41 Cb 0.45 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.95 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 0.00 1.10 -2.06 -0.52 1.02 -1.26 -5.08 120.64 113.84 1kno n GLU 42 Ca 0.00 -3.15 -0.01 0.00 -0.02 0.00 0.00 57.16 53.98 1kno n GLU 42 Cb 0.00 -1.26 -0.00 0.00 -0.02 0.00 0.00 31.44 30.16 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 -0.01 0.47 -0.69 3.49 5.02 0.36 -5.17 118.16 121.63 1kno n LYS 43 Ca 0.12 -0.09 -0.09 0.00 -2.02 0.00 0.00 58.31 56.23 1kno n LYS 43 Cb 0.78 0.06 0.06 0.00 -0.02 0.00 0.00 35.03 35.92 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 1.12 -1.00 3.88 0.72 0.00 -1.26 -4.54 105.19 104.12 1kno n GLY 44 Ca 0.00 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.00 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 3.85 -0.15 0.99 1.43 -1.26 -3.77 118.68 119.77 1kno s LEU 45 Ca 0.24 1.03 -0.06 0.00 -1.03 0.00 0.00 54.13 54.31 1kno s LEU 45 Cb -0.01 -3.91 0.07 0.00 0.03 0.00 0.00 46.19 42.37 1kno s LEU 45 CO 0.16 -0.38 0.32 -0.70 0.23 0.00 0.00 176.35 175.98 1kno s GLU 46 N -3.89 0.24 0.45 1.70 2.12 0.14 -4.95 118.70 114.50 1kno s GLU 46 Ca 0.49 0.80 -0.23 0.00 0.36 0.00 0.00 54.97 56.39 1kno s GLU 46 Cb -0.10 0.05 -0.08 0.00 0.26 0.00 0.00 34.13 34.26 1kno s GLU 46 CO 0.33 -0.24 1.17 -0.46 -0.54 0.00 0.00 175.26 175.52 1kno s TRP 47 N 2.13 2.91 0.00 5.30 -0.00 -1.26 -0.86 118.94 127.16 1kno s TRP 47 Ca -0.03 1.53 0.00 0.00 -0.00 0.00 0.00 56.10 57.61 1kno s TRP 47 Cb -0.11 -3.39 0.00 0.00 -0.00 0.00 0.00 33.47 29.97 1kno s TRP 47 CO -0.10 -1.49 0.00 0.28 -0.00 0.00 0.00 176.95 175.63 1kno n VAL 48 N -0.38 0.00 -3.71 5.86 0.31 -0.61 -4.66 118.33 115.14 1kno n VAL 48 Ca 0.07 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.30 1kno n VAL 48 Cb 0.48 -0.73 -0.03 0.00 -0.91 0.00 0.00 33.84 32.65 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 -1.83 -1.21 -0.22 3.52 0.00 -1.23 -1.45 121.76 119.34 1kno s ALA 49 Ca 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 51.96 51.78 1kno s ALA 49 Cb 0.00 0.87 0.09 0.00 0.00 0.00 0.00 23.12 24.08 1kno s ALA 49 CO 0.00 -0.89 0.52 -0.47 0.00 0.00 0.00 175.76 174.92 1kno s TYR 50 N -3.86 -0.89 -0.15 0.00 5.04 -1.02 -2.65 117.35 113.81 1kno s TYR 50 Ca 0.08 1.73 0.01 0.00 -2.44 0.00 0.00 57.07 56.45 1kno s TYR 50 Cb -0.03 0.45 0.02 0.00 0.35 0.00 0.00 41.96 42.75 1kno s TYR 50 CO -0.01 -0.48 -0.18 -1.50 -1.34 0.00 0.00 175.55 172.04 1kno s ILE 51 N 2.07 1.80 0.84 3.14 2.07 -1.16 -0.86 121.20 129.09 1kno s ILE 51 Ca -0.07 -0.79 -0.12 0.00 -1.41 0.00 0.00 60.65 58.25 1kno s ILE 51 Cb -0.09 -1.64 0.10 0.00 0.13 0.00 0.00 42.46 40.96 1kno s ILE 51 CO -0.15 0.50 1.19 -0.94 -1.91 0.00 0.00 174.94 173.63 1kno s SER 52 N 1.22 3.40 0.41 4.50 1.04 -0.54 -1.71 113.70 122.01 1kno s SER 52 Ca 0.01 2.33 0.19 0.00 0.48 0.00 0.00 55.95 58.95 1kno s SER 52 Cb -0.14 -2.58 1.11 0.00 0.10 0.00 0.00 66.02 64.51 1kno s SER 52 CO -0.08 -2.80 1.80 0.77 0.98 0.00 0.00 173.24 173.92 1kno h SER 53 N -1.16 0.42 1.02 7.02 4.64 -1.88 0.13 113.55 123.74 1kno h SER 53 Ca -0.45 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1kno h SER 53 Cb 1.29 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1kno h SER 53 CO 0.45 0.12 -0.44 0.61 -0.87 0.00 0.00 176.83 176.69 1kno n GLY 54 N -1.50 -1.49 1.71 -0.77 0.00 -1.26 -4.86 105.19 97.02 1kno n GLY 54 Ca 0.23 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.12 -2.51 -2.97 1.61 7.64 0.47 -4.97 113.62 110.77 1kno n SER 55 Ca 0.04 -0.08 -0.14 0.00 1.01 0.00 0.00 58.87 59.70 1kno n SER 55 Cb 0.43 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 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 0.49 0.73 0.00 6.43 3.41 -1.26 -4.94 113.62 118.48 1kno n SER 56 Ca -0.01 -2.94 0.00 0.00 -0.26 0.00 0.00 58.87 55.67 1kno n SER 56 Cb 0.51 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 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 0.14 0.00 -4.55 6.66 -1.04 -1.26 -4.92 114.28 109.31 1kno n THR 57 Ca 0.18 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.92 1kno n THR 57 Cb 0.72 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 69.10 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 1.87 0.17 12.58 1.01 -1.26 -1.46 121.20 134.12 1kno s ILE 58 Ca 0.00 -1.43 0.06 0.00 0.00 0.00 0.00 60.65 59.28 1kno s ILE 58 Cb 0.00 -1.65 -0.05 0.00 0.01 0.00 0.00 42.46 40.78 1kno s ILE 58 CO 0.00 0.14 -0.11 -0.31 0.00 0.00 0.00 174.94 174.66 1kno s TYR 59 N -0.95 1.44 -0.05 3.97 2.02 -0.04 -4.98 117.35 118.76 1kno s TYR 59 Ca 0.09 -0.69 -0.10 0.00 -0.37 0.00 0.00 57.07 56.00 1kno s TYR 59 Cb -0.10 -0.71 0.02 0.00 -0.40 0.00 0.00 41.96 40.77 1kno s TYR 59 CO 0.03 0.18 0.24 0.71 -1.57 0.00 0.00 175.55 175.15 1kno s TYR 60 N -3.19 -0.18 0.33 2.71 2.02 -1.26 -2.45 117.35 115.32 1kno s TYR 60 Ca 0.19 0.40 -0.28 0.00 -0.37 0.00 0.00 57.07 57.01 1kno s TYR 60 Cb 0.01 0.06 -0.10 0.00 -0.40 0.00 0.00 41.96 41.54 1kno s TYR 60 CO 0.03 -0.23 1.23 0.00 -1.57 0.00 0.00 175.55 175.01 1kno s ALA 61 N -0.54 3.42 0.44 3.71 0.00 -0.53 -4.82 121.76 123.44 1kno s ALA 61 Ca -0.06 1.12 0.18 0.00 0.00 0.00 0.00 51.96 53.20 1kno s ALA 61 Cb -0.04 -3.42 1.12 0.00 0.00 0.00 0.00 23.12 20.78 1kno s ALA 61 CO 0.01 -0.49 1.88 -0.44 0.00 0.00 0.00 175.76 176.73 1kno h ASP 62 N 3.39 0.35 0.83 0.00 3.32 -1.92 0.36 116.42 122.75 1kno h ASP 62 Ca -0.48 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 1kno h ASP 62 Cb 1.22 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 1kno h ASP 62 CO 0.65 0.15 -0.03 0.71 -1.72 0.00 0.00 179.24 179.01 1kno h THR 63 N 0.36 0.08 -0.00 0.35 1.35 -1.95 -3.21 112.91 109.89 1kno h THR 63 Ca 0.43 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1kno h THR 63 Cb 1.11 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1kno h THR 63 CO -0.14 0.03 -0.02 1.33 -0.25 0.00 0.00 175.52 176.47 1kno n VAL 64 N -3.15 0.00 -1.57 6.82 0.24 0.11 -5.00 118.33 115.79 1kno n VAL 64 Ca -0.00 -0.49 -0.61 0.00 -2.04 0.00 0.00 64.34 61.20 1kno n VAL 64 Cb 0.28 1.01 -0.08 0.00 -1.47 0.00 0.00 33.84 33.57 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 -0.55 0.03 0.00 7.34 5.02 -0.19 -2.06 118.16 127.74 1kno n LYS 65 Ca 0.00 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1kno n LYS 65 Cb 0.02 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 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 2.17 1.75 0.16 0.72 0.00 -1.26 -4.67 105.19 104.06 1kno n GLY 66 Ca 0.23 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 0.57 -6.41 1.61 3.08 -1.68 -3.46 114.38 108.09 1kno h ARG 67 Ca 0.00 -0.87 -0.54 0.00 0.07 0.00 0.00 59.98 58.64 1kno h ARG 67 Cb 0.00 0.31 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 1kno h ARG 67 CO 0.00 1.41 -0.15 -0.06 -1.07 0.00 0.00 179.97 180.09 1kno s PHE 68 N -2.75 3.45 -0.09 3.04 0.40 -1.00 -2.42 117.98 118.61 1kno s PHE 68 Ca -0.09 0.76 -0.00 0.00 -0.60 0.00 0.00 56.93 56.99 1kno s PHE 68 Cb 0.04 -2.18 0.02 0.00 0.51 0.00 0.00 43.02 41.42 1kno s PHE 68 CO 0.94 0.27 -0.06 0.99 0.70 0.00 0.00 175.22 178.06 1kno s THR 69 N -1.86 0.84 0.14 0.64 2.01 0.41 -4.93 115.64 112.89 1kno s THR 69 Ca 0.45 -0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.24 1kno s THR 69 Cb -0.11 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1kno s THR 69 CO 0.24 0.33 0.32 -0.51 -0.69 0.00 0.00 174.62 174.31 1kno s ILE 70 N 1.58 5.26 -0.05 1.82 2.07 -1.26 -0.07 121.20 130.55 1kno s ILE 70 Ca 0.01 -0.31 -0.31 0.00 -1.41 0.00 0.00 60.65 58.64 1kno s ILE 70 Cb -0.13 -3.68 0.11 0.00 0.13 0.00 0.00 42.46 38.90 1kno s ILE 70 CO -0.05 -0.02 1.10 -0.94 -1.91 0.00 0.00 174.94 173.12 1kno s SER 71 N -2.80 -0.19 0.04 4.50 1.04 -1.05 -4.98 113.70 110.27 1kno s SER 71 Ca 0.38 -0.09 -0.09 0.00 0.48 0.00 0.00 55.95 56.62 1kno s SER 71 Cb -0.12 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1kno s SER 71 CO 0.27 -0.45 0.19 0.00 0.98 0.00 0.00 173.24 174.24 1kno s ARG 72 N -2.74 0.69 -0.68 4.02 1.70 -1.26 0.74 118.95 121.42 1kno s ARG 72 Ca 0.10 -0.64 0.05 0.00 -0.47 0.00 0.00 55.73 54.77 1kno s ARG 72 Cb 0.00 0.29 0.17 0.00 -0.57 0.00 0.00 34.95 34.84 1kno s ARG 72 CO -0.05 -0.20 0.50 -3.47 -1.08 0.00 0.00 175.30 171.00 1kno n ASP 73 N 0.68 2.73 -0.28 -2.89 2.03 -0.28 -5.00 116.55 113.53 1kno n ASP 73 Ca -0.19 -3.15 0.17 0.00 0.52 0.00 0.00 54.79 52.15 1kno n ASP 73 Cb 0.59 -0.74 0.33 0.00 -0.72 0.00 0.00 41.12 40.58 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 1.98 0.03 0.22 1.67 3.02 -1.26 0.04 115.26 120.96 1kno n ASN 74 Ca 0.21 1.40 0.09 0.00 -0.03 0.00 0.00 54.58 56.26 1kno n ASN 74 Cb 0.37 -0.57 0.49 0.00 -0.61 0.00 0.00 39.78 39.46 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 0.00 -0.66 3.52 0.13 -1.96 -2.73 132.00 130.29 1kno h PRO 75 Ca 0.57 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.70 1kno h PRO 75 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1kno h PRO 75 CO -0.74 0.25 0.00 1.63 -0.23 0.00 0.00 178.00 178.92 1kno n LYS 76 N -3.57 3.42 -4.16 0.86 5.02 0.11 -4.97 118.16 114.86 1kno n LYS 76 Ca -0.01 -2.68 -0.29 0.00 -2.02 0.00 0.00 58.31 53.31 1kno n LYS 76 Cb 0.39 -1.81 -0.06 0.00 -0.02 0.00 0.00 35.03 33.53 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 1.16 0.23 -3.86 4.39 4.13 -1.03 -4.89 115.26 115.39 1kno n ASN 77 Ca 0.24 -1.17 -0.16 0.00 1.68 0.00 0.00 54.58 55.17 1kno n ASN 77 Cb 0.81 -2.19 -0.15 0.00 -1.54 0.00 0.00 39.78 36.70 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 -4.18 0.21 0.25 3.41 2.01 -1.25 -1.57 115.64 114.51 1kno s THR 78 Ca 0.02 -0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.08 1kno s THR 78 Cb -0.01 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 72.22 1kno s THR 78 CO 0.95 0.12 0.28 -0.22 -0.69 0.00 0.00 174.62 175.05 1kno s LEU 79 N 0.58 4.06 0.07 4.42 2.96 -0.47 -1.13 118.68 129.18 1kno s LEU 79 Ca -0.06 -0.09 -0.05 0.00 -0.22 0.00 0.00 54.13 53.71 1kno s LEU 79 Cb -0.09 -2.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.98 1kno s LEU 79 CO -0.01 -0.05 0.08 -0.36 -1.32 0.00 0.00 176.35 174.69 1kno s PHE 80 N -2.06 0.36 -0.17 5.38 0.40 0.23 -1.69 117.98 120.43 1kno s PHE 80 Ca 0.33 -0.84 -0.04 0.00 -0.60 0.00 0.00 56.93 55.78 1kno s PHE 80 Cb -0.08 -0.23 0.08 0.00 0.51 0.00 0.00 43.02 43.30 1kno s PHE 80 CO 0.27 -0.47 0.22 -1.17 0.70 0.00 0.00 175.22 174.76 1kno s LEU 81 N -2.90 -0.13 -0.22 -0.37 0.20 -1.08 -2.51 118.68 111.67 1kno s LEU 81 Ca 0.07 -0.02 -0.10 0.00 0.69 0.00 0.00 54.13 54.77 1kno s LEU 81 Cb 0.06 0.41 -0.05 0.00 -0.43 0.00 0.00 46.19 46.18 1kno s LEU 81 CO -0.10 -0.30 0.14 -1.58 -0.29 0.00 0.00 176.35 174.22 1kno s GLN 82 N 2.33 4.09 0.05 1.98 2.00 0.90 -1.50 119.66 129.52 1kno s GLN 82 Ca 0.05 -0.26 0.03 0.00 -2.00 0.00 0.00 55.36 53.18 1kno s GLN 82 Cb -0.15 -3.46 -0.04 0.00 0.80 0.00 0.00 33.01 30.16 1kno s GLN 82 CO -0.11 0.16 0.00 -1.64 -0.50 0.00 0.00 175.29 173.21 1kno s MET 83 N 0.76 2.67 -0.09 1.67 -1.94 0.43 -0.45 119.30 122.35 1kno s MET 83 Ca 0.07 -0.73 -0.07 0.00 -1.71 0.00 0.00 55.69 53.25 1kno s MET 83 Cb -0.13 -2.61 0.03 0.00 2.01 0.00 0.00 34.83 34.14 1kno s MET 83 CO 0.02 0.58 0.24 0.99 -0.01 0.00 0.00 175.02 176.84 1kno s THR 84 N -1.21 -0.01 -0.59 2.05 2.01 -1.02 -2.98 115.64 113.89 1kno s THR 84 Ca 0.23 0.04 -0.03 0.00 0.31 0.00 0.00 61.69 62.24 1kno s THR 84 Cb -0.12 -0.35 0.00 0.00 0.01 0.00 0.00 72.50 72.04 1kno s THR 84 CO 0.15 0.02 0.51 -1.20 -0.69 0.00 0.00 174.62 173.41 1kno n SER 85 N 3.31 -3.45 -4.55 3.53 7.64 -1.19 -4.53 113.62 114.39 1kno n SER 85 Ca -0.16 -0.25 -0.41 0.00 1.01 0.00 0.00 58.87 59.05 1kno n SER 85 Cb 0.57 -2.56 -0.04 0.00 -1.01 0.00 0.00 64.21 61.16 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 -2.50 2.48 0.00 -3.43 4.77 -0.83 -4.58 117.00 112.91 1kno n LEU 86 Ca -0.03 -0.08 -0.01 0.00 -0.03 0.00 0.00 56.01 55.86 1kno n LEU 86 Cb 0.54 -1.48 0.01 0.00 -2.33 0.00 0.00 43.42 40.15 1kno n LEU 86 CO 0.29 -1.09 0.02 0.54 -1.33 0.00 0.00 177.39 175.82 1kno n ARG 87 N 8.77 0.01 0.04 3.23 1.74 -1.26 -1.31 116.66 127.88 1kno n ARG 87 Ca 0.37 -0.06 -0.20 0.00 -0.77 0.00 0.00 57.85 57.20 1kno n ARG 87 Cb 0.43 -0.04 -0.11 0.00 -1.02 0.00 0.00 32.46 31.72 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 -0.05 0.73 -0.22 0.55 0.02 -1.93 -3.09 113.55 109.57 1kno h SER 88 Ca -0.01 -0.78 0.06 0.00 -0.84 0.00 0.00 61.79 60.22 1kno h SER 88 Cb 0.03 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1kno h SER 88 CO 0.01 1.42 0.20 -0.33 -1.14 0.00 0.00 176.83 176.99 1kno h GLU 89 N 0.12 0.00 0.00 3.45 3.07 -1.94 0.01 114.58 119.29 1kno h GLU 89 Ca -0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 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 0.17 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.53 1kno n ASP 90 N -4.02 0.00 -4.67 1.42 8.00 -1.17 -4.67 116.55 111.45 1kno n ASP 90 Ca 0.02 0.46 -0.42 0.00 0.71 0.00 0.00 54.79 55.56 1kno n ASP 90 Cb 0.34 -0.47 -0.03 0.00 -0.02 0.00 0.00 41.12 40.94 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 -2.94 3.41 -0.05 -3.53 2.01 -0.01 -4.87 115.64 109.65 1kno s THR 91 Ca 0.05 0.59 -0.23 0.00 0.31 0.00 0.00 61.69 62.41 1kno s THR 91 Cb 0.06 -3.38 0.08 0.00 0.01 0.00 0.00 72.50 69.26 1kno s THR 91 CO 0.15 -0.04 1.04 0.00 -0.69 0.00 0.00 174.62 175.08 1kno n ALA 92 N 6.80 -2.98 -2.64 7.40 0.00 -0.88 -4.50 120.51 123.71 1kno n ALA 92 Ca 0.17 -0.58 -0.39 0.00 0.00 0.00 0.00 53.44 52.64 1kno n ALA 92 Cb 0.42 0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.83 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 -2.00 4.11 -0.55 0.00 -2.45 0.06 -2.30 119.30 116.16 1kno s MET 93 Ca 0.25 0.21 -0.16 0.00 -1.25 0.00 0.00 55.69 54.74 1kno s MET 93 Cb -0.00 -3.60 0.13 0.00 1.25 0.00 0.00 34.83 32.61 1kno s MET 93 CO -0.02 -0.19 0.51 0.71 1.05 0.00 0.00 175.02 177.08 1kno s TYR 94 N 1.79 3.27 0.27 4.11 1.51 0.27 -1.65 117.35 126.91 1kno s TYR 94 Ca 0.19 -1.31 -0.04 0.00 -1.01 0.00 0.00 57.07 54.90 1kno s TYR 94 Cb -0.15 -3.80 -0.05 0.00 -0.11 0.00 0.00 41.96 37.85 1kno s TYR 94 CO 0.09 -1.02 0.51 0.71 -1.11 0.00 0.00 175.55 174.73 1kno s TYR 95 N 1.55 3.48 0.03 2.71 1.51 -0.00 -1.71 117.35 124.92 1kno s TYR 95 Ca 0.04 0.55 0.07 0.00 -1.01 0.00 0.00 57.07 56.71 1kno s TYR 95 Cb -0.29 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.50 1kno s TYR 95 CO 0.03 0.22 -0.19 0.00 -1.11 0.00 0.00 175.55 174.50 1kno s ALA 97 N -0.89 -0.21 0.37 0.00 0.00 -0.59 -1.23 121.76 119.21 1kno s ALA 97 Ca 0.14 0.40 -0.26 0.00 0.00 0.00 0.00 51.96 52.24 1kno s ALA 97 Cb -0.10 -0.26 -0.09 0.00 0.00 0.00 0.00 23.12 22.67 1kno s ALA 97 CO 0.04 -0.09 1.10 0.50 0.00 0.00 0.00 175.76 177.32 1kno s ARG 98 N 0.50 4.25 0.00 0.00 3.52 -0.63 -0.64 118.95 125.94 1kno s ARG 98 Ca -0.04 1.69 0.00 0.00 -0.13 0.00 0.00 55.73 57.26 1kno s ARG 98 Cb -0.05 -2.75 0.00 0.00 -1.56 0.00 0.00 34.95 30.59 1kno s ARG 98 CO -0.02 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 174.77 1kno n GLY 99 N 0.66 4.47 3.34 8.12 0.00 0.57 -4.40 105.19 117.94 1kno n GLY 99 Ca 0.03 -1.71 -0.16 0.00 0.00 0.00 0.00 46.02 44.19 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 -4.67 0.32 1.61 8.00 -1.26 -4.70 116.55 115.86 1kno n ASP 100 Ca 0.00 -0.68 0.21 0.00 0.71 0.00 0.00 54.79 55.03 1kno n ASP 100 Cb 0.00 -5.15 1.11 0.00 -0.02 0.00 0.00 41.12 37.06 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 -1.44 0.00 -0.43 1.24 -1.99 -1.92 -3.10 116.97 109.34 1kno h TYR 101 Ca -0.60 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.02 1kno h TYR 101 Cb 1.32 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.04 1kno h TYR 101 CO 0.36 0.01 0.28 0.71 -0.00 0.00 0.00 178.16 179.52 1kno s TYR 102 N -4.19 1.38 0.00 4.88 1.51 -1.26 -3.59 117.35 116.08 1kno s TYR 102 Ca -0.04 1.57 0.00 0.00 -1.01 0.00 0.00 57.07 57.59 1kno s TYR 102 Cb 0.13 -3.62 0.00 0.00 -0.11 0.00 0.00 41.96 38.36 1kno s TYR 102 CO 0.45 -1.49 0.00 0.41 -1.11 0.00 0.00 175.55 173.82 1kno n GLY 103 N 6.69 2.33 0.15 0.71 0.00 -1.26 -4.91 105.19 108.92 1kno n GLY 103 Ca 0.44 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 2.01 0.04 0.00 1.61 3.41 -1.17 -4.80 113.62 114.72 1kno n SER 104 Ca 0.00 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 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 -3.02 0.00 -1.33 4.33 0.63 -1.26 -4.93 116.66 111.08 1kno n ARG 105 Ca 0.12 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.76 1kno n ARG 105 Cb 0.49 0.00 0.13 0.00 0.45 0.00 0.00 32.46 33.53 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 1.60 -0.11 5.14 0.00 -1.26 -5.08 107.32 107.61 1kno s GLY 106 Ca 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 44.72 44.43 1kno s GLY 106 CO 0.00 0.27 0.23 0.00 0.00 0.00 0.00 173.10 173.61 1kno s ALA 107 N -3.05 -0.50 -0.04 3.20 0.00 -1.26 -4.94 121.76 115.17 1kno s ALA 107 Ca 0.63 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 53.49 1kno s ALA 107 Cb -0.17 -0.75 0.03 0.00 0.00 0.00 0.00 23.12 22.23 1kno s ALA 107 CO 0.56 -0.36 0.03 0.71 0.00 0.00 0.00 175.76 176.70 1kno s TYR 108 N 1.69 0.26 0.35 0.00 2.02 -1.26 -5.06 117.35 115.34 1kno s TYR 108 Ca -0.05 0.09 0.07 0.00 -0.37 0.00 0.00 57.07 56.81 1kno s TYR 108 Cb -0.11 -0.52 -0.01 0.00 -0.40 0.00 0.00 41.96 40.92 1kno s TYR 108 CO -0.08 -0.20 0.42 -1.58 -1.57 0.00 0.00 175.55 172.54 1kno s TRP 109 N 1.77 3.00 0.00 2.71 0.52 -1.26 -1.60 118.94 124.08 1kno s TRP 109 Ca 0.00 -0.27 0.00 0.00 0.02 0.00 0.00 56.10 55.85 1kno s TRP 109 Cb -0.12 -1.98 0.00 0.00 -1.15 0.00 0.00 33.47 30.22 1kno s TRP 109 CO -0.03 0.01 0.00 0.41 0.02 0.00 0.00 176.95 177.35 1kno n GLY 110 N -1.57 1.82 0.09 0.98 0.00 -0.36 -4.65 105.19 101.50 1kno n GLY 110 Ca 0.00 -2.08 -0.02 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.57 0.63 0.00 1.61 6.02 -1.26 -4.87 117.38 118.94 1kno n GLN 111 Ca 0.00 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 1kno n GLN 111 Cb 0.00 -1.78 0.00 0.00 1.02 0.00 0.00 30.24 29.48 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 1.45 0.40 3.28 1.08 0.00 -1.26 -4.94 105.19 105.20 1kno n GLY 112 Ca -0.12 -1.56 -0.19 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.51 1.51 -0.12 2.61 -1.32 -0.69 -4.79 115.64 110.34 1kno s THR 113 Ca 0.00 -1.89 -0.01 0.00 -1.21 0.00 0.00 61.69 58.58 1kno s THR 113 Cb 0.00 -1.73 -0.02 0.00 -1.51 0.00 0.00 72.50 69.23 1kno s THR 113 CO 0.00 -0.45 -0.09 -0.22 -2.21 0.00 0.00 174.62 171.65 1kno s LEU 114 N -2.73 3.00 -0.15 9.08 2.96 -1.26 0.94 118.68 130.52 1kno s LEU 114 Ca 0.14 -0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1kno s LEU 114 Cb -0.04 -1.68 0.04 0.00 0.50 0.00 0.00 46.19 45.01 1kno s LEU 114 CO 0.04 0.22 -0.03 0.54 -1.32 0.00 0.00 176.35 175.80 1kno s VAL 115 N 0.06 0.86 -0.25 1.68 0.11 -0.97 -1.30 120.40 120.59 1kno s VAL 115 Ca -0.03 -0.44 -0.07 0.00 -2.93 0.00 0.00 61.98 58.52 1kno s VAL 115 Cb -0.14 -1.07 -0.02 0.00 -1.53 0.00 0.00 36.38 33.61 1kno s VAL 115 CO 0.04 0.12 0.06 -0.89 -3.33 0.00 0.00 175.10 171.10 1kno s THR 116 N 1.74 4.18 -0.61 5.04 2.01 0.30 -2.07 115.64 126.24 1kno s THR 116 Ca 0.02 -0.24 -0.11 0.00 0.31 0.00 0.00 61.69 61.67 1kno s THR 116 Cb -0.15 -2.96 0.16 0.00 0.01 0.00 0.00 72.50 69.56 1kno s THR 116 CO -0.07 0.33 0.52 -0.69 -0.69 0.00 0.00 174.62 174.02 1kno s VAL 117 N 1.59 4.74 0.24 3.82 1.01 -1.25 0.53 120.40 131.08 1kno s VAL 117 Ca 0.06 -2.12 0.02 0.00 0.00 0.00 0.00 61.98 59.95 1kno s VAL 117 Cb -0.15 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 1kno s VAL 117 CO 0.03 -0.89 0.04 -0.55 0.00 0.00 0.00 175.10 173.73 1kno s SER 118 N 2.40 1.55 -0.02 3.32 0.15 -0.74 -4.38 113.70 115.98 1kno s SER 118 Ca 0.10 -1.29 0.19 0.00 0.70 0.00 0.00 55.95 55.65 1kno s SER 118 Cb -0.21 0.07 -0.21 0.00 -1.71 0.00 0.00 66.02 63.96 1kno s SER 118 CO -0.03 -0.61 0.55 0.00 1.20 0.00 0.00 173.24 174.36 1kno n ALA 119 N -0.43 2.05 -0.23 5.45 0.00 -1.26 -3.46 120.51 122.63 1kno n ALA 119 Ca -0.03 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1kno n ALA 119 Cb 0.65 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.45 0.00 0.00 0.00 0.00 -1.26 -5.00 120.51 111.80 1kno n ALA 120 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1kno n ALA 120 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.30 1kno n ALA 120 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1kno n LYS 121 N 0.00 -1.60 -2.71 0.00 2.85 -1.26 -5.12 118.16 110.32 1kno n LYS 121 Ca 0.00 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.98 1kno n LYS 121 Cb 0.00 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.37 1kno n LYS 121 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1kno s THR 124 N -1.76 4.91 -0.30 0.58 2.01 -1.26 -4.46 115.64 115.36 1kno s THR 124 Ca 0.00 0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.23 1kno s THR 124 Cb 0.00 -3.84 0.19 0.00 0.01 0.00 0.00 72.50 68.86 1kno s THR 124 CO 0.00 -0.78 0.64 -0.89 -0.69 0.00 0.00 174.62 172.90 1kno s THR 125 N -2.66 -0.93 0.40 -0.82 2.01 0.11 -4.92 115.64 108.83 1kno s THR 125 Ca 0.47 0.00 -0.27 0.00 0.31 0.00 0.00 61.69 62.20 1kno s THR 125 Cb -0.10 -0.97 -0.10 0.00 0.01 0.00 0.00 72.50 71.34 1kno s THR 125 CO 0.42 0.00 1.41 0.00 -0.69 0.00 0.00 174.62 175.76 1kno s ALA 126 N 2.86 3.41 0.57 7.40 0.00 -1.26 -1.61 121.76 133.12 1kno s ALA 126 Ca 0.15 1.43 -0.07 0.00 0.00 0.00 0.00 51.96 53.48 1kno s ALA 126 Cb -0.12 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.43 1kno s ALA 126 CO -0.23 -0.99 0.90 -1.25 0.00 0.00 0.00 175.76 174.20 1kno s PRO 127 N -2.17 3.22 -0.13 0.00 0.04 -1.26 -4.56 135.00 130.14 1kno s PRO 127 Ca 0.55 0.22 -0.05 0.00 0.04 0.00 0.00 61.00 61.77 1kno s PRO 127 Cb -0.43 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 1kno s PRO 127 CO 0.57 -0.55 0.04 -1.12 0.04 0.00 0.00 177.00 175.98 1kno s SER 128 N -4.23 5.56 -0.32 6.66 0.01 -0.80 -4.95 113.70 115.64 1kno s SER 128 Ca 0.52 0.17 -0.01 0.00 1.31 0.00 0.00 55.95 57.94 1kno s SER 128 Cb -0.11 -1.76 0.06 0.00 0.21 0.00 0.00 66.02 64.43 1kno s SER 128 CO 0.47 0.31 0.03 -0.69 0.41 0.00 0.00 173.24 173.77 1kno s VAL 129 N -0.46 2.95 -0.25 3.43 1.01 -1.25 -1.67 120.40 124.16 1kno s VAL 129 Ca 0.09 -1.55 -0.07 0.00 0.00 0.00 0.00 61.98 60.45 1kno s VAL 129 Cb -0.12 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 1kno s VAL 129 CO 0.02 -0.22 0.07 -0.31 0.00 0.00 0.00 175.10 174.66 1kno s TYR 130 N 1.21 3.08 0.11 5.22 2.02 0.15 -4.91 117.35 124.23 1kno s TYR 130 Ca -0.03 -0.42 -0.31 0.00 -0.37 0.00 0.00 57.07 55.94 1kno s TYR 130 Cb -0.20 -2.23 -0.08 0.00 -0.40 0.00 0.00 41.96 39.05 1kno s TYR 130 CO -0.02 -0.35 1.44 -1.25 -1.57 0.00 0.00 175.55 173.80 1kno s PRO 131 N 1.57 4.29 -1.15 -1.71 0.04 -1.26 0.09 135.00 136.87 1kno s PRO 131 Ca 0.06 2.12 -0.09 0.00 0.04 0.00 0.00 61.00 63.14 1kno s PRO 131 Cb -0.15 -3.30 0.25 0.00 0.04 0.00 0.00 34.50 31.35 1kno s PRO 131 CO 0.03 -0.50 1.38 1.28 0.04 0.00 0.00 177.00 179.24 1kno n LEU 132 N 4.23 5.87 -4.68 -3.56 4.77 0.38 -4.90 117.00 119.11 1kno n LEU 132 Ca 0.12 -4.93 -0.42 0.00 -0.03 0.00 0.00 56.01 50.75 1kno n LEU 132 Cb 0.42 -1.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.03 1kno n LEU 132 CO 0.59 1.33 1.34 0.00 -1.33 0.00 0.00 177.39 179.33 1kno s ALA 133 N -0.95 3.67 0.00 -1.18 0.00 -1.26 -2.41 121.76 119.62 1kno s ALA 133 Ca 0.34 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1kno s ALA 133 Cb -0.02 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1kno s ALA 133 CO -0.00 -1.17 0.14 -2.30 0.00 0.00 0.00 175.76 172.43 1kno n PRO 134 N 5.94 0.00 -0.16 0.00 -0.02 -1.26 -4.70 135.00 134.80 1kno n PRO 134 Ca 0.16 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1kno n PRO 134 Cb 0.41 -0.36 0.00 0.00 -0.02 0.00 0.00 33.50 33.53 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 -0.44 0.00 0.00 -1.45 3.14 -1.26 -2.02 118.33 116.30 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 -0.16 0.00 0.00 -1.06 0.00 0.00 33.84 32.62 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 2.54 0.00 0.00 0.00 -0.86 -4.83 105.19 102.04 1kno n GLY 137 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 1.40 0.00 0.00 1.61 9.92 -1.26 -3.33 116.55 124.89 1kno n ASP 138 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 1kno n ASP 138 Cb 0.50 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 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 -2.28 114.28 104.56 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 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 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 -1.38 0.00 0.00 4.28 -1.04 -1.26 -4.79 114.28 110.09 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 2.50 0.06 3.41 0.00 -0.96 -4.64 105.19 105.56 1kno n GLY 143 Ca 0.00 -0.62 0.13 0.00 0.00 0.00 0.00 46.02 45.53 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 1.29 0.49 -4.24 1.61 3.41 -1.26 -4.79 113.62 110.13 1kno n SER 144 Ca 0.00 -0.26 -0.26 0.00 -0.26 0.00 0.00 58.87 58.08 1kno n SER 144 Cb 0.00 0.05 -0.15 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 -2.84 2.45 -0.22 4.04 1.04 -1.26 -2.45 113.70 114.45 1kno s SER 145 Ca 0.16 -0.46 -0.00 0.00 0.48 0.00 0.00 55.95 56.13 1kno s SER 145 Cb 0.18 -0.23 0.06 0.00 0.10 0.00 0.00 66.02 66.13 1kno s SER 145 CO 0.61 0.20 -0.03 0.54 0.98 0.00 0.00 173.24 175.54 1kno s VAL 146 N -0.67 1.21 0.04 5.02 0.11 -0.71 -4.32 120.40 121.06 1kno s VAL 146 Ca 0.08 -1.00 -0.15 0.00 -2.93 0.00 0.00 61.98 57.98 1kno s VAL 146 Cb -0.08 -1.54 -0.06 0.00 -1.53 0.00 0.00 36.38 33.16 1kno s VAL 146 CO 0.01 -0.13 0.45 0.42 -3.33 0.00 0.00 175.10 172.52 1kno s THR 147 N 1.55 4.97 0.33 5.04 -4.23 -1.21 -2.89 115.64 119.19 1kno s THR 147 Ca -0.04 0.85 0.07 0.00 -1.18 0.00 0.00 61.69 61.38 1kno s THR 147 Cb -0.18 -3.73 -0.07 0.00 1.34 0.00 0.00 72.50 69.86 1kno s THR 147 CO -0.07 0.50 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.73 1kno s LEU 148 N -1.29 2.55 0.34 4.79 1.02 -0.53 -4.36 118.68 121.21 1kno s LEU 148 Ca 0.27 -1.28 -0.02 0.00 0.02 0.00 0.00 54.13 53.13 1kno s LEU 148 Cb -0.17 -0.70 0.00 0.00 0.02 0.00 0.00 46.19 45.34 1kno s LEU 148 CO 0.15 -0.40 0.47 -0.83 0.02 0.00 0.00 176.35 175.76 1kno s GLY 149 N -3.54 1.52 -0.12 -3.19 0.00 -1.01 -1.83 107.32 99.15 1kno s GLY 149 Ca 0.33 -1.54 -0.09 0.00 0.00 0.00 0.00 44.72 43.42 1kno s GLY 149 CO 0.15 -1.01 0.30 0.00 0.00 0.00 0.00 173.10 172.54 1kno s LEU 151 N 0.43 3.11 -0.33 0.00 2.96 0.11 -2.19 118.68 122.76 1kno s LEU 151 Ca -0.02 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.66 1kno s LEU 151 Cb -0.04 -1.78 0.10 0.00 0.50 0.00 0.00 46.19 44.97 1kno s LEU 151 CO -0.02 0.05 0.04 -0.69 -1.32 0.00 0.00 176.35 174.41 1kno s VAL 152 N 1.06 2.17 0.09 1.68 1.01 0.04 0.34 120.40 126.80 1kno s VAL 152 Ca 0.02 -2.23 0.07 0.00 0.00 0.00 0.00 61.98 59.83 1kno s VAL 152 Cb -0.14 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1kno s VAL 152 CO 0.01 -0.57 -0.19 -1.59 0.00 0.00 0.00 175.10 172.77 1kno s LYS 153 N 0.96 1.03 0.00 2.72 -2.85 -0.67 0.09 119.74 121.02 1kno s LYS 153 Ca 0.10 -1.09 0.00 0.00 -1.00 0.00 0.00 55.97 53.98 1kno s LYS 153 Cb -0.19 -1.22 0.00 0.00 -2.06 0.00 0.00 37.83 34.37 1kno s LYS 153 CO -0.09 0.28 0.00 0.41 0.10 0.00 0.00 175.35 176.05 1kno n GLY 154 N 1.17 0.76 3.71 0.59 0.00 0.63 -1.90 105.19 110.16 1kno n GLY 154 Ca -0.20 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.42 2.62 0.00 1.61 -0.85 -1.04 -4.24 117.35 113.03 1kno s TYR 155 Ca 0.00 -0.49 0.00 0.00 -0.52 0.00 0.00 57.07 56.06 1kno s TYR 155 Cb 0.00 -1.76 0.00 0.00 0.38 0.00 0.00 41.96 40.58 1kno s TYR 155 CO 0.00 0.30 0.00 0.34 -1.52 0.00 0.00 175.55 174.67 1kno n PHE 156 N -1.15 0.00 -1.69 -3.49 -0.00 -0.64 0.06 117.46 110.56 1kno n PHE 156 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 1kno n PHE 156 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.11 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 -0.01 1.84 -1.99 -7.13 -0.04 -1.26 0.08 135.00 126.48 1kno n PRO 157 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 1kno n PRO 157 Cb 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.47 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 0.67 3.59 0.57 0.54 0.41 -1.26 -4.78 118.70 118.44 1kno s GLU 158 Ca 0.00 0.66 0.06 0.00 -0.41 0.00 0.00 54.97 55.29 1kno s GLU 158 Cb 0.00 -2.13 0.06 0.00 -1.78 0.00 0.00 34.13 30.29 1kno s GLU 158 CO 0.00 -0.51 0.53 -0.35 -0.49 0.00 0.00 175.26 174.44 1kno n PRO 159 N -2.67 0.64 -4.15 0.39 -0.04 -1.26 -4.90 135.00 123.01 1kno n PRO 159 Ca 0.05 -3.43 -0.13 0.00 -0.04 0.00 0.00 63.50 59.96 1kno n PRO 159 Cb 0.54 0.21 -0.11 0.00 -0.04 0.00 0.00 33.50 34.10 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 -2.76 0.76 -0.23 0.52 0.11 -1.26 -4.10 120.40 113.44 1kno s VAL 160 Ca 0.40 -1.61 -0.01 0.00 -2.93 0.00 0.00 61.98 57.83 1kno s VAL 160 Cb -0.03 -1.29 0.02 0.00 -1.53 0.00 0.00 36.38 33.55 1kno s VAL 160 CO 0.25 -0.63 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.41 1kno s THR 161 N -2.60 2.70 -0.03 5.04 2.01 -0.38 -4.95 115.64 117.43 1kno s THR 161 Ca 0.04 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.09 1kno s THR 161 Cb -0.02 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 1kno s THR 161 CO -0.02 0.31 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.99 1kno s LEU 162 N 1.32 3.47 -0.08 4.42 0.20 -1.26 -1.10 118.68 125.67 1kno s LEU 162 Ca 0.02 0.02 -0.15 0.00 0.69 0.00 0.00 54.13 54.70 1kno s LEU 162 Cb -0.16 -1.93 0.03 0.00 -0.43 0.00 0.00 46.19 43.71 1kno s LEU 162 CO -0.06 0.31 0.36 0.42 -0.29 0.00 0.00 176.35 177.09 1kno s THR 164 N -1.01 0.03 -0.43 3.68 -4.23 -0.50 -4.98 115.64 108.20 1kno s THR 164 Ca 0.17 -0.23 -0.14 0.00 -1.18 0.00 0.00 61.69 60.31 1kno s THR 164 Cb -0.11 -0.60 0.04 0.00 1.34 0.00 0.00 72.50 73.17 1kno s THR 164 CO 0.07 -0.13 0.32 0.26 -0.54 0.00 0.00 174.62 174.60 1kno s TRP 165 N -0.61 3.25 -0.64 3.99 0.23 -1.25 -1.37 118.94 122.53 1kno s TRP 165 Ca -0.07 -0.82 -0.03 0.00 -2.03 0.00 0.00 56.10 53.15 1kno s TRP 165 Cb -0.04 -2.78 -0.03 0.00 0.03 0.00 0.00 33.47 30.65 1kno s TRP 165 CO 0.03 -0.69 0.58 0.09 0.96 0.00 0.00 176.95 177.92 1kno n ASN 170 N 5.13 -5.47 -1.19 2.95 3.02 -0.02 -1.11 115.26 118.57 1kno n ASN 170 Ca -0.12 -0.33 -0.01 0.00 -0.03 0.00 0.00 54.58 54.09 1kno n ASN 170 Cb 0.45 -3.81 -0.00 0.00 -0.61 0.00 0.00 39.78 35.81 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 -2.27 -0.42 0.00 6.41 7.64 -1.26 0.86 113.62 124.57 1kno n SER 171 Ca -0.03 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1kno n SER 171 Cb 0.55 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 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 -0.08 3.24 0.01 0.23 0.00 -1.20 -4.99 105.19 102.40 1kno n GLY 172 Ca -0.01 -0.91 -0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 -0.03 -4.62 1.61 7.64 0.25 -3.35 113.62 115.12 1kno n SER 173 Ca 0.00 0.18 -0.43 0.00 1.01 0.00 0.00 58.87 59.63 1kno n SER 173 Cb 0.00 -0.07 -0.02 0.00 -1.01 0.00 0.00 64.21 63.11 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 -5.13 3.81 0.00 -3.43 2.96 -0.27 -4.76 118.68 111.86 1kno s LEU 174 Ca -0.00 1.00 0.00 0.00 -0.22 0.00 0.00 54.13 54.91 1kno s LEU 174 Cb 0.00 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.15 1kno s LEU 174 CO 0.02 -1.12 0.98 -1.54 -1.32 0.00 0.00 176.35 173.37 1kno n SER 175 N 7.68 0.00 -3.89 3.68 3.41 -1.21 -3.92 113.62 119.37 1kno n SER 175 Ca 0.14 -1.96 -0.22 0.00 -0.26 0.00 0.00 58.87 56.57 1kno n SER 175 Cb 0.47 -0.19 -0.17 0.00 -0.26 0.00 0.00 64.21 64.06 1kno n SER 175 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1kno s SER 176 N -0.96 1.33 0.00 4.04 0.01 -1.26 -4.68 113.70 112.19 1kno s SER 176 Ca 0.00 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1kno s SER 176 Cb 0.00 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.68 1kno s SER 176 CO 0.00 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.19 1kno n GLY 177 N 4.31 0.73 3.84 3.44 0.00 -1.26 -4.68 105.19 111.57 1kno n GLY 177 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.13 5.02 -0.30 1.61 -7.23 -1.26 -0.98 120.40 115.14 1kno s VAL 179 Ca 0.00 0.77 -0.00 0.00 -1.81 0.00 0.00 61.98 60.94 1kno s VAL 179 Cb 0.00 -3.70 0.10 0.00 0.56 0.00 0.00 36.38 33.33 1kno s VAL 179 CO 0.00 0.51 0.08 -1.00 -0.31 0.00 0.00 175.10 174.37 1kno s HIS 180 N -1.16 2.05 -0.22 2.82 3.76 -0.12 -4.93 115.29 117.49 1kno s HIS 180 Ca 0.26 -1.90 -0.16 0.00 -0.15 0.00 0.00 55.06 53.11 1kno s HIS 180 Cb -0.16 -1.87 -0.04 0.00 1.11 0.00 0.00 32.58 31.63 1kno s HIS 180 CO 0.15 -0.87 0.44 0.99 -0.85 0.00 0.00 174.74 174.59 1kno s THR 181 N 1.50 5.16 0.34 1.30 2.01 -1.26 -0.19 115.64 124.49 1kno s THR 181 Ca 0.08 0.76 -0.15 0.00 0.31 0.00 0.00 61.69 62.69 1kno s THR 181 Cb -0.18 -3.76 -0.09 0.00 0.01 0.00 0.00 72.50 68.48 1kno s THR 181 CO -0.20 0.20 0.76 -0.36 -0.69 0.00 0.00 174.62 174.32 1kno s PHE 182 N 1.66 3.37 0.73 4.92 0.40 0.04 -4.98 117.98 124.12 1kno s PHE 182 Ca 0.20 1.25 -0.14 0.00 -0.60 0.00 0.00 56.93 57.63 1kno s PHE 182 Cb -0.15 -2.57 0.04 0.00 0.51 0.00 0.00 43.02 40.85 1kno s PHE 182 CO 0.09 0.06 1.17 -1.25 0.70 0.00 0.00 175.22 175.98 1kno s PRO 183 N -3.06 2.25 0.57 0.24 0.04 -1.26 -4.31 135.00 129.48 1kno s PRO 183 Ca 0.55 1.61 -0.17 0.00 0.04 0.00 0.00 61.00 63.03 1kno s PRO 183 Cb -0.10 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 1kno s PRO 183 CO 0.18 -1.71 1.05 0.00 0.04 0.00 0.00 177.00 176.55 1kno s ALA 184 N -2.18 2.78 -0.01 8.56 0.00 -1.26 -4.75 121.76 124.90 1kno s ALA 184 Ca 0.71 0.42 0.02 0.00 0.00 0.00 0.00 51.96 53.11 1kno s ALA 184 Cb -0.25 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 1kno s ALA 184 CO 0.46 -0.70 -0.08 0.08 0.00 0.00 0.00 175.76 175.52 1kno s VAL 185 N -2.38 0.63 -0.25 0.00 1.01 -0.52 -4.94 120.40 113.96 1kno s VAL 185 Ca 0.64 -0.34 -0.14 0.00 0.00 0.00 0.00 61.98 62.14 1kno s VAL 185 Cb -0.16 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1kno s VAL 185 CO 0.34 0.18 0.33 -0.22 0.00 0.00 0.00 175.10 175.73 1kno s LEU 186 N -0.16 4.07 -0.10 3.92 2.96 -1.26 -1.22 118.68 126.90 1kno s LEU 186 Ca 0.03 0.28 0.02 0.00 -0.22 0.00 0.00 54.13 54.24 1kno s LEU 186 Cb -0.03 -2.37 0.02 0.00 0.50 0.00 0.00 46.19 44.30 1kno s LEU 186 CO -0.00 -0.11 -0.13 -1.58 -1.32 0.00 0.00 176.35 173.20 1kno s GLN 187 N 1.72 1.96 7.03 1.98 2.00 0.12 -4.96 119.66 129.51 1kno s GLN 187 Ca 0.14 -0.47 0.00 0.00 -2.00 0.00 0.00 55.36 53.03 1kno s GLN 187 Cb -0.15 -1.69 0.00 0.00 0.80 0.00 0.00 33.01 31.97 1kno s GLN 187 CO 0.09 -0.06 0.00 0.43 -0.50 0.00 0.00 175.29 175.25 1kno n SER 188 N 4.18 0.00 -2.41 6.67 7.64 -1.26 -1.38 113.62 127.06 1kno n SER 188 Ca -0.19 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.53 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 9.33 3.50 -4.02 6.43 9.92 -1.26 -5.04 116.55 135.40 1kno n ASP 191 Ca 0.00 -3.11 -0.09 0.00 -0.53 0.00 0.00 54.79 51.06 1kno n ASP 191 Cb 0.00 -0.42 -0.08 0.00 -0.64 0.00 0.00 41.12 39.97 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 -3.60 1.49 0.15 0.64 1.43 -0.48 -4.90 118.68 113.42 1kno s LEU 192 Ca 0.41 -0.96 0.09 0.00 -1.03 0.00 0.00 54.13 52.64 1kno s LEU 192 Cb 0.39 0.76 -0.04 0.00 0.03 0.00 0.00 46.19 47.32 1kno s LEU 192 CO -0.02 -0.78 -0.13 -0.31 0.23 0.00 0.00 176.35 175.34 1kno s TYR 193 N -3.97 2.60 -0.01 0.29 2.02 0.11 -0.70 117.35 117.68 1kno s TYR 193 Ca 0.16 -0.23 -0.01 0.00 -0.37 0.00 0.00 57.07 56.62 1kno s TYR 193 Cb 0.05 -1.31 0.01 0.00 -0.40 0.00 0.00 41.96 40.31 1kno s TYR 193 CO -0.03 0.47 0.03 0.99 -1.57 0.00 0.00 175.55 175.44 1kno s THR 194 N -1.48 -0.01 -0.03 -0.71 2.01 -0.36 -0.26 115.64 114.80 1kno s THR 194 Ca 0.22 0.02 -0.11 0.00 0.31 0.00 0.00 61.69 62.14 1kno s THR 194 Cb -0.10 -0.06 0.02 0.00 0.01 0.00 0.00 72.50 72.37 1kno s THR 194 CO 0.13 0.01 0.23 -0.22 -0.69 0.00 0.00 174.62 174.08 1kno s LEU 195 N 0.13 1.17 0.04 4.42 0.20 0.11 -1.43 118.68 123.31 1kno s LEU 195 Ca -0.01 0.07 -0.01 0.00 0.69 0.00 0.00 54.13 54.87 1kno s LEU 195 Cb -0.02 0.95 -0.03 0.00 -0.43 0.00 0.00 46.19 46.66 1kno s LEU 195 CO -0.00 -0.33 -0.02 -0.94 -0.29 0.00 0.00 176.35 174.76 1kno s SER 196 N -1.01 0.36 -0.06 3.68 1.04 -1.26 -0.78 113.70 115.67 1kno s SER 196 Ca -0.11 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 55.59 1kno s SER 196 Cb -0.05 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.24 1kno s SER 196 CO 0.02 -0.46 -0.08 -0.55 0.98 0.00 0.00 173.24 173.16 1kno s SER 197 N -2.20 1.41 0.57 7.02 0.15 -0.93 -0.78 113.70 118.95 1kno s SER 197 Ca -0.04 -0.21 0.05 0.00 0.70 0.00 0.00 55.95 56.44 1kno s SER 197 Cb -0.01 -0.64 0.07 0.00 -1.71 0.00 0.00 66.02 63.73 1kno s SER 197 CO -0.06 -0.03 0.79 -0.94 1.20 0.00 0.00 173.24 174.20 1kno s SER 198 N 0.90 5.09 -0.28 5.45 1.04 0.73 -1.13 113.70 125.50 1kno s SER 198 Ca -0.11 -0.41 -0.25 0.00 0.48 0.00 0.00 55.95 55.66 1kno s SER 198 Cb -0.15 -0.31 0.13 0.00 0.10 0.00 0.00 66.02 65.80 1kno s SER 198 CO 0.01 -1.28 1.08 0.54 0.98 0.00 0.00 173.24 174.57 1kno s VAL 199 N -2.74 0.00 0.05 5.02 0.11 -0.76 -0.94 120.40 121.14 1kno s VAL 199 Ca 0.60 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.74 1kno s VAL 199 Cb -0.08 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.74 1kno s VAL 199 CO 0.39 0.00 -0.25 -0.89 -3.33 0.00 0.00 175.10 171.02 1kno s THR 200 N 0.11 2.04 0.14 5.04 2.01 -0.15 -1.45 115.64 123.37 1kno s THR 200 Ca 0.03 -1.36 -0.02 0.00 0.31 0.00 0.00 61.69 60.65 1kno s THR 200 Cb -0.05 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 1kno s THR 200 CO -0.07 0.32 0.08 0.68 -0.69 0.00 0.00 174.62 174.94 1kno s VAL 201 N -0.81 0.09 0.41 3.82 -7.23 -1.14 -4.65 120.40 110.89 1kno s VAL 201 Ca 0.11 -1.87 -0.23 0.00 -1.81 0.00 0.00 61.98 58.17 1kno s VAL 201 Cb -0.10 -2.06 -0.09 0.00 0.56 0.00 0.00 36.38 34.70 1kno s VAL 201 CO 0.02 -0.42 1.04 0.42 -0.31 0.00 0.00 175.10 175.85 1kno s THR 202 N -4.05 3.78 0.02 5.32 -4.23 -1.26 -1.74 115.64 113.47 1kno s THR 202 Ca 0.24 1.31 -0.04 0.00 -1.18 0.00 0.00 61.69 62.02 1kno s THR 202 Cb 0.07 -3.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.26 1kno s THR 202 CO 0.02 -0.04 0.61 -1.20 -0.54 0.00 0.00 174.62 173.47 1kno n SER 203 N -0.23 -0.12 -0.33 3.99 7.64 -1.02 -0.42 113.62 123.13 1kno n SER 203 Ca 0.06 0.64 0.09 0.00 1.01 0.00 0.00 58.87 60.67 1kno n SER 203 Cb 0.50 -0.24 0.19 0.00 -1.01 0.00 0.00 64.21 63.65 1kno n SER 203 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1kno n SER 204 N -2.99 -0.24 -0.24 6.43 3.41 -1.26 -1.16 113.62 117.57 1kno n SER 204 Ca 0.00 1.58 0.05 0.00 -0.26 0.00 0.00 58.87 60.24 1kno n SER 204 Cb 0.03 -0.52 0.17 0.00 -0.26 0.00 0.00 64.21 63.63 1kno n SER 204 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1kno h THR 206 N 0.00 0.47 -3.83 6.66 2.02 -1.11 -3.28 112.91 113.85 1kno h THR 206 Ca 0.49 -0.07 -0.68 0.00 0.77 0.00 0.00 66.41 66.92 1kno h THR 206 Cb 0.87 0.25 -0.29 0.00 -1.74 0.00 0.00 68.15 67.24 1kno h THR 206 CO -0.92 0.04 -0.83 0.86 0.37 0.00 0.00 175.52 175.04 1kno s TRP 207 N -6.07 2.59 -0.43 3.16 -0.00 -0.31 0.12 118.94 118.00 1kno s TRP 207 Ca -0.13 -0.59 0.01 0.00 -0.00 0.00 0.00 56.10 55.39 1kno s TRP 207 Cb 0.21 -1.67 0.47 0.00 -0.00 0.00 0.00 33.47 32.48 1kno s TRP 207 CO 0.75 -0.13 1.85 -0.35 -0.00 0.00 0.00 176.95 179.07 1kno n PRO 208 N 2.96 2.14 0.14 5.86 -0.04 -1.26 -4.81 135.00 139.98 1kno n PRO 208 Ca -0.18 -2.50 -0.01 0.00 -0.04 0.00 0.00 63.50 60.78 1kno n PRO 208 Cb 0.52 -1.98 0.22 0.00 -0.04 0.00 0.00 33.50 32.22 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 1.20 0.06 -1.21 3.54 0.02 -1.43 -3.44 113.55 112.29 1kno h SER 210 Ca 0.50 -0.03 -0.57 0.00 -0.84 0.00 0.00 61.79 60.85 1kno h SER 210 Cb 1.84 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 64.30 1kno h SER 210 CO 1.04 0.58 -0.43 -1.10 -1.14 0.00 0.00 176.83 175.78 1kno s GLN 211 N -3.83 2.27 -0.24 3.45 1.11 0.32 -5.08 119.66 117.66 1kno s GLN 211 Ca -0.02 -1.90 0.02 0.00 0.01 0.00 0.00 55.36 53.47 1kno s GLN 211 Cb 0.13 -2.03 0.05 0.00 -1.01 0.00 0.00 33.01 30.16 1kno s GLN 211 CO 0.76 -0.28 -0.12 -1.54 0.01 0.00 0.00 175.29 174.12 1kno s SER 212 N -4.03 4.16 -0.07 5.90 1.04 -1.26 -4.69 113.70 114.75 1kno s SER 212 Ca 0.37 -1.25 -0.13 0.00 0.48 0.00 0.00 55.95 55.42 1kno s SER 212 Cb 0.01 -1.51 -0.05 0.00 0.10 0.00 0.00 66.02 64.57 1kno s SER 212 CO 0.21 -0.16 0.34 -0.63 0.98 0.00 0.00 173.24 173.98 1kno s ILE 213 N 1.16 5.19 0.00 -1.02 1.01 -1.26 -4.95 121.20 121.33 1kno s ILE 213 Ca -0.06 0.67 0.01 0.00 0.00 0.00 0.00 60.65 61.27 1kno s ILE 213 Cb -0.19 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.63 1kno s ILE 213 CO -0.06 0.52 -0.02 -0.89 0.00 0.00 0.00 174.94 174.48 1kno s THR 214 N -0.56 0.17 -0.30 2.92 2.01 -1.26 -2.59 115.64 116.03 1kno s THR 214 Ca 0.21 -0.17 -0.17 0.00 0.31 0.00 0.00 61.69 61.87 1kno s THR 214 Cb -0.15 -0.16 -0.02 0.00 0.01 0.00 0.00 72.50 72.18 1kno s THR 214 CO 0.09 0.00 0.48 0.00 -0.69 0.00 0.00 174.62 174.50 1kno s ASN 217 N 1.65 4.99 -0.01 0.00 -0.87 -0.47 0.32 114.94 120.54 1kno s ASN 217 Ca 0.19 -1.32 0.03 0.00 -1.57 0.00 0.00 52.86 50.19 1kno s ASN 217 Cb -0.16 -1.75 -0.03 0.00 -0.02 0.00 0.00 41.25 39.30 1kno s ASN 217 CO 0.11 -0.30 -0.09 -0.69 -2.57 0.00 0.00 177.10 173.56 1kno s VAL 218 N 1.27 3.45 -0.16 1.60 1.01 0.10 -1.41 120.40 126.26 1kno s VAL 218 Ca -0.03 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 1kno s VAL 218 Cb -0.20 -2.45 0.06 0.00 0.00 0.00 0.00 36.38 33.79 1kno s VAL 218 CO -0.01 0.46 0.12 0.00 0.00 0.00 0.00 175.10 175.67 1kno s ALA 219 N -0.91 0.24 -0.58 5.51 0.00 -0.26 0.61 121.76 126.38 1kno s ALA 219 Ca 0.15 -0.11 -0.21 0.00 0.00 0.00 0.00 51.96 51.79 1kno s ALA 219 Cb -0.11 -1.04 0.07 0.00 0.00 0.00 0.00 23.12 22.04 1kno s ALA 219 CO 0.05 -1.09 0.81 -1.58 0.00 0.00 0.00 175.76 173.95 1kno s HIS 220 N 2.19 2.87 0.05 0.00 2.46 0.16 -1.25 115.29 121.77 1kno s HIS 220 Ca 0.03 -0.53 -0.19 0.00 0.47 0.00 0.00 55.06 54.84 1kno s HIS 220 Cb -0.15 -3.98 -0.08 0.00 -0.13 0.00 0.00 32.58 28.23 1kno s HIS 220 CO -0.09 -1.34 1.29 -1.35 -2.47 0.00 0.00 174.74 170.78 1kno h PRO 221 N 9.27 -0.45 0.00 2.88 0.11 -1.78 -1.33 132.00 140.70 1kno h PRO 221 Ca -0.28 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1kno h PRO 221 Cb 1.08 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1kno h PRO 221 CO 1.09 -0.30 0.12 0.00 -0.21 0.00 0.00 178.00 178.69 1kno n ALA 222 N -2.62 0.62 -0.74 -0.75 0.00 -1.26 -0.28 120.51 115.48 1kno n ALA 222 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1kno n ALA 222 Cb 0.23 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.97 0.48 -3.51 0.00 3.41 -1.10 -4.95 113.62 106.99 1kno n SER 223 Ca 0.00 -1.22 -0.19 0.00 -0.26 0.00 0.00 58.87 57.21 1kno n SER 223 Cb 0.12 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.14 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 -0.11 -2.42 -4.21 4.04 7.64 0.62 -4.93 113.62 114.26 1kno n SER 224 Ca 0.00 -0.65 -0.33 0.00 1.01 0.00 0.00 58.87 58.90 1kno n SER 224 Cb 0.39 -4.90 -0.16 0.00 -1.01 0.00 0.00 64.21 58.53 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 -3.41 2.42 -0.04 0.44 2.01 -0.53 -5.00 115.64 111.53 1kno s THR 225 Ca 0.08 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.24 1kno s THR 225 Cb -0.04 -2.01 0.02 0.00 0.01 0.00 0.00 72.50 70.48 1kno s THR 225 CO 0.75 0.52 -0.02 -0.75 -0.69 0.00 0.00 174.62 174.43 1kno s LYS 226 N 0.98 0.58 0.15 4.92 2.36 -1.26 0.37 119.74 127.84 1kno s LYS 226 Ca -0.02 -0.02 -0.07 0.00 -2.55 0.00 0.00 55.97 53.30 1kno s LYS 226 Cb -0.15 -0.67 -0.02 0.00 -1.05 0.00 0.00 37.83 35.95 1kno s LYS 226 CO -0.04 -0.10 0.22 0.14 1.55 0.00 0.00 175.35 177.12 1kno s VAL 227 N 0.95 0.08 -0.02 4.02 -7.23 0.20 -4.98 120.40 113.42 1kno s VAL 227 Ca -0.11 -1.51 -0.04 0.00 -1.81 0.00 0.00 61.98 58.51 1kno s VAL 227 Cb -0.14 -1.87 0.00 0.00 0.56 0.00 0.00 36.38 34.94 1kno s VAL 227 CO -0.01 -0.36 0.10 -1.81 -0.31 0.00 0.00 175.10 172.72 1kno s ASP 228 N -2.98 -0.02 -0.20 4.85 1.11 -1.25 0.01 116.67 118.19 1kno s ASP 228 Ca 0.18 -0.01 -0.01 0.00 0.18 0.00 0.00 52.55 52.89 1kno s ASP 228 Cb 0.04 0.21 0.06 0.00 1.07 0.00 0.00 42.92 44.30 1kno s ASP 228 CO -0.00 -0.18 -0.02 -0.54 1.18 0.00 0.00 175.17 175.61 1kno s LYS 229 N -0.62 1.19 -0.51 8.23 3.01 0.15 -4.93 119.74 126.27 1kno s LYS 229 Ca -0.07 -0.65 -0.27 0.00 -1.01 0.00 0.00 55.97 53.96 1kno s LYS 229 Cb -0.04 -2.26 -0.01 0.00 -1.01 0.00 0.00 37.83 34.51 1kno s LYS 229 CO 0.00 -0.57 1.72 0.21 0.51 0.00 0.00 175.35 177.22 1kno s LYS 230 N 1.63 3.02 -1.15 1.68 2.36 -1.26 -1.88 119.74 124.14 1kno s LYS 230 Ca -0.02 0.82 -0.23 0.00 -2.55 0.00 0.00 55.97 53.99 1kno s LYS 230 Cb -0.17 -4.26 -0.09 0.00 -1.05 0.00 0.00 37.83 32.26 1kno s LYS 230 CO -0.07 -2.25 1.94 0.42 1.55 0.00 0.00 175.35 176.94 1kno s ILE 231 N 7.61 3.52 0.09 5.43 -1.09 -1.07 -4.92 121.20 130.78 1kno s ILE 231 Ca 0.67 -0.84 -0.21 0.00 -2.23 0.00 0.00 60.65 58.04 1kno s ILE 231 Cb -0.15 -4.49 -0.07 0.00 -1.58 0.00 0.00 42.46 36.17 1kno s ILE 231 CO 0.26 -0.97 0.63 -1.61 -1.23 0.00 0.00 174.94 172.02 1kno s GLU 232 N 6.57 4.31 0.74 2.79 2.02 -1.26 -4.82 118.70 129.04 1kno s GLU 232 Ca 0.69 0.85 -0.12 0.00 0.02 0.00 0.00 54.97 56.41 1kno s GLU 232 Cb -0.02 -3.26 0.04 0.00 0.10 0.00 0.00 34.13 31.00 1kno s GLU 232 CO 0.12 0.59 1.09 -2.14 0.02 0.00 0.00 175.26 174.94 1kno s PRO 233 N -1.02 2.47 0.00 0.39 0.02 -1.26 -4.67 135.00 130.92 1kno s PRO 233 Ca 0.31 1.19 0.00 0.00 0.02 0.00 0.00 61.00 62.52 1kno s PRO 233 Cb -0.20 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.40 1kno s PRO 233 CO 0.21 -1.48 0.00 -2.13 -0.33 0.00 0.00 177.00 173.27 1kno n ARG 234 N -3.22 0.00 0.00 5.54 0.00 -1.26 -5.13 116.66 112.59 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