#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mkw s VAL 17 N 0.00 4.98 -1.13 1.39 1.01 -0.20 -3.59 120.40 122.86 1mkw s VAL 17 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1mkw s VAL 17 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1mkw s VAL 17 CO 0.00 0.43 0.00 -0.62 0.00 0.00 0.00 175.10 174.91 1mkw n GLU 18 N 3.77 -1.05 -3.30 2.72 -0.58 -1.26 -1.70 120.64 119.24 1mkw n GLU 18 Ca -0.16 0.64 -0.22 0.00 -0.42 0.00 0.00 57.16 57.00 1mkw n GLU 18 Cb 0.52 -4.87 0.04 0.00 -0.57 0.00 0.00 31.44 26.55 1mkw n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mkw n GLY 19 N -1.01 2.31 3.47 0.62 0.00 -1.26 -4.63 105.19 104.68 1mkw n GLY 19 Ca -0.16 -2.26 -0.23 0.00 0.00 0.00 0.00 46.02 43.38 1mkw n GLY 19 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mkw s GLN 20 N -4.40 1.67 0.25 1.61 -2.07 -0.71 -4.91 119.66 111.10 1mkw s GLN 20 Ca 0.47 -1.89 -0.31 0.00 -1.82 0.00 0.00 55.36 51.80 1mkw s GLN 20 Cb -0.04 -1.15 -0.11 0.00 -1.09 0.00 0.00 33.01 30.62 1mkw s GLN 20 CO 0.30 -0.06 1.58 -0.51 -1.32 0.00 0.00 175.29 175.28 1mkw s ASP 21 N -3.51 6.46 0.27 12.60 1.11 -1.26 -1.56 116.67 130.78 1mkw s ASP 21 Ca 0.33 2.82 -0.29 0.00 0.18 0.00 0.00 52.55 55.59 1mkw s ASP 21 Cb 0.07 -2.62 -0.09 0.00 1.07 0.00 0.00 42.92 41.34 1mkw s ASP 21 CO 0.14 -0.87 1.01 0.00 1.18 0.00 0.00 175.17 176.64 1mkw s ALA 22 N 0.41 3.35 0.67 5.23 0.00 0.41 -4.80 121.76 127.02 1mkw s ALA 22 Ca 0.66 0.73 -0.15 0.00 0.00 0.00 0.00 51.96 53.20 1mkw s ALA 22 Cb -0.46 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1mkw s ALA 22 CO 0.41 0.03 1.12 -1.21 0.00 0.00 0.00 175.76 176.11 1mkw s GLU 23 N -1.41 2.73 0.23 0.00 2.02 -1.26 -4.76 118.70 116.25 1mkw s GLU 23 Ca 0.44 1.42 -0.31 0.00 0.02 0.00 0.00 54.97 56.54 1mkw s GLU 23 Cb -0.28 -1.94 -0.11 0.00 0.10 0.00 0.00 34.13 31.90 1mkw s GLU 23 CO 0.35 -1.31 1.62 0.08 0.02 0.00 0.00 175.26 176.02 1mkw s VAL 24 N -2.32 2.23 0.00 2.63 1.01 -1.26 -2.34 120.40 120.36 1mkw s VAL 24 Ca 0.67 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1mkw s VAL 24 Cb -0.21 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1mkw s VAL 24 CO 0.42 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1mkw n GLY 25 N 3.12 1.42 0.37 4.51 0.00 -1.26 -4.92 105.19 108.44 1mkw n GLY 25 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 1mkw n GLY 25 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1mkw h LEU 26 N 0.00 0.57 -6.12 0.99 5.85 -1.84 -3.29 115.31 111.47 1mkw h LEU 26 Ca 0.00 0.03 -0.57 0.00 0.84 0.00 0.00 57.88 58.18 1mkw h LEU 26 Cb 0.00 -0.08 -0.39 0.00 0.37 0.00 0.00 40.66 40.56 1mkw h LEU 26 CO 0.00 0.29 -1.00 -0.24 -0.34 0.00 0.00 178.44 177.15 1mkw n SER 27 N -4.53 0.68 0.00 1.25 2.88 -1.26 -4.95 113.62 107.69 1mkw n SER 27 Ca 0.16 -2.77 0.01 0.00 -1.33 0.00 0.00 58.87 54.94 1mkw n SER 27 Cb 0.49 -0.63 0.03 0.00 -0.75 0.00 0.00 64.21 63.34 1mkw n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1mkw n PRO 28 N 1.56 0.01 -0.08 -1.46 -0.04 -1.24 -0.89 135.00 132.86 1mkw n PRO 28 Ca 0.24 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 64.24 1mkw n PRO 28 Cb 0.50 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.64 1mkw n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1mkw n TRP 29 N -1.44 0.22 -1.97 0.54 2.14 -1.06 -1.76 117.44 114.11 1mkw n TRP 29 Ca 0.00 -0.11 -0.41 0.00 2.07 0.00 0.00 57.50 59.05 1mkw n TRP 29 Cb 0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.49 1mkw n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1mkw s GLN 30 N -1.78 4.24 0.02 -2.67 2.00 -0.07 -0.31 119.66 121.09 1mkw s GLN 30 Ca 0.33 2.35 0.03 0.00 -2.00 0.00 0.00 55.36 56.08 1mkw s GLN 30 Cb 0.21 -3.10 -0.01 0.00 0.80 0.00 0.00 33.01 30.91 1mkw s GLN 30 CO 0.31 -0.47 -0.11 0.08 -0.50 0.00 0.00 175.29 174.60 1mkw s VAL 31 N 0.11 0.82 -0.24 1.34 1.01 0.59 -4.29 120.40 119.75 1mkw s VAL 31 Ca 0.61 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 1mkw s VAL 31 Cb -0.43 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 1mkw s VAL 31 CO 0.43 0.04 0.02 -0.04 0.00 0.00 0.00 175.10 175.55 1mkw s MET 32 N -0.75 3.44 -0.31 2.72 -1.94 -0.80 0.54 119.30 122.19 1mkw s MET 32 Ca 0.01 -0.61 -0.21 0.00 -1.71 0.00 0.00 55.69 53.17 1mkw s MET 32 Cb -0.06 -3.19 -0.01 0.00 2.01 0.00 0.00 34.83 33.58 1mkw s MET 32 CO 0.00 -0.23 0.66 -1.17 -0.01 0.00 0.00 175.02 174.27 1mkw s LEU 33 N 1.53 4.14 0.33 -0.03 0.20 -0.20 -1.28 118.68 123.37 1mkw s LEU 33 Ca 0.05 0.45 0.08 0.00 0.69 0.00 0.00 54.13 55.40 1mkw s LEU 33 Cb -0.15 -2.86 -0.03 0.00 -0.43 0.00 0.00 46.19 42.72 1mkw s LEU 33 CO 0.00 -0.51 0.23 -0.36 -0.29 0.00 0.00 176.35 175.42 1mkw s PHE 34 N 2.68 2.87 -0.11 5.38 0.40 0.77 -1.02 117.98 128.95 1mkw s PHE 34 Ca 0.26 -0.30 -0.12 0.00 -0.60 0.00 0.00 56.93 56.17 1mkw s PHE 34 Cb -0.15 -1.69 -0.05 0.00 0.51 0.00 0.00 43.02 41.64 1mkw s PHE 34 CO 0.12 0.28 0.28 0.50 0.70 0.00 0.00 175.22 177.09 1mkw s ARG 35 N -3.93 3.94 0.08 0.44 3.52 0.50 -3.02 118.95 120.49 1mkw s ARG 35 Ca 0.39 0.11 -0.20 0.00 -0.13 0.00 0.00 55.73 55.90 1mkw s ARG 35 Cb -0.05 -3.31 -0.10 0.00 -1.56 0.00 0.00 34.95 29.93 1mkw s ARG 35 CO 0.25 0.51 1.54 -0.22 -0.81 0.00 0.00 175.30 176.57 1mkw h LYS 36 N 5.68 0.32 -1.60 5.12 3.64 -0.98 -3.09 116.57 125.66 1mkw h LYS 36 Ca -0.48 -0.09 0.10 0.00 -1.27 0.00 0.00 60.65 58.91 1mkw h LYS 36 Cb 1.20 -0.04 -0.21 0.00 -0.41 0.00 0.00 32.23 32.77 1mkw h LYS 36 CO 0.67 0.48 -0.11 0.45 -2.27 0.00 0.00 179.45 178.68 1mkw s SER 36 N -5.76 -1.11 0.28 4.20 0.15 -1.26 -3.87 113.70 106.33 1mkw s SER 36 Ca -0.14 1.28 -0.29 0.00 0.70 0.00 0.00 55.95 57.50 1mkw s SER 36 Cb 0.07 2.17 -0.10 0.00 -1.71 0.00 0.00 66.02 66.45 1mkw s SER 36 CO 0.72 -0.21 1.17 -2.16 1.20 0.00 0.00 173.24 173.96 1mkw s PRO 37 N 2.84 4.54 0.10 5.44 0.04 -1.26 -5.07 135.00 141.62 1mkw s PRO 37 Ca 0.01 1.92 -0.31 0.00 0.04 0.00 0.00 61.00 62.66 1mkw s PRO 37 Cb -0.12 -3.17 -0.07 0.00 0.04 0.00 0.00 34.50 31.18 1mkw s PRO 37 CO -0.19 0.06 1.35 1.14 0.04 0.00 0.00 177.00 179.40 1mkw s GLN 38 N -1.35 4.34 -0.11 4.56 -2.07 -1.25 -4.67 119.66 119.12 1mkw s GLN 38 Ca 0.47 2.00 -0.30 0.00 -1.82 0.00 0.00 55.36 55.72 1mkw s GLN 38 Cb -0.34 -3.29 0.08 0.00 -1.09 0.00 0.00 33.01 28.37 1mkw s GLN 38 CO 0.43 -0.41 0.75 -1.83 -1.32 0.00 0.00 175.29 172.91 1mkw s GLU 39 N 1.17 0.94 0.07 9.60 -1.05 -1.17 -4.93 118.70 123.33 1mkw s GLU 39 Ca 0.63 0.38 -0.31 0.00 -0.15 0.00 0.00 54.97 55.52 1mkw s GLU 39 Cb -0.35 0.44 -0.06 0.00 -0.44 0.00 0.00 34.13 33.72 1mkw s GLU 39 CO 0.30 -0.26 1.27 -1.17 0.95 0.00 0.00 175.26 176.35 1mkw s LEU 40 N -0.87 4.36 -0.14 1.83 2.96 -1.26 -0.37 118.68 125.20 1mkw s LEU 40 Ca -0.07 2.10 0.09 0.00 -0.22 0.00 0.00 54.13 56.03 1mkw s LEU 40 Cb -0.01 -3.58 -0.15 0.00 0.50 0.00 0.00 46.19 42.96 1mkw s LEU 40 CO 0.07 -0.55 -0.00 0.18 -1.32 0.00 0.00 176.35 174.73 1mkw n LEU 41 N 4.10 0.72 -3.87 -0.68 4.77 -0.19 -4.90 117.00 116.96 1mkw n LEU 41 Ca 0.10 -0.02 -0.01 0.00 -0.03 0.00 0.00 56.01 56.05 1mkw n LEU 41 Cb 0.45 0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.65 1mkw n LEU 41 CO 0.57 0.43 0.91 0.00 -1.33 0.00 0.00 177.39 177.96 1mkw s GLY 43 N -3.42 1.62 0.27 0.00 0.00 0.19 -1.03 107.32 104.94 1mkw s GLY 43 Ca 0.22 -1.46 -0.14 0.00 0.00 0.00 0.00 44.72 43.34 1mkw s GLY 43 CO 0.02 -1.37 0.54 0.00 0.00 0.00 0.00 173.10 172.29 1mkw s ALA 44 N -2.19 -0.38 0.09 3.20 0.00 0.19 -3.46 121.76 119.21 1mkw s ALA 44 Ca 0.46 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.65 1mkw s ALA 44 Cb -0.10 1.02 -0.03 0.00 0.00 0.00 0.00 23.12 24.01 1mkw s ALA 44 CO 0.31 -0.89 -0.12 -1.54 0.00 0.00 0.00 175.76 173.52 1mkw s SER 45 N -3.02 1.60 -0.33 0.00 1.04 -0.34 -0.30 113.70 112.36 1mkw s SER 45 Ca 0.21 -0.74 -0.12 0.00 0.48 0.00 0.00 55.95 55.78 1mkw s SER 45 Cb -0.02 -0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.06 1mkw s SER 45 CO 0.09 -0.18 0.21 -0.22 0.98 0.00 0.00 173.24 174.13 1mkw s LEU 46 N -2.20 4.38 0.00 2.42 1.98 0.58 -0.82 118.68 125.02 1mkw s LEU 46 Ca 0.03 -0.44 0.17 0.00 -2.89 0.00 0.00 54.13 51.00 1mkw s LEU 46 Cb -0.06 -2.10 -0.10 0.00 0.66 0.00 0.00 46.19 44.60 1mkw s LEU 46 CO 0.01 -0.22 0.78 2.30 -1.89 0.00 0.00 176.35 177.34 1mkw n ILE 47 N 5.07 0.00 -3.34 6.68 -5.35 -0.67 -1.77 119.36 119.98 1mkw n ILE 47 Ca -0.13 -0.21 -0.04 0.00 -0.27 0.00 0.00 62.75 62.10 1mkw n ILE 47 Cb 0.50 1.10 0.01 0.00 -1.74 0.00 0.00 39.64 39.50 1mkw n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1mkw n SER 48 N -0.78 -0.94 -0.22 7.28 3.41 -1.14 -4.63 113.62 116.60 1mkw n SER 48 Ca 0.05 -1.64 0.14 0.00 -0.26 0.00 0.00 58.87 57.15 1mkw n SER 48 Cb 0.30 1.56 0.55 0.00 -0.26 0.00 0.00 64.21 66.37 1mkw n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1mkw n ASP 49 N -1.21 0.82 0.00 4.04 5.75 -1.26 -3.75 116.55 120.94 1mkw n ASP 49 Ca -0.04 -0.90 0.00 0.00 -0.01 0.00 0.00 54.79 53.84 1mkw n ASP 49 Cb 0.24 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 1mkw n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1mkw n ARG 50 N -0.62 1.69 -4.38 0.11 3.00 -1.26 -1.79 116.66 113.41 1mkw n ARG 50 Ca 0.16 0.00 -0.34 0.00 -0.01 0.00 0.00 57.85 57.65 1mkw n ARG 50 Cb 0.30 -0.90 -0.11 0.00 0.00 0.00 0.00 32.46 31.75 1mkw n ARG 50 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1mkw s TRP 51 N -1.63 3.08 -0.12 -1.55 0.52 -1.25 -0.64 118.94 117.35 1mkw s TRP 51 Ca 0.00 -0.07 0.02 0.00 0.02 0.00 0.00 56.10 56.07 1mkw s TRP 51 Cb 0.00 -1.89 0.01 0.00 -1.15 0.00 0.00 33.47 30.44 1mkw s TRP 51 CO 0.00 0.18 -0.19 0.08 0.02 0.00 0.00 176.95 177.04 1mkw s VAL 52 N -0.14 1.75 -0.15 4.03 1.01 -0.31 -1.67 120.40 124.91 1mkw s VAL 52 Ca 0.04 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.13 1mkw s VAL 52 Cb -0.13 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1mkw s VAL 52 CO 0.02 0.49 0.12 -0.22 0.00 0.00 0.00 175.10 175.52 1mkw s LEU 53 N 0.82 4.23 0.00 3.92 2.96 0.00 0.02 118.68 130.63 1mkw s LEU 53 Ca -0.09 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.15 1mkw s LEU 53 Cb -0.16 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.48 1mkw s LEU 53 CO 0.00 0.30 0.00 1.07 -1.32 0.00 0.00 176.35 176.40 1mkw n THR 54 N 2.72 0.00 -3.88 3.68 5.66 -0.84 -1.19 114.28 120.43 1mkw n THR 54 Ca -0.18 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.46 1mkw n THR 54 Cb 0.54 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.25 1mkw n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1mkw s ALA 55 N -1.27 3.77 0.27 1.79 0.00 -1.26 -1.93 121.76 123.13 1mkw s ALA 55 Ca 0.00 -0.67 -0.00 0.00 0.00 0.00 0.00 51.96 51.29 1mkw s ALA 55 Cb 0.00 -1.99 0.56 0.00 0.00 0.00 0.00 23.12 21.69 1mkw s ALA 55 CO 0.00 0.48 1.76 0.00 0.00 0.00 0.00 175.76 178.01 1mkw h ALA 56 N 5.49 1.33 0.00 0.00 0.00 -1.70 -2.26 119.26 122.12 1mkw h ALA 56 Ca -0.50 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1mkw h ALA 56 Cb 1.20 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1mkw h ALA 56 CO 0.63 -0.08 -0.03 1.12 0.00 0.00 0.00 179.25 180.89 1mkw h HIS 57 N 0.65 0.00 0.00 0.00 2.07 -1.91 0.33 115.15 116.28 1mkw h HIS 57 Ca 0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.00 1mkw h HIS 57 Cb 0.68 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.66 1mkw h HIS 57 CO -0.08 0.03 0.00 0.00 -3.07 0.00 0.00 177.93 174.81 1mkw n LEU 59 N -2.15 1.51 -3.70 0.00 4.77 -0.27 -4.95 117.00 112.20 1mkw n LEU 59 Ca 0.01 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.72 1mkw n LEU 59 Cb 0.18 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.11 1mkw n LEU 59 CO 0.17 0.25 -0.35 -0.22 -1.33 0.00 0.00 177.39 175.90 1mkw s LEU 60 N -4.32 1.16 0.17 2.23 2.96 -0.06 -1.91 118.68 118.92 1mkw s LEU 60 Ca 0.00 -0.94 -0.05 0.00 -0.22 0.00 0.00 54.13 52.92 1mkw s LEU 60 Cb 0.00 -0.56 -0.03 0.00 0.50 0.00 0.00 46.19 46.10 1mkw s LEU 60 CO 0.00 -0.34 0.19 -0.47 -1.32 0.00 0.00 176.35 174.41 1mkw s TYR 60 N 1.88 0.74 0.00 5.38 5.04 -1.12 -4.07 117.35 125.20 1mkw s TYR 60 Ca 0.02 -1.07 0.00 0.00 -2.44 0.00 0.00 57.07 53.58 1mkw s TYR 60 Cb -0.17 -0.30 0.00 0.00 0.35 0.00 0.00 41.96 41.85 1mkw s TYR 60 CO -0.13 -0.67 0.00 -2.30 -1.34 0.00 0.00 175.55 171.12 1mkw n PRO 60 N -0.21 0.00 -0.67 4.97 -0.02 -1.26 -1.05 135.00 136.76 1mkw n PRO 60 Ca -0.04 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.43 1mkw n PRO 60 Cb 0.64 0.00 0.23 0.00 -0.02 0.00 0.00 33.50 34.35 1mkw n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1mkw n TRP 60 N 0.00 1.59 -4.13 6.00 8.01 -1.26 -4.89 117.44 122.77 1mkw n TRP 60 Ca 0.00 -0.76 -0.34 0.00 -1.31 0.00 0.00 57.50 55.09 1mkw n TRP 60 Cb 0.00 -0.48 -0.01 0.00 -2.01 0.00 0.00 31.31 28.81 1mkw n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1mkw n ASP 60 N 0.12 -3.60 -4.76 -0.99 8.00 -1.24 -4.92 116.55 109.16 1mkw n ASP 60 Ca 0.25 -0.95 -0.35 0.00 0.71 0.00 0.00 54.79 54.45 1mkw n ASP 60 Cb 1.01 -3.09 -0.08 0.00 -0.02 0.00 0.00 41.12 38.94 1mkw n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1mkw s LYS 60 N -6.83 4.00 -0.36 -1.24 2.20 -0.22 -4.99 119.74 112.30 1mkw s LYS 60 Ca 0.69 -0.21 -0.05 0.00 -0.36 0.00 0.00 55.97 56.04 1mkw s LYS 60 Cb -0.37 -3.35 0.21 0.00 -1.51 0.00 0.00 37.83 32.80 1mkw s LYS 60 CO 0.90 0.41 1.03 1.21 -0.36 0.00 0.00 175.35 178.54 1mkw s ASN 60 N 0.04 -0.48 0.49 1.43 2.47 -1.16 -2.81 114.94 114.92 1mkw s ASN 60 Ca 0.09 -0.51 -0.18 0.00 0.42 0.00 0.00 52.86 52.68 1mkw s ASN 60 Cb -0.11 0.63 -0.09 0.00 -1.45 0.00 0.00 41.25 40.23 1mkw s ASN 60 CO -0.01 -0.02 0.98 -0.36 -3.72 0.00 0.00 177.10 173.97 1mkw s PHE 60 N 1.15 3.32 0.40 0.43 0.08 -0.80 -5.04 117.98 117.52 1mkw s PHE 60 Ca 0.23 1.53 0.07 0.00 0.12 0.00 0.00 56.93 58.88 1mkw s PHE 60 Cb 0.09 -2.86 -0.05 0.00 -0.57 0.00 0.00 43.02 39.63 1mkw s PHE 60 CO -0.11 -0.39 0.15 0.95 -0.10 0.00 0.00 175.22 175.73 1mkw s THR 60 N -2.39 2.35 -1.04 0.64 -4.23 -1.26 -4.98 115.64 104.73 1mkw s THR 60 Ca 0.61 -1.75 0.04 0.00 -1.18 0.00 0.00 61.69 59.42 1mkw s THR 60 Cb -0.11 -2.98 0.04 0.00 1.34 0.00 0.00 72.50 70.79 1mkw s THR 60 CO 0.24 -0.03 1.12 1.33 -0.54 0.00 0.00 174.62 176.74 1mkw n VAL 61 N -1.18 1.64 0.31 2.29 0.24 -1.26 -1.54 118.33 118.83 1mkw n VAL 61 Ca -0.02 0.41 0.12 0.00 -2.04 0.00 0.00 64.34 62.81 1mkw n VAL 61 Cb 0.64 -1.34 0.14 0.00 -1.47 0.00 0.00 33.84 31.82 1mkw n VAL 61 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1mkw h ASP 62 N 0.00 0.00 -0.22 -1.34 3.32 -1.94 -3.36 116.42 112.88 1mkw h ASP 62 Ca 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1mkw h ASP 62 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1mkw h ASP 62 CO 0.00 0.03 0.00 -0.90 -1.72 0.00 0.00 179.24 176.65 1mkw n ASP 63 N -2.62 2.53 -4.33 6.45 5.68 -0.59 -4.93 116.55 118.74 1mkw n ASP 63 Ca 0.03 -1.90 -0.26 0.00 -0.50 0.00 0.00 54.79 52.16 1mkw n ASP 63 Cb 0.50 -0.14 -0.13 0.00 -1.14 0.00 0.00 41.12 40.21 1mkw n ASP 63 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1mkw s LEU 64 N -0.95 2.32 0.06 -2.12 1.43 -1.22 -0.32 118.68 117.88 1mkw s LEU 64 Ca 0.16 -0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1mkw s LEU 64 Cb 0.09 -1.02 -0.04 0.00 0.03 0.00 0.00 46.19 45.25 1mkw s LEU 64 CO 0.11 0.10 -0.02 -0.76 0.23 0.00 0.00 176.35 176.02 1mkw s LEU 65 N -2.02 2.40 -0.05 1.79 1.43 -1.17 -4.62 118.68 116.44 1mkw s LEU 65 Ca 0.10 -1.03 0.02 0.00 -1.03 0.00 0.00 54.13 52.19 1mkw s LEU 65 Cb -0.10 0.21 0.02 0.00 0.03 0.00 0.00 46.19 46.35 1mkw s LEU 65 CO 0.05 -0.62 -0.09 -0.69 0.23 0.00 0.00 176.35 175.24 1mkw s VAL 66 N -3.93 0.85 -0.10 -1.59 1.01 -0.93 -0.17 120.40 115.54 1mkw s VAL 66 Ca 0.09 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 1mkw s VAL 66 Cb 0.08 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 1mkw s VAL 66 CO -0.08 0.29 -0.00 -0.60 0.00 0.00 0.00 175.10 174.70 1mkw s ARG 67 N 0.69 3.12 0.04 2.72 6.06 -0.41 -1.04 118.95 130.14 1mkw s ARG 67 Ca -0.12 -0.43 0.04 0.00 -2.50 0.00 0.00 55.73 52.72 1mkw s ARG 67 Cb -0.14 -2.82 -0.02 0.00 0.06 0.00 0.00 34.95 32.02 1mkw s ARG 67 CO 0.02 0.61 -0.12 0.42 -2.50 0.00 0.00 175.30 173.73 1mkw s ILE 68 N -0.64 0.96 0.00 4.11 1.01 0.37 -1.91 121.20 125.09 1mkw s ILE 68 Ca 0.10 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1mkw s ILE 68 Cb -0.12 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.46 1mkw s ILE 68 CO 0.02 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.51 1mkw n GLY 69 N 1.88 -2.19 3.57 6.18 0.00 -1.26 0.23 105.19 113.60 1mkw n GLY 69 Ca -0.19 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.34 1mkw n GLY 69 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mkw s LYS 70 N -0.27 2.80 -0.21 1.61 2.20 0.14 -4.69 119.74 121.33 1mkw s LYS 70 Ca 0.00 1.19 0.02 0.00 -0.36 0.00 0.00 55.97 56.83 1mkw s LYS 70 Cb 0.00 -4.37 -0.14 0.00 -1.51 0.00 0.00 37.83 31.81 1mkw s LYS 70 CO 0.00 -2.50 -0.17 1.58 -0.36 0.00 0.00 175.35 173.90 1mkw n HIS 71 N 12.50 0.00 -3.60 4.03 -0.00 -1.26 -3.92 115.22 122.98 1mkw n HIS 71 Ca 0.26 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.79 1mkw n HIS 71 Cb 0.50 -0.81 -0.03 0.00 -0.00 0.00 0.00 29.99 29.65 1mkw n HIS 71 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1mkw n SER 72 N -3.08 -0.31 0.00 0.26 7.64 -1.26 -4.52 113.62 112.34 1mkw n SER 72 Ca -0.37 -0.67 0.00 0.00 1.01 0.00 0.00 58.87 58.84 1mkw n SER 72 Cb 0.91 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1mkw n SER 72 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1mkw n ARG 73 N -2.95 0.00 0.00 1.43 0.63 -1.09 -4.65 116.66 110.03 1mkw n ARG 73 Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 1mkw n ARG 73 Cb 0.34 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.25 1mkw n ARG 73 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1mkw n THR 74 N 0.00 0.00 -3.54 5.15 -1.04 -1.26 -4.41 114.28 109.18 1mkw n THR 74 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1mkw n THR 74 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 1mkw n THR 74 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mkw s ARG 75 N -0.26 0.73 -0.81 -2.82 1.70 -1.26 -5.07 118.95 111.16 1mkw s ARG 75 Ca 0.00 -0.07 -0.21 0.00 -0.47 0.00 0.00 55.73 54.98 1mkw s ARG 75 Cb 0.00 0.34 0.09 0.00 -0.57 0.00 0.00 34.95 34.81 1mkw s ARG 75 CO 0.00 -0.28 1.09 0.71 -1.08 0.00 0.00 175.30 175.74 1mkw s TYR 76 N -2.11 2.84 -2.00 5.89 1.51 -1.26 -4.87 117.35 117.34 1mkw s TYR 76 Ca 0.01 -0.92 0.01 0.00 -1.01 0.00 0.00 57.07 55.16 1mkw s TYR 76 Cb -0.01 -4.34 0.06 0.00 -0.11 0.00 0.00 41.96 37.57 1mkw s TYR 76 CO -0.03 -1.62 0.31 0.39 -1.11 0.00 0.00 175.55 173.49 1mkw n GLU 77 N 7.38 0.21 0.00 -0.62 -0.58 -1.26 -4.78 120.64 120.99 1mkw n GLU 77 Ca 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1mkw n GLU 77 Cb 0.48 -1.08 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 1mkw n GLU 77 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1mkw n ARG 77 N -0.58 0.00 -0.34 3.49 1.85 -1.26 -0.91 116.66 118.91 1mkw n ARG 77 Ca 0.01 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 56.89 1mkw n ARG 77 Cb 0.00 0.00 0.18 0.00 -1.05 0.00 0.00 32.46 31.60 1mkw n ARG 77 CO 0.00 0.00 0.00 1.57 -0.01 0.00 0.00 177.63 179.19 1mkw h LYS 78 N 0.00 0.96 -0.50 2.89 -0.00 -1.94 -2.46 116.57 115.52 1mkw h LYS 78 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 60.65 60.59 1mkw h LYS 78 Cb 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 32.23 32.01 1mkw h LYS 78 CO 0.00 0.64 0.00 1.33 -0.00 0.00 0.00 179.45 181.42 1mkw n VAL 79 N -4.62 0.79 -4.46 0.07 0.24 -0.09 -4.94 118.33 105.32 1mkw n VAL 79 Ca 0.15 -0.90 -0.22 0.00 -2.04 0.00 0.00 64.34 61.33 1mkw n VAL 79 Cb 0.25 0.69 -0.16 0.00 -1.47 0.00 0.00 33.84 33.15 1mkw n VAL 79 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1mkw s GLU 80 N -1.14 1.26 -0.16 7.34 2.12 -0.93 0.26 118.70 127.46 1mkw s GLU 80 Ca 0.38 -0.34 -0.05 0.00 0.36 0.00 0.00 54.97 55.33 1mkw s GLU 80 Cb 0.21 -1.12 -0.03 0.00 0.26 0.00 0.00 34.13 33.45 1mkw s GLU 80 CO 0.28 0.07 -0.01 0.21 -0.54 0.00 0.00 175.26 175.26 1mkw s LYS 81 N 0.45 3.74 -0.13 4.30 2.20 0.14 -4.38 119.74 126.05 1mkw s LYS 81 Ca -0.09 -0.48 -0.07 0.00 -0.36 0.00 0.00 55.97 54.97 1mkw s LYS 81 Cb -0.12 -2.98 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 1mkw s LYS 81 CO 0.02 0.26 0.14 0.42 -0.36 0.00 0.00 175.35 175.82 1mkw s ILE 82 N 0.34 5.48 0.01 5.43 1.01 -1.26 -0.48 121.20 131.73 1mkw s ILE 82 Ca -0.02 0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.84 1mkw s ILE 82 Cb -0.14 -3.41 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 1mkw s ILE 82 CO 0.02 0.59 -0.04 -0.44 0.00 0.00 0.00 174.94 175.07 1mkw s SER 83 N -0.78 0.48 0.48 3.58 0.01 -0.20 -5.00 113.70 112.27 1mkw s SER 83 Ca 0.14 -0.27 -0.02 0.00 1.31 0.00 0.00 55.95 57.10 1mkw s SER 83 Cb -0.12 0.01 -0.01 0.00 0.21 0.00 0.00 66.02 66.11 1mkw s SER 83 CO 0.03 -0.09 0.74 -0.04 0.41 0.00 0.00 173.24 174.29 1mkw s MET 84 N -0.74 3.12 0.30 12.44 -1.94 -1.26 -2.20 119.30 129.02 1mkw s MET 84 Ca -0.05 -0.25 0.07 0.00 -1.71 0.00 0.00 55.69 53.75 1mkw s MET 84 Cb -0.05 -2.46 -0.03 0.00 2.01 0.00 0.00 34.83 34.30 1mkw s MET 84 CO -0.00 -0.35 0.29 -0.51 -0.01 0.00 0.00 175.02 174.44 1mkw s LEU 85 N -4.68 3.75 -0.11 -0.03 1.43 -1.26 -1.65 118.68 116.13 1mkw s LEU 85 Ca 0.49 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 53.20 1mkw s LEU 85 Cb -0.10 -2.36 -0.05 0.00 0.03 0.00 0.00 46.19 43.71 1mkw s LEU 85 CO 0.41 -0.25 -0.14 -0.67 0.23 0.00 0.00 176.35 175.93 1mkw n ASP 86 N -1.35 1.18 -3.69 2.29 -0.08 0.37 -4.53 116.55 110.74 1mkw n ASP 86 Ca -0.04 0.11 -0.10 0.00 -1.51 0.00 0.00 54.79 53.25 1mkw n ASP 86 Cb 0.59 -0.31 -0.05 0.00 2.34 0.00 0.00 41.12 43.69 1mkw n ASP 86 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1mkw s LYS 87 N -2.21 1.07 -0.01 -0.67 1.02 -1.06 -4.97 119.74 112.91 1mkw s LYS 87 Ca -0.16 -0.78 0.05 0.00 0.02 0.00 0.00 55.97 55.10 1mkw s LYS 87 Cb 0.06 0.45 -0.01 0.00 -0.52 0.00 0.00 37.83 37.81 1mkw s LYS 87 CO 0.21 -0.41 -0.17 0.42 -0.92 0.00 0.00 175.35 174.47 1mkw s ILE 88 N -3.83 1.36 -0.12 2.17 1.01 -1.26 -0.12 121.20 120.41 1mkw s ILE 88 Ca 0.05 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 1mkw s ILE 88 Cb 0.02 -1.13 0.03 0.00 0.01 0.00 0.00 42.46 41.39 1mkw s ILE 88 CO -0.10 0.38 -0.06 -0.31 0.00 0.00 0.00 174.94 174.84 1mkw s TYR 89 N -0.41 1.46 -0.19 3.97 1.51 0.91 -4.97 117.35 119.62 1mkw s TYR 89 Ca 0.07 -0.76 -0.07 0.00 -1.01 0.00 0.00 57.07 55.29 1mkw s TYR 89 Cb -0.07 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.53 1mkw s TYR 89 CO -0.01 -0.52 0.04 0.42 -1.11 0.00 0.00 175.55 174.38 1mkw s ILE 90 N 1.72 4.52 0.09 2.71 1.01 -1.26 -1.06 121.20 128.93 1mkw s ILE 90 Ca 0.04 -0.12 -0.36 0.00 0.00 0.00 0.00 60.65 60.21 1mkw s ILE 90 Cb -0.13 -3.04 -0.18 0.00 0.01 0.00 0.00 42.46 39.12 1mkw s ILE 90 CO -0.08 0.44 1.08 1.57 0.00 0.00 0.00 174.94 177.95 1mkw n HIS 91 N 3.82 0.87 -0.17 3.97 -0.00 -1.03 -4.85 115.22 117.82 1mkw n HIS 91 Ca -0.17 0.85 -0.02 0.00 -0.00 0.00 0.00 57.72 58.39 1mkw n HIS 91 Cb 0.52 -2.18 0.08 0.00 -0.00 0.00 0.00 29.99 28.41 1mkw n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1mkw h PRO 92 N 3.18 0.26 -1.28 1.57 0.13 -1.94 -3.08 132.00 130.84 1mkw h PRO 92 Ca -0.45 -0.02 -0.47 0.00 -0.87 0.00 0.00 66.00 64.19 1mkw h PRO 92 Cb 1.39 -0.06 -0.20 0.00 0.13 0.00 0.00 31.00 32.25 1mkw h PRO 92 CO 0.68 0.17 0.61 0.54 -0.23 0.00 0.00 178.00 179.78 1mkw n ARG 93 N -5.09 2.17 -2.71 0.86 1.74 -1.26 -4.97 116.66 107.40 1mkw n ARG 93 Ca 0.06 -2.30 -0.41 0.00 -0.77 0.00 0.00 57.85 54.43 1mkw n ARG 93 Cb 0.25 -1.90 -0.04 0.00 -1.02 0.00 0.00 32.46 29.75 1mkw n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1mkw s TYR 94 N -2.67 3.77 -0.52 -1.55 5.04 -1.17 -4.63 117.35 115.63 1mkw s TYR 94 Ca 0.45 1.77 0.01 0.00 -2.44 0.00 0.00 57.07 56.86 1mkw s TYR 94 Cb 0.36 -3.08 0.13 0.00 0.35 0.00 0.00 41.96 39.72 1mkw s TYR 94 CO -0.00 0.11 0.29 1.21 -1.34 0.00 0.00 175.55 175.81 1mkw s ASN 95 N 0.16 4.82 0.23 4.32 2.47 -0.38 -4.88 114.94 121.67 1mkw s ASN 95 Ca 0.48 -2.72 0.11 0.00 0.42 0.00 0.00 52.86 51.15 1mkw s ASN 95 Cb -0.23 -1.74 0.16 0.00 -1.45 0.00 0.00 41.25 37.99 1mkw s ASN 95 CO 0.30 -0.34 1.49 4.11 -3.72 0.00 0.00 177.10 178.94 1mkw h TRP 96 N 7.03 0.00 0.02 0.43 5.08 -1.93 0.68 115.95 127.26 1mkw h TRP 96 Ca -0.06 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.91 1mkw h TRP 96 Cb 0.95 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.11 1mkw h TRP 96 CO 0.58 0.71 -0.01 0.87 -1.28 0.00 0.00 178.44 179.31 1mkw h LYS 97 N 0.00 -0.03 0.00 0.12 1.57 -1.99 -3.40 116.57 112.84 1mkw h LYS 97 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1mkw h LYS 97 Cb 1.35 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.67 1mkw h LYS 97 CO 0.09 0.03 -0.14 -0.85 -0.57 0.00 0.00 179.45 178.02 1mkw n GLU 97 N -5.08 0.07 -0.17 3.15 0.28 -1.26 -4.91 120.64 112.73 1mkw n GLU 97 Ca -0.07 0.03 0.07 0.00 -0.16 0.00 0.00 57.16 57.02 1mkw n GLU 97 Cb 0.06 -0.58 0.09 0.00 1.43 0.00 0.00 31.44 32.45 1mkw n GLU 97 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1mkw n ASN 98 N -2.79 1.68 -3.69 -1.84 0.23 -1.26 -4.99 115.26 102.61 1mkw n ASN 98 Ca -0.02 -2.70 -0.22 0.00 -0.53 0.00 0.00 54.58 51.12 1mkw n ASN 98 Cb 0.07 -0.33 0.04 0.00 -2.08 0.00 0.00 39.78 37.48 1mkw n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1mkw n LEU 99 N -0.99 -3.15 -4.79 -4.53 4.77 0.21 -4.96 117.00 103.57 1mkw n LEU 99 Ca 0.11 -0.79 -0.36 0.00 -0.03 0.00 0.00 56.01 54.94 1mkw n LEU 99 Cb 0.63 -2.71 -0.05 0.00 -2.33 0.00 0.00 43.42 38.96 1mkw n LEU 99 CO 0.01 0.42 0.69 -0.62 -1.33 0.00 0.00 177.39 176.55 1mkw s ASP 100 N -4.23 6.93 -1.31 -1.43 2.15 -1.10 -3.62 116.67 114.06 1mkw s ASP 100 Ca 0.08 1.89 -0.00 0.00 0.43 0.00 0.00 52.55 54.95 1mkw s ASP 100 Cb -0.04 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 1mkw s ASP 100 CO 0.80 -0.37 0.72 0.54 -0.17 0.00 0.00 175.17 176.70 1mkw n ARG 101 N -0.10 -5.03 -2.71 4.34 1.74 -1.26 -1.25 116.66 112.38 1mkw n ARG 101 Ca 0.05 0.63 -0.43 0.00 -0.77 0.00 0.00 57.85 57.33 1mkw n ARG 101 Cb 0.51 -5.23 0.00 0.00 -1.02 0.00 0.00 32.46 26.72 1mkw n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1mkw n ASP 102 N -3.06 5.04 -3.79 0.55 2.03 -1.24 -4.46 116.55 111.63 1mkw n ASP 102 Ca -0.29 -2.94 -0.13 0.00 0.52 0.00 0.00 54.79 51.95 1mkw n ASP 102 Cb 0.67 -1.68 -0.12 0.00 -0.72 0.00 0.00 41.12 39.27 1mkw n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1mkw s ILE 103 N 3.24 -0.00 0.03 5.18 2.07 -1.26 -3.96 121.20 126.50 1mkw s ILE 103 Ca 0.50 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.69 1mkw s ILE 103 Cb 0.02 -0.33 -0.01 0.00 0.13 0.00 0.00 42.46 42.26 1mkw s ILE 103 CO 0.05 0.00 0.09 0.00 -1.91 0.00 0.00 174.94 173.17 1mkw s ALA 104 N 0.13 -0.07 -0.08 1.50 0.00 -0.81 -2.46 121.76 119.96 1mkw s ALA 104 Ca -0.00 -0.53 0.05 0.00 0.00 0.00 0.00 51.96 51.48 1mkw s ALA 104 Cb -0.02 0.24 -0.00 0.00 0.00 0.00 0.00 23.12 23.34 1mkw s ALA 104 CO 0.00 -0.31 -0.23 -0.51 0.00 0.00 0.00 175.76 174.72 1mkw s LEU 105 N -2.06 2.04 -0.18 0.00 1.43 -0.22 -1.99 118.68 117.70 1mkw s LEU 105 Ca -0.06 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.52 1mkw s LEU 105 Cb -0.02 -1.32 0.00 0.00 0.03 0.00 0.00 46.19 44.88 1mkw s LEU 105 CO -0.04 0.18 -0.13 -0.76 0.23 0.00 0.00 176.35 175.83 1mkw s LEU 106 N 0.14 2.51 -0.29 1.79 1.02 0.10 -0.07 118.68 123.89 1mkw s LEU 106 Ca -0.11 -0.50 -0.11 0.00 0.02 0.00 0.00 54.13 53.43 1mkw s LEU 106 Cb -0.16 -1.60 -0.04 0.00 0.02 0.00 0.00 46.19 44.42 1mkw s LEU 106 CO 0.06 0.03 0.18 -0.75 0.02 0.00 0.00 176.35 175.89 1mkw s LYS 107 N 1.17 3.84 0.76 1.70 2.20 0.82 -1.16 119.74 129.07 1mkw s LYS 107 Ca 0.02 -0.39 -0.14 0.00 -0.36 0.00 0.00 55.97 55.09 1mkw s LYS 107 Cb -0.14 -3.65 0.06 0.00 -1.51 0.00 0.00 37.83 32.59 1mkw s LYS 107 CO -0.05 -0.23 1.18 -0.51 -0.36 0.00 0.00 175.35 175.39 1mkw s LEU 108 N 1.74 3.22 0.22 5.43 1.43 0.18 -0.48 118.68 130.43 1mkw s LEU 108 Ca 0.07 2.27 -0.02 0.00 -1.03 0.00 0.00 54.13 55.42 1mkw s LEU 108 Cb -0.16 -4.58 0.21 0.00 0.03 0.00 0.00 46.19 41.69 1mkw s LEU 108 CO 0.10 -2.36 1.61 0.50 0.23 0.00 0.00 176.35 176.43 1mkw h LYS 109 N -0.60 0.64 -3.78 1.70 3.64 -1.55 -3.39 116.57 113.23 1mkw h LYS 109 Ca -0.47 -0.30 -0.14 0.00 -1.27 0.00 0.00 60.65 58.47 1mkw h LYS 109 Cb 1.28 -0.01 -0.19 0.00 -0.41 0.00 0.00 32.23 32.90 1mkw h LYS 109 CO 0.49 0.89 -0.57 -0.98 -2.27 0.00 0.00 179.45 177.00 1mkw s ARG 110 N -4.37 0.48 0.25 1.90 3.03 -1.26 -4.95 118.95 114.02 1mkw s ARG 110 Ca -0.08 -0.62 -0.30 0.00 2.03 0.00 0.00 55.73 56.76 1mkw s ARG 110 Cb 0.13 0.19 -0.11 0.00 -1.03 0.00 0.00 34.95 34.12 1mkw s ARG 110 CO 0.83 -0.11 1.54 -2.14 -1.13 0.00 0.00 175.30 174.29 1mkw s PRO 111 N -1.94 4.19 0.33 3.89 0.02 -1.26 -4.80 135.00 135.43 1mkw s PRO 111 Ca -0.11 2.44 -0.06 0.00 0.02 0.00 0.00 61.00 63.29 1mkw s PRO 111 Cb -0.05 -3.08 -0.05 0.00 0.02 0.00 0.00 34.50 31.33 1mkw s PRO 111 CO -0.02 -0.55 0.61 0.42 -0.33 0.00 0.00 177.00 177.13 1mkw s ILE 112 N 0.23 4.97 -0.43 2.83 -1.09 -0.74 -5.03 121.20 121.94 1mkw s ILE 112 Ca 0.63 0.17 -0.20 0.00 -2.23 0.00 0.00 60.65 59.02 1mkw s ILE 112 Cb -0.45 -3.74 0.02 0.00 -1.58 0.00 0.00 42.46 36.71 1mkw s ILE 112 CO 0.43 -0.40 0.60 -0.70 -1.23 0.00 0.00 174.94 173.63 1mkw s GLU 113 N -3.71 3.25 0.93 2.79 2.12 -1.26 -4.93 118.70 117.89 1mkw s GLU 113 Ca 0.46 -0.44 -0.11 0.00 0.36 0.00 0.00 54.97 55.23 1mkw s GLU 113 Cb -0.11 -3.95 0.15 0.00 0.26 0.00 0.00 34.13 30.49 1mkw s GLU 113 CO 0.31 -0.97 1.11 -0.51 -0.54 0.00 0.00 175.26 174.66 1mkw s LEU 114 N 2.67 2.44 0.00 2.70 1.43 -1.26 -4.92 118.68 121.74 1mkw s LEU 114 Ca 0.20 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 55.20 1mkw s LEU 114 Cb -0.15 -4.26 0.00 0.00 0.03 0.00 0.00 46.19 41.81 1mkw s LEU 114 CO 0.18 -3.03 0.00 -1.54 0.23 0.00 0.00 176.35 172.19 1mkw n SER 115 N -4.17 0.00 0.20 2.29 3.41 -0.29 -4.92 113.62 110.14 1mkw n SER 115 Ca 0.09 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.79 1mkw n SER 115 Cb 0.53 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.75 1mkw n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1mkw h ASP 116 N 0.00 0.00 -0.00 4.04 3.32 -1.99 -3.23 116.42 118.56 1mkw h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1mkw h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1mkw h ASP 116 CO 0.00 0.21 -0.37 -1.22 -1.72 0.00 0.00 179.24 176.14 1mkw n TYR 117 N -3.22 0.00 -4.12 4.55 4.01 -1.26 -4.83 117.16 112.29 1mkw n TYR 117 Ca 0.02 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.51 1mkw n TYR 117 Cb 0.53 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.40 1mkw n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1mkw s ILE 118 N -1.74 0.95 -0.29 -0.72 1.01 -1.22 -4.08 121.20 115.10 1mkw s ILE 118 Ca 0.07 -0.29 -0.21 0.00 0.00 0.00 0.00 60.65 60.22 1mkw s ILE 118 Cb 0.09 -0.95 0.16 0.00 0.01 0.00 0.00 42.46 41.77 1mkw s ILE 118 CO 0.36 0.34 1.17 -2.28 0.00 0.00 0.00 174.94 174.53 1mkw s HIS 119 N 1.34 -0.31 0.73 3.97 2.46 -0.72 -1.14 115.29 121.61 1mkw s HIS 119 Ca -0.02 0.69 -0.11 0.00 0.47 0.00 0.00 55.06 56.09 1mkw s HIS 119 Cb -0.14 0.32 0.03 0.00 -0.13 0.00 0.00 32.58 32.66 1mkw s HIS 119 CO -0.04 -0.15 1.07 -2.14 -2.47 0.00 0.00 174.74 171.01 1mkw s PRO 120 N 0.65 2.66 0.32 2.88 0.02 -1.26 -2.55 135.00 137.72 1mkw s PRO 120 Ca -0.01 0.94 0.07 0.00 0.02 0.00 0.00 61.00 62.01 1mkw s PRO 120 Cb -0.04 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.50 1mkw s PRO 120 CO -0.12 -1.29 0.40 0.54 -0.33 0.00 0.00 177.00 176.20 1mkw s VAL 121 N -3.04 4.05 0.33 3.83 0.11 -0.73 -4.88 120.40 120.08 1mkw s VAL 121 Ca 0.59 -1.12 -0.04 0.00 -2.93 0.00 0.00 61.98 58.48 1mkw s VAL 121 Cb -0.15 -3.39 -0.05 0.00 -1.53 0.00 0.00 36.38 31.27 1mkw s VAL 121 CO 0.55 -0.19 0.58 0.00 -3.33 0.00 0.00 175.10 172.72 1mkw s LEU 123 N -3.85 4.37 1.10 0.00 1.02 -1.26 -1.29 118.68 118.76 1mkw s LEU 123 Ca 0.44 0.44 -0.14 0.00 0.02 0.00 0.00 54.13 54.89 1mkw s LEU 123 Cb -0.10 -2.07 0.19 0.00 0.02 0.00 0.00 46.19 44.23 1mkw s LEU 123 CO 0.33 0.38 0.70 -0.81 0.02 0.00 0.00 176.35 176.98 1mkw n PRO 124 N 2.15 -1.71 -4.28 1.29 -0.04 -1.26 -4.92 135.00 126.24 1mkw n PRO 124 Ca -0.20 -0.46 -0.15 0.00 -0.04 0.00 0.00 63.50 62.65 1mkw n PRO 124 Cb 0.55 -2.04 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 1mkw n PRO 124 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1mkw s ASP 125 N -2.25 1.59 0.13 3.54 1.47 -1.26 -5.01 116.67 114.89 1mkw s ASP 125 Ca 0.64 -1.15 -0.21 0.00 1.18 0.00 0.00 52.55 53.01 1mkw s ASP 125 Cb -0.21 0.04 0.01 0.00 -0.34 0.00 0.00 42.92 42.42 1mkw s ASP 125 CO 0.65 -0.49 1.16 1.17 0.68 0.00 0.00 175.17 178.34 1mkw n LYS 126 N -0.30 -0.29 -0.06 2.11 4.81 -1.26 -1.38 118.16 121.79 1mkw n LYS 126 Ca -0.07 1.14 -0.15 0.00 -0.87 0.00 0.00 58.31 58.36 1mkw n LYS 126 Cb 0.63 -1.68 -0.06 0.00 0.02 0.00 0.00 35.03 33.93 1mkw n LYS 126 CO 0.00 0.00 0.00 -0.56 1.17 0.00 0.00 177.40 178.01 1mkw h GLN 127 N 0.00 0.64 -0.54 1.64 -0.00 -2.03 -2.26 115.11 112.56 1mkw h GLN 127 Ca 0.16 -0.43 0.00 0.00 -0.00 0.00 0.00 58.65 58.38 1mkw h GLN 127 Cb 0.35 0.06 0.00 0.00 -0.00 0.00 0.00 27.48 27.89 1mkw h GLN 127 CO -0.72 1.05 0.00 2.41 -0.00 0.00 0.00 178.83 181.57 1mkw n THR 128 N -4.21 0.00 0.00 1.86 -1.04 -0.48 -0.77 114.28 109.64 1mkw n THR 128 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1mkw n THR 128 Cb 0.56 -0.12 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 1mkw n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mkw n ALA 129 N 0.58 0.00 0.11 2.41 0.00 -0.85 -1.87 120.51 120.88 1mkw n ALA 129 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1mkw n ALA 129 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1mkw n ALA 129 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1mkw h LYS 129 N 0.00 0.32 0.18 0.00 1.57 -1.25 -3.40 116.57 113.99 1mkw h LYS 129 Ca 0.00 -0.55 -0.33 0.00 -1.87 0.00 0.00 60.65 57.91 1mkw h LYS 129 Cb 0.00 0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.53 1mkw h LYS 129 CO 0.00 1.25 -1.57 -0.07 -0.57 0.00 0.00 179.45 178.49 1mkw h LEU 129 N 0.09 0.60 -7.97 2.94 4.07 -1.63 -3.43 115.31 109.98 1mkw h LEU 129 Ca -0.18 -0.77 -0.58 0.00 0.08 0.00 0.00 57.88 56.43 1mkw h LEU 129 Cb 2.02 -0.20 -0.08 0.00 1.08 0.00 0.00 40.66 43.49 1mkw h LEU 129 CO 0.21 1.63 1.74 -0.76 -1.08 0.00 0.00 178.44 180.18 1mkw s LEU 130 N -7.27 3.58 0.02 1.67 1.43 -1.26 -4.87 118.68 111.98 1mkw s LEU 130 Ca -0.11 -1.94 0.01 0.00 -1.03 0.00 0.00 54.13 51.06 1mkw s LEU 130 Cb 0.06 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 1mkw s LEU 130 CO 0.88 -1.66 -0.05 -1.00 0.23 0.00 0.00 176.35 174.76 1mkw s HIS 131 N 5.85 0.39 0.26 0.29 3.76 -1.26 -4.98 115.29 119.61 1mkw s HIS 131 Ca 0.55 -0.43 -0.31 0.00 -0.15 0.00 0.00 55.06 54.72 1mkw s HIS 131 Cb 0.01 -0.25 -0.12 0.00 1.11 0.00 0.00 32.58 33.33 1mkw s HIS 131 CO 0.03 -0.12 1.63 0.00 -0.85 0.00 0.00 174.74 175.44 1mkw n ALA 132 N 1.81 2.61 0.00 -1.40 0.00 -1.26 -1.99 120.51 120.27 1mkw n ALA 132 Ca -0.21 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1mkw n ALA 132 Cb 0.56 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.53 1mkw n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mkw n GLY 133 N 2.74 2.77 3.75 0.00 0.00 0.62 -4.94 105.19 110.12 1mkw n GLY 133 Ca 0.11 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1mkw n GLY 133 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mkw s PHE 134 N -2.66 3.21 -0.11 1.61 0.40 -0.84 -4.63 117.98 114.95 1mkw s PHE 134 Ca 0.00 1.25 -0.17 0.00 -0.60 0.00 0.00 56.93 57.41 1mkw s PHE 134 Cb 0.00 -3.63 -0.04 0.00 0.51 0.00 0.00 43.02 39.86 1mkw s PHE 134 CO 0.00 -1.91 0.45 0.15 0.70 0.00 0.00 175.22 174.60 1mkw s LYS 135 N -0.51 4.29 0.39 0.44 1.02 -1.26 -1.28 119.74 122.82 1mkw s LYS 135 Ca 0.55 0.41 0.04 0.00 0.02 0.00 0.00 55.97 56.99 1mkw s LYS 135 Cb -0.38 -3.41 0.04 0.00 -0.52 0.00 0.00 37.83 33.56 1mkw s LYS 135 CO 0.42 0.23 0.33 0.41 -0.92 0.00 0.00 175.35 175.81 1mkw n GLY 136 N 3.12 2.68 2.84 -3.33 0.00 -0.38 -4.83 105.19 105.30 1mkw n GLY 136 Ca -0.08 -2.25 -0.15 0.00 0.00 0.00 0.00 46.02 43.54 1mkw n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1mkw s ARG 137 N -3.61 0.19 0.01 1.61 3.52 -0.64 -0.64 118.95 119.38 1mkw s ARG 137 Ca 0.25 0.04 0.06 0.00 -0.13 0.00 0.00 55.73 55.95 1mkw s ARG 137 Cb -0.02 -0.32 -0.03 0.00 -1.56 0.00 0.00 34.95 33.02 1mkw s ARG 137 CO 0.16 -0.07 -0.16 0.08 -0.81 0.00 0.00 175.30 174.50 1mkw s VAL 138 N 0.62 2.92 0.01 7.11 1.01 0.53 -1.60 120.40 131.01 1mkw s VAL 138 Ca -0.06 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.93 1mkw s VAL 138 Cb -0.09 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 1mkw s VAL 138 CO -0.01 0.44 -0.03 0.42 0.00 0.00 0.00 175.10 175.91 1mkw s THR 139 N -0.86 0.20 0.05 3.92 -4.23 -1.21 -1.86 115.64 111.65 1mkw s THR 139 Ca 0.14 -0.52 -0.26 0.00 -1.18 0.00 0.00 61.69 59.87 1mkw s THR 139 Cb -0.11 -0.25 0.09 0.00 1.34 0.00 0.00 72.50 73.57 1mkw s THR 139 CO 0.04 -0.21 1.20 -0.83 -0.54 0.00 0.00 174.62 174.28 1mkw s GLY 140 N -0.76 -0.07 -0.08 3.99 0.00 -1.00 -4.45 107.32 104.95 1mkw s GLY 140 Ca -0.06 -0.03 0.11 0.00 0.00 0.00 0.00 44.72 44.74 1mkw s GLY 140 CO -0.00 3.97 1.07 0.79 0.00 0.00 0.00 173.10 178.93 1mkw n TRP 141 N -0.79 0.00 -1.19 1.90 8.01 -1.26 -2.29 117.44 121.82 1mkw n TRP 141 Ca 0.00 -0.64 -0.08 0.00 -1.31 0.00 0.00 57.50 55.48 1mkw n TRP 141 Cb 0.59 -0.11 0.06 0.00 -2.01 0.00 0.00 31.31 29.84 1mkw n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1mkw n GLY 142 N -0.90 -1.38 3.77 6.99 0.00 -1.25 -4.66 105.19 107.76 1mkw n GLY 142 Ca 0.10 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 1mkw n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mkw s ASN 143 N -2.34 6.23 0.00 1.61 0.02 0.81 -2.97 114.94 118.31 1mkw s ASN 143 Ca 0.21 2.85 0.28 0.00 -1.02 0.00 0.00 52.86 55.17 1mkw s ASN 143 Cb -0.01 -2.65 1.07 0.00 0.02 0.00 0.00 41.25 39.69 1mkw s ASN 143 CO 0.15 -0.92 1.81 0.54 0.02 0.00 0.00 177.10 178.69 1mkw n ARG 144 N 0.19 0.03 -3.71 -0.60 1.74 -1.24 -1.21 116.66 111.87 1mkw n ARG 144 Ca 0.03 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.97 1mkw n ARG 144 Cb 0.42 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.26 1mkw n ARG 144 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1mkw s ARG 145 N -2.97 0.59 -0.48 5.56 3.52 -1.26 -4.19 118.95 119.72 1mkw s ARG 145 Ca 0.14 0.51 -0.32 0.00 -0.13 0.00 0.00 55.73 55.93 1mkw s ARG 145 Cb 0.19 0.28 -0.12 0.00 -1.56 0.00 0.00 34.95 33.74 1mkw s ARG 145 CO 0.57 -0.10 2.33 -1.91 -0.81 0.00 0.00 175.30 175.38 1mkw n GLU 146 N 2.51 0.95 -1.87 5.12 2.13 -1.26 -4.86 120.64 123.35 1mkw n GLU 146 Ca -0.15 0.19 -0.37 0.00 0.66 0.00 0.00 57.16 57.50 1mkw n GLU 146 Cb 0.57 -2.59 -0.02 0.00 0.27 0.00 0.00 31.44 29.67 1mkw n GLU 146 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1mkw n THR 147 N 7.48 4.76 0.33 6.31 -2.24 -1.26 -4.76 114.28 124.89 1mkw n THR 147 Ca 0.44 -4.01 0.03 0.00 -2.27 0.00 0.00 64.05 58.23 1mkw n THR 147 Cb 0.29 -1.93 0.16 0.00 -2.10 0.00 0.00 70.33 66.75 1mkw n THR 147 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1mkw n TRP 148 N 1.45 0.00 -0.09 4.78 -0.00 -1.26 -4.64 117.44 117.67 1mkw n TRP 148 Ca 0.59 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.94 1mkw n TRP 148 Cb 0.33 -0.12 -0.07 0.00 -0.00 0.00 0.00 31.31 31.45 1mkw n TRP 148 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 1mkw n THR 149 N -1.12 1.48 -4.36 5.87 -2.24 -1.26 -5.17 114.28 107.49 1mkw n THR 149 Ca 0.04 0.05 -0.37 0.00 -2.27 0.00 0.00 64.05 61.50 1mkw n THR 149 Cb 0.03 -2.19 -0.07 0.00 -2.10 0.00 0.00 70.33 66.00 1mkw n THR 149 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1mkw n SER 149 N -4.49 -1.31 0.26 3.42 7.64 -1.26 -4.81 113.62 113.07 1mkw n SER 149 Ca -0.23 -1.18 0.15 0.00 1.01 0.00 0.00 58.87 58.62 1mkw n SER 149 Cb 0.52 -2.01 0.85 0.00 -1.01 0.00 0.00 64.21 62.56 1mkw n SER 149 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1mkw h VAL 149 N -1.34 0.58 -3.68 0.44 -1.51 -1.97 -3.43 116.25 105.34 1mkw h VAL 149 Ca -0.62 0.00 -0.52 0.00 -1.23 0.00 0.00 66.70 64.33 1mkw h VAL 149 Cb 1.39 0.95 0.04 0.00 -2.13 0.00 0.00 31.29 31.54 1mkw h VAL 149 CO 0.80 0.00 0.61 0.00 -1.23 0.00 0.00 177.57 177.75 1mkw s ALA 149 N -4.71 3.49 0.00 5.19 0.00 -1.26 -4.69 121.76 119.79 1mkw s ALA 149 Ca -0.05 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1mkw s ALA 149 Cb 0.16 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1mkw s ALA 149 CO 0.57 -0.51 0.00 -1.91 0.00 0.00 0.00 175.76 173.91 1mkw n GLU 149 N 1.56 0.00 -1.39 0.00 2.13 -1.26 -4.88 120.64 116.80 1mkw n GLU 149 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1mkw n GLU 149 Cb 0.43 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.14 1mkw n GLU 149 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1mkw n VAL 150 N 0.00 0.00 -3.65 6.31 0.24 -1.26 -4.86 118.33 115.10 1mkw n VAL 150 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.01 1mkw n VAL 150 Cb 0.00 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.24 1mkw n VAL 150 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1mkw s GLN 151 N -2.62 1.14 0.03 7.34 -1.52 -1.26 -4.12 119.66 118.65 1mkw s GLN 151 Ca 0.00 -1.89 -0.30 0.00 -1.95 0.00 0.00 55.36 51.22 1mkw s GLN 151 Cb 0.00 -2.11 -0.09 0.00 -0.22 0.00 0.00 33.01 30.60 1mkw s GLN 151 CO 0.00 -1.18 1.94 -2.14 -0.25 0.00 0.00 175.29 173.66 1mkw s PRO 152 N 0.47 4.14 0.00 2.91 0.02 -1.26 -4.90 135.00 136.38 1mkw s PRO 152 Ca 0.18 2.58 0.27 0.00 0.02 0.00 0.00 61.00 64.05 1mkw s PRO 152 Cb -0.23 -4.14 0.76 0.00 0.02 0.00 0.00 34.50 30.92 1mkw s PRO 152 CO -0.01 -0.95 1.58 -1.13 -0.33 0.00 0.00 177.00 176.16 1mkw n SER 153 N 7.48 1.61 -3.83 2.53 3.41 -1.26 -4.79 113.62 118.77 1mkw n SER 153 Ca 0.20 -1.39 -0.12 0.00 -0.26 0.00 0.00 58.87 57.30 1mkw n SER 153 Cb 0.41 0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.34 1mkw n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1mkw s VAL 154 N -2.18 0.06 0.38 -3.33 1.01 -1.26 -2.69 120.40 112.38 1mkw s VAL 154 Ca 0.31 -0.46 -0.28 0.00 0.00 0.00 0.00 61.98 61.55 1mkw s VAL 154 Cb 0.20 -0.43 -0.11 0.00 0.00 0.00 0.00 36.38 36.04 1mkw s VAL 154 CO 0.40 -0.25 1.47 -0.11 0.00 0.00 0.00 175.10 176.61 1mkw n LEU 155 N 1.84 4.69 -4.74 3.92 7.94 -1.26 -4.79 117.00 124.60 1mkw n LEU 155 Ca -0.20 1.23 -0.36 0.00 -1.11 0.00 0.00 56.01 55.57 1mkw n LEU 155 Cb 0.56 -1.61 -0.08 0.00 0.53 0.00 0.00 43.42 42.82 1mkw n LEU 155 CO 0.21 0.11 -0.24 -1.10 -1.11 0.00 0.00 177.39 175.25 1mkw s GLN 156 N -2.09 3.41 0.10 1.96 -1.52 -0.97 0.16 119.66 120.71 1mkw s GLN 156 Ca 0.53 -0.29 0.08 0.00 -1.95 0.00 0.00 55.36 53.73 1mkw s GLN 156 Cb -0.48 -3.05 -0.04 0.00 -0.22 0.00 0.00 33.01 29.22 1mkw s GLN 156 CO 0.64 0.62 -0.15 0.08 -0.25 0.00 0.00 175.29 176.23 1mkw s VAL 157 N -0.61 3.06 -0.21 1.09 1.01 -0.60 -2.38 120.40 121.76 1mkw s VAL 157 Ca 0.11 -1.35 -0.12 0.00 0.00 0.00 0.00 61.98 60.62 1mkw s VAL 157 Cb -0.12 -2.39 0.07 0.00 0.00 0.00 0.00 36.38 33.93 1mkw s VAL 157 CO 0.02 0.15 0.51 0.54 0.00 0.00 0.00 175.10 176.32 1mkw s VAL 158 N -1.13 -0.02 -0.19 2.92 0.11 -0.78 -1.74 120.40 119.57 1mkw s VAL 158 Ca 0.19 0.06 -0.12 0.00 -2.93 0.00 0.00 61.98 59.17 1mkw s VAL 158 Cb -0.11 -0.75 -0.05 0.00 -1.53 0.00 0.00 36.38 33.94 1mkw s VAL 158 CO 0.11 0.02 0.24 0.20 -3.33 0.00 0.00 175.10 172.33 1mkw s ASN 159 N 1.41 6.31 -0.01 3.54 0.01 -1.26 -0.35 114.94 124.59 1mkw s ASN 159 Ca -0.09 0.35 0.04 0.00 -0.71 0.00 0.00 52.86 52.45 1mkw s ASN 159 Cb -0.07 -2.15 -0.01 0.00 0.41 0.00 0.00 41.25 39.43 1mkw s ASN 159 CO -0.14 0.09 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.65 1mkw s LEU 160 N 0.68 2.02 0.56 0.60 1.43 0.18 -4.92 118.68 119.24 1mkw s LEU 160 Ca 0.13 -0.22 -0.15 0.00 -1.03 0.00 0.00 54.13 52.86 1mkw s LEU 160 Cb -0.13 -0.63 -0.06 0.00 0.03 0.00 0.00 46.19 45.41 1mkw s LEU 160 CO 0.03 0.15 1.01 -2.16 0.23 0.00 0.00 176.35 175.61 1mkw s PRO 161 N -0.28 3.73 0.20 1.29 0.04 -1.26 -1.25 135.00 137.48 1mkw s PRO 161 Ca 0.05 0.92 -0.28 0.00 0.04 0.00 0.00 61.00 61.72 1mkw s PRO 161 Cb -0.05 -2.10 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 1mkw s PRO 161 CO -0.00 -0.46 0.88 -0.51 0.04 0.00 0.00 177.00 176.94 1mkw s LEU 162 N -4.51 4.62 0.00 -3.56 1.43 -0.41 -0.11 118.68 116.14 1mkw s LEU 162 Ca 0.58 1.82 0.03 0.00 -1.03 0.00 0.00 54.13 55.53 1mkw s LEU 162 Cb -0.11 -3.48 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 1mkw s LEU 162 CO 0.40 0.16 -0.05 -0.69 0.23 0.00 0.00 176.35 176.40 1mkw s VAL 163 N -1.08 3.75 0.30 -1.59 1.01 -1.06 -0.28 120.40 121.45 1mkw s VAL 163 Ca 0.39 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 1mkw s VAL 163 Cb -0.25 -2.64 -0.11 0.00 0.00 0.00 0.00 36.38 33.39 1mkw s VAL 163 CO 0.30 0.39 1.48 -1.83 0.00 0.00 0.00 175.10 175.43 1mkw s GLU 164 N -1.46 4.20 0.26 2.72 1.03 -1.26 -4.65 118.70 119.54 1mkw s GLU 164 Ca 0.18 2.44 -0.10 0.00 0.03 0.00 0.00 54.97 57.52 1mkw s GLU 164 Cb -0.11 -3.04 0.40 0.00 -0.80 0.00 0.00 34.13 30.57 1mkw s GLU 164 CO 0.08 -0.48 1.57 -0.09 -1.33 0.00 0.00 175.26 175.01 1mkw h ARG 165 N 4.30 -0.00 -0.56 -4.83 2.43 -1.97 -1.03 114.38 112.73 1mkw h ARG 165 Ca -0.48 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.67 1mkw h ARG 165 Cb 1.22 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 1mkw h ARG 165 CO 0.74 -0.00 0.27 -1.35 -1.51 0.00 0.00 179.97 178.12 1mkw h PRO 166 N -0.00 0.78 0.01 0.20 0.11 -1.99 -1.74 132.00 129.36 1mkw h PRO 166 Ca 0.44 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 66.45 1mkw h PRO 166 Cb 0.67 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1mkw h PRO 166 CO -0.95 0.60 -0.01 0.28 -0.21 0.00 0.00 178.00 177.71 1mkw h VAL 167 N 0.78 1.18 -0.64 3.15 2.07 -1.60 -0.81 116.25 120.37 1mkw h VAL 167 Ca 0.20 -0.59 0.12 0.00 0.82 0.00 0.00 66.70 67.25 1mkw h VAL 167 Cb 0.07 1.58 -0.12 0.00 -1.52 0.00 0.00 31.29 31.30 1mkw h VAL 167 CO -0.03 0.15 -0.22 0.00 0.02 0.00 0.00 177.57 177.49 1mkw h LYS 169 N -0.06 0.67 0.00 0.00 1.57 -1.30 -2.93 116.57 114.52 1mkw h LYS 169 Ca 0.29 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1mkw h LYS 169 Cb 0.51 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1mkw h LYS 169 CO -0.69 0.73 0.00 0.00 -0.57 0.00 0.00 179.45 178.92 1mkw n ALA 170 N -2.38 2.21 1.34 3.86 0.00 -0.32 -2.74 120.51 122.49 1mkw n ALA 170 Ca -0.01 -0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.46 1mkw n ALA 170 Cb 0.25 -1.38 0.55 0.00 0.00 0.00 0.00 19.45 18.87 1mkw n ALA 170 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1mkw n SER 171 N -1.27 0.55 -3.65 0.00 3.41 -0.31 -4.92 113.62 107.43 1mkw n SER 171 Ca 0.12 -0.57 -0.11 0.00 -0.26 0.00 0.00 58.87 58.04 1mkw n SER 171 Cb 0.18 -0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.04 1mkw n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1mkw s THR 172 N -2.52 0.07 -2.25 6.66 -1.32 -1.11 -4.85 115.64 110.32 1mkw s THR 172 Ca 0.27 -0.58 0.20 0.00 -1.21 0.00 0.00 61.69 60.36 1mkw s THR 172 Cb 0.20 -1.12 0.44 0.00 -1.51 0.00 0.00 72.50 70.51 1mkw s THR 172 CO 0.49 -0.32 1.52 -2.11 -2.21 0.00 0.00 174.62 171.99 1mkw n ARG 173 N -0.02 1.73 -3.37 7.08 1.85 -1.26 -4.89 116.66 117.78 1mkw n ARG 173 Ca -0.17 -1.11 -0.33 0.00 -1.00 0.00 0.00 57.85 55.24 1mkw n ARG 173 Cb 0.63 -1.38 -0.06 0.00 -1.05 0.00 0.00 32.46 30.60 1mkw n ARG 173 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1mkw s ILE 174 N -1.77 4.88 -0.10 8.89 1.01 -1.26 -5.06 121.20 127.79 1mkw s ILE 174 Ca 0.31 0.65 -0.26 0.00 0.00 0.00 0.00 60.65 61.35 1mkw s ILE 174 Cb 0.17 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 1mkw s ILE 174 CO 0.25 0.04 0.84 -0.60 0.00 0.00 0.00 174.94 175.47 1mkw s ARG 175 N -2.50 4.40 -0.16 2.79 3.52 -1.26 -4.97 118.95 120.77 1mkw s ARG 175 Ca 0.44 1.08 -0.02 0.00 -0.13 0.00 0.00 55.73 57.11 1mkw s ARG 175 Cb -0.13 -3.51 -0.01 0.00 -1.56 0.00 0.00 34.95 29.74 1mkw s ARG 175 CO 0.20 -0.16 -0.10 0.42 -0.81 0.00 0.00 175.30 174.85 1mkw s ILE 176 N 1.53 3.24 0.33 4.11 1.09 -1.26 -4.82 121.20 125.42 1mkw s ILE 176 Ca 0.41 -0.58 0.07 0.00 -1.10 0.00 0.00 60.65 59.45 1mkw s ILE 176 Cb -0.18 -2.40 -0.01 0.00 -1.06 0.00 0.00 42.46 38.81 1mkw s ILE 176 CO 0.17 0.50 0.45 0.42 -0.10 0.00 0.00 174.94 176.38 1mkw s THR 177 N 0.62 4.03 -1.67 2.92 -4.23 -1.26 -4.95 115.64 111.10 1mkw s THR 177 Ca -0.06 -1.04 0.04 0.00 -1.18 0.00 0.00 61.69 59.45 1mkw s THR 177 Cb -0.15 -3.39 0.08 0.00 1.34 0.00 0.00 72.50 70.38 1mkw s THR 177 CO 0.03 -0.16 0.84 0.47 -0.54 0.00 0.00 174.62 175.25 1mkw n ASP 178 N -1.61 0.00 -0.27 3.99 8.00 -1.26 -1.27 116.55 124.13 1mkw n ASP 178 Ca -0.00 0.09 0.13 0.00 0.71 0.00 0.00 54.79 55.71 1mkw n ASP 178 Cb 0.58 -0.17 0.62 0.00 -0.02 0.00 0.00 41.12 42.14 1mkw n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1mkw n ASN 179 N -1.17 0.84 -3.99 -2.24 3.02 -1.26 -4.88 115.26 105.58 1mkw n ASN 179 Ca 0.02 -1.38 -0.09 0.00 -0.03 0.00 0.00 54.58 53.10 1mkw n ASN 179 Cb 0.02 -0.02 -0.11 0.00 -0.61 0.00 0.00 39.78 39.07 1mkw n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mkw s MET 180 N -1.96 0.40 0.17 3.52 0.23 -0.40 -2.02 119.30 119.25 1mkw s MET 180 Ca 0.38 -0.72 0.03 0.00 -1.03 0.00 0.00 55.69 54.35 1mkw s MET 180 Cb 0.19 0.15 -0.05 0.00 -1.53 0.00 0.00 34.83 33.59 1mkw s MET 180 CO 0.31 -0.08 -0.02 -0.59 -2.03 0.00 0.00 175.02 172.61 1mkw s PHE 181 N -2.00 1.26 0.19 3.16 -0.71 -0.76 -4.81 117.98 114.32 1mkw s PHE 181 Ca -0.11 -0.95 0.09 0.00 -1.04 0.00 0.00 56.93 54.92 1mkw s PHE 181 Cb -0.06 -0.71 -0.04 0.00 -1.21 0.00 0.00 43.02 41.00 1mkw s PHE 181 CO -0.03 -0.13 -0.19 0.00 -1.34 0.00 0.00 175.22 173.53 1mkw s ALA 183 N -2.15 -0.83 0.00 0.00 0.00 -0.54 -2.56 121.76 115.68 1mkw s ALA 183 Ca 0.19 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1mkw s ALA 183 Cb -0.05 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.29 1mkw s ALA 183 CO 0.08 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1mkw n GLY 184 N 0.84 1.24 3.83 0.00 0.00 0.85 -2.36 105.19 109.59 1mkw n GLY 184 Ca -0.20 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 43.65 1mkw n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mkw s TYR 184 N -1.33 3.62 0.46 1.61 2.02 -1.26 -4.51 117.35 117.95 1mkw s TYR 184 Ca 0.00 1.21 -0.07 0.00 -0.37 0.00 0.00 57.07 57.84 1mkw s TYR 184 Cb 0.00 -2.49 -0.04 0.00 -0.40 0.00 0.00 41.96 39.03 1mkw s TYR 184 CO 0.00 0.37 0.78 0.15 -1.57 0.00 0.00 175.55 175.29 1mkw s LYS 185 N -2.01 3.61 0.22 -0.62 1.02 -1.26 -4.79 119.74 115.91 1mkw s LYS 185 Ca 0.41 0.29 -0.09 0.00 0.02 0.00 0.00 55.97 56.60 1mkw s LYS 185 Cb -0.16 -2.38 0.32 0.00 -0.52 0.00 0.00 37.83 35.09 1mkw s LYS 185 CO 0.20 -0.16 1.73 -1.35 -0.92 0.00 0.00 175.35 174.85 1mkw h PRO 186 N 0.54 0.37 -0.52 -1.68 0.11 -1.97 -1.64 132.00 127.21 1mkw h PRO 186 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1mkw h PRO 186 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1mkw h PRO 186 CO 0.62 0.25 0.00 0.41 -0.21 0.00 0.00 178.00 179.07 1mkw n GLY 186 N -1.31 0.49 0.00 -0.55 0.00 -1.26 -3.16 105.19 99.41 1mkw n GLY 186 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 1mkw n GLY 186 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mkw n GLU 186 N -0.12 1.62 0.00 1.61 1.02 -0.62 -5.01 120.64 119.14 1mkw n GLU 186 Ca 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1mkw n GLU 186 Cb 0.13 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1mkw n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mkw n GLY 186 N 1.40 0.93 3.78 0.62 0.00 -1.19 -4.95 105.19 105.78 1mkw n GLY 186 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1mkw n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mkw s LYS 186 N 0.00 2.63 0.40 1.61 1.02 -1.26 -5.06 119.74 119.08 1mkw s LYS 186 Ca 0.00 1.24 0.04 0.00 0.02 0.00 0.00 55.97 57.27 1mkw s LYS 186 Cb 0.00 -1.94 -0.02 0.00 -0.52 0.00 0.00 37.83 35.35 1mkw s LYS 186 CO 0.00 -1.36 0.15 1.03 -0.92 0.00 0.00 175.35 174.25 1mkw s ARG 187 N -4.53 1.92 0.00 1.68 0.52 -1.26 -4.74 118.95 112.55 1mkw s ARG 187 Ca 0.63 -2.17 0.00 0.00 -0.52 0.00 0.00 55.73 53.67 1mkw s ARG 187 Cb -0.18 -0.46 0.00 0.00 0.52 0.00 0.00 34.95 34.83 1mkw s ARG 187 CO 0.48 -0.52 0.00 0.41 0.02 0.00 0.00 175.30 175.70 1mkw n GLY 188 N -0.88 4.72 3.77 -3.53 0.00 -1.26 -4.90 105.19 103.10 1mkw n GLY 188 Ca -0.04 -0.75 -0.02 0.00 0.00 0.00 0.00 46.02 45.20 1mkw n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mkw s ASP 189 N 0.00 -0.11 0.19 1.61 2.15 -0.69 -4.71 116.67 115.11 1mkw s ASP 189 Ca 0.00 -0.42 0.05 0.00 0.43 0.00 0.00 52.55 52.60 1mkw s ASP 189 Cb 0.00 0.43 -0.03 0.00 -0.30 0.00 0.00 42.92 43.02 1mkw s ASP 189 CO 0.00 -0.81 0.25 0.00 -0.17 0.00 0.00 175.17 174.43 1mkw s ALA 190 N -2.87 3.79 0.00 3.66 0.00 -1.26 -1.04 121.76 124.04 1mkw s ALA 190 Ca 0.15 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1mkw s ALA 190 Cb -0.01 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1mkw s ALA 190 CO 0.02 0.41 0.00 0.00 0.00 0.00 0.00 175.76 176.19 1mkw s GLU 192 N 1.47 4.17 0.00 0.00 1.03 -1.26 -2.43 118.70 121.68 1mkw s GLU 192 Ca 0.00 1.96 0.00 0.00 0.03 0.00 0.00 54.97 56.96 1mkw s GLU 192 Cb 0.00 -3.91 0.00 0.00 -0.80 0.00 0.00 34.13 29.42 1mkw s GLU 192 CO 0.00 -0.82 0.00 0.41 -1.33 0.00 0.00 175.26 173.52 1mkw n GLY 193 N 3.97 0.80 0.01 -3.83 0.00 -1.26 -0.13 105.19 104.75 1mkw n GLY 193 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 1mkw n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mkw n ASP 194 N 0.00 0.68 -4.77 1.61 8.00 -1.02 -3.79 116.55 117.27 1mkw n ASP 194 Ca 0.00 -0.46 -0.35 0.00 0.71 0.00 0.00 54.79 54.69 1mkw n ASP 194 Cb 0.00 0.76 0.02 0.00 -0.02 0.00 0.00 41.12 41.89 1mkw n ASP 194 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1mkw s SER 195 N -3.42 5.42 0.00 -2.24 1.04 -1.26 -2.07 113.70 111.18 1mkw s SER 195 Ca 0.06 2.23 0.00 0.00 0.48 0.00 0.00 55.95 58.72 1mkw s SER 195 Cb 0.16 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1mkw s SER 195 CO 0.80 -1.43 0.00 0.61 0.98 0.00 0.00 173.24 174.21 1mkw n GLY 196 N 0.19 3.22 3.78 7.32 0.00 0.64 0.55 105.19 120.90 1mkw n GLY 196 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1mkw n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mkw s GLY 197 N -1.94 1.59 0.28 -0.02 0.00 -0.88 -3.92 107.32 102.44 1mkw s GLY 197 Ca 0.00 -0.60 -0.15 0.00 0.00 0.00 0.00 44.72 43.97 1mkw s GLY 197 CO 0.00 -0.00 0.69 2.56 0.00 0.00 0.00 173.10 176.35 1mkw s PRO 198 N -5.33 4.01 -0.29 2.90 0.04 -1.26 -1.23 135.00 133.84 1mkw s PRO 198 Ca 0.65 0.63 0.02 0.00 0.04 0.00 0.00 61.00 62.34 1mkw s PRO 198 Cb -0.14 -2.56 0.07 0.00 0.04 0.00 0.00 34.50 31.91 1mkw s PRO 198 CO 0.53 0.24 -0.04 0.12 0.04 0.00 0.00 177.00 177.89 1mkw s PHE 199 N -1.86 3.40 0.27 0.56 2.19 -0.58 -3.35 117.98 118.62 1mkw s PHE 199 Ca 0.50 -2.42 0.11 0.00 0.33 0.00 0.00 56.93 55.45 1mkw s PHE 199 Cb -0.12 -2.26 -0.05 0.00 -1.31 0.00 0.00 43.02 39.29 1mkw s PHE 199 CO 0.19 -0.89 -0.10 0.14 1.83 0.00 0.00 175.22 176.39 1mkw s VAL 200 N 1.08 2.98 -0.01 3.12 -7.23 -0.62 -1.33 120.40 118.38 1mkw s VAL 200 Ca -0.03 -2.14 0.01 0.00 -1.81 0.00 0.00 61.98 58.01 1mkw s VAL 200 Cb -0.20 -2.58 0.01 0.00 0.56 0.00 0.00 36.38 34.17 1mkw s VAL 200 CO -0.05 -0.38 -0.04 -0.04 -0.31 0.00 0.00 175.10 174.29 1mkw s MET 201 N -3.56 0.43 -0.07 4.82 -1.94 -0.39 -1.62 119.30 116.97 1mkw s MET 201 Ca 0.30 -0.11 -0.25 0.00 -1.71 0.00 0.00 55.69 53.92 1mkw s MET 201 Cb -0.06 -0.46 -0.03 0.00 2.01 0.00 0.00 34.83 36.29 1mkw s MET 201 CO 0.17 0.03 0.79 0.21 -0.01 0.00 0.00 175.02 176.21 1mkw s LYS 202 N 0.27 4.44 -0.19 2.03 2.20 -1.26 -1.41 119.74 125.82 1mkw s LYS 202 Ca -0.03 1.04 -0.27 0.00 -0.36 0.00 0.00 55.97 56.36 1mkw s LYS 202 Cb -0.06 -3.47 -0.00 0.00 -1.51 0.00 0.00 37.83 32.78 1mkw s LYS 202 CO -0.00 -0.04 0.92 0.45 -0.36 0.00 0.00 175.35 176.32 1mkw s SER 203 N 0.92 7.01 0.31 1.43 0.15 0.61 -4.95 113.70 119.19 1mkw s SER 203 Ca 0.41 1.26 0.26 0.00 0.70 0.00 0.00 55.95 58.58 1mkw s SER 203 Cb -0.18 -2.49 0.94 0.00 -1.71 0.00 0.00 66.02 62.57 1mkw s SER 203 CO 0.20 -0.51 1.77 1.55 1.20 0.00 0.00 173.24 177.44 1mkw h PRO 204 N 7.41 0.00 -0.04 5.44 0.13 -1.97 0.59 132.00 143.56 1mkw h PRO 204 Ca -0.25 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.72 1mkw h PRO 204 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1mkw h PRO 204 CO 0.89 0.00 -0.67 1.88 -0.23 0.00 0.00 178.00 179.86 1mkw h TYR 204 N 0.00 0.26 0.00 1.56 0.05 -1.97 -3.38 116.97 113.49 1mkw h TYR 204 Ca 0.00 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.67 1mkw h TYR 204 Cb 0.56 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.26 1mkw h TYR 204 CO 0.00 0.81 0.00 0.27 -1.05 0.00 0.00 178.16 178.19 1mkw n ASN 204 N -3.81 0.33 -0.46 3.88 0.23 -1.18 -5.01 115.26 109.25 1mkw n ASN 204 Ca -0.02 -0.90 -0.05 0.00 -0.53 0.00 0.00 54.58 53.07 1mkw n ASN 204 Cb 0.67 0.05 -0.02 0.00 -2.08 0.00 0.00 39.78 38.40 1mkw n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1mkw n ASN 205 N -0.05 -3.13 -4.62 0.53 5.15 0.19 -5.03 115.26 108.30 1mkw n ASN 205 Ca 0.00 0.08 -0.27 0.00 -0.60 0.00 0.00 54.58 53.79 1mkw n ASN 205 Cb 0.14 -1.57 -0.08 0.00 -0.53 0.00 0.00 39.78 37.73 1mkw n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1mkw s ARG 206 N -3.06 2.26 -0.15 1.20 0.52 -1.23 -4.89 118.95 113.60 1mkw s ARG 206 Ca 0.00 -1.16 -0.12 0.00 -0.52 0.00 0.00 55.73 53.93 1mkw s ARG 206 Cb 0.00 -2.28 -0.05 0.00 0.52 0.00 0.00 34.95 33.14 1mkw s ARG 206 CO 0.00 0.45 0.24 -1.58 0.02 0.00 0.00 175.30 174.43 1mkw s TRP 207 N -1.67 3.49 -0.06 -0.53 0.52 -1.26 -0.28 118.94 119.14 1mkw s TRP 207 Ca 0.26 0.56 0.05 0.00 0.02 0.00 0.00 56.10 56.99 1mkw s TRP 207 Cb -0.09 -2.23 -0.01 0.00 -1.15 0.00 0.00 33.47 29.99 1mkw s TRP 207 CO 0.17 0.36 -0.23 0.71 0.02 0.00 0.00 176.95 177.98 1mkw s TYR 208 N 0.08 2.32 -0.48 -1.98 1.51 -0.50 -2.20 117.35 116.10 1mkw s TYR 208 Ca 0.15 -0.73 -0.25 0.00 -1.01 0.00 0.00 57.07 55.23 1mkw s TYR 208 Cb -0.13 -1.53 0.03 0.00 -0.11 0.00 0.00 41.96 40.22 1mkw s TYR 208 CO 0.03 -0.24 0.93 -1.14 -1.11 0.00 0.00 175.55 174.02 1mkw s GLN 209 N -0.05 3.49 0.08 -0.62 0.74 -0.41 -1.26 119.66 121.63 1mkw s GLN 209 Ca -0.06 0.08 0.20 0.00 0.05 0.00 0.00 55.36 55.63 1mkw s GLN 209 Cb -0.14 -3.95 -0.14 0.00 1.10 0.00 0.00 33.01 29.88 1mkw s GLN 209 CO 0.04 -1.28 0.78 -1.33 -0.55 0.00 0.00 175.29 172.96 1mkw n MET 210 N 7.23 0.63 -3.97 1.67 2.81 -0.44 -4.33 117.12 120.72 1mkw n MET 210 Ca 0.05 0.07 -0.09 0.00 -1.81 0.00 0.00 57.70 55.92 1mkw n MET 210 Cb 0.48 -1.73 -0.04 0.00 -0.71 0.00 0.00 33.22 31.23 1mkw n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1mkw s GLY 211 N -4.61 0.55 0.01 3.03 0.00 -0.81 -2.02 107.32 103.46 1mkw s GLY 211 Ca -0.04 -0.86 0.04 0.00 0.00 0.00 0.00 44.72 43.87 1mkw s GLY 211 CO 0.83 -0.55 -0.14 -0.42 0.00 0.00 0.00 173.10 172.81 1mkw s ILE 212 N -3.67 1.10 -0.03 0.90 1.01 -0.75 -1.53 121.20 118.24 1mkw s ILE 212 Ca 0.21 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 59.82 1mkw s ILE 212 Cb -0.02 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 1mkw s ILE 212 CO 0.11 0.20 1.32 -0.69 0.00 0.00 0.00 174.94 175.87 1mkw s VAL 213 N -0.51 3.96 0.02 2.92 1.01 -0.36 -0.51 120.40 126.93 1mkw s VAL 213 Ca 0.04 1.31 -0.00 0.00 0.00 0.00 0.00 61.98 63.33 1mkw s VAL 213 Cb -0.06 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 1mkw s VAL 213 CO 0.00 -0.01 -0.01 -0.24 0.00 0.00 0.00 175.10 174.84 1mkw n SER 214 N 5.40 0.34 -2.98 3.32 2.88 -0.89 -0.26 113.62 121.43 1mkw n SER 214 Ca 0.12 0.04 -0.09 0.00 -1.33 0.00 0.00 58.87 57.62 1mkw n SER 214 Cb 0.45 -0.13 0.02 0.00 -0.75 0.00 0.00 64.21 63.79 1mkw n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1mkw s TRP 215 N -1.31 0.19 0.00 0.66 1.48 -0.95 -4.89 118.94 114.12 1mkw s TRP 215 Ca -0.01 -0.82 0.00 0.00 -1.06 0.00 0.00 56.10 54.21 1mkw s TRP 215 Cb 0.00 0.76 0.00 0.00 -1.16 0.00 0.00 33.47 33.07 1mkw s TRP 215 CO 0.01 -1.53 0.00 0.41 -4.06 0.00 0.00 176.95 171.78 1mkw n GLY 216 N -0.53 0.71 3.34 3.67 0.00 -1.26 0.12 105.19 111.24 1mkw n GLY 216 Ca -0.07 -0.80 -0.44 0.00 0.00 0.00 0.00 46.02 44.70 1mkw n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mkw s GLU 217 N -2.00 2.92 1.51 1.61 2.02 -1.26 -4.93 118.70 118.57 1mkw s GLU 217 Ca 0.00 -1.50 0.00 0.00 0.02 0.00 0.00 54.97 53.49 1mkw s GLU 217 Cb 0.00 -4.15 0.00 0.00 0.10 0.00 0.00 34.13 30.08 1mkw s GLU 217 CO 0.00 -1.13 0.00 0.41 0.02 0.00 0.00 175.26 174.56 1mkw n GLY 219 N 5.18 -1.66 2.99 -1.39 0.00 -1.26 -4.74 105.19 104.30 1mkw n GLY 219 Ca -0.12 -1.32 -0.20 0.00 0.00 0.00 0.00 46.02 44.37 1mkw n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mkw n ASP 221 N 3.33 -4.08 -4.83 0.00 2.03 -1.26 -4.71 116.55 107.03 1mkw n ASP 221 Ca -0.18 -0.67 -0.34 0.00 0.52 0.00 0.00 54.79 54.12 1mkw n ASP 221 Cb 0.54 -3.31 -0.06 0.00 -0.72 0.00 0.00 41.12 37.56 1mkw n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1mkw s ARG 221 N -6.43 4.17 0.30 -0.67 0.52 -1.26 -4.98 118.95 110.60 1mkw s ARG 221 Ca 0.57 0.90 -0.29 0.00 -0.52 0.00 0.00 55.73 56.39 1mkw s ARG 221 Cb -0.30 -2.48 -0.10 0.00 0.52 0.00 0.00 34.95 32.58 1mkw s ARG 221 CO 0.71 0.16 1.37 -0.51 0.02 0.00 0.00 175.30 177.05 1mkw s ASP 222 N -2.06 6.69 0.00 0.23 1.01 -1.26 -2.83 116.67 118.45 1mkw s ASP 222 Ca 0.54 2.70 0.00 0.00 0.71 0.00 0.00 52.55 56.50 1mkw s ASP 222 Cb -0.12 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.17 1mkw s ASP 222 CO 0.18 -0.63 0.00 0.61 0.21 0.00 0.00 175.17 175.54 1mkw n GLY 223 N 1.38 0.89 3.39 0.21 0.00 -1.26 -5.02 105.19 104.79 1mkw n GLY 223 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1mkw n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mkw s LYS 224 N -0.02 1.42 0.11 1.61 1.02 -1.13 -4.81 119.74 117.94 1mkw s LYS 224 Ca 0.00 -1.43 0.06 0.00 0.02 0.00 0.00 55.97 54.61 1mkw s LYS 224 Cb 0.00 -1.76 -0.04 0.00 -0.52 0.00 0.00 37.83 35.51 1mkw s LYS 224 CO 0.00 0.39 -0.14 0.71 -0.92 0.00 0.00 175.35 175.39 1mkw s TYR 225 N -1.51 1.34 0.27 3.18 1.51 -1.26 -4.71 117.35 116.16 1mkw s TYR 225 Ca 0.17 -0.54 -0.22 0.00 -1.01 0.00 0.00 57.07 55.48 1mkw s TYR 225 Cb -0.08 -0.71 -0.09 0.00 -0.11 0.00 0.00 41.96 40.96 1mkw s TYR 225 CO 0.08 0.11 0.81 0.20 -1.11 0.00 0.00 175.55 175.64 1mkw s GLY 226 N -2.28 2.65 -0.12 0.71 0.00 -0.99 -4.66 107.32 102.63 1mkw s GLY 226 Ca 0.06 0.29 -0.04 0.00 0.00 0.00 0.00 44.72 45.02 1mkw s GLY 226 CO 0.03 0.66 0.04 -1.36 0.00 0.00 0.00 173.10 172.47 1mkw s PHE 227 N -1.61 3.27 0.10 1.90 0.40 0.33 -1.47 117.98 120.90 1mkw s PHE 227 Ca 0.47 0.22 0.10 0.00 -0.60 0.00 0.00 56.93 57.12 1mkw s PHE 227 Cb -0.17 -1.89 -0.04 0.00 0.51 0.00 0.00 43.02 41.44 1mkw s PHE 227 CO 0.21 0.44 -0.26 0.71 0.70 0.00 0.00 175.22 177.03 1mkw s TYR 228 N -0.60 2.23 -0.18 0.36 1.51 0.64 -2.08 117.35 119.23 1mkw s TYR 228 Ca 0.11 -0.39 -0.25 0.00 -1.01 0.00 0.00 57.07 55.52 1mkw s TYR 228 Cb -0.12 -1.26 -0.01 0.00 -0.11 0.00 0.00 41.96 40.46 1mkw s TYR 228 CO 0.02 0.25 0.83 0.99 -1.11 0.00 0.00 175.55 176.53 1mkw s THR 229 N -0.97 4.88 -0.92 -0.71 2.01 0.33 -1.82 115.64 118.44 1mkw s THR 229 Ca 0.12 1.63 -0.25 0.00 0.31 0.00 0.00 61.69 63.50 1mkw s THR 229 Cb -0.10 -4.14 -0.06 0.00 0.01 0.00 0.00 72.50 68.22 1mkw s THR 229 CO 0.04 0.02 1.98 -2.28 -0.69 0.00 0.00 174.62 173.69 1mkw s HIS 230 N 2.21 1.76 0.21 4.92 2.46 -0.85 -1.81 115.29 124.18 1mkw s HIS 230 Ca 0.38 0.74 -0.11 0.00 0.47 0.00 0.00 55.06 56.53 1mkw s HIS 230 Cb -0.16 -3.99 0.27 0.00 -0.13 0.00 0.00 32.58 28.57 1mkw s HIS 230 CO 0.12 -1.68 1.67 0.28 -2.47 0.00 0.00 174.74 172.66 1mkw h VAL 231 N 7.20 0.53 -0.64 0.89 2.07 -1.71 -2.09 116.25 122.50 1mkw h VAL 231 Ca 0.10 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.59 1mkw h VAL 231 Cb 1.00 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1mkw h VAL 231 CO 1.19 0.02 0.42 0.15 0.02 0.00 0.00 177.57 179.38 1mkw h PHE 232 N 0.13 0.79 -0.07 1.57 3.57 -1.86 -2.42 116.94 118.64 1mkw h PHE 232 Ca 0.30 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.84 1mkw h PHE 232 Cb 0.48 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1mkw h PHE 232 CO -0.34 0.49 -0.05 0.00 -2.23 0.00 0.00 178.31 176.17 1mkw h ARG 233 N 0.84 -0.06 -0.91 1.11 2.47 -1.73 -2.36 114.38 113.74 1mkw h ARG 233 Ca 0.24 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.88 1mkw h ARG 233 Cb -0.06 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.22 1mkw h ARG 233 CO -0.06 -0.04 0.11 1.28 0.56 0.00 0.00 179.97 181.82 1mkw n LEU 234 N -5.18 3.48 0.29 3.04 7.99 -0.97 -4.30 117.00 121.35 1mkw n LEU 234 Ca -0.05 -1.79 0.18 0.00 -0.01 0.00 0.00 56.01 54.35 1mkw n LEU 234 Cb 0.11 -0.59 0.79 0.00 -0.11 0.00 0.00 43.42 43.62 1mkw n LEU 234 CO 0.28 0.53 1.03 0.50 -1.51 0.00 0.00 177.39 178.22 1mkw h LYS 235 N 0.98 0.00 0.23 3.23 1.63 -0.96 -2.57 116.57 119.11 1mkw h LYS 235 Ca 0.10 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.58 1mkw h LYS 235 Cb 1.33 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 32.99 1mkw h LYS 235 CO 0.28 0.00 -1.45 0.87 -3.45 0.00 0.00 179.45 175.70 1mkw h LYS 236 N 0.00 0.48 -0.31 1.90 6.56 -1.82 -3.00 116.57 120.37 1mkw h LYS 236 Ca -0.00 -0.82 -0.10 0.00 -1.06 0.00 0.00 60.65 58.68 1mkw h LYS 236 Cb 0.41 0.30 -0.01 0.00 -0.57 0.00 0.00 32.23 32.36 1mkw h LYS 236 CO 0.00 1.39 -0.21 2.35 -2.06 0.00 0.00 179.45 180.92 1mkw h TRP 237 N 0.13 0.65 0.00 -1.35 7.01 -1.80 -1.69 115.95 118.91 1mkw h TRP 237 Ca -0.24 -0.13 -0.04 0.00 2.11 0.00 0.00 58.89 60.59 1mkw h TRP 237 Cb 2.13 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 29.02 1mkw h TRP 237 CO 0.11 0.75 -0.18 0.82 -2.79 0.00 0.00 178.44 177.16 1mkw h ILE 238 N 0.52 0.65 0.22 2.65 2.04 -1.54 -2.04 117.51 120.01 1mkw h ILE 238 Ca 0.08 -0.77 -0.30 0.00 1.00 0.00 0.00 64.86 64.87 1mkw h ILE 238 Cb 0.64 1.49 0.03 0.00 -0.74 0.00 0.00 36.82 38.25 1mkw h ILE 238 CO 0.05 0.17 -1.35 1.56 0.00 0.00 0.00 178.15 178.58 1mkw h GLN 239 N 0.00 0.46 -0.16 2.37 4.20 -1.20 -3.13 115.11 117.65 1mkw h GLN 239 Ca -0.00 -0.79 -0.03 0.00 0.06 0.00 0.00 58.65 57.89 1mkw h GLN 239 Cb 0.48 0.29 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 1mkw h GLN 239 CO 0.02 1.38 -0.06 -0.22 -0.67 0.00 0.00 178.83 179.28 1mkw h LYS 240 N -0.00 0.23 -0.05 1.46 1.63 -1.10 -2.34 116.57 116.40 1mkw h LYS 240 Ca -0.24 -0.04 -0.15 0.00 -0.85 0.00 0.00 60.65 59.37 1mkw h LYS 240 Cb 2.02 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 33.60 1mkw h LYS 240 CO 0.23 0.31 -0.65 0.28 -3.45 0.00 0.00 179.45 176.17 1mkw h VAL 241 N 0.23 1.41 -0.24 2.00 2.07 -1.39 -3.01 116.25 117.32 1mkw h VAL 241 Ca 0.05 -2.10 0.00 0.00 0.82 0.00 0.00 66.70 65.47 1mkw h VAL 241 Cb 0.25 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1mkw h VAL 241 CO 0.01 0.62 0.00 -0.38 0.02 0.00 0.00 177.57 177.84 1mkw n ILE 242 N -3.83 0.30 -0.98 4.57 5.41 -1.00 -5.12 119.36 118.71 1mkw n ILE 242 Ca -0.02 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.23 1mkw n ILE 242 Cb 0.65 0.65 0.00 0.00 -0.71 0.00 0.00 39.64 40.23 1mkw n ILE 242 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02