#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgi s VAL 17 N 0.00 5.29 -1.37 1.39 1.01 0.60 -4.04 120.40 123.28 1sgi s VAL 17 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 1sgi s VAL 17 Cb 0.00 -3.34 0.03 0.00 0.00 0.00 0.00 36.38 33.06 1sgi s VAL 17 CO 0.00 0.53 0.36 -0.62 0.00 0.00 0.00 175.10 175.37 1sgi n GLU 18 N 1.71 -3.43 -0.10 2.72 -0.58 -1.26 -2.66 120.64 117.04 1sgi n GLU 18 Ca -0.17 0.70 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 1sgi n GLU 18 Cb 0.54 -5.43 0.00 0.00 -0.57 0.00 0.00 31.44 25.98 1sgi n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sgi n GLY 19 N -1.18 3.77 3.24 0.62 0.00 -1.26 -4.72 105.19 105.66 1sgi n GLY 19 Ca -0.10 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.78 1sgi n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sgi s SER 20 N -0.39 0.06 0.25 1.61 1.04 -0.52 -4.92 113.70 110.84 1sgi s SER 20 Ca 0.00 -0.64 -0.30 0.00 0.48 0.00 0.00 55.95 55.49 1sgi s SER 20 Cb 0.00 0.37 -0.14 0.00 0.10 0.00 0.00 66.02 66.35 1sgi s SER 20 CO 0.00 -0.77 1.21 0.47 0.98 0.00 0.00 173.24 175.13 1sgi n ASP 21 N -0.11 2.00 -4.87 7.02 9.92 -1.26 -1.40 116.55 127.85 1sgi n ASP 21 Ca -0.14 1.16 -0.31 0.00 -0.53 0.00 0.00 54.79 54.98 1sgi n ASP 21 Cb 0.63 -1.35 0.00 0.00 -0.64 0.00 0.00 41.12 39.76 1sgi n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1sgi s ALA 22 N -0.55 3.13 0.38 2.24 0.00 0.25 -4.78 121.76 122.41 1sgi s ALA 22 Ca 0.64 -0.10 -0.10 0.00 0.00 0.00 0.00 51.96 52.40 1sgi s ALA 22 Cb -0.70 -3.04 -0.06 0.00 0.00 0.00 0.00 23.12 19.32 1sgi s ALA 22 CO 0.55 -0.61 0.73 -1.21 0.00 0.00 0.00 175.76 175.22 1sgi s GLU 23 N -5.02 3.78 -0.09 0.00 2.02 -1.26 -4.93 118.70 113.20 1sgi s GLU 23 Ca 0.55 0.42 -0.32 0.00 0.02 0.00 0.00 54.97 55.63 1sgi s GLU 23 Cb -0.11 -2.44 -0.10 0.00 0.10 0.00 0.00 34.13 31.58 1sgi s GLU 23 CO 0.51 0.03 1.98 -0.89 0.02 0.00 0.00 175.26 176.90 1sgi n ILE 24 N -1.13 0.59 -1.08 -1.63 2.08 -1.26 -1.88 119.36 115.05 1sgi n ILE 24 Ca 0.02 -0.17 -0.03 0.00 0.56 0.00 0.00 62.75 63.13 1sgi n ILE 24 Cb 0.54 -2.08 -0.01 0.00 -0.75 0.00 0.00 39.64 37.33 1sgi n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1sgi n GLY 25 N 4.77 0.60 0.04 7.39 0.00 -1.26 -4.91 105.19 111.82 1sgi n GLY 25 Ca 0.24 -0.48 0.16 0.00 0.00 0.00 0.00 46.02 45.94 1sgi n GLY 25 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1sgi n MET 26 N -2.51 0.93 -2.94 1.61 0.00 -0.79 -3.92 117.12 109.49 1sgi n MET 26 Ca -0.03 -0.08 -0.14 0.00 0.00 0.00 0.00 57.70 57.45 1sgi n MET 26 Cb 0.14 -1.50 0.02 0.00 0.00 0.00 0.00 33.22 31.88 1sgi n MET 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1sgi n SER 27 N -0.97 -1.26 0.02 3.17 2.88 -1.26 -5.00 113.62 111.20 1sgi n SER 27 Ca 0.21 -3.21 0.03 0.00 -1.33 0.00 0.00 58.87 54.58 1sgi n SER 27 Cb 0.16 0.77 0.15 0.00 -0.75 0.00 0.00 64.21 64.55 1sgi n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1sgi n PRO 28 N 0.97 0.02 0.00 -1.46 -0.04 -1.25 -1.78 135.00 131.46 1sgi n PRO 28 Ca 0.14 0.45 0.12 0.00 -0.04 0.00 0.00 63.50 64.17 1sgi n PRO 28 Cb 0.63 -1.56 0.10 0.00 -0.04 0.00 0.00 33.50 32.63 1sgi n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1sgi n TRP 29 N -1.61 0.00 -1.91 0.54 2.14 -0.81 -1.45 117.44 114.34 1sgi n TRP 29 Ca 0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.16 1sgi n TRP 29 Cb 0.05 -0.01 -0.03 0.00 -0.81 0.00 0.00 31.31 30.51 1sgi n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1sgi s GLN 30 N -2.29 4.20 0.05 -2.67 2.00 -0.73 -0.40 119.66 119.82 1sgi s GLN 30 Ca 0.24 2.38 0.09 0.00 -2.00 0.00 0.00 55.36 56.06 1sgi s GLN 30 Cb 0.19 -3.27 -0.03 0.00 0.80 0.00 0.00 33.01 30.71 1sgi s GLN 30 CO 0.46 -0.65 -0.24 0.08 -0.50 0.00 0.00 175.29 174.44 1sgi s VAL 31 N 1.54 1.94 -0.22 1.34 1.01 0.52 -3.95 120.40 122.59 1sgi s VAL 31 Ca 0.72 -1.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 1sgi s VAL 31 Cb -0.43 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1sgi s VAL 31 CO 0.32 0.28 0.02 -0.32 0.00 0.00 0.00 175.10 175.40 1sgi s MET 32 N -1.25 3.61 -0.33 2.72 1.75 -0.25 -0.56 119.30 124.98 1sgi s MET 32 Ca 0.10 -0.52 -0.22 0.00 -1.25 0.00 0.00 55.69 53.80 1sgi s MET 32 Cb -0.09 -3.15 0.00 0.00 2.84 0.00 0.00 34.83 34.43 1sgi s MET 32 CO 0.02 -0.07 0.74 -1.17 -0.65 0.00 0.00 175.02 173.90 1sgi s LEU 33 N 1.22 4.13 -0.08 4.11 0.20 0.08 -0.99 118.68 127.34 1sgi s LEU 33 Ca 0.04 0.48 0.04 0.00 0.69 0.00 0.00 54.13 55.38 1sgi s LEU 33 Cb -0.15 -2.98 -0.01 0.00 -0.43 0.00 0.00 46.19 42.62 1sgi s LEU 33 CO 0.02 -0.62 -0.19 0.12 -0.29 0.00 0.00 176.35 175.38 1sgi s PHE 34 N 2.91 2.60 -0.09 5.38 5.36 0.26 -1.13 117.98 133.26 1sgi s PHE 34 Ca 0.30 -0.60 -0.21 0.00 -0.96 0.00 0.00 56.93 55.46 1sgi s PHE 34 Cb -0.14 -1.68 -0.04 0.00 -0.34 0.00 0.00 43.02 40.82 1sgi s PHE 34 CO 0.14 -0.14 0.60 0.50 -1.46 0.00 0.00 175.22 174.86 1sgi s ARG 35 N -0.13 4.39 0.07 10.12 3.52 0.03 -0.53 118.95 136.42 1sgi s ARG 35 Ca -0.03 0.68 -0.20 0.00 -0.13 0.00 0.00 55.73 56.05 1sgi s ARG 35 Cb -0.14 -3.44 -0.11 0.00 -1.56 0.00 0.00 34.95 29.70 1sgi s ARG 35 CO 0.04 0.10 1.47 0.87 -0.81 0.00 0.00 175.30 176.97 1sgi h LYS 36 N 6.75 0.38 -2.63 5.12 1.57 -1.62 -2.54 116.57 123.60 1sgi h LYS 36 Ca -0.41 -0.14 -0.22 0.00 -1.87 0.00 0.00 60.65 58.01 1sgi h LYS 36 Cb 1.19 -0.02 -0.32 0.00 0.08 0.00 0.00 32.23 33.15 1sgi h LYS 36 CO 0.75 0.62 -0.53 0.45 -0.57 0.00 0.00 179.45 180.18 1sgi s SER 36 N -5.96 0.49 0.83 0.86 0.15 -1.26 -3.09 113.70 105.72 1sgi s SER 36 Ca -0.14 0.42 -0.11 0.00 0.70 0.00 0.00 55.95 56.82 1sgi s SER 36 Cb 0.06 0.75 0.09 0.00 -1.71 0.00 0.00 66.02 65.22 1sgi s SER 36 CO 0.74 -0.26 1.09 -2.16 1.20 0.00 0.00 173.24 173.85 1sgi s PRO 37 N 2.44 1.80 -0.36 5.44 0.04 -1.26 -5.05 135.00 138.04 1sgi s PRO 37 Ca 0.04 0.91 -0.29 0.00 0.04 0.00 0.00 61.00 61.70 1sgi s PRO 37 Cb -0.13 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 1sgi s PRO 37 CO -0.11 -1.89 1.54 -0.65 0.04 0.00 0.00 177.00 175.93 1sgi s GLN 38 N -4.96 3.54 0.01 4.56 -0.21 -1.18 -4.69 119.66 116.74 1sgi s GLN 38 Ca 0.62 1.17 -0.19 0.00 0.02 0.00 0.00 55.36 56.98 1sgi s GLN 38 Cb -0.17 -4.07 0.04 0.00 1.00 0.00 0.00 33.01 29.81 1sgi s GLN 38 CO 0.56 -1.60 0.42 -1.83 -2.12 0.00 0.00 175.29 170.72 1sgi s GLU 39 N 5.08 0.85 -0.12 2.91 -1.05 -0.96 -4.98 118.70 120.43 1sgi s GLU 39 Ca 0.67 -0.22 -0.29 0.00 -0.15 0.00 0.00 54.97 54.98 1sgi s GLU 39 Cb -0.17 0.38 -0.01 0.00 -0.44 0.00 0.00 34.13 33.89 1sgi s GLU 39 CO 0.32 -0.27 1.10 -1.17 0.95 0.00 0.00 175.26 176.19 1sgi s LEU 40 N -1.66 4.22 -0.24 1.83 0.20 -1.26 -0.79 118.68 120.98 1sgi s LEU 40 Ca -0.09 1.61 -0.16 0.00 0.69 0.00 0.00 54.13 56.17 1sgi s LEU 40 Cb -0.02 -3.55 -0.12 0.00 -0.43 0.00 0.00 46.19 42.07 1sgi s LEU 40 CO 0.02 -0.57 -0.20 0.18 -0.29 0.00 0.00 176.35 175.49 1sgi n LEU 41 N 5.52 1.92 -3.86 -0.68 4.77 -0.28 -4.94 117.00 119.44 1sgi n LEU 41 Ca 0.11 0.38 -0.09 0.00 -0.03 0.00 0.00 56.01 56.37 1sgi n LEU 41 Cb 0.47 -0.85 0.01 0.00 -2.33 0.00 0.00 43.42 40.72 1sgi n LEU 41 CO 0.53 0.29 0.45 0.00 -1.33 0.00 0.00 177.39 177.34 1sgi s GLY 43 N -3.07 1.81 0.09 0.00 0.00 0.11 -0.74 107.32 105.51 1sgi s GLY 43 Ca 0.17 -1.63 -0.23 0.00 0.00 0.00 0.00 44.72 43.03 1sgi s GLY 43 CO 0.12 -1.25 1.08 0.00 0.00 0.00 0.00 173.10 173.05 1sgi n ALA 44 N -2.40 -2.92 -3.02 3.20 0.00 0.28 -3.31 120.51 112.33 1sgi n ALA 44 Ca 0.11 -0.88 -0.11 0.00 0.00 0.00 0.00 53.44 52.56 1sgi n ALA 44 Cb 0.60 0.37 -0.09 0.00 0.00 0.00 0.00 19.45 20.33 1sgi n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1sgi s SER 45 N -3.47 0.02 -0.25 0.00 1.04 0.24 -0.36 113.70 110.93 1sgi s SER 45 Ca 0.25 -0.25 -0.15 0.00 0.48 0.00 0.00 55.95 56.28 1sgi s SER 45 Cb -0.02 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 1sgi s SER 45 CO 0.03 -0.44 0.37 -0.22 0.98 0.00 0.00 173.24 173.96 1sgi s LEU 46 N -1.62 4.08 -0.00 2.42 1.98 0.47 -0.23 118.68 125.78 1sgi s LEU 46 Ca -0.11 0.35 0.01 0.00 -2.89 0.00 0.00 54.13 51.48 1sgi s LEU 46 Cb -0.05 -2.43 -0.01 0.00 0.66 0.00 0.00 46.19 44.36 1sgi s LEU 46 CO 0.00 -0.13 0.03 2.30 -1.89 0.00 0.00 176.35 176.66 1sgi n ILE 47 N 4.82 0.00 -3.94 6.68 -5.35 -0.96 -1.69 119.36 118.92 1sgi n ILE 47 Ca -0.09 -0.40 -0.12 0.00 -0.27 0.00 0.00 62.75 61.87 1sgi n ILE 47 Cb 0.51 0.91 -0.00 0.00 -1.74 0.00 0.00 39.64 39.31 1sgi n ILE 47 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1sgi s SER 48 N -1.26 0.51 0.16 7.28 0.15 -1.16 -4.73 113.70 114.63 1sgi s SER 48 Ca 0.00 -1.35 0.26 0.00 0.70 0.00 0.00 55.95 55.56 1sgi s SER 48 Cb 0.01 0.77 0.93 0.00 -1.71 0.00 0.00 66.02 66.02 1sgi s SER 48 CO 0.04 -1.53 1.80 -0.90 1.20 0.00 0.00 173.24 173.84 1sgi n ASP 49 N -1.50 0.57 0.00 5.45 5.68 -1.26 -3.87 116.55 121.62 1sgi n ASP 49 Ca -0.04 0.56 0.00 0.00 -0.50 0.00 0.00 54.79 54.81 1sgi n ASP 49 Cb 0.61 -0.71 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 1sgi n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1sgi n ARG 50 N -2.05 2.70 -5.20 0.11 5.12 -1.26 -1.44 116.66 114.64 1sgi n ARG 50 Ca 0.06 -0.11 -0.31 0.00 -1.93 0.00 0.00 57.85 55.55 1sgi n ARG 50 Cb 0.38 -0.49 -0.17 0.00 -1.16 0.00 0.00 32.46 31.02 1sgi n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1sgi s TRP 51 N -0.42 2.47 -0.06 -1.55 0.52 -1.25 0.57 118.94 119.21 1sgi s TRP 51 Ca 0.00 -0.94 0.04 0.00 0.02 0.00 0.00 56.10 55.22 1sgi s TRP 51 Cb 0.00 -1.65 -0.02 0.00 -1.15 0.00 0.00 33.47 30.66 1sgi s TRP 51 CO 0.00 -0.36 -0.19 0.08 0.02 0.00 0.00 176.95 176.50 1sgi s VAL 52 N 0.22 2.63 -0.08 4.03 1.01 -0.33 -2.26 120.40 125.62 1sgi s VAL 52 Ca -0.15 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 1sgi s VAL 52 Cb -0.17 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1sgi s VAL 52 CO 0.07 0.57 0.03 -0.22 0.00 0.00 0.00 175.10 175.55 1sgi s LEU 53 N -0.33 3.72 0.00 3.92 2.96 0.68 -1.33 118.68 128.30 1sgi s LEU 53 Ca 0.02 0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 54.06 1sgi s LEU 53 Cb -0.13 -1.91 0.02 0.00 0.50 0.00 0.00 46.19 44.68 1sgi s LEU 53 CO 0.02 0.37 0.32 1.07 -1.32 0.00 0.00 176.35 176.82 1sgi n THR 54 N 1.98 0.00 -3.37 3.68 5.66 -0.74 -0.59 114.28 120.90 1sgi n THR 54 Ca -0.18 -0.51 -0.37 0.00 -3.05 0.00 0.00 64.05 59.94 1sgi n THR 54 Cb 0.54 0.45 -0.06 0.00 -1.55 0.00 0.00 70.33 69.71 1sgi n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sgi s ALA 55 N -1.60 3.62 0.22 1.79 0.00 -1.26 -1.07 121.76 123.46 1sgi s ALA 55 Ca 0.08 -0.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.87 1sgi s ALA 55 Cb -0.02 -2.52 0.18 0.00 0.00 0.00 0.00 23.12 20.76 1sgi s ALA 55 CO 0.06 0.45 1.81 0.00 0.00 0.00 0.00 175.76 178.08 1sgi h ALA 56 N 4.20 1.09 0.00 0.00 0.00 -1.72 -2.11 119.26 120.73 1sgi h ALA 56 Ca -0.50 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1sgi h ALA 56 Cb 1.21 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1sgi h ALA 56 CO 0.64 0.67 0.00 -2.39 0.00 0.00 0.00 179.25 178.17 1sgi n HIS 57 N -4.29 0.07 0.12 0.00 1.44 -1.25 0.00 115.22 111.30 1sgi n HIS 57 Ca 0.08 0.03 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 1sgi n HIS 57 Cb 0.15 -0.55 0.02 0.00 0.12 0.00 0.00 29.99 29.74 1sgi n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1sgi n LEU 59 N -3.31 1.14 -3.74 0.00 4.77 -0.06 -4.94 117.00 110.86 1sgi n LEU 59 Ca 0.01 -0.03 -0.24 0.00 -0.03 0.00 0.00 56.01 55.72 1sgi n LEU 59 Cb 0.76 -0.03 -0.17 0.00 -2.33 0.00 0.00 43.42 41.66 1sgi n LEU 59 CO 0.42 0.50 -0.37 -0.22 -1.33 0.00 0.00 177.39 176.39 1sgi s LEU 60 N -5.35 0.64 0.20 2.23 2.96 0.10 -2.06 118.68 117.40 1sgi s LEU 60 Ca -0.13 -0.25 -0.20 0.00 -0.22 0.00 0.00 54.13 53.34 1sgi s LEU 60 Cb 0.05 -0.43 0.04 0.00 0.50 0.00 0.00 46.19 46.35 1sgi s LEU 60 CO 0.48 -0.23 0.59 -0.47 -1.32 0.00 0.00 176.35 175.39 1sgi s TYR 60 N 1.98 -0.27 0.00 5.38 5.04 0.03 -3.95 117.35 125.57 1sgi s TYR 60 Ca 0.04 -0.05 0.00 0.00 -2.44 0.00 0.00 57.07 54.61 1sgi s TYR 60 Cb -0.13 0.51 0.00 0.00 0.35 0.00 0.00 41.96 42.69 1sgi s TYR 60 CO -0.06 -0.96 0.00 -2.30 -1.34 0.00 0.00 175.55 170.89 1sgi n PRO 60 N -0.38 0.00 -0.77 4.97 -0.02 -1.26 -2.52 135.00 135.02 1sgi n PRO 60 Ca -0.11 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.45 1sgi n PRO 60 Cb 0.63 -0.06 0.38 0.00 -0.02 0.00 0.00 33.50 34.43 1sgi n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1sgi n TRP 60 N 0.00 1.79 -2.35 6.00 7.02 -1.26 -4.92 117.44 123.73 1sgi n TRP 60 Ca 0.00 -0.70 -0.20 0.00 -1.02 0.00 0.00 57.50 55.58 1sgi n TRP 60 Cb 0.00 -0.41 -0.01 0.00 -2.42 0.00 0.00 31.31 28.47 1sgi n TRP 60 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1sgi n ASP 60 N 0.71 -5.75 -4.60 -0.99 8.00 -1.19 -4.97 116.55 107.76 1sgi n ASP 60 Ca 0.27 0.03 -0.35 0.00 0.71 0.00 0.00 54.79 55.45 1sgi n ASP 60 Cb 1.07 -4.81 -0.10 0.00 -0.02 0.00 0.00 41.12 37.26 1sgi n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1sgi s LYS 60 N -4.96 3.92 -0.41 -1.24 2.20 -1.05 -4.98 119.74 113.22 1sgi s LYS 60 Ca 0.00 -0.36 0.02 0.00 -0.36 0.00 0.00 55.97 55.26 1sgi s LYS 60 Cb 0.00 -3.28 0.25 0.00 -1.51 0.00 0.00 37.83 33.29 1sgi s LYS 60 CO 0.00 0.14 1.05 -1.71 -0.36 0.00 0.00 175.35 174.47 1sgi n ASN 60 N 3.95 -2.14 -4.75 1.43 5.15 -1.23 -0.79 115.26 116.89 1sgi n ASN 60 Ca -0.16 -2.52 -0.38 0.00 -0.60 0.00 0.00 54.58 50.92 1sgi n ASN 60 Cb 0.52 1.28 0.04 0.00 -0.53 0.00 0.00 39.78 41.09 1sgi n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1sgi s PHE 60 N 0.44 2.35 0.33 1.20 0.08 -0.87 -5.02 117.98 116.48 1sgi s PHE 60 Ca 0.29 1.41 0.07 0.00 0.12 0.00 0.00 56.93 58.82 1sgi s PHE 60 Cb 0.21 -3.72 -0.03 0.00 -0.57 0.00 0.00 43.02 38.91 1sgi s PHE 60 CO -0.16 -2.69 0.29 0.95 -0.10 0.00 0.00 175.22 173.51 1sgi s THR 60 N -1.35 3.63 0.30 0.64 -4.23 -1.26 -4.97 115.64 108.40 1sgi s THR 60 Ca 0.72 -1.35 0.06 0.00 -1.18 0.00 0.00 61.69 59.94 1sgi s THR 60 Cb -0.38 -3.21 0.30 0.00 1.34 0.00 0.00 72.50 70.54 1sgi s THR 60 CO 0.45 -0.19 1.71 -0.33 -0.54 0.00 0.00 174.62 175.72 1sgi h GLU 61 N 1.25 0.46 0.00 3.99 3.07 -1.94 -1.52 114.58 119.89 1sgi h GLU 61 Ca -0.45 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 1sgi h GLU 61 Cb 1.25 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 1sgi h GLU 61 CO 0.58 0.31 0.00 -0.91 -1.40 0.00 0.00 179.01 177.59 1sgi h ASN 62 N 0.48 0.00 0.96 1.42 2.35 -1.95 -3.02 115.58 115.82 1sgi h ASN 62 Ca 0.60 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.30 1sgi h ASN 62 Cb 1.15 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.51 1sgi h ASN 62 CO -0.51 0.00 -0.24 0.44 -1.65 0.00 0.00 177.43 175.48 1sgi h ASP 63 N 0.00 0.00 -1.80 5.81 3.32 -1.66 -3.47 116.42 118.62 1sgi h ASP 63 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1sgi h ASP 63 Cb 0.64 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.08 1sgi h ASP 63 CO 0.00 0.24 -0.58 -0.76 -1.72 0.00 0.00 179.24 176.41 1sgi s LEU 64 N -6.76 3.01 0.04 1.55 1.43 -1.14 -1.60 118.68 115.20 1sgi s LEU 64 Ca 0.01 -1.06 -0.04 0.00 -1.03 0.00 0.00 54.13 52.01 1sgi s LEU 64 Cb 0.10 -1.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.98 1sgi s LEU 64 CO 0.64 -0.34 0.05 -0.76 0.23 0.00 0.00 176.35 176.17 1sgi s LEU 65 N -3.76 2.06 -0.13 1.79 1.43 0.31 -4.50 118.68 115.88 1sgi s LEU 65 Ca 0.36 -0.70 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 1sgi s LEU 65 Cb 0.02 0.44 0.01 0.00 0.03 0.00 0.00 46.19 46.69 1sgi s LEU 65 CO 0.20 -0.53 -0.21 -0.69 0.23 0.00 0.00 176.35 175.35 1sgi s VAL 66 N -3.01 1.96 -0.28 -1.59 1.01 -0.15 -0.58 120.40 117.77 1sgi s VAL 66 Ca -0.02 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 1sgi s VAL 66 Cb 0.01 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.67 1sgi s VAL 66 CO -0.07 0.53 0.05 -0.13 0.00 0.00 0.00 175.10 175.49 1sgi s ARG 67 N 0.76 3.05 0.06 2.72 0.52 -0.16 -0.30 118.95 125.59 1sgi s ARG 67 Ca -0.09 -0.87 0.04 0.00 -0.52 0.00 0.00 55.73 54.29 1sgi s ARG 67 Cb -0.16 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 31.99 1sgi s ARG 67 CO 0.00 -0.42 -0.02 0.42 0.02 0.00 0.00 175.30 175.30 1sgi s ILE 68 N 1.46 3.93 -0.23 1.52 1.01 0.41 -1.09 121.20 128.21 1sgi s ILE 68 Ca 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1sgi s ILE 68 Cb -0.17 -2.82 0.00 0.00 0.01 0.00 0.00 42.46 39.48 1sgi s ILE 68 CO 0.01 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.78 1sgi n GLY 69 N 0.94 0.56 3.90 6.18 0.00 -1.25 -0.30 105.19 115.21 1sgi n GLY 69 Ca -0.13 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 1sgi n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgi s LYS 70 N -1.91 2.94 0.07 1.61 1.02 -1.26 -4.25 119.74 117.96 1sgi s LYS 70 Ca 0.00 0.25 0.00 0.00 0.02 0.00 0.00 55.97 56.24 1sgi s LYS 70 Cb 0.00 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 1sgi s LYS 70 CO 0.00 -0.83 0.00 1.58 -0.92 0.00 0.00 175.35 175.18 1sgi n HIS 71 N -2.78 -0.59 -2.51 3.18 -0.00 -1.26 -4.95 115.22 106.31 1sgi n HIS 71 Ca 0.06 0.10 -0.37 0.00 -0.00 0.00 0.00 57.72 57.51 1sgi n HIS 71 Cb 0.57 0.44 -0.04 0.00 -0.00 0.00 0.00 29.99 30.96 1sgi n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1sgi s SER 72 N -5.04 6.77 -0.04 0.26 0.15 -1.26 -0.19 113.70 114.35 1sgi s SER 72 Ca 0.00 2.09 -0.10 0.00 0.70 0.00 0.00 55.95 58.64 1sgi s SER 72 Cb 0.00 -2.59 -0.05 0.00 -1.71 0.00 0.00 66.02 61.66 1sgi s SER 72 CO 0.00 -0.48 0.48 -0.09 1.20 0.00 0.00 173.24 174.35 1sgi h ARG 73 N 2.63 -0.34 0.08 5.44 2.43 -1.04 -3.41 114.38 120.17 1sgi h ARG 73 Ca -0.48 0.02 -0.31 0.00 -0.81 0.00 0.00 59.98 58.40 1sgi h ARG 73 Cb 1.22 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.82 1sgi h ARG 73 CO 0.63 -0.23 -1.65 1.79 -1.51 0.00 0.00 179.97 179.00 1sgi h THR 74 N -0.86 0.99 -3.53 0.20 1.35 -1.88 -3.47 112.91 105.71 1sgi h THR 74 Ca -0.04 -2.71 -0.54 0.00 -0.55 0.00 0.00 66.41 62.58 1sgi h THR 74 Cb 0.27 2.61 0.09 0.00 -1.73 0.00 0.00 68.15 69.40 1sgi h THR 74 CO 0.06 0.75 0.85 0.54 -0.25 0.00 0.00 175.52 177.47 1sgi n ARG 75 N -3.34 2.71 -2.88 4.72 1.74 -1.26 -4.92 116.66 113.43 1sgi n ARG 75 Ca -0.19 0.96 -0.43 0.00 -0.77 0.00 0.00 57.85 57.42 1sgi n ARG 75 Cb 1.04 -2.73 -0.05 0.00 -1.02 0.00 0.00 32.46 29.71 1sgi n ARG 75 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1sgi s TYR 76 N -0.41 2.94 -1.10 -1.55 5.04 -1.26 -4.80 117.35 116.20 1sgi s TYR 76 Ca 0.60 0.28 -0.04 0.00 -2.44 0.00 0.00 57.07 55.47 1sgi s TYR 76 Cb -0.48 -3.86 0.18 0.00 0.35 0.00 0.00 41.96 38.15 1sgi s TYR 76 CO 0.54 -1.07 2.27 0.39 -1.34 0.00 0.00 175.55 176.34 1sgi n GLU 77 N 7.01 4.44 -0.47 4.97 1.02 -1.26 -4.77 120.64 131.59 1sgi n GLU 77 Ca 0.04 -3.65 0.42 0.00 -0.02 0.00 0.00 57.16 53.96 1sgi n GLU 77 Cb 0.48 -2.50 0.74 0.00 -0.02 0.00 0.00 31.44 30.14 1sgi n GLU 77 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sgi h ALA 77 N 4.19 3.41 -0.00 0.62 0.00 -1.91 0.62 119.26 126.19 1sgi h ALA 77 Ca 0.61 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.36 1sgi h ALA 77 Cb 0.34 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1sgi h ALA 77 CO 1.32 -1.93 -0.42 -2.95 0.00 0.00 0.00 179.25 175.27 1sgi h ASN 78 N 0.00 0.38 0.01 0.00 7.08 -2.03 -3.40 115.58 117.62 1sgi h ASN 78 Ca 0.71 -0.77 -0.39 0.00 -3.08 0.00 0.00 56.30 52.77 1sgi h ASN 78 Cb 3.01 -0.12 -0.07 0.00 -2.08 0.00 0.00 38.32 39.07 1sgi h ASN 78 CO -0.01 1.10 -2.43 -0.38 -2.08 0.00 0.00 177.43 173.62 1sgi n ILE 79 N -4.36 1.52 -2.26 6.14 -0.00 -0.05 -5.02 119.36 115.33 1sgi n ILE 79 Ca -0.10 -0.58 -0.34 0.00 -0.00 0.00 0.00 62.75 61.73 1sgi n ILE 79 Cb 0.59 -1.44 -0.00 0.00 -0.00 0.00 0.00 39.64 38.79 1sgi n ILE 79 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 1sgi s GLU 80 N -2.52 3.41 -0.07 0.38 2.12 0.20 -4.82 118.70 117.39 1sgi s GLU 80 Ca -0.34 1.49 0.04 0.00 0.36 0.00 0.00 54.97 56.52 1sgi s GLU 80 Cb 0.09 -2.02 0.00 0.00 0.26 0.00 0.00 34.13 32.46 1sgi s GLU 80 CO 0.62 -0.78 -0.17 0.15 -0.54 0.00 0.00 175.26 174.53 1sgi s LYS 81 N -3.42 2.08 -0.24 4.30 3.01 0.59 -4.71 119.74 121.36 1sgi s LYS 81 Ca 0.70 -0.61 -0.08 0.00 -1.01 0.00 0.00 55.97 54.97 1sgi s LYS 81 Cb -0.21 -1.70 -0.04 0.00 -1.01 0.00 0.00 37.83 34.88 1sgi s LYS 81 CO 0.27 0.15 0.09 0.42 0.51 0.00 0.00 175.35 176.79 1sgi s ILE 82 N 0.34 4.60 0.12 2.17 1.01 -1.26 -0.44 121.20 127.73 1sgi s ILE 82 Ca -0.12 -0.08 0.09 0.00 0.00 0.00 0.00 60.65 60.55 1sgi s ILE 82 Cb -0.15 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 1sgi s ILE 82 CO 0.04 0.36 -0.24 -0.44 0.00 0.00 0.00 174.94 174.67 1sgi s SER 83 N 1.29 2.89 0.13 3.58 0.01 0.59 -4.97 113.70 117.22 1sgi s SER 83 Ca 0.05 -0.72 0.02 0.00 1.31 0.00 0.00 55.95 56.61 1sgi s SER 83 Cb -0.15 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 1sgi s SER 83 CO 0.04 0.11 0.27 -0.04 0.41 0.00 0.00 173.24 174.03 1sgi s MET 84 N -1.99 3.44 -0.18 12.44 -1.94 -1.26 -0.97 119.30 128.83 1sgi s MET 84 Ca 0.10 -0.56 -0.18 0.00 -1.71 0.00 0.00 55.69 53.34 1sgi s MET 84 Cb -0.10 -2.98 -0.04 0.00 2.01 0.00 0.00 34.83 33.72 1sgi s MET 84 CO 0.05 0.54 0.49 -0.51 -0.01 0.00 0.00 175.02 175.58 1sgi s LEU 85 N -3.08 4.17 -0.05 -0.03 1.43 -1.26 -1.02 118.68 118.85 1sgi s LEU 85 Ca 0.35 0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 53.96 1sgi s LEU 85 Cb -0.11 -2.68 -0.31 0.00 0.03 0.00 0.00 46.19 43.12 1sgi s LEU 85 CO 0.28 -0.13 0.75 -0.08 0.23 0.00 0.00 176.35 177.40 1sgi h GLU 86 N 7.29 0.35 -1.99 1.70 4.81 -0.21 -3.44 114.58 123.09 1sgi h GLU 86 Ca -0.36 -0.59 -0.04 0.00 -0.13 0.00 0.00 59.36 58.24 1sgi h GLU 86 Cb 1.16 0.22 -0.21 0.00 0.63 0.00 0.00 28.75 30.55 1sgi h GLU 86 CO 0.74 1.28 0.15 0.21 -0.73 0.00 0.00 179.01 180.67 1sgi s LYS 87 N -2.51 0.87 -0.10 1.92 2.47 -1.16 -4.99 119.74 116.23 1sgi s LYS 87 Ca -0.15 0.85 -0.04 0.00 -1.56 0.00 0.00 55.97 55.06 1sgi s LYS 87 Cb 0.04 0.42 -0.04 0.00 -1.46 0.00 0.00 37.83 36.79 1sgi s LYS 87 CO 0.84 -0.14 0.07 0.42 0.16 0.00 0.00 175.35 176.70 1sgi s ILE 88 N 0.08 4.92 -0.17 5.43 1.01 -1.26 -1.15 121.20 130.06 1sgi s ILE 88 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.61 1sgi s ILE 88 Cb -0.04 -3.11 0.05 0.00 0.01 0.00 0.00 42.46 39.36 1sgi s ILE 88 CO 0.02 0.61 -0.04 -0.31 0.00 0.00 0.00 174.94 175.22 1sgi s TYR 89 N -0.96 1.67 -0.10 3.97 2.02 0.14 -5.00 117.35 119.08 1sgi s TYR 89 Ca 0.14 -1.11 -0.02 0.00 -0.37 0.00 0.00 57.07 55.72 1sgi s TYR 89 Cb -0.12 -1.30 -0.03 0.00 -0.40 0.00 0.00 41.96 40.12 1sgi s TYR 89 CO 0.03 -0.63 -0.03 0.42 -1.57 0.00 0.00 175.55 173.77 1sgi s ILE 90 N 1.64 3.99 0.05 2.71 1.01 -1.26 0.05 121.20 129.39 1sgi s ILE 90 Ca -0.00 -0.35 -0.35 0.00 0.00 0.00 0.00 60.65 59.94 1sgi s ILE 90 Cb -0.16 -2.69 -0.14 0.00 0.01 0.00 0.00 42.46 39.49 1sgi s ILE 90 CO -0.07 0.56 1.62 1.57 0.00 0.00 0.00 174.94 178.62 1sgi n HIS 91 N 2.65 2.12 0.10 3.97 -0.00 -1.13 -4.84 115.22 118.09 1sgi n HIS 91 Ca -0.18 0.30 0.18 0.00 -0.00 0.00 0.00 57.72 58.02 1sgi n HIS 91 Cb 0.53 -2.52 0.74 0.00 -0.00 0.00 0.00 29.99 28.74 1sgi n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1sgi h PRO 92 N 6.55 0.00 -0.54 1.57 0.13 -1.95 -1.88 132.00 135.88 1sgi h PRO 92 Ca -0.46 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.41 1sgi h PRO 92 Cb 1.28 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.26 1sgi h PRO 92 CO 0.89 0.00 0.14 0.54 -0.23 0.00 0.00 178.00 179.34 1sgi n ARG 93 N -4.06 2.19 -2.02 0.86 1.74 -1.26 -4.97 116.66 109.14 1sgi n ARG 93 Ca 0.06 -3.10 -0.43 0.00 -0.77 0.00 0.00 57.85 53.60 1sgi n ARG 93 Cb 0.48 -1.94 -0.03 0.00 -1.02 0.00 0.00 32.46 29.95 1sgi n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1sgi s TYR 94 N -3.20 1.90 -1.06 -1.55 5.04 -0.71 -4.71 117.35 113.06 1sgi s TYR 94 Ca 0.48 0.52 -0.16 0.00 -2.44 0.00 0.00 57.07 55.47 1sgi s TYR 94 Cb 0.42 -4.05 0.15 0.00 0.35 0.00 0.00 41.96 38.83 1sgi s TYR 94 CO 0.04 -3.14 1.27 1.21 -1.34 0.00 0.00 175.55 173.59 1sgi s ASN 95 N 5.17 6.83 0.33 4.32 3.04 -0.38 -4.83 114.94 129.43 1sgi s ASN 95 Ca 0.77 -2.49 0.21 0.00 0.04 0.00 0.00 52.86 51.39 1sgi s ASN 95 Cb -0.25 -2.40 0.18 0.00 -1.54 0.00 0.00 41.25 37.24 1sgi s ASN 95 CO 0.32 -0.91 1.40 4.11 -3.04 0.00 0.00 177.10 178.98 1sgi h TRP 96 N 8.05 0.00 -0.01 0.43 5.08 -1.92 0.28 115.95 127.86 1sgi h TRP 96 Ca 0.23 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 60.09 1sgi h TRP 96 Cb 0.95 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.10 1sgi h TRP 96 CO 1.14 0.14 -0.51 0.00 -1.28 0.00 0.00 178.44 177.93 1sgi h ARG 97 N 0.00 0.03 0.00 0.12 3.08 -2.00 -3.43 114.38 112.18 1sgi h ARG 97 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1sgi h ARG 97 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1sgi h ARG 97 CO 0.02 0.54 0.00 -1.91 -1.07 0.00 0.00 179.97 177.54 1sgi n GLU 97 N -3.93 0.00 -0.10 0.04 2.13 -1.25 -4.98 120.64 112.55 1sgi n GLU 97 Ca -0.02 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.85 1sgi n GLU 97 Cb 0.53 -0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.31 1sgi n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1sgi n ASN 98 N -1.32 1.70 -3.36 4.31 6.94 -1.24 -5.01 115.26 117.29 1sgi n ASN 98 Ca 0.00 -2.42 -0.23 0.00 -0.02 0.00 0.00 54.58 51.91 1sgi n ASN 98 Cb 0.00 -0.23 0.07 0.00 -2.36 0.00 0.00 39.78 37.26 1sgi n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1sgi n LEU 99 N -0.83 -3.20 -4.77 -4.53 4.77 0.97 -4.94 117.00 104.47 1sgi n LEU 99 Ca 0.08 -0.46 -0.40 0.00 -0.03 0.00 0.00 56.01 55.19 1sgi n LEU 99 Cb 0.52 -2.94 -0.01 0.00 -2.33 0.00 0.00 43.42 38.66 1sgi n LEU 99 CO 0.00 0.54 0.97 -0.62 -1.33 0.00 0.00 177.39 176.95 1sgi s ASP 100 N -3.17 6.57 -1.31 -1.43 2.15 -1.14 -2.67 116.67 115.66 1sgi s ASP 100 Ca 0.50 2.66 -0.06 0.00 0.43 0.00 0.00 52.55 56.09 1sgi s ASP 100 Cb -0.22 -2.64 0.01 0.00 -0.30 0.00 0.00 42.92 39.76 1sgi s ASP 100 CO 0.62 -0.67 1.09 0.54 -0.17 0.00 0.00 175.17 176.58 1sgi n ARG 101 N 0.48 -7.28 -2.29 4.34 1.74 -1.26 -1.25 116.66 111.14 1sgi n ARG 101 Ca 0.02 0.82 -0.34 0.00 -0.77 0.00 0.00 57.85 57.57 1sgi n ARG 101 Cb 0.43 -5.84 -0.04 0.00 -1.02 0.00 0.00 32.46 25.99 1sgi n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1sgi s ASP 102 N -3.75 5.80 -0.05 0.55 2.15 -1.09 -4.45 116.67 115.82 1sgi s ASP 102 Ca 0.35 -1.93 -0.13 0.00 0.43 0.00 0.00 52.55 51.26 1sgi s ASP 102 Cb -0.16 -2.58 0.03 0.00 -0.30 0.00 0.00 42.92 39.91 1sgi s ASP 102 CO 0.74 -2.26 0.31 -0.51 -0.17 0.00 0.00 175.17 173.28 1sgi s ILE 103 N 8.10 0.04 0.07 4.11 2.07 -1.26 -3.88 121.20 130.44 1sgi s ILE 103 Ca 0.62 -0.31 -0.16 0.00 -1.41 0.00 0.00 60.65 59.39 1sgi s ILE 103 Cb 0.01 -0.56 0.03 0.00 0.13 0.00 0.00 42.46 42.07 1sgi s ILE 103 CO 0.10 -0.17 0.36 0.00 -1.91 0.00 0.00 174.94 173.32 1sgi s ALA 104 N -0.79 -0.84 0.09 1.50 0.00 -0.23 -2.82 121.76 118.67 1sgi s ALA 104 Ca -0.09 0.07 0.07 0.00 0.00 0.00 0.00 51.96 52.01 1sgi s ALA 104 Cb -0.04 0.44 -0.03 0.00 0.00 0.00 0.00 23.12 23.48 1sgi s ALA 104 CO 0.03 -0.50 -0.19 -0.51 0.00 0.00 0.00 175.76 174.59 1sgi s LEU 105 N -2.29 2.30 -0.05 0.00 1.43 0.11 -1.79 118.68 118.38 1sgi s LEU 105 Ca -0.02 -0.67 -0.00 0.00 -1.03 0.00 0.00 54.13 52.41 1sgi s LEU 105 Cb 0.00 -0.78 0.03 0.00 0.03 0.00 0.00 46.19 45.47 1sgi s LEU 105 CO -0.06 0.02 -0.01 -0.04 0.23 0.00 0.00 176.35 176.49 1sgi s MET 106 N -1.88 0.55 -0.13 1.70 -1.94 -0.45 0.25 119.30 117.41 1sgi s MET 106 Ca 0.04 0.05 -0.17 0.00 -1.71 0.00 0.00 55.69 53.90 1sgi s MET 106 Cb -0.10 -0.76 -0.04 0.00 2.01 0.00 0.00 34.83 35.94 1sgi s MET 106 CO 0.04 -0.18 0.42 0.21 -0.01 0.00 0.00 175.02 175.50 1sgi s LYS 107 N 1.36 4.30 0.40 2.03 2.20 -0.30 -1.19 119.74 128.55 1sgi s LYS 107 Ca -0.05 0.35 -0.23 0.00 -0.36 0.00 0.00 55.97 55.68 1sgi s LYS 107 Cb -0.13 -3.43 -0.10 0.00 -1.51 0.00 0.00 37.83 32.66 1sgi s LYS 107 CO -0.02 0.20 1.00 -0.51 -0.36 0.00 0.00 175.35 175.65 1sgi s LEU 108 N 0.53 4.11 0.46 5.43 1.43 0.19 0.47 118.68 131.31 1sgi s LEU 108 Ca 0.23 1.89 0.13 0.00 -1.03 0.00 0.00 54.13 55.35 1sgi s LEU 108 Cb -0.15 -4.27 1.08 0.00 0.03 0.00 0.00 46.19 42.89 1sgi s LEU 108 CO 0.08 -0.38 2.08 0.11 0.23 0.00 0.00 176.35 178.47 1sgi h LYS 109 N 2.43 0.28 -2.61 1.70 1.57 -1.36 -3.41 116.57 115.17 1sgi h LYS 109 Ca -0.48 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.17 1sgi h LYS 109 Cb 1.20 -0.06 -0.24 0.00 0.08 0.00 0.00 32.23 33.21 1sgi h LYS 109 CO 0.62 0.18 -0.19 -1.59 -0.57 0.00 0.00 179.45 177.91 1sgi s LYS 110 N -5.28 0.52 0.30 3.15 -2.85 -1.26 -4.97 119.74 109.35 1sgi s LYS 110 Ca -0.07 0.67 -0.28 0.00 -1.00 0.00 0.00 55.97 55.29 1sgi s LYS 110 Cb 0.18 0.23 -0.14 0.00 -2.06 0.00 0.00 37.83 36.04 1sgi s LYS 110 CO 0.71 -0.08 0.98 -0.35 0.10 0.00 0.00 175.35 176.72 1sgi n PRO 111 N 3.03 1.30 -3.37 1.78 -0.04 -1.26 -4.93 135.00 131.50 1sgi n PRO 111 Ca -0.15 0.46 -0.32 0.00 -0.04 0.00 0.00 63.50 63.45 1sgi n PRO 111 Cb 0.57 -1.82 -0.05 0.00 -0.04 0.00 0.00 33.50 32.15 1sgi n PRO 111 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1sgi s VAL 112 N -1.08 4.91 -0.24 0.52 0.11 -0.52 -5.02 120.40 119.09 1sgi s VAL 112 Ca 0.59 0.49 -0.18 0.00 -2.93 0.00 0.00 61.98 59.95 1sgi s VAL 112 Cb -0.70 -3.63 -0.03 0.00 -1.53 0.00 0.00 36.38 30.50 1sgi s VAL 112 CO 0.60 -0.11 0.50 0.00 -3.33 0.00 0.00 175.10 172.76 1sgi s ALA 113 N -1.86 3.58 0.59 1.54 0.00 -1.26 -4.87 121.76 119.47 1sgi s ALA 113 Ca 0.48 -0.56 -0.19 0.00 0.00 0.00 0.00 51.96 51.69 1sgi s ALA 113 Cb -0.11 -2.84 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 1sgi s ALA 113 CO 0.22 -0.63 1.20 -0.06 0.00 0.00 0.00 175.76 176.49 1sgi s PHE 114 N 2.05 2.42 0.00 0.00 0.08 -1.26 -4.87 117.98 116.39 1sgi s PHE 114 Ca 0.21 1.51 0.00 0.00 0.12 0.00 0.00 56.93 58.78 1sgi s PHE 114 Cb -0.15 -3.47 0.00 0.00 -0.57 0.00 0.00 43.02 38.82 1sgi s PHE 114 CO 0.09 -2.17 0.00 -1.13 -0.10 0.00 0.00 175.22 171.91 1sgi n SER 115 N -1.53 0.00 -0.07 1.36 3.41 -0.87 -4.93 113.62 111.00 1sgi n SER 115 Ca 0.13 -0.04 0.13 0.00 -0.26 0.00 0.00 58.87 58.83 1sgi n SER 115 Cb 0.50 0.00 0.71 0.00 -0.26 0.00 0.00 64.21 65.16 1sgi n SER 115 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1sgi n ASP 116 N -0.08 0.20 0.00 4.04 8.00 -1.26 -3.21 116.55 124.24 1sgi n ASP 116 Ca 0.00 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.24 1sgi n ASP 116 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 1sgi n ASP 116 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1sgi n TYR 117 N -0.75 0.00 -3.68 1.24 4.01 -1.26 -4.75 117.16 111.97 1sgi n TYR 117 Ca 0.19 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.63 1sgi n TYR 117 Cb 0.12 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.01 1sgi n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1sgi s ILE 118 N -0.51 1.03 -0.00 -0.72 1.01 -1.20 -4.13 121.20 116.68 1sgi s ILE 118 Ca 0.00 -2.05 0.03 0.00 0.00 0.00 0.00 60.65 58.63 1sgi s ILE 118 Cb 0.00 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 1sgi s ILE 118 CO 0.00 -0.84 -0.08 -2.28 0.00 0.00 0.00 174.94 171.74 1sgi s HIS 119 N 0.88 0.73 0.32 3.97 2.46 -0.53 -2.04 115.29 121.08 1sgi s HIS 119 Ca 0.15 -0.15 -0.26 0.00 0.47 0.00 0.00 55.06 55.26 1sgi s HIS 119 Cb -0.22 -0.47 -0.10 0.00 -0.13 0.00 0.00 32.58 31.66 1sgi s HIS 119 CO -0.08 -0.01 0.95 -1.25 -2.47 0.00 0.00 174.74 171.88 1sgi s PRO 120 N -0.26 4.59 0.35 2.88 0.04 -1.26 -1.92 135.00 139.42 1sgi s PRO 120 Ca 0.03 1.34 -0.01 0.00 0.04 0.00 0.00 61.00 62.39 1sgi s PRO 120 Cb -0.03 -2.82 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 1sgi s PRO 120 CO -0.00 0.29 0.58 0.54 0.04 0.00 0.00 177.00 178.44 1sgi s VAL 121 N -1.60 5.06 0.51 -0.36 0.11 -0.68 -4.95 120.40 118.50 1sgi s VAL 121 Ca 0.50 -0.26 -0.07 0.00 -2.93 0.00 0.00 61.98 59.21 1sgi s VAL 121 Cb -0.19 -3.83 -0.04 0.00 -1.53 0.00 0.00 36.38 30.79 1sgi s VAL 121 CO 0.24 -0.54 0.85 0.00 -3.33 0.00 0.00 175.10 172.32 1sgi s LEU 123 N -4.75 4.24 0.44 0.00 1.43 -1.26 -1.56 118.68 117.22 1sgi s LEU 123 Ca 0.50 0.41 -0.24 0.00 -1.03 0.00 0.00 54.13 53.77 1sgi s LEU 123 Cb -0.10 -2.03 -0.08 0.00 0.03 0.00 0.00 46.19 44.01 1sgi s LEU 123 CO 0.46 0.40 1.25 -2.16 0.23 0.00 0.00 176.35 176.53 1sgi s PRO 124 N -0.98 3.78 0.44 1.29 0.04 -1.26 -4.91 135.00 133.40 1sgi s PRO 124 Ca 0.15 2.02 0.07 0.00 0.04 0.00 0.00 61.00 63.28 1sgi s PRO 124 Cb -0.12 -2.57 -0.01 0.00 0.04 0.00 0.00 34.50 31.84 1sgi s PRO 124 CO 0.04 -0.60 0.37 0.16 0.04 0.00 0.00 177.00 177.01 1sgi s ASP 125 N -1.00 4.93 0.15 6.66 3.84 -1.26 -4.83 116.67 125.16 1sgi s ASP 125 Ca 0.61 -0.85 -0.26 0.00 -0.00 0.00 0.00 52.55 52.05 1sgi s ASP 125 Cb -0.35 -0.41 0.00 0.00 -1.38 0.00 0.00 42.92 40.78 1sgi s ASP 125 CO 0.43 -0.72 1.58 -0.09 -0.00 0.00 0.00 175.17 176.37 1sgi h ARG 126 N 1.01 -0.33 -0.45 2.11 2.43 -1.97 -2.43 114.38 114.75 1sgi h ARG 126 Ca -0.41 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 58.84 1sgi h ARG 126 Cb 1.27 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.85 1sgi h ARG 126 CO 0.58 -0.22 0.19 1.49 -1.51 0.00 0.00 179.97 180.50 1sgi h GLU 127 N -0.34 0.37 -0.59 0.20 4.22 -2.04 -0.76 114.58 115.64 1sgi h GLU 127 Ca 0.13 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.55 1sgi h GLU 127 Cb 0.58 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1sgi h GLU 127 CO -0.53 0.24 0.00 2.41 -2.18 0.00 0.00 179.01 178.95 1sgi n THR 128 N -4.97 0.00 0.00 0.32 -1.04 -0.91 -0.70 114.28 106.98 1sgi n THR 128 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1sgi n THR 128 Cb 0.15 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1sgi n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sgi n ALA 129 N 0.64 0.00 0.06 2.41 0.00 -0.29 -0.83 120.51 122.50 1sgi n ALA 129 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1sgi n ALA 129 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1sgi n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1sgi h SER 129 N 0.00 0.39 0.05 0.00 0.02 -1.17 -3.38 113.55 109.46 1sgi h SER 129 Ca 0.00 -0.25 -0.37 0.00 -0.84 0.00 0.00 61.79 60.32 1sgi h SER 129 Cb 0.00 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 1sgi h SER 129 CO 0.00 0.98 -2.16 0.18 -1.14 0.00 0.00 176.83 174.69 1sgi n LEU 129 N -3.83 2.61 -3.84 5.07 7.99 -0.01 -4.69 117.00 120.31 1sgi n LEU 129 Ca -0.04 0.12 -0.40 0.00 -0.01 0.00 0.00 56.01 55.68 1sgi n LEU 129 Cb 0.69 -1.00 -0.06 0.00 -0.11 0.00 0.00 43.42 42.94 1sgi n LEU 129 CO 0.47 0.80 1.94 0.18 -1.51 0.00 0.00 177.39 179.26 1sgi n LEU 130 N -3.58 3.67 -3.84 2.23 4.77 -1.26 -4.78 117.00 114.21 1sgi n LEU 130 Ca -0.40 -2.88 -0.15 0.00 -0.03 0.00 0.00 56.01 52.56 1sgi n LEU 130 Cb 0.97 -1.22 -0.15 0.00 -2.33 0.00 0.00 43.42 40.68 1sgi n LEU 130 CO 0.30 -0.81 -0.37 -1.10 -1.33 0.00 0.00 177.39 174.08 1sgi s GLN 131 N 5.46 0.16 0.22 3.23 -0.21 -1.26 -4.92 119.66 122.34 1sgi s GLN 131 Ca 0.61 0.05 -0.29 0.00 0.02 0.00 0.00 55.36 55.75 1sgi s GLN 131 Cb 0.11 -0.30 -0.16 0.00 1.00 0.00 0.00 33.01 33.66 1sgi s GLN 131 CO 0.14 -0.08 0.82 0.00 -2.12 0.00 0.00 175.29 174.05 1sgi n ALA 132 N 3.74 -1.63 0.00 6.09 0.00 -1.26 -0.90 120.51 126.56 1sgi n ALA 132 Ca -0.22 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1sgi n ALA 132 Cb 0.54 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1sgi n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sgi n GLY 133 N 1.68 2.91 3.76 0.00 0.00 0.31 -4.92 105.19 108.93 1sgi n GLY 133 Ca 0.14 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1sgi n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sgi s TYR 134 N -2.47 3.67 -0.08 1.61 1.51 -0.07 -4.65 117.35 116.88 1sgi s TYR 134 Ca 0.00 1.75 -0.05 0.00 -1.01 0.00 0.00 57.07 57.76 1sgi s TYR 134 Cb 0.00 -3.21 -0.04 0.00 -0.11 0.00 0.00 41.96 38.60 1sgi s TYR 134 CO 0.00 -0.32 0.14 0.15 -1.11 0.00 0.00 175.55 174.41 1sgi s LYS 135 N -1.35 3.39 0.49 -0.62 1.02 -1.26 -0.07 119.74 121.34 1sgi s LYS 135 Ca 0.44 -0.22 0.03 0.00 0.02 0.00 0.00 55.97 56.23 1sgi s LYS 135 Cb -0.31 -3.12 -0.02 0.00 -0.52 0.00 0.00 37.83 33.86 1sgi s LYS 135 CO 0.39 0.74 0.04 0.20 -0.92 0.00 0.00 175.35 175.79 1sgi s GLY 136 N -1.33 2.86 -0.06 -3.33 0.00 0.02 -4.85 107.32 100.62 1sgi s GLY 136 Ca 0.19 -0.87 0.05 0.00 0.00 0.00 0.00 44.72 44.09 1sgi s GLY 136 CO 0.09 -2.15 -0.20 -1.60 0.00 0.00 0.00 173.10 169.23 1sgi s ARG 137 N -3.88 2.24 -0.02 2.90 3.52 0.17 -0.79 118.95 123.09 1sgi s ARG 137 Ca 0.15 -0.73 0.07 0.00 -0.13 0.00 0.00 55.73 55.08 1sgi s ARG 137 Cb 0.03 -1.86 -0.02 0.00 -1.56 0.00 0.00 34.95 31.53 1sgi s ARG 137 CO 0.08 0.26 -0.22 0.08 -0.81 0.00 0.00 175.30 174.69 1sgi s VAL 138 N 0.08 2.40 0.06 7.11 1.01 -0.28 -0.70 120.40 130.09 1sgi s VAL 138 Ca -0.07 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 60.92 1sgi s VAL 138 Cb -0.14 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 1sgi s VAL 138 CO 0.04 0.56 -0.09 0.42 0.00 0.00 0.00 175.10 176.03 1sgi s THR 139 N -0.68 0.69 0.00 3.92 -4.23 -1.25 -1.99 115.64 112.12 1sgi s THR 139 Ca 0.11 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 1sgi s THR 139 Cb -0.10 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.78 1sgi s THR 139 CO -0.00 -0.47 0.00 0.61 -0.54 0.00 0.00 174.62 174.22 1sgi n GLY 140 N 1.06 1.33 1.41 3.99 0.00 -1.08 -4.54 105.19 107.36 1sgi n GLY 140 Ca -0.20 -0.91 0.08 0.00 0.00 0.00 0.00 46.02 44.99 1sgi n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1sgi n TRP 141 N -0.48 1.42 -0.59 1.61 8.01 -1.26 -1.81 117.44 124.33 1sgi n TRP 141 Ca 0.00 -0.70 -0.29 0.00 -1.31 0.00 0.00 57.50 55.20 1sgi n TRP 141 Cb 0.00 -0.31 0.26 0.00 -2.01 0.00 0.00 31.31 29.25 1sgi n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1sgi s GLY 142 N -1.14 1.49 0.80 6.99 0.00 -1.25 -4.52 107.32 109.68 1sgi s GLY 142 Ca 0.47 -0.59 -0.14 0.00 0.00 0.00 0.00 44.72 44.46 1sgi s GLY 142 CO 0.18 0.29 0.86 0.70 0.00 0.00 0.00 173.10 175.12 1sgi n ASN 143 N -5.19 -0.14 0.04 1.64 3.02 0.93 -2.70 115.26 112.87 1sgi n ASN 143 Ca 0.09 0.56 0.12 0.00 -0.03 0.00 0.00 54.58 55.31 1sgi n ASN 143 Cb 0.58 -1.37 0.19 0.00 -0.61 0.00 0.00 39.78 38.57 1sgi n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1sgi n LEU 144 N -1.95 0.62 -3.51 3.41 4.77 0.04 0.86 117.00 121.24 1sgi n LEU 144 Ca 0.11 0.15 -0.11 0.00 -0.03 0.00 0.00 56.01 56.13 1sgi n LEU 144 Cb 0.51 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1sgi n LEU 144 CO 0.49 0.00 0.33 -1.59 -1.33 0.00 0.00 177.39 175.29 1sgi s LYS 145 N -3.12 1.25 0.35 3.23 -2.85 -1.26 -4.02 119.74 113.30 1sgi s LYS 145 Ca 0.07 -0.58 -0.28 0.00 -1.00 0.00 0.00 55.97 54.18 1sgi s LYS 145 Cb 0.15 0.55 -0.12 0.00 -2.06 0.00 0.00 37.83 36.35 1sgi s LYS 145 CO 0.72 -0.53 1.39 -1.91 0.10 0.00 0.00 175.35 175.11 1sgi n GLU 146 N -0.34 2.35 0.00 1.78 2.13 -1.26 -4.94 120.64 120.37 1sgi n GLU 146 Ca -0.16 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.49 1sgi n GLU 146 Cb 0.64 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.87 1sgi n GLU 146 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1sgi n THR 147 N 0.58 0.00 0.00 6.31 5.66 -1.26 -5.05 114.28 120.52 1sgi n THR 147 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1sgi n THR 147 Cb 0.37 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.15 1sgi n THR 147 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1sgi n GLY 150 N 0.00 1.34 3.72 1.09 0.00 -1.26 -5.22 105.19 104.86 1sgi n GLY 150 Ca 0.00 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1sgi n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sgi s GLN 151 N 0.00 4.21 0.76 1.61 -0.21 -1.26 -0.78 119.66 123.99 1sgi s GLN 151 Ca 0.00 -0.07 -0.11 0.00 0.02 0.00 0.00 55.36 55.20 1sgi s GLN 151 Cb 0.00 -3.44 0.05 0.00 1.00 0.00 0.00 33.01 30.62 1sgi s GLN 151 CO 0.00 0.24 1.10 -1.25 -2.12 0.00 0.00 175.29 173.26 1sgi s PRO 152 N 0.50 2.41 0.12 2.91 0.04 -1.26 -4.96 135.00 134.76 1sgi s PRO 152 Ca 0.12 0.58 0.23 0.00 0.04 0.00 0.00 61.00 61.97 1sgi s PRO 152 Cb -0.12 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1sgi s PRO 152 CO 0.01 -1.38 0.96 -1.13 0.04 0.00 0.00 177.00 175.50 1sgi n SER 153 N -3.26 0.64 -4.10 6.66 3.41 -1.26 -4.64 113.62 111.06 1sgi n SER 153 Ca 0.07 0.14 -0.09 0.00 -0.26 0.00 0.00 58.87 58.73 1sgi n SER 153 Cb 0.56 0.78 -0.10 0.00 -0.26 0.00 0.00 64.21 65.19 1sgi n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1sgi s VAL 154 N -3.34 0.42 0.16 -3.33 1.01 -1.26 -0.47 120.40 113.59 1sgi s VAL 154 Ca -0.00 -1.67 -0.34 0.00 0.00 0.00 0.00 61.98 59.97 1sgi s VAL 154 Cb 0.12 -1.33 -0.15 0.00 0.00 0.00 0.00 36.38 35.01 1sgi s VAL 154 CO 0.81 -0.83 1.35 -0.11 0.00 0.00 0.00 175.10 176.33 1sgi n LEU 155 N 0.38 2.24 -4.97 3.92 7.94 0.73 -4.82 117.00 122.41 1sgi n LEU 155 Ca -0.15 1.12 -0.21 0.00 -1.11 0.00 0.00 56.01 55.66 1sgi n LEU 155 Cb 0.60 -1.30 -0.01 0.00 0.53 0.00 0.00 43.42 43.23 1sgi n LEU 155 CO 0.27 -0.84 0.04 -1.10 -1.11 0.00 0.00 177.39 174.65 1sgi s GLN 156 N 0.12 3.32 -0.00 1.96 -1.52 -0.75 -0.59 119.66 122.20 1sgi s GLN 156 Ca 0.76 -0.78 -0.12 0.00 -1.95 0.00 0.00 55.36 53.27 1sgi s GLN 156 Cb -0.80 -2.82 0.01 0.00 -0.22 0.00 0.00 33.01 29.18 1sgi s GLN 156 CO 0.47 0.24 0.25 0.54 -0.25 0.00 0.00 175.29 176.53 1sgi s VAL 157 N -2.11 0.07 -0.27 1.09 0.11 -0.49 -2.62 120.40 116.16 1sgi s VAL 157 Ca 0.39 -0.57 -0.24 0.00 -2.93 0.00 0.00 61.98 58.63 1sgi s VAL 157 Cb -0.09 -0.57 0.09 0.00 -1.53 0.00 0.00 36.38 34.28 1sgi s VAL 157 CO 0.31 -0.31 0.81 0.54 -3.33 0.00 0.00 175.10 173.12 1sgi s VAL 158 N -1.42 0.00 -0.17 2.04 0.11 -0.84 -1.44 120.40 118.68 1sgi s VAL 158 Ca -0.14 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.83 1sgi s VAL 158 Cb -0.06 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.75 1sgi s VAL 158 CO 0.03 0.00 0.10 0.20 -3.33 0.00 0.00 175.10 172.10 1sgi s ASN 159 N 0.49 6.02 0.01 3.54 0.01 -1.26 -1.12 114.94 122.62 1sgi s ASN 159 Ca -0.00 0.23 0.03 0.00 -0.71 0.00 0.00 52.86 52.41 1sgi s ASN 159 Cb -0.05 -2.02 -0.01 0.00 0.41 0.00 0.00 41.25 39.58 1sgi s ASN 159 CO -0.03 0.23 -0.10 -0.76 -1.51 0.00 0.00 177.10 174.92 1sgi s LEU 160 N 0.03 2.08 0.19 0.60 1.43 0.03 -4.93 118.68 118.11 1sgi s LEU 160 Ca 0.08 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.61 1sgi s LEU 160 Cb -0.12 -0.48 -0.08 0.00 0.03 0.00 0.00 46.19 45.54 1sgi s LEU 160 CO -0.00 0.07 0.95 -2.16 0.23 0.00 0.00 176.35 175.44 1sgi s PRO 161 N -0.56 4.80 0.25 1.29 0.04 -1.26 -0.80 135.00 138.75 1sgi s PRO 161 Ca 0.02 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.25 1sgi s PRO 161 Cb -0.05 -3.31 -0.09 0.00 0.04 0.00 0.00 34.50 31.08 1sgi s PRO 161 CO 0.00 0.40 1.25 0.42 0.04 0.00 0.00 177.00 179.11 1sgi s ILE 162 N -0.74 3.16 0.00 0.56 1.01 0.89 -0.66 121.20 125.43 1sgi s ILE 162 Ca 0.43 1.05 -0.00 0.00 0.00 0.00 0.00 60.65 62.14 1sgi s ILE 162 Cb -0.25 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 1sgi s ILE 162 CO 0.31 0.21 0.08 -0.69 0.00 0.00 0.00 174.94 174.85 1sgi s VAL 163 N -0.53 4.70 0.38 2.92 1.01 0.07 -0.53 120.40 128.43 1sgi s VAL 163 Ca 0.51 -0.45 -0.27 0.00 0.00 0.00 0.00 61.98 61.78 1sgi s VAL 163 Cb -0.36 -3.16 -0.09 0.00 0.00 0.00 0.00 36.38 32.77 1sgi s VAL 163 CO 0.43 0.33 1.27 -1.83 0.00 0.00 0.00 175.10 175.29 1sgi s GLU 164 N -1.80 4.10 0.21 2.72 1.03 -1.26 -4.55 118.70 119.14 1sgi s GLU 164 Ca 0.24 2.09 -0.20 0.00 0.03 0.00 0.00 54.97 57.12 1sgi s GLU 164 Cb -0.12 -2.83 0.16 0.00 -0.80 0.00 0.00 34.13 30.54 1sgi s GLU 164 CO 0.15 -0.36 1.56 0.00 -1.33 0.00 0.00 175.26 175.28 1sgi h ARG 165 N 2.87 -0.07 -0.77 -4.83 -0.00 -1.98 -1.33 114.38 108.27 1sgi h ARG 165 Ca -0.49 0.00 0.18 0.00 -0.50 0.00 0.00 59.98 59.17 1sgi h ARG 165 Cb 1.24 0.02 -0.12 0.00 0.00 0.00 0.00 29.97 31.10 1sgi h ARG 165 CO 0.63 -0.05 0.17 -1.35 0.00 0.00 0.00 179.97 179.38 1sgi h PRO 166 N -0.07 0.23 -0.26 0.04 0.11 -1.99 0.21 132.00 130.27 1sgi h PRO 166 Ca 0.28 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.22 1sgi h PRO 166 Cb 0.57 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 1sgi h PRO 166 CO -0.87 0.16 -0.48 0.28 -0.21 0.00 0.00 178.00 176.88 1sgi h VAL 167 N 0.24 1.30 0.21 3.15 2.07 -1.64 -1.76 116.25 119.82 1sgi h VAL 167 Ca 0.45 -1.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 1sgi h VAL 167 Cb 0.80 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1sgi h VAL 167 CO -0.56 0.54 -0.10 0.00 0.02 0.00 0.00 177.57 177.46 1sgi h LYS 169 N -0.40 1.05 0.00 0.00 3.64 -0.64 -2.46 116.57 117.76 1sgi h LYS 169 Ca -0.03 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1sgi h LYS 169 Cb 0.30 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1sgi h LYS 169 CO 0.05 0.70 0.00 -0.25 -2.27 0.00 0.00 179.45 177.67 1sgi n ASP 170 N -4.56 0.00 -0.17 4.20 10.43 -0.67 -3.49 116.55 122.30 1sgi n ASP 170 Ca 0.14 0.45 0.13 0.00 2.57 0.00 0.00 54.79 58.08 1sgi n ASP 170 Cb 0.18 -0.48 0.42 0.00 1.84 0.00 0.00 41.12 43.07 1sgi n ASP 170 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1sgi n SER 171 N -1.48 0.79 -3.91 -2.24 3.41 -0.93 -4.92 113.62 104.34 1sgi n SER 171 Ca 0.07 -0.68 -0.09 0.00 -0.26 0.00 0.00 58.87 57.91 1sgi n SER 171 Cb 0.32 0.09 -0.08 0.00 -0.26 0.00 0.00 64.21 64.28 1sgi n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1sgi s THR 172 N -2.58 0.15 -0.44 6.66 -1.32 -1.23 -4.78 115.64 112.10 1sgi s THR 172 Ca 0.23 -1.20 0.23 0.00 -1.21 0.00 0.00 61.69 59.74 1sgi s THR 172 Cb 0.19 -1.15 -0.02 0.00 -1.51 0.00 0.00 72.50 70.00 1sgi s THR 172 CO 0.54 -0.66 1.11 0.54 -2.21 0.00 0.00 174.62 173.93 1sgi n ARG 173 N 0.35 0.43 -2.13 7.08 1.74 -1.26 -4.90 116.66 117.98 1sgi n ARG 173 Ca -0.17 0.07 -0.38 0.00 -0.77 0.00 0.00 57.85 56.60 1sgi n ARG 173 Cb 0.60 -1.72 -0.00 0.00 -1.02 0.00 0.00 32.46 30.32 1sgi n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1sgi s ILE 174 N -3.27 2.80 -0.06 0.55 1.01 -1.26 -4.94 121.20 116.03 1sgi s ILE 174 Ca 0.02 0.66 -0.30 0.00 0.00 0.00 0.00 60.65 61.03 1sgi s ILE 174 Cb 0.12 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 1sgi s ILE 174 CO 0.78 0.04 1.34 -0.60 0.00 0.00 0.00 174.94 176.50 1sgi s ARG 175 N -2.48 4.28 0.29 2.79 3.52 -1.26 -5.01 118.95 121.07 1sgi s ARG 175 Ca 0.61 1.83 -0.09 0.00 -0.13 0.00 0.00 55.73 57.95 1sgi s ARG 175 Cb -0.34 -3.66 -0.07 0.00 -1.56 0.00 0.00 34.95 29.32 1sgi s ARG 175 CO 0.42 -0.60 0.61 0.42 -0.81 0.00 0.00 175.30 175.34 1sgi s ILE 176 N 2.81 4.91 0.27 4.11 1.09 -1.26 -4.87 121.20 128.25 1sgi s ILE 176 Ca 0.60 0.43 0.04 0.00 -1.10 0.00 0.00 60.65 60.62 1sgi s ILE 176 Cb -0.27 -3.67 -0.06 0.00 -1.06 0.00 0.00 42.46 37.40 1sgi s ILE 176 CO 0.22 -0.23 0.02 -0.89 -0.10 0.00 0.00 174.94 173.96 1sgi s THR 177 N -2.01 1.08 -1.42 2.92 2.01 -1.26 -5.02 115.64 111.95 1sgi s THR 177 Ca 0.48 -2.03 0.30 0.00 0.31 0.00 0.00 61.69 60.75 1sgi s THR 177 Cb -0.11 -2.51 0.51 0.00 0.01 0.00 0.00 72.50 70.40 1sgi s THR 177 CO 0.25 -0.19 2.04 0.47 -0.69 0.00 0.00 174.62 176.49 1sgi n ASP 178 N -0.51 0.00 -1.40 3.53 8.00 -1.26 -2.83 116.55 122.07 1sgi n ASP 178 Ca -0.04 -0.12 -0.01 0.00 0.71 0.00 0.00 54.79 55.33 1sgi n ASP 178 Cb 0.65 -0.29 0.19 0.00 -0.02 0.00 0.00 41.12 41.65 1sgi n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1sgi n ASN 179 N -1.29 3.61 -3.54 -2.24 3.02 -1.26 -4.84 115.26 108.72 1sgi n ASN 179 Ca 0.14 -2.63 -0.16 0.00 -0.03 0.00 0.00 54.58 51.90 1sgi n ASN 179 Cb 0.24 -0.63 -0.05 0.00 -0.61 0.00 0.00 39.78 38.72 1sgi n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sgi s MET 180 N -1.95 1.05 0.10 3.52 0.23 -1.13 -1.62 119.30 119.50 1sgi s MET 180 Ca 0.31 0.00 -0.01 0.00 -1.03 0.00 0.00 55.69 54.97 1sgi s MET 180 Cb 0.24 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 33.99 1sgi s MET 180 CO 0.08 -0.36 0.01 -0.59 -2.03 0.00 0.00 175.02 172.14 1sgi s PHE 181 N -1.85 0.75 0.16 3.16 -0.12 -0.46 -4.75 117.98 114.88 1sgi s PHE 181 Ca -0.08 -1.15 0.09 0.00 -0.05 0.00 0.00 56.93 55.74 1sgi s PHE 181 Cb -0.01 -0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 41.88 1sgi s PHE 181 CO 0.04 -0.43 -0.19 0.00 -0.05 0.00 0.00 175.22 174.58 1sgi s ALA 183 N -1.91 0.35 0.00 0.00 0.00 -0.52 -0.75 121.76 118.93 1sgi s ALA 183 Ca 0.15 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1sgi s ALA 183 Cb -0.06 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.37 1sgi s ALA 183 CO 0.07 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1sgi n GLY 184 N 0.07 3.50 3.85 0.00 0.00 0.17 -2.09 105.19 110.68 1sgi n GLY 184 Ca -0.14 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 1sgi n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sgi s TYR 184 N -2.02 3.42 0.59 1.61 2.02 -1.26 -4.42 117.35 117.28 1sgi s TYR 184 Ca 0.00 1.15 -0.10 0.00 -0.37 0.00 0.00 57.07 57.75 1sgi s TYR 184 Cb 0.00 -2.47 -0.04 0.00 -0.40 0.00 0.00 41.96 39.05 1sgi s TYR 184 CO 0.00 0.17 0.98 0.15 -1.57 0.00 0.00 175.55 175.28 1sgi s LYS 185 N -2.80 3.61 0.14 -0.62 1.02 -1.26 -4.86 119.74 114.97 1sgi s LYS 185 Ca 0.51 0.65 -0.24 0.00 0.02 0.00 0.00 55.97 56.91 1sgi s LYS 185 Cb -0.11 -2.14 -0.01 0.00 -0.52 0.00 0.00 37.83 35.05 1sgi s LYS 185 CO 0.19 -0.48 1.63 -1.35 -0.92 0.00 0.00 175.35 174.41 1sgi h PRO 186 N -0.14 -0.31 0.00 -1.68 0.11 -1.96 -1.29 132.00 126.72 1sgi h PRO 186 Ca -0.45 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1sgi h PRO 186 Cb 1.19 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1sgi h PRO 186 CO 0.62 -0.21 0.00 -0.40 -0.21 0.00 0.00 178.00 177.80 1sgi n ASP 186 N -5.38 0.00 -4.90 -2.05 5.68 -1.26 -4.72 116.55 103.92 1sgi n ASP 186 Ca -0.03 0.11 -0.29 0.00 -0.50 0.00 0.00 54.79 54.09 1sgi n ASP 186 Cb 0.30 -0.24 0.02 0.00 -1.14 0.00 0.00 41.12 40.06 1sgi n ASP 186 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1sgi s GLU 186 N -2.49 3.20 0.00 0.11 2.02 -0.49 -5.00 118.70 116.05 1sgi s GLU 186 Ca 0.08 0.33 0.30 0.00 0.02 0.00 0.00 54.97 55.69 1sgi s GLU 186 Cb 0.05 -2.19 1.40 0.00 0.10 0.00 0.00 34.13 33.49 1sgi s GLU 186 CO 0.11 -0.64 1.96 0.41 0.02 0.00 0.00 175.26 177.13 1sgi n GLY 186 N -2.65 -1.03 3.68 -1.39 0.00 -1.26 -4.91 105.19 97.63 1sgi n GLY 186 Ca 0.05 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 1sgi n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgi s LYS 186 N -2.43 2.06 0.07 1.61 1.02 -1.26 -5.16 119.74 115.66 1sgi s LYS 186 Ca 0.32 -2.18 0.01 0.00 0.02 0.00 0.00 55.97 54.14 1sgi s LYS 186 Cb 0.20 -1.65 -0.01 0.00 -0.52 0.00 0.00 37.83 35.86 1sgi s LYS 186 CO 0.45 -0.17 0.05 0.54 -0.92 0.00 0.00 175.35 175.31 1sgi n ARG 187 N -1.10 0.22 0.00 1.68 1.74 -1.26 -4.72 116.66 113.22 1sgi n ARG 187 Ca -0.09 -0.70 0.00 0.00 -0.77 0.00 0.00 57.85 56.29 1sgi n ARG 187 Cb 0.67 0.54 0.00 0.00 -1.02 0.00 0.00 32.46 32.64 1sgi n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sgi n GLY 188 N 0.18 3.77 0.00 -0.13 0.00 -1.26 -4.88 105.19 102.87 1sgi n GLY 188 Ca 0.01 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1sgi n GLY 188 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sgi n ASP 189 N 0.00 0.00 -4.91 1.61 2.03 -1.09 -4.72 116.55 109.47 1sgi n ASP 189 Ca 0.00 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.04 1sgi n ASP 189 Cb 0.00 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.44 1sgi n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sgi s ALA 190 N -2.00 3.21 0.29 -1.67 0.00 -1.26 -0.29 121.76 120.03 1sgi s ALA 190 Ca 0.00 -0.67 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 1sgi s ALA 190 Cb 0.00 -2.68 0.02 0.00 0.00 0.00 0.00 23.12 20.46 1sgi s ALA 190 CO 0.00 -0.93 0.46 0.00 0.00 0.00 0.00 175.76 175.29 1sgi n GLU 192 N -0.45 0.61 0.00 0.00 1.02 -1.26 -0.76 120.64 119.80 1sgi n GLU 192 Ca -0.02 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1sgi n GLU 192 Cb 0.47 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1sgi n GLU 192 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sgi n GLY 193 N 2.93 3.14 0.03 0.62 0.00 -1.26 -0.05 105.19 110.61 1sgi n GLY 193 Ca 0.23 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.37 1sgi n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sgi n ASP 194 N 0.00 0.61 -4.63 1.61 8.00 0.06 -3.48 116.55 118.73 1sgi n ASP 194 Ca 0.00 -0.10 -0.46 0.00 0.71 0.00 0.00 54.79 54.94 1sgi n ASP 194 Cb 0.00 0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 41.43 1sgi n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1sgi n SER 195 N -1.86 2.02 0.00 -2.24 7.64 -1.26 -0.97 113.62 116.96 1sgi n SER 195 Ca 0.04 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.07 1sgi n SER 195 Cb 0.40 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 1sgi n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sgi n GLY 196 N 1.93 3.20 3.67 0.23 0.00 -0.21 0.06 105.19 114.07 1sgi n GLY 196 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1sgi n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sgi s GLY 197 N -2.33 1.64 0.29 -0.02 0.00 -0.14 -3.47 107.32 103.29 1sgi s GLY 197 Ca 0.00 0.22 -0.11 0.00 0.00 0.00 0.00 44.72 44.84 1sgi s GLY 197 CO 0.00 0.70 0.64 2.56 0.00 0.00 0.00 173.10 176.99 1sgi s PRO 198 N -4.75 3.83 -0.26 2.90 0.04 -1.26 -0.74 135.00 134.76 1sgi s PRO 198 Ca 0.65 0.38 -0.01 0.00 0.04 0.00 0.00 61.00 62.06 1sgi s PRO 198 Cb -0.21 -2.55 0.04 0.00 0.04 0.00 0.00 34.50 31.82 1sgi s PRO 198 CO 0.58 0.20 -0.06 0.12 0.04 0.00 0.00 177.00 177.88 1sgi s PHE 199 N -1.99 3.12 0.27 0.56 2.19 0.43 -3.74 117.98 118.83 1sgi s PHE 199 Ca 0.49 -1.73 0.11 0.00 0.33 0.00 0.00 56.93 56.14 1sgi s PHE 199 Cb -0.11 -2.04 -0.05 0.00 -1.31 0.00 0.00 43.02 39.51 1sgi s PHE 199 CO 0.23 -0.77 -0.13 0.14 1.83 0.00 0.00 175.22 176.52 1sgi s VAL 200 N 1.28 2.82 -0.01 3.12 -7.23 0.12 -0.37 120.40 120.12 1sgi s VAL 200 Ca -0.02 -2.21 -0.02 0.00 -1.81 0.00 0.00 61.98 57.92 1sgi s VAL 200 Cb -0.18 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.28 1sgi s VAL 200 CO -0.04 -0.38 0.05 -0.04 -0.31 0.00 0.00 175.10 174.38 1sgi s MET 201 N -3.53 0.14 -0.33 4.82 -1.94 0.09 0.45 119.30 118.99 1sgi s MET 201 Ca 0.30 -0.08 -0.15 0.00 -1.71 0.00 0.00 55.69 54.06 1sgi s MET 201 Cb -0.06 0.06 -0.02 0.00 2.01 0.00 0.00 34.83 36.82 1sgi s MET 201 CO 0.17 -0.02 0.34 0.21 -0.01 0.00 0.00 175.02 175.71 1sgi s LYS 202 N -0.33 3.61 -0.28 2.03 2.20 -1.26 -0.42 119.74 125.29 1sgi s LYS 202 Ca -0.04 -0.40 -0.29 0.00 -0.36 0.00 0.00 55.97 54.89 1sgi s LYS 202 Cb -0.03 -3.79 -0.02 0.00 -1.51 0.00 0.00 37.83 32.49 1sgi s LYS 202 CO 0.00 -0.48 1.64 0.45 -0.36 0.00 0.00 175.35 176.60 1sgi s SER 203 N 1.73 6.23 0.42 1.43 0.15 0.00 -4.87 113.70 118.79 1sgi s SER 203 Ca 0.11 1.41 0.15 0.00 0.70 0.00 0.00 55.95 58.33 1sgi s SER 203 Cb -0.17 -2.53 1.04 0.00 -1.71 0.00 0.00 66.02 62.65 1sgi s SER 203 CO 0.11 -1.42 1.91 -0.65 1.20 0.00 0.00 173.24 174.40 1sgi h PRO 204 N 11.37 0.42 0.00 5.44 0.11 -1.94 0.48 132.00 147.88 1sgi h PRO 204 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1sgi h PRO 204 Cb 1.15 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1sgi h PRO 204 CO 1.02 0.28 0.00 0.34 -0.21 0.00 0.00 178.00 179.43 1sgi n PHE 204 N -4.49 0.00 0.67 0.65 7.35 -1.26 -3.99 117.46 116.39 1sgi n PHE 204 Ca 0.15 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.94 1sgi n PHE 204 Cb 0.54 -0.33 0.27 0.00 0.35 0.00 0.00 39.48 40.31 1sgi n PHE 204 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 1sgi n ASN 204 N -1.50 2.54 0.00 -2.13 0.23 -1.20 -4.96 115.26 108.24 1sgi n ASN 204 Ca 0.00 -1.90 0.00 0.00 -0.53 0.00 0.00 54.58 52.15 1sgi n ASN 204 Cb 0.00 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 37.47 1sgi n ASN 204 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1sgi n ASN 205 N 0.89 -4.33 -4.92 0.53 5.03 0.17 -4.98 115.26 107.64 1sgi n ASN 205 Ca 0.17 0.00 -0.26 0.00 0.87 0.00 0.00 54.58 55.36 1sgi n ASN 205 Cb 0.44 -3.02 0.01 0.00 -1.02 0.00 0.00 39.78 36.19 1sgi n ASN 205 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1sgi s ARG 206 N -1.61 3.25 -0.17 3.52 0.52 -1.24 -4.75 118.95 118.47 1sgi s ARG 206 Ca 0.00 -0.02 -0.11 0.00 -0.52 0.00 0.00 55.73 55.08 1sgi s ARG 206 Cb 0.00 -2.39 -0.05 0.00 0.52 0.00 0.00 34.95 33.03 1sgi s ARG 206 CO 0.00 -0.35 0.20 -1.58 0.02 0.00 0.00 175.30 173.58 1sgi s TRP 207 N -2.76 3.46 0.01 -0.53 0.52 -1.26 -0.82 118.94 117.57 1sgi s TRP 207 Ca 0.49 0.47 0.07 0.00 0.02 0.00 0.00 56.10 57.15 1sgi s TRP 207 Cb -0.10 -2.20 -0.03 0.00 -1.15 0.00 0.00 33.47 29.99 1sgi s TRP 207 CO 0.43 0.35 -0.20 0.71 0.02 0.00 0.00 176.95 178.26 1sgi s TYR 208 N 0.16 2.51 -0.45 -1.98 1.51 0.44 -2.42 117.35 117.12 1sgi s TYR 208 Ca 0.12 -0.29 -0.20 0.00 -1.01 0.00 0.00 57.07 55.69 1sgi s TYR 208 Cb -0.12 -1.49 0.03 0.00 -0.11 0.00 0.00 41.96 40.27 1sgi s TYR 208 CO 0.01 0.17 0.63 -1.14 -1.11 0.00 0.00 175.55 174.11 1sgi s GLN 209 N -1.12 3.25 -0.01 -0.62 0.74 -0.60 -0.73 119.66 120.56 1sgi s GLN 209 Ca 0.13 -0.45 0.14 0.00 0.05 0.00 0.00 55.36 55.22 1sgi s GLN 209 Cb -0.10 -3.97 -0.20 0.00 1.10 0.00 0.00 33.01 29.84 1sgi s GLN 209 CO 0.03 -1.03 0.72 0.52 -0.55 0.00 0.00 175.29 174.98 1sgi h MET 210 N 8.89 0.00 -4.23 1.67 2.86 -1.05 -3.37 114.93 119.70 1sgi h MET 210 Ca -0.26 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.15 1sgi h MET 210 Cb 1.10 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.65 1sgi h MET 210 CO 0.90 0.44 -0.33 0.20 1.06 0.00 0.00 176.91 179.18 1sgi s GLY 211 N -5.01 1.32 -0.07 8.32 0.00 -0.86 -1.94 107.32 109.08 1sgi s GLY 211 Ca -0.04 -1.47 0.02 0.00 0.00 0.00 0.00 44.72 43.23 1sgi s GLY 211 CO 0.82 -1.07 -0.12 -0.42 0.00 0.00 0.00 173.10 172.30 1sgi s ILE 212 N -3.68 1.16 -0.18 0.90 1.01 -1.07 -0.43 121.20 118.91 1sgi s ILE 212 Ca 0.32 -0.49 -0.32 0.00 0.00 0.00 0.00 60.65 60.17 1sgi s ILE 212 Cb 0.02 -1.07 -0.09 0.00 0.01 0.00 0.00 42.46 41.33 1sgi s ILE 212 CO 0.16 0.36 2.10 0.52 0.00 0.00 0.00 174.94 178.08 1sgi n VAL 213 N 3.89 0.42 -0.03 2.92 0.31 0.08 -0.72 118.33 125.20 1sgi n VAL 213 Ca -0.22 -0.28 -0.05 0.00 -0.01 0.00 0.00 64.34 63.78 1sgi n VAL 213 Cb 0.52 -2.14 -0.02 0.00 -0.91 0.00 0.00 33.84 31.29 1sgi n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1sgi n SER 214 N 9.44 1.46 -3.40 4.52 2.88 -0.55 -1.04 113.62 126.93 1sgi n SER 214 Ca 0.29 0.23 -0.07 0.00 -1.33 0.00 0.00 58.87 58.00 1sgi n SER 214 Cb 0.35 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 1sgi n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1sgi s TRP 215 N -2.41 -0.02 0.01 0.66 1.48 -0.93 -4.91 118.94 112.82 1sgi s TRP 215 Ca -0.16 -0.50 -0.12 0.00 -1.06 0.00 0.00 56.10 54.25 1sgi s TRP 215 Cb 0.02 0.76 0.04 0.00 -1.16 0.00 0.00 33.47 33.13 1sgi s TRP 215 CO 0.24 -1.30 0.56 0.41 -4.06 0.00 0.00 176.95 172.81 1sgi n GLY 216 N -0.52 0.55 2.97 3.67 0.00 -1.26 -0.18 105.19 110.42 1sgi n GLY 216 Ca -0.06 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 1sgi n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sgi s GLU 217 N -2.01 1.49 1.72 1.61 2.02 -1.26 -5.03 118.70 117.24 1sgi s GLU 217 Ca 0.13 -1.54 0.00 0.00 0.02 0.00 0.00 54.97 53.58 1sgi s GLU 217 Cb -0.01 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.35 1sgi s GLU 217 CO 0.00 -0.84 0.00 0.41 0.02 0.00 0.00 175.26 174.85 1sgi n GLY 219 N 4.43 -1.43 2.89 -1.39 0.00 -1.26 -4.80 105.19 103.63 1sgi n GLY 219 Ca -0.02 -1.28 -0.21 0.00 0.00 0.00 0.00 46.02 44.51 1sgi n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sgi n ASP 221 N 4.23 -3.72 -4.49 0.00 2.03 -1.26 -4.52 116.55 108.82 1sgi n ASP 221 Ca -0.21 -0.99 -0.33 0.00 0.52 0.00 0.00 54.79 53.78 1sgi n ASP 221 Cb 0.51 -3.40 -0.13 0.00 -0.72 0.00 0.00 41.12 37.38 1sgi n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1sgi s ARG 221 N -6.09 2.52 0.24 -0.67 0.52 -1.26 -4.95 118.95 109.25 1sgi s ARG 221 Ca 0.31 -0.69 -0.31 0.00 -0.52 0.00 0.00 55.73 54.52 1sgi s ARG 221 Cb -0.11 -2.40 -0.13 0.00 0.52 0.00 0.00 34.95 32.83 1sgi s ARG 221 CO 0.86 0.63 1.45 -0.25 0.02 0.00 0.00 175.30 178.01 1sgi n ASP 222 N 2.25 2.92 0.00 0.23 10.43 -1.26 -1.26 116.55 129.85 1sgi n ASP 222 Ca -0.17 1.13 0.00 0.00 2.57 0.00 0.00 54.79 58.32 1sgi n ASP 222 Cb 0.52 -1.45 0.00 0.00 1.84 0.00 0.00 41.12 42.04 1sgi n ASP 222 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1sgi n GLY 223 N 2.32 1.38 3.76 0.44 0.00 -1.26 -5.02 105.19 106.82 1sgi n GLY 223 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1sgi n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgi s LYS 224 N -0.19 2.73 0.07 1.61 3.01 -0.39 -4.69 119.74 121.88 1sgi s LYS 224 Ca 0.00 -1.11 -0.06 0.00 -1.01 0.00 0.00 55.97 53.79 1sgi s LYS 224 Cb 0.00 -2.46 -0.02 0.00 -1.01 0.00 0.00 37.83 34.34 1sgi s LYS 224 CO 0.00 0.41 0.10 0.71 0.51 0.00 0.00 175.35 177.08 1sgi s TYR 225 N -2.08 0.28 0.05 3.18 2.02 -1.26 -4.73 117.35 114.81 1sgi s TYR 225 Ca 0.32 -0.74 -0.16 0.00 -0.37 0.00 0.00 57.07 56.12 1sgi s TYR 225 Cb -0.08 -0.19 -0.06 0.00 -0.40 0.00 0.00 41.96 41.23 1sgi s TYR 225 CO 0.23 -0.46 0.48 0.20 -1.57 0.00 0.00 175.55 174.43 1sgi s GLY 226 N -2.76 2.54 -0.10 0.71 0.00 -0.89 -4.56 107.32 102.26 1sgi s GLY 226 Ca 0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 44.72 44.61 1sgi s GLY 226 CO -0.10 0.24 0.00 -1.36 0.00 0.00 0.00 173.10 171.88 1sgi s PHE 227 N -1.16 3.15 0.04 1.90 0.40 0.74 -1.44 117.98 121.62 1sgi s PHE 227 Ca 0.28 0.13 0.07 0.00 -0.60 0.00 0.00 56.93 56.81 1sgi s PHE 227 Cb -0.17 -1.83 -0.02 0.00 0.51 0.00 0.00 43.02 41.50 1sgi s PHE 227 CO 0.16 0.39 -0.20 0.71 0.70 0.00 0.00 175.22 176.98 1sgi s TYR 228 N -0.64 1.76 0.17 0.36 1.51 0.67 -1.49 117.35 119.68 1sgi s TYR 228 Ca 0.10 -0.37 -0.31 0.00 -1.01 0.00 0.00 57.07 55.49 1sgi s TYR 228 Cb -0.12 -1.06 -0.09 0.00 -0.11 0.00 0.00 41.96 40.59 1sgi s TYR 228 CO 0.02 0.07 1.44 0.99 -1.11 0.00 0.00 175.55 176.97 1sgi s THR 229 N -0.77 2.96 -0.99 -0.71 2.01 0.10 -1.35 115.64 116.89 1sgi s THR 229 Ca 0.07 0.72 -0.23 0.00 0.31 0.00 0.00 61.69 62.56 1sgi s THR 229 Cb -0.09 -3.46 0.05 0.00 0.01 0.00 0.00 72.50 69.01 1sgi s THR 229 CO 0.01 0.07 1.42 -2.28 -0.69 0.00 0.00 174.62 173.16 1sgi s HIS 230 N 0.77 2.53 0.15 4.92 2.46 -0.64 -2.59 115.29 122.88 1sgi s HIS 230 Ca 0.64 -0.80 -0.25 0.00 0.47 0.00 0.00 55.06 55.12 1sgi s HIS 230 Cb -0.40 -4.68 0.00 0.00 -0.13 0.00 0.00 32.58 27.38 1sgi s HIS 230 CO 0.34 -1.93 1.60 0.28 -2.47 0.00 0.00 174.74 172.56 1sgi h VAL 231 N 6.70 0.26 -0.74 0.89 2.07 -1.71 -2.83 116.25 120.89 1sgi h VAL 231 Ca 0.16 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.81 1sgi h VAL 231 Cb 1.01 0.26 -0.09 0.00 -1.52 0.00 0.00 31.29 30.95 1sgi h VAL 231 CO 1.41 0.00 0.32 0.15 0.02 0.00 0.00 177.57 179.46 1sgi h PHE 232 N -0.35 0.55 0.00 1.57 3.57 -1.86 0.08 116.94 120.49 1sgi h PHE 232 Ca 0.12 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1sgi h PHE 232 Cb 0.55 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 1sgi h PHE 232 CO -0.46 0.11 -0.02 0.00 -2.23 0.00 0.00 178.31 175.71 1sgi h ARG 233 N 0.49 0.00 -0.40 1.11 3.08 -1.88 -1.77 114.38 115.01 1sgi h ARG 233 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1sgi h ARG 233 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1sgi h ARG 233 CO -0.36 0.02 0.00 1.28 -1.07 0.00 0.00 179.97 179.84 1sgi n LEU 234 N -3.42 3.06 0.27 3.04 4.77 -0.09 -4.56 117.00 120.07 1sgi n LEU 234 Ca -0.03 -2.00 0.10 0.00 -0.03 0.00 0.00 56.01 54.06 1sgi n LEU 234 Cb 0.12 -0.27 0.73 0.00 -2.33 0.00 0.00 43.42 41.67 1sgi n LEU 234 CO 0.25 0.77 1.09 0.50 -1.33 0.00 0.00 177.39 178.66 1sgi h LYS 235 N 2.32 0.00 0.46 3.23 3.64 -0.34 -2.10 116.57 123.78 1sgi h LYS 235 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1sgi h LYS 235 Cb 0.77 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 1sgi h LYS 235 CO 0.00 0.00 -0.35 -0.22 -2.27 0.00 0.00 179.45 176.61 1sgi h LYS 236 N 0.00 -0.77 -0.87 1.90 1.63 -1.80 0.12 116.57 116.78 1sgi h LYS 236 Ca 0.00 0.05 0.07 0.00 -0.85 0.00 0.00 60.65 59.93 1sgi h LYS 236 Cb 0.02 0.17 -0.07 0.00 -0.60 0.00 0.00 32.23 31.76 1sgi h LYS 236 CO -0.00 -0.51 0.53 2.35 -3.45 0.00 0.00 179.45 178.37 1sgi h TRP 237 N -0.79 0.97 0.24 1.91 7.01 -1.74 0.39 115.95 123.94 1sgi h TRP 237 Ca -0.05 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.98 1sgi h TRP 237 Cb 0.68 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 27.41 1sgi h TRP 237 CO -0.15 0.47 -0.23 0.82 -2.79 0.00 0.00 178.44 176.56 1sgi h ILE 238 N 0.94 0.50 -0.84 2.65 2.04 -0.93 -1.15 117.51 120.72 1sgi h ILE 238 Ca 0.39 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.23 1sgi h ILE 238 Cb 0.23 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1sgi h ILE 238 CO -0.20 0.00 0.45 1.56 0.00 0.00 0.00 178.15 179.96 1sgi h GLN 239 N -0.51 1.17 -0.33 2.37 4.20 -0.65 -1.51 115.11 119.86 1sgi h GLN 239 Ca -0.01 -0.14 0.05 0.00 0.06 0.00 0.00 58.65 58.62 1sgi h GLN 239 Cb 0.47 -0.23 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 1sgi h GLN 239 CO -0.05 0.87 0.02 -0.22 -0.67 0.00 0.00 178.83 178.78 1sgi h LYS 240 N 1.17 0.12 -0.22 1.46 1.63 -0.44 0.62 116.57 120.91 1sgi h LYS 240 Ca 0.29 -0.01 -0.19 0.00 -0.85 0.00 0.00 60.65 59.90 1sgi h LYS 240 Cb 0.05 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1sgi h LYS 240 CO -0.05 0.08 -0.62 -0.39 -3.45 0.00 0.00 179.45 175.03 1sgi h VAL 241 N 0.12 1.29 0.39 2.00 -1.51 -0.87 -2.72 116.25 114.96 1sgi h VAL 241 Ca 0.16 -1.84 -0.02 0.00 -1.23 0.00 0.00 66.70 63.77 1sgi h VAL 241 Cb 0.20 1.78 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 1sgi h VAL 241 CO -0.24 0.58 -0.19 0.40 -1.23 0.00 0.00 177.57 176.89 1sgi h ILE 242 N 0.55 0.17 0.00 7.19 2.04 -1.03 -1.34 117.51 125.10 1sgi h ILE 242 Ca -0.01 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1sgi h ILE 242 Cb 1.21 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1sgi h ILE 242 CO 0.13 0.04 0.20 0.44 0.00 0.00 0.00 178.15 178.95 1sgi h ASP 243 N -1.09 0.00 0.00 1.72 3.32 -1.02 -3.14 116.42 116.21 1sgi h ASP 243 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1sgi h ASP 243 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1sgi h ASP 243 CO 0.09 0.00 0.00 1.67 -1.72 0.00 0.00 179.24 179.28 1sgi n GLN 244 N -2.51 0.00 0.00 3.56 -0.06 -1.02 -5.07 117.38 112.27 1sgi n GLN 244 Ca -0.02 0.00 0.15 0.00 -2.00 0.00 0.00 57.00 55.13 1sgi n GLN 244 Cb 0.23 -0.27 0.69 0.00 -4.06 0.00 0.00 30.24 26.84 1sgi n GLN 244 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05