#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pgq s VAL 17 N 0.00 5.28 -1.44 1.39 1.01 0.13 -4.27 120.40 122.50 2pgq s VAL 17 Ca 0.00 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.01 2pgq s VAL 17 Cb 0.00 -3.36 0.04 0.00 0.00 0.00 0.00 36.38 33.06 2pgq s VAL 17 CO 0.00 0.51 1.07 -0.62 0.00 0.00 0.00 175.10 176.06 2pgq n GLU 18 N 2.93 -6.82 -1.80 2.72 -0.58 -1.26 -2.23 120.64 113.60 2pgq n GLU 18 Ca -0.18 0.74 -0.09 0.00 -0.42 0.00 0.00 57.16 57.21 2pgq n GLU 18 Cb 0.53 -5.72 0.03 0.00 -0.57 0.00 0.00 31.44 25.72 2pgq n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pgq n GLY 19 N -1.85 1.69 3.35 0.62 0.00 -1.26 -4.72 105.19 103.02 2pgq n GLY 19 Ca 0.02 -2.14 -0.18 0.00 0.00 0.00 0.00 46.02 43.72 2pgq n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pgq s SER 20 N -2.65 2.14 0.27 1.61 1.04 -0.14 -4.87 113.70 111.11 2pgq s SER 20 Ca 0.28 -1.18 -0.29 0.00 0.48 0.00 0.00 55.95 55.24 2pgq s SER 20 Cb -0.02 -0.05 -0.10 0.00 0.10 0.00 0.00 66.02 65.95 2pgq s SER 20 CO 0.18 -0.42 1.33 -1.81 0.98 0.00 0.00 173.24 173.49 2pgq s ASP 21 N -3.33 6.81 0.38 7.02 1.01 -1.26 -0.69 116.67 126.60 2pgq s ASP 21 Ca 0.27 2.58 -0.25 0.00 0.71 0.00 0.00 52.55 55.85 2pgq s ASP 21 Cb 0.04 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 41.25 2pgq s ASP 21 CO 0.09 -0.55 1.08 0.00 0.21 0.00 0.00 175.17 176.00 2pgq s ALA 22 N -0.50 3.16 0.59 5.23 0.00 -0.17 -4.84 121.76 125.22 2pgq s ALA 22 Ca 0.53 0.78 -0.14 0.00 0.00 0.00 0.00 51.96 53.14 2pgq s ALA 22 Cb -0.39 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 2pgq s ALA 22 CO 0.46 -0.26 1.02 -1.21 0.00 0.00 0.00 175.76 175.77 2pgq s GLU 23 N -2.26 3.59 0.19 0.00 2.02 -1.26 -4.88 118.70 116.10 2pgq s GLU 23 Ca 0.55 0.93 -0.32 0.00 0.02 0.00 0.00 54.97 56.15 2pgq s GLU 23 Cb -0.25 -2.08 -0.11 0.00 0.10 0.00 0.00 34.13 31.78 2pgq s GLU 23 CO 0.32 -0.57 1.67 0.42 0.02 0.00 0.00 175.26 177.11 2pgq s ILE 24 N -2.84 2.26 -0.05 -1.63 1.01 -1.26 -2.03 121.20 116.67 2pgq s ILE 24 Ca 0.58 0.18 0.00 0.00 0.00 0.00 0.00 60.65 61.41 2pgq s ILE 24 Cb -0.12 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.24 2pgq s ILE 24 CO 0.43 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.99 2pgq n GLY 25 N 3.90 0.45 0.14 6.18 0.00 -1.26 -4.91 105.19 109.69 2pgq n GLY 25 Ca 0.15 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 46.05 2pgq n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2pgq h MET 26 N 0.73 0.00 -2.00 1.61 -1.53 -1.78 -3.36 114.93 108.60 2pgq h MET 26 Ca -0.01 0.00 -0.55 0.00 -3.44 0.00 0.00 59.70 55.70 2pgq h MET 26 Cb 0.15 0.00 -0.37 0.00 -0.55 0.00 0.00 31.60 30.83 2pgq h MET 26 CO 0.01 0.57 -1.04 0.45 0.14 0.00 0.00 176.91 177.04 2pgq n SER 27 N -3.39 -0.19 0.07 1.39 2.88 -1.26 -4.97 113.62 108.15 2pgq n SER 27 Ca 0.01 -2.63 0.09 0.00 -1.33 0.00 0.00 58.87 55.00 2pgq n SER 27 Cb 0.69 -0.48 0.38 0.00 -0.75 0.00 0.00 64.21 64.05 2pgq n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2pgq n PRO 28 N 1.83 0.09 -0.00 -1.46 -0.04 -1.26 -1.52 135.00 132.65 2pgq n PRO 28 Ca 0.23 0.39 0.14 0.00 -0.04 0.00 0.00 63.50 64.22 2pgq n PRO 28 Cb 0.52 -1.70 0.60 0.00 -0.04 0.00 0.00 33.50 32.88 2pgq n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2pgq n TRP 29 N -1.87 0.00 -2.01 0.54 2.14 -1.01 -1.97 117.44 113.26 2pgq n TRP 29 Ca 0.02 -0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.17 2pgq n TRP 29 Cb 0.16 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.63 2pgq n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2pgq s GLN 30 N -2.00 4.25 -0.01 -2.67 2.00 -0.57 -0.46 119.66 120.20 2pgq s GLN 30 Ca 0.40 2.29 0.04 0.00 -2.00 0.00 0.00 55.36 56.09 2pgq s GLN 30 Cb 0.21 -3.16 -0.01 0.00 0.80 0.00 0.00 33.01 30.85 2pgq s GLN 30 CO 0.34 -0.51 -0.15 0.08 -0.50 0.00 0.00 175.29 174.55 2pgq s VAL 31 N 0.77 1.15 -0.16 1.34 1.01 -0.41 -4.06 120.40 120.05 2pgq s VAL 31 Ca 0.66 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 2pgq s VAL 31 Cb -0.42 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 2pgq s VAL 31 CO 0.35 0.33 -0.01 -0.04 0.00 0.00 0.00 175.10 175.73 2pgq s MET 32 N -0.31 3.73 -0.22 2.72 1.00 -0.00 -1.16 119.30 125.04 2pgq s MET 32 Ca 0.05 -0.46 -0.07 0.00 0.00 0.00 0.00 55.69 55.21 2pgq s MET 32 Cb -0.06 -2.99 -0.03 0.00 0.00 0.00 0.00 34.83 31.74 2pgq s MET 32 CO -0.00 0.28 0.07 -1.17 0.00 0.00 0.00 175.02 174.19 2pgq s LEU 33 N 0.30 3.56 0.07 -0.03 2.96 -0.38 -1.17 118.68 123.99 2pgq s LEU 33 Ca -0.01 -0.11 0.09 0.00 -0.22 0.00 0.00 54.13 53.88 2pgq s LEU 33 Cb -0.13 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 2pgq s LEU 33 CO 0.02 0.04 -0.25 -0.36 -1.32 0.00 0.00 176.35 174.48 2pgq s PHE 34 N 1.18 2.17 0.28 5.38 0.08 0.03 -0.05 117.98 127.05 2pgq s PHE 34 Ca 0.04 -0.40 -0.29 0.00 0.12 0.00 0.00 56.93 56.40 2pgq s PHE 34 Cb -0.14 -1.27 -0.10 0.00 -0.57 0.00 0.00 43.02 40.94 2pgq s PHE 34 CO 0.03 0.17 1.23 0.50 -0.10 0.00 0.00 175.22 177.05 2pgq s ARG 35 N -1.45 4.47 -0.00 0.44 3.52 0.76 -1.19 118.95 125.49 2pgq s ARG 35 Ca 0.11 2.02 -0.22 0.00 -0.13 0.00 0.00 55.73 57.51 2pgq s ARG 35 Cb -0.10 -3.15 -0.19 0.00 -1.56 0.00 0.00 34.95 29.96 2pgq s ARG 35 CO 0.03 -0.06 1.22 -0.22 -0.81 0.00 0.00 175.30 175.46 2pgq h LYS 36 N 4.07 0.25 -2.06 5.12 3.64 -1.00 -3.07 116.57 123.51 2pgq h LYS 36 Ca -0.47 -0.17 -0.24 0.00 -1.27 0.00 0.00 60.65 58.49 2pgq h LYS 36 Cb 1.22 0.03 -0.32 0.00 -0.41 0.00 0.00 32.23 32.75 2pgq h LYS 36 CO 0.69 0.78 -0.57 -1.12 -2.27 0.00 0.00 179.45 176.97 2pgq s SER 36 N -6.16 0.93 0.45 4.20 0.01 -1.26 -3.61 113.70 108.26 2pgq s SER 36 Ca -0.15 -0.27 0.02 0.00 1.31 0.00 0.00 55.95 56.86 2pgq s SER 36 Cb 0.03 0.78 0.00 0.00 0.21 0.00 0.00 66.02 67.05 2pgq s SER 36 CO 0.74 -0.34 0.65 -2.16 0.41 0.00 0.00 173.24 172.54 2pgq s PRO 37 N 2.45 2.98 0.12 12.44 0.04 -1.26 -5.05 135.00 146.71 2pgq s PRO 37 Ca 0.10 -0.63 -0.31 0.00 0.04 0.00 0.00 61.00 60.20 2pgq s PRO 37 Cb -0.14 -2.59 -0.09 0.00 0.04 0.00 0.00 34.50 31.71 2pgq s PRO 37 CO -0.23 -0.29 1.64 -0.65 0.04 0.00 0.00 177.00 177.51 2pgq s GLN 38 N -4.52 4.20 -0.21 4.56 -0.21 -1.24 -4.66 119.66 117.57 2pgq s GLN 38 Ca 0.49 2.38 -0.11 0.00 0.02 0.00 0.00 55.36 58.15 2pgq s GLN 38 Cb -0.10 -3.41 0.07 0.00 1.00 0.00 0.00 33.01 30.57 2pgq s GLN 38 CO 0.37 -0.70 0.50 -2.00 -2.12 0.00 0.00 175.29 171.34 2pgq s GLU 39 N 2.03 0.47 0.03 2.91 2.12 -1.16 -4.95 118.70 120.15 2pgq s GLU 39 Ca 0.73 0.98 -0.30 0.00 0.36 0.00 0.00 54.97 56.74 2pgq s GLU 39 Cb -0.42 0.14 -0.06 0.00 0.26 0.00 0.00 34.13 34.04 2pgq s GLU 39 CO 0.32 -0.17 1.40 -1.17 -0.54 0.00 0.00 175.26 175.09 2pgq s LEU 40 N 1.77 4.33 -0.20 2.70 2.96 -1.26 -0.17 118.68 128.81 2pgq s LEU 40 Ca -0.08 2.16 -0.02 0.00 -0.22 0.00 0.00 54.13 55.97 2pgq s LEU 40 Cb -0.08 -3.57 -0.11 0.00 0.50 0.00 0.00 46.19 42.93 2pgq s LEU 40 CO -0.15 -0.70 -0.20 0.18 -1.32 0.00 0.00 176.35 174.16 2pgq n LEU 41 N 5.02 2.48 -3.83 -0.68 4.77 0.93 -4.91 117.00 120.78 2pgq n LEU 41 Ca 0.13 0.01 -0.05 0.00 -0.03 0.00 0.00 56.01 56.07 2pgq n LEU 41 Cb 0.43 -0.65 0.01 0.00 -2.33 0.00 0.00 43.42 40.88 2pgq n LEU 41 CO 0.58 0.70 0.67 0.00 -1.33 0.00 0.00 177.39 178.01 2pgq s GLY 43 N -3.14 1.83 0.09 0.00 0.00 0.88 -1.24 107.32 105.73 2pgq s GLY 43 Ca 0.16 -1.98 -0.26 0.00 0.00 0.00 0.00 44.72 42.65 2pgq s GLY 43 CO 0.07 -1.64 1.12 0.00 0.00 0.00 0.00 173.10 172.65 2pgq s ALA 44 N -2.58 -1.93 0.04 3.20 0.00 -0.31 -3.85 121.76 116.33 2pgq s ALA 44 Ca 0.58 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.73 2pgq s ALA 44 Cb -0.07 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 2pgq s ALA 44 CO 0.36 -1.07 -0.06 -1.54 0.00 0.00 0.00 175.76 173.46 2pgq s SER 45 N -3.18 0.64 -0.25 0.00 1.04 -0.13 -1.29 113.70 110.53 2pgq s SER 45 Ca 0.17 -0.57 -0.15 0.00 0.48 0.00 0.00 55.95 55.88 2pgq s SER 45 Cb 0.00 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 2pgq s SER 45 CO 0.01 -0.26 0.39 -0.22 0.98 0.00 0.00 173.24 174.14 2pgq s LEU 46 N -1.64 4.08 -0.01 2.42 2.96 0.39 -0.63 118.68 126.26 2pgq s LEU 46 Ca -0.11 0.39 0.12 0.00 -0.22 0.00 0.00 54.13 54.31 2pgq s LEU 46 Cb -0.09 -2.48 -0.16 0.00 0.50 0.00 0.00 46.19 43.97 2pgq s LEU 46 CO -0.01 -0.16 0.41 2.30 -1.32 0.00 0.00 176.35 177.58 2pgq n ILE 47 N 4.85 0.00 -3.21 6.68 -5.35 -0.55 -1.60 119.36 120.18 2pgq n ILE 47 Ca -0.08 -0.25 -0.01 0.00 -0.27 0.00 0.00 62.75 62.14 2pgq n ILE 47 Cb 0.51 0.67 0.00 0.00 -1.74 0.00 0.00 39.64 39.08 2pgq n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2pgq n SER 48 N -1.56 -0.30 0.00 7.28 3.41 -1.19 -4.69 113.62 116.57 2pgq n SER 48 Ca 0.00 -1.23 0.11 0.00 -0.26 0.00 0.00 58.87 57.49 2pgq n SER 48 Cb 0.24 0.51 0.56 0.00 -0.26 0.00 0.00 64.21 65.27 2pgq n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2pgq n ASP 49 N -1.25 0.00 0.00 4.04 5.75 -1.26 -3.88 116.55 119.95 2pgq n ASP 49 Ca -0.01 0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.82 2pgq n ASP 49 Cb 0.08 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 2pgq n ASP 49 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2pgq n ARG 50 N -1.32 -0.06 -5.12 0.11 1.85 -1.26 -0.52 116.66 110.34 2pgq n ARG 50 Ca 0.10 -0.16 -0.29 0.00 -1.00 0.00 0.00 57.85 56.50 2pgq n ARG 50 Cb 0.20 -0.62 -0.16 0.00 -1.05 0.00 0.00 32.46 30.82 2pgq n ARG 50 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 2pgq s TRP 51 N -0.04 2.14 -0.04 2.89 0.52 -1.25 -0.32 118.94 122.85 2pgq s TRP 51 Ca 0.00 -0.58 0.05 0.00 0.02 0.00 0.00 56.10 55.59 2pgq s TRP 51 Cb 0.00 -1.41 -0.01 0.00 -1.15 0.00 0.00 33.47 30.91 2pgq s TRP 51 CO 0.00 -0.16 -0.19 0.08 0.02 0.00 0.00 176.95 176.70 2pgq s VAL 52 N -0.20 1.57 -0.12 4.03 1.01 -0.33 -1.49 120.40 124.87 2pgq s VAL 52 Ca -0.01 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 2pgq s VAL 52 Cb -0.12 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 2pgq s VAL 52 CO 0.02 0.45 0.12 -0.22 0.00 0.00 0.00 175.10 175.47 2pgq s LEU 53 N -0.03 4.29 0.00 3.92 2.96 0.20 -0.62 118.68 129.40 2pgq s LEU 53 Ca -0.03 0.42 -0.00 0.00 -0.22 0.00 0.00 54.13 54.30 2pgq s LEU 53 Cb -0.12 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.53 2pgq s LEU 53 CO 0.02 0.40 0.06 1.07 -1.32 0.00 0.00 176.35 176.58 2pgq n THR 54 N 2.05 0.00 -3.65 3.68 5.66 -0.31 -0.96 114.28 120.75 2pgq n THR 54 Ca -0.20 -0.18 -0.37 0.00 -3.05 0.00 0.00 64.05 60.25 2pgq n THR 54 Cb 0.55 0.11 -0.06 0.00 -1.55 0.00 0.00 70.33 69.38 2pgq n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2pgq s ALA 55 N -1.62 3.76 0.34 1.79 0.00 -1.26 -1.56 121.76 123.20 2pgq s ALA 55 Ca 0.03 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 51.64 2pgq s ALA 55 Cb -0.00 -2.23 0.71 0.00 0.00 0.00 0.00 23.12 21.60 2pgq s ALA 55 CO 0.02 0.49 1.89 0.00 0.00 0.00 0.00 175.76 178.17 2pgq h ALA 56 N 5.01 1.70 0.00 0.00 0.00 -1.70 -2.49 119.26 121.78 2pgq h ALA 56 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2pgq h ALA 56 Cb 1.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2pgq h ALA 56 CO 0.62 0.10 0.00 -2.39 0.00 0.00 0.00 179.25 177.58 2pgq n HIS 57 N -4.53 0.25 0.23 0.00 1.44 -1.26 -0.58 115.22 110.77 2pgq n HIS 57 Ca 0.15 0.10 0.11 0.00 -2.01 0.00 0.00 57.72 56.07 2pgq n HIS 57 Cb 0.35 -0.65 0.49 0.00 0.12 0.00 0.00 29.99 30.29 2pgq n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2pgq n LEU 59 N -3.34 1.62 -3.70 0.00 4.77 0.24 -4.93 117.00 111.66 2pgq n LEU 59 Ca 0.00 -0.03 -0.25 0.00 -0.03 0.00 0.00 56.01 55.70 2pgq n LEU 59 Cb 0.41 -0.12 -0.17 0.00 -2.33 0.00 0.00 43.42 41.21 2pgq n LEU 59 CO 0.32 0.49 -0.36 -0.22 -1.33 0.00 0.00 177.39 176.29 2pgq s LEU 60 N -5.23 0.66 0.25 2.23 2.96 0.26 -0.99 118.68 118.81 2pgq s LEU 60 Ca -0.11 -0.45 -0.19 0.00 -0.22 0.00 0.00 54.13 53.17 2pgq s LEU 60 Cb 0.04 -0.40 0.02 0.00 0.50 0.00 0.00 46.19 46.35 2pgq s LEU 60 CO 0.32 -0.28 0.62 -0.47 -1.32 0.00 0.00 176.35 175.23 2pgq s TYR 60 N 2.01 -0.07 0.00 5.38 5.04 -0.16 -4.10 117.35 125.44 2pgq s TYR 60 Ca 0.02 -0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.32 2pgq s TYR 60 Cb -0.15 0.53 0.00 0.00 0.35 0.00 0.00 41.96 42.69 2pgq s TYR 60 CO -0.07 -1.10 0.00 -2.30 -1.34 0.00 0.00 175.55 170.74 2pgq n PRO 60 N -0.42 0.00 -0.72 4.97 -0.02 -1.26 -2.21 135.00 135.34 2pgq n PRO 60 Ca -0.05 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.51 2pgq n PRO 60 Cb 0.61 0.00 0.36 0.00 -0.02 0.00 0.00 33.50 34.44 2pgq n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2pgq n TRP 60 N 0.00 1.65 -3.52 6.00 8.01 -1.26 -4.95 117.44 123.38 2pgq n TRP 60 Ca 0.00 -0.74 -0.26 0.00 -1.31 0.00 0.00 57.50 55.19 2pgq n TRP 60 Cb 0.00 -0.40 0.03 0.00 -2.01 0.00 0.00 31.31 28.92 2pgq n TRP 60 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 2pgq n ASP 60 N 0.43 -5.06 -4.48 -0.99 4.64 -1.20 -4.96 116.55 104.92 2pgq n ASP 60 Ca 0.25 -0.53 -0.36 0.00 -1.38 0.00 0.00 54.79 52.77 2pgq n ASP 60 Cb 1.05 -4.08 -0.12 0.00 -1.04 0.00 0.00 41.12 36.93 2pgq n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 2pgq s LYS 60 N -6.21 3.71 -0.48 -0.67 2.20 -0.94 -5.00 119.74 112.35 2pgq s LYS 60 Ca 0.50 -0.46 0.04 0.00 -0.36 0.00 0.00 55.97 55.70 2pgq s LYS 60 Cb -0.25 -3.29 0.20 0.00 -1.51 0.00 0.00 37.83 32.98 2pgq s LYS 60 CO 0.62 -0.09 0.82 -1.71 -0.36 0.00 0.00 175.35 174.62 2pgq n ASN 60 N 4.63 -3.03 -4.84 1.43 2.85 -1.23 -0.99 115.26 114.09 2pgq n ASN 60 Ca -0.16 -2.54 -0.33 0.00 -0.11 0.00 0.00 54.58 51.44 2pgq n ASN 60 Cb 0.52 1.55 -0.06 0.00 1.24 0.00 0.00 39.78 43.03 2pgq n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2pgq s PHE 60 N 0.87 3.43 0.43 1.20 0.08 -0.16 -5.02 117.98 118.82 2pgq s PHE 60 Ca 0.29 1.25 0.07 0.00 0.12 0.00 0.00 56.93 58.66 2pgq s PHE 60 Cb 0.04 -2.55 -0.02 0.00 -0.57 0.00 0.00 43.02 39.92 2pgq s PHE 60 CO -0.07 0.15 0.34 -0.08 -0.10 0.00 0.00 175.22 175.47 2pgq s THR 60 N -1.88 2.49 0.34 0.64 -1.32 -1.26 -4.92 115.64 109.74 2pgq s THR 60 Ca 0.51 -1.42 0.07 0.00 -1.21 0.00 0.00 61.69 59.64 2pgq s THR 60 Cb -0.12 -2.92 0.31 0.00 -1.51 0.00 0.00 72.50 68.27 2pgq s THR 60 CO 0.18 0.00 1.87 -0.33 -2.21 0.00 0.00 174.62 174.13 2pgq h GLU 61 N 1.08 0.75 0.00 7.08 3.07 -1.92 -1.10 114.58 123.53 2pgq h GLU 61 Ca -0.41 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 2pgq h GLU 61 Cb 1.27 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 2pgq h GLU 61 CO 0.60 0.49 0.00 0.09 -1.40 0.00 0.00 179.01 178.79 2pgq n ASN 62 N -4.56 0.00 -0.19 1.42 3.02 -1.26 -2.84 115.26 110.85 2pgq n ASN 62 Ca 0.17 0.11 0.13 0.00 -0.03 0.00 0.00 54.58 54.96 2pgq n ASN 62 Cb 0.42 -0.36 0.43 0.00 -0.61 0.00 0.00 39.78 39.66 2pgq n ASN 62 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2pgq n ASP 63 N -1.36 0.82 -4.23 6.41 8.00 -0.42 -4.89 116.55 120.88 2pgq n ASP 63 Ca 0.10 -0.73 -0.13 0.00 0.71 0.00 0.00 54.79 54.74 2pgq n ASP 63 Cb 0.24 0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.32 2pgq n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2pgq s LEU 64 N -2.54 2.34 0.15 0.64 1.43 -1.13 -0.37 118.68 119.19 2pgq s LEU 64 Ca 0.24 -1.09 -0.10 0.00 -1.03 0.00 0.00 54.13 52.16 2pgq s LEU 64 Cb 0.19 -0.16 -0.00 0.00 0.03 0.00 0.00 46.19 46.25 2pgq s LEU 64 CO 0.52 -0.47 0.29 -1.48 0.23 0.00 0.00 176.35 175.44 2pgq s LEU 65 N -3.15 0.96 0.10 1.79 2.34 -0.33 -4.43 118.68 115.97 2pgq s LEU 65 Ca 0.19 -0.79 0.09 0.00 0.06 0.00 0.00 54.13 53.68 2pgq s LEU 65 Cb 0.05 1.25 -0.04 0.00 -0.56 0.00 0.00 46.19 46.89 2pgq s LEU 65 CO 0.01 -0.87 -0.22 0.68 -1.06 0.00 0.00 176.35 174.88 2pgq s VAL 66 N -3.94 1.84 -0.03 1.48 -7.23 -0.37 -0.79 120.40 111.36 2pgq s VAL 66 Ca 0.14 -1.57 0.07 0.00 -1.81 0.00 0.00 61.98 58.82 2pgq s VAL 66 Cb 0.03 -1.66 -0.02 0.00 0.56 0.00 0.00 36.38 35.30 2pgq s VAL 66 CO -0.02 0.00 -0.24 -0.13 -0.31 0.00 0.00 175.10 174.40 2pgq s ARG 67 N -1.88 2.20 0.03 4.82 0.52 -0.31 -1.32 118.95 123.01 2pgq s ARG 67 Ca 0.08 -0.88 0.04 0.00 -0.52 0.00 0.00 55.73 54.45 2pgq s ARG 67 Cb -0.10 -2.11 -0.02 0.00 0.52 0.00 0.00 34.95 33.24 2pgq s ARG 67 CO 0.04 0.57 -0.12 0.42 0.02 0.00 0.00 175.30 176.23 2pgq s ILE 68 N -0.62 0.95 -1.01 1.52 1.01 0.00 -0.82 121.20 122.23 2pgq s ILE 68 Ca 0.10 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.83 2pgq s ILE 68 Cb -0.10 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 41.49 2pgq s ILE 68 CO -0.01 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.51 2pgq n GLY 69 N 1.96 -0.05 3.47 6.18 0.00 -1.26 -0.27 105.19 115.22 2pgq n GLY 69 Ca -0.18 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 2pgq n GLY 69 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pgq s LYS 70 N -4.51 3.01 -0.07 1.61 2.36 -1.26 -3.59 119.74 117.29 2pgq s LYS 70 Ca 0.00 -0.96 0.15 0.00 -2.55 0.00 0.00 55.97 52.61 2pgq s LYS 70 Cb 0.00 -3.97 -0.23 0.00 -1.05 0.00 0.00 37.83 32.58 2pgq s LYS 70 CO 0.00 -0.76 0.53 0.72 1.55 0.00 0.00 175.35 177.39 2pgq n HIS 71 N 5.25 0.73 -4.66 4.03 8.25 -1.26 -4.87 115.22 122.69 2pgq n HIS 71 Ca -0.10 0.26 -0.32 0.00 -0.26 0.00 0.00 57.72 57.29 2pgq n HIS 71 Cb 0.47 -1.11 -0.12 0.00 1.12 0.00 0.00 29.99 30.35 2pgq n HIS 71 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2pgq s SER 72 N -5.87 4.29 0.35 0.41 0.15 -1.26 -4.31 113.70 107.46 2pgq s SER 72 Ca -0.06 -0.19 0.04 0.00 0.70 0.00 0.00 55.95 56.44 2pgq s SER 72 Cb 0.08 -0.93 0.63 0.00 -1.71 0.00 0.00 66.02 64.09 2pgq s SER 72 CO 0.83 0.31 1.93 -0.09 1.20 0.00 0.00 173.24 177.42 2pgq h ARG 73 N 4.90 0.63 0.00 5.44 9.65 -1.82 -3.37 114.38 129.82 2pgq h ARG 73 Ca -0.48 -0.09 -0.01 0.00 -1.10 0.00 0.00 59.98 58.31 2pgq h ARG 73 Cb 1.16 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.63 2pgq h ARG 73 CO 0.51 0.54 -1.03 0.25 2.80 0.00 0.00 179.97 183.04 2pgq n THR 74 N -4.35 0.02 -2.73 0.20 -2.24 -1.26 -5.01 114.28 98.91 2pgq n THR 74 Ca 0.03 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 2pgq n THR 74 Cb 0.16 -0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 67.90 2pgq n THR 74 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2pgq s ARG 75 N -2.02 4.37 -0.09 -0.78 3.52 -1.26 -5.02 118.95 117.67 2pgq s ARG 75 Ca -0.00 1.31 -0.26 0.00 -0.13 0.00 0.00 55.73 56.64 2pgq s ARG 75 Cb 0.00 -3.56 -0.02 0.00 -1.56 0.00 0.00 34.95 29.81 2pgq s ARG 75 CO 0.02 -0.36 0.84 -0.47 -0.81 0.00 0.00 175.30 174.52 2pgq s TYR 76 N 2.20 3.53 -0.56 5.12 6.14 -1.26 -4.42 117.35 128.10 2pgq s TYR 76 Ca 0.46 1.38 -0.00 0.00 0.64 0.00 0.00 57.07 59.54 2pgq s TYR 76 Cb -0.17 -2.99 0.14 0.00 0.42 0.00 0.00 41.96 39.36 2pgq s TYR 76 CO 0.15 -0.09 0.34 -1.21 0.64 0.00 0.00 175.55 175.38 2pgq s GLU 77 N 1.47 2.27 0.54 4.97 2.02 -1.26 -5.08 118.70 123.62 2pgq s GLU 77 Ca 0.42 -2.46 -0.22 0.00 0.02 0.00 0.00 54.97 52.73 2pgq s GLU 77 Cb -0.18 -3.56 -0.05 0.00 0.10 0.00 0.00 34.13 30.44 2pgq s GLU 77 CO 0.18 -1.13 1.36 0.50 0.02 0.00 0.00 175.26 176.19 2pgq s ARG 77 N 0.03 3.19 0.00 1.61 3.52 -1.26 -1.42 118.95 124.62 2pgq s ARG 77 Ca 0.16 2.25 0.00 0.00 -0.13 0.00 0.00 55.73 58.01 2pgq s ARG 77 Cb -0.22 -2.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.88 2pgq s ARG 77 CO -0.03 -1.15 0.00 0.09 -0.81 0.00 0.00 175.30 173.40 2pgq n ASN 78 N -0.95 0.00 0.01 -2.12 3.02 -1.26 -4.71 115.26 109.24 2pgq n ASN 78 Ca 0.10 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.63 2pgq n ASN 78 Cb 0.45 -0.21 -0.01 0.00 -0.61 0.00 0.00 39.78 39.40 2pgq n ASN 78 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2pgq n ILE 79 N -2.00 0.94 -2.81 2.41 2.08 -0.65 -5.04 119.36 114.29 2pgq n ILE 79 Ca 0.00 0.28 -0.32 0.00 0.56 0.00 0.00 62.75 63.26 2pgq n ILE 79 Cb 0.00 -1.63 -0.05 0.00 -0.75 0.00 0.00 39.64 37.21 2pgq n ILE 79 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2pgq s GLU 80 N -1.91 4.05 0.09 0.38 -1.05 -0.51 -4.69 118.70 115.06 2pgq s GLU 80 Ca -0.06 0.88 0.07 0.00 -0.15 0.00 0.00 54.97 55.72 2pgq s GLU 80 Cb 0.01 -2.26 -0.03 0.00 -0.44 0.00 0.00 34.13 31.41 2pgq s GLU 80 CO 0.09 -0.04 -0.19 0.15 0.95 0.00 0.00 175.26 176.22 2pgq s LYS 81 N -3.43 1.09 -0.09 -4.83 -0.14 0.63 -4.84 119.74 108.14 2pgq s LYS 81 Ca 0.58 -1.08 0.02 0.00 -1.36 0.00 0.00 55.97 54.13 2pgq s LYS 81 Cb -0.10 -1.28 -0.02 0.00 -1.68 0.00 0.00 37.83 34.75 2pgq s LYS 81 CO 0.21 0.30 -0.13 0.42 -0.76 0.00 0.00 175.35 175.39 2pgq s ILE 82 N -1.12 3.10 -0.01 2.17 1.01 -1.26 -0.82 121.20 124.27 2pgq s ILE 82 Ca 0.05 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 60.04 2pgq s ILE 82 Cb -0.10 -2.25 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 2pgq s ILE 82 CO 0.03 0.56 -0.08 -0.44 0.00 0.00 0.00 174.94 175.02 2pgq s SER 83 N -0.27 0.89 0.69 3.58 0.01 -0.43 -5.01 113.70 113.16 2pgq s SER 83 Ca 0.02 -0.14 -0.09 0.00 1.31 0.00 0.00 55.95 57.05 2pgq s SER 83 Cb -0.13 -0.11 0.03 0.00 0.21 0.00 0.00 66.02 66.03 2pgq s SER 83 CO 0.03 0.09 1.04 -0.04 0.41 0.00 0.00 173.24 174.76 2pgq s MET 84 N -0.16 2.57 -0.14 12.44 -1.94 -1.26 -1.24 119.30 129.57 2pgq s MET 84 Ca 0.03 0.10 -0.02 0.00 -1.71 0.00 0.00 55.69 54.09 2pgq s MET 84 Cb -0.03 -2.12 -0.02 0.00 2.01 0.00 0.00 34.83 34.67 2pgq s MET 84 CO -0.00 -1.08 -0.07 -0.51 -0.01 0.00 0.00 175.02 173.34 2pgq s LEU 85 N -5.27 3.04 -0.03 -0.03 1.43 -1.26 -0.89 118.68 115.67 2pgq s LEU 85 Ca 0.58 -0.20 -0.22 0.00 -1.03 0.00 0.00 54.13 53.25 2pgq s LEU 85 Cb -0.11 -1.71 -0.26 0.00 0.03 0.00 0.00 46.19 44.14 2pgq s LEU 85 CO 0.48 0.17 1.00 -0.08 0.23 0.00 0.00 176.35 178.15 2pgq h GLU 86 N 6.67 0.29 -2.61 1.70 4.22 -0.82 -3.44 114.58 120.58 2pgq h GLU 86 Ca -0.29 -0.37 -0.07 0.00 0.08 0.00 0.00 59.36 58.71 2pgq h GLU 86 Cb 1.20 0.12 -0.17 0.00 0.50 0.00 0.00 28.75 30.39 2pgq h GLU 86 CO 0.60 1.10 0.03 0.21 -2.18 0.00 0.00 179.01 178.76 2pgq s LYS 87 N -2.88 0.99 0.01 1.92 2.47 -1.22 -4.95 119.74 116.08 2pgq s LYS 87 Ca -0.14 -0.10 0.08 0.00 -1.56 0.00 0.00 55.97 54.24 2pgq s LYS 87 Cb 0.02 0.45 -0.03 0.00 -1.46 0.00 0.00 37.83 36.81 2pgq s LYS 87 CO 0.80 -0.33 -0.23 0.42 0.16 0.00 0.00 175.35 176.16 2pgq s ILE 88 N -1.95 2.33 -0.11 5.43 1.01 -1.26 -1.06 121.20 125.59 2pgq s ILE 88 Ca -0.08 -1.16 -0.01 0.00 0.00 0.00 0.00 60.65 59.40 2pgq s ILE 88 Cb -0.01 -1.89 0.03 0.00 0.01 0.00 0.00 42.46 40.60 2pgq s ILE 88 CO 0.02 0.47 -0.04 -0.31 0.00 0.00 0.00 174.94 175.08 2pgq s TYR 89 N -0.74 1.19 -0.10 3.97 1.51 -0.00 -5.00 117.35 118.17 2pgq s TYR 89 Ca 0.12 -0.56 -0.01 0.00 -1.01 0.00 0.00 57.07 55.60 2pgq s TYR 89 Cb -0.10 -1.07 -0.03 0.00 -0.11 0.00 0.00 41.96 40.64 2pgq s TYR 89 CO 0.01 -0.46 -0.03 0.42 -1.11 0.00 0.00 175.55 174.38 2pgq s ILE 90 N 1.81 4.00 -0.04 2.71 1.01 -1.26 -0.73 121.20 128.70 2pgq s ILE 90 Ca 0.04 -0.35 -0.38 0.00 0.00 0.00 0.00 60.65 59.96 2pgq s ILE 90 Cb -0.13 -2.68 -0.16 0.00 0.01 0.00 0.00 42.46 39.50 2pgq s ILE 90 CO -0.07 0.58 1.50 1.57 0.00 0.00 0.00 174.94 178.52 2pgq n HIS 91 N 2.49 1.74 0.32 3.97 -0.00 -1.02 -4.84 115.22 117.89 2pgq n HIS 91 Ca -0.18 0.57 0.20 0.00 -0.00 0.00 0.00 57.72 58.31 2pgq n HIS 91 Cb 0.53 -2.39 1.07 0.00 -0.00 0.00 0.00 29.99 29.20 2pgq n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2pgq h PRO 92 N 5.62 0.00 -0.34 1.57 0.13 -1.94 -2.02 132.00 135.03 2pgq h PRO 92 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2pgq h PRO 92 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2pgq h PRO 92 CO 0.85 0.01 0.00 0.54 -0.23 0.00 0.00 178.00 179.17 2pgq n ARG 93 N -3.24 3.13 -1.68 0.86 1.74 -1.26 -4.99 116.66 111.22 2pgq n ARG 93 Ca -0.02 -2.66 -0.46 0.00 -0.77 0.00 0.00 57.85 53.93 2pgq n ARG 93 Cb 0.12 -1.73 -0.04 0.00 -1.02 0.00 0.00 32.46 29.79 2pgq n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2pgq n TYR 94 N -0.01 2.41 -3.32 -1.55 9.36 -0.76 -4.76 117.16 118.53 2pgq n TYR 94 Ca 0.20 -0.10 -0.46 0.00 3.32 0.00 0.00 57.90 60.86 2pgq n TYR 94 Cb 0.79 -2.70 -0.01 0.00 -0.63 0.00 0.00 39.34 36.79 2pgq n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2pgq s ASN 95 N 3.80 7.14 0.39 2.98 3.84 -0.05 -4.82 114.94 128.21 2pgq s ASN 95 Ca 0.90 -3.28 0.21 0.00 0.21 0.00 0.00 52.86 50.90 2pgq s ASN 95 Cb -0.60 -2.22 0.46 0.00 -0.55 0.00 0.00 41.25 38.34 2pgq s ASN 95 CO 0.46 -0.40 1.63 4.11 -2.79 0.00 0.00 177.10 180.12 2pgq h TRP 96 N 7.06 0.00 -0.20 0.43 5.08 -1.91 0.60 115.95 127.00 2pgq h TRP 96 Ca 0.16 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 60.02 2pgq h TRP 96 Cb 0.93 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.07 2pgq h TRP 96 CO 0.86 0.22 -0.35 0.00 -1.28 0.00 0.00 178.44 177.90 2pgq h ARG 97 N 0.00 0.43 0.00 0.12 3.08 -2.00 -3.42 114.38 112.59 2pgq h ARG 97 Ca -0.00 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.86 2pgq h ARG 97 Cb 1.04 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2pgq h ARG 97 CO 0.03 0.73 -0.30 0.39 -1.07 0.00 0.00 179.97 179.75 2pgq n GLU 97 N -4.06 0.16 -0.37 0.04 1.02 -1.23 -4.98 120.64 111.21 2pgq n GLU 97 Ca -0.01 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2pgq n GLU 97 Cb 0.46 -0.72 0.00 0.00 -0.02 0.00 0.00 31.44 31.16 2pgq n GLU 97 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2pgq n ASN 98 N -3.61 0.00 -2.52 1.62 6.94 -1.19 -4.93 115.26 111.57 2pgq n ASN 98 Ca -0.04 -1.70 -0.20 0.00 -0.02 0.00 0.00 54.58 52.61 2pgq n ASN 98 Cb 0.16 -0.14 -0.00 0.00 -2.36 0.00 0.00 39.78 37.43 2pgq n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2pgq n LEU 99 N 0.00 -1.95 -4.73 -4.53 4.77 0.20 -4.94 117.00 105.81 2pgq n LEU 99 Ca 0.00 -0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.52 2pgq n LEU 99 Cb 0.64 -2.83 -0.02 0.00 -2.33 0.00 0.00 43.42 38.88 2pgq n LEU 99 CO 0.00 -0.13 1.20 -0.67 -1.33 0.00 0.00 177.39 176.46 2pgq n ASP 100 N -2.07 3.69 -3.47 -1.43 2.03 -1.22 -2.55 116.55 111.52 2pgq n ASP 100 Ca -0.21 1.15 -0.19 0.00 0.52 0.00 0.00 54.79 56.06 2pgq n ASP 100 Cb 0.67 -1.57 0.07 0.00 -0.72 0.00 0.00 41.12 39.56 2pgq n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2pgq n ARG 101 N 2.07 -4.87 -2.49 -0.67 1.74 -1.26 -0.87 116.66 110.31 2pgq n ARG 101 Ca 0.09 0.77 -0.43 0.00 -0.77 0.00 0.00 57.85 57.51 2pgq n ARG 101 Cb 0.36 -5.58 0.00 0.00 -1.02 0.00 0.00 32.46 26.22 2pgq n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2pgq n ASP 102 N -3.11 4.82 -3.78 0.55 2.03 -1.06 -4.37 116.55 111.64 2pgq n ASP 102 Ca -0.23 -2.93 -0.13 0.00 0.52 0.00 0.00 54.79 52.02 2pgq n ASP 102 Cb 0.66 -1.69 -0.10 0.00 -0.72 0.00 0.00 41.12 39.27 2pgq n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2pgq s ILE 103 N 3.33 0.02 0.01 5.18 2.07 -1.26 -3.68 121.20 126.87 2pgq s ILE 103 Ca 0.50 -0.19 -0.12 0.00 -1.41 0.00 0.00 60.65 59.42 2pgq s ILE 103 Cb 0.05 -0.45 0.02 0.00 0.13 0.00 0.00 42.46 42.20 2pgq s ILE 103 CO 0.03 -0.11 0.26 0.00 -1.91 0.00 0.00 174.94 173.22 2pgq s ALA 104 N -0.37 -0.61 0.03 1.50 0.00 -0.60 -2.42 121.76 119.29 2pgq s ALA 104 Ca -0.05 0.06 0.07 0.00 0.00 0.00 0.00 51.96 52.04 2pgq s ALA 104 Cb -0.03 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 2pgq s ALA 104 CO 0.01 -0.31 -0.19 -0.51 0.00 0.00 0.00 175.76 174.77 2pgq s LEU 105 N -1.66 2.55 -0.09 0.00 1.43 0.09 -1.16 118.68 119.83 2pgq s LEU 105 Ca -0.10 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 2pgq s LEU 105 Cb -0.04 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.71 2pgq s LEU 105 CO 0.00 0.26 -0.12 -0.04 0.23 0.00 0.00 176.35 176.69 2pgq s MET 106 N -1.34 1.82 -0.18 1.70 -1.94 0.21 -0.82 119.30 118.76 2pgq s MET 106 Ca 0.14 -0.42 -0.19 0.00 -1.71 0.00 0.00 55.69 53.51 2pgq s MET 106 Cb -0.10 -1.60 -0.03 0.00 2.01 0.00 0.00 34.83 35.10 2pgq s MET 106 CO 0.04 -0.07 0.52 0.21 -0.01 0.00 0.00 175.02 175.71 2pgq s LYS 107 N 1.01 4.23 0.30 2.03 2.20 -0.23 -1.19 119.74 128.10 2pgq s LYS 107 Ca -0.07 0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 55.69 2pgq s LYS 107 Cb -0.15 -3.53 -0.10 0.00 -1.51 0.00 0.00 37.83 32.54 2pgq s LYS 107 CO -0.01 -0.08 1.19 -0.51 -0.36 0.00 0.00 175.35 175.58 2pgq s LEU 108 N 1.41 4.50 0.25 5.43 1.43 0.57 -0.22 118.68 132.05 2pgq s LEU 108 Ca 0.25 2.45 -0.05 0.00 -1.03 0.00 0.00 54.13 55.75 2pgq s LEU 108 Cb -0.15 -3.64 0.29 0.00 0.03 0.00 0.00 46.19 42.72 2pgq s LEU 108 CO 0.10 -0.32 1.90 0.11 0.23 0.00 0.00 176.35 178.37 2pgq h LYS 109 N 3.69 1.21 -4.67 1.70 1.79 -1.30 -3.41 116.57 115.58 2pgq h LYS 109 Ca -0.48 -0.12 -0.34 0.00 -2.18 0.00 0.00 60.65 57.54 2pgq h LYS 109 Cb 1.22 -0.25 -0.25 0.00 -1.58 0.00 0.00 32.23 31.37 2pgq h LYS 109 CO 0.67 0.86 -0.76 -1.59 -1.08 0.00 0.00 179.45 177.54 2pgq s LYS 110 N -5.88 0.61 0.57 3.15 -2.85 -1.26 -4.93 119.74 109.15 2pgq s LYS 110 Ca -0.12 -0.54 -0.21 0.00 -1.00 0.00 0.00 55.97 54.10 2pgq s LYS 110 Cb 0.17 -0.52 -0.04 0.00 -2.06 0.00 0.00 37.83 35.39 2pgq s LYS 110 CO 0.82 0.12 1.35 -1.25 0.10 0.00 0.00 175.35 176.50 2pgq s PRO 111 N -0.90 2.97 -0.04 1.78 0.04 -1.26 -4.93 135.00 132.67 2pgq s PRO 111 Ca -0.02 2.22 -0.13 0.00 0.04 0.00 0.00 61.00 63.11 2pgq s PRO 111 Cb -0.06 -2.16 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 2pgq s PRO 111 CO 0.00 -1.32 0.33 0.54 0.04 0.00 0.00 177.00 176.60 2pgq s VAL 112 N -1.31 5.18 0.23 -0.36 0.11 0.32 -5.02 120.40 119.55 2pgq s VAL 112 Ca 0.75 0.65 -0.30 0.00 -2.93 0.00 0.00 61.98 60.15 2pgq s VAL 112 Cb -0.40 -3.62 -0.09 0.00 -1.53 0.00 0.00 36.38 30.74 2pgq s VAL 112 CO 0.47 0.58 1.03 0.00 -3.33 0.00 0.00 175.10 173.85 2pgq s ALA 113 N -1.00 3.36 0.40 1.54 0.00 -1.26 -4.74 121.76 120.06 2pgq s ALA 113 Ca 0.21 0.75 -0.19 0.00 0.00 0.00 0.00 51.96 52.73 2pgq s ALA 113 Cb -0.15 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 19.58 2pgq s ALA 113 CO 0.10 -0.02 0.88 -0.06 0.00 0.00 0.00 175.76 176.66 2pgq s PHE 114 N -0.85 3.33 0.00 0.00 0.08 -1.26 -4.85 117.98 114.43 2pgq s PHE 114 Ca 0.45 1.49 0.00 0.00 0.12 0.00 0.00 56.93 58.98 2pgq s PHE 114 Cb -0.28 -2.75 0.00 0.00 -0.57 0.00 0.00 43.02 39.42 2pgq s PHE 114 CO 0.35 -0.04 0.00 -1.13 -0.10 0.00 0.00 175.22 174.30 2pgq n SER 115 N -0.55 0.00 0.18 1.36 3.41 -0.13 -4.95 113.62 112.94 2pgq n SER 115 Ca 0.06 -0.91 0.14 0.00 -0.26 0.00 0.00 58.87 57.89 2pgq n SER 115 Cb 0.54 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 65.07 2pgq n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2pgq h ASP 116 N 0.00 0.00 -0.00 4.04 3.32 -2.00 -3.21 116.42 118.57 2pgq h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2pgq h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2pgq h ASP 116 CO 0.00 0.00 -0.37 -1.22 -1.72 0.00 0.00 179.24 175.93 2pgq n TYR 117 N -2.52 0.00 -3.85 4.55 4.01 -1.26 -4.74 117.16 113.35 2pgq n TYR 117 Ca 0.01 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.52 2pgq n TYR 117 Cb 0.23 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.09 2pgq n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2pgq s ILE 118 N -1.73 0.50 -0.14 -0.72 1.01 -1.21 -4.32 121.20 114.59 2pgq s ILE 118 Ca 0.04 0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.43 2pgq s ILE 118 Cb 0.07 -0.61 0.07 0.00 0.01 0.00 0.00 42.46 42.00 2pgq s ILE 118 CO 0.34 0.27 0.71 -1.00 0.00 0.00 0.00 174.94 175.26 2pgq s HIS 119 N 1.78 -0.70 0.43 3.97 3.76 -0.83 -0.95 115.29 122.75 2pgq s HIS 119 Ca 0.03 1.40 -0.18 0.00 -0.15 0.00 0.00 55.06 56.16 2pgq s HIS 119 Cb -0.13 0.36 -0.10 0.00 1.11 0.00 0.00 32.58 33.83 2pgq s HIS 119 CO -0.05 -0.51 0.92 -1.25 -0.85 0.00 0.00 174.74 172.99 2pgq s PRO 120 N -0.60 4.10 0.25 8.40 0.04 -1.26 -2.41 135.00 143.51 2pgq s PRO 120 Ca -0.07 0.98 -0.03 0.00 0.04 0.00 0.00 61.00 61.92 2pgq s PRO 120 Cb -0.02 -2.22 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 2pgq s PRO 120 CO 0.06 -0.06 0.48 0.54 0.04 0.00 0.00 177.00 178.06 2pgq s VAL 121 N -2.27 5.10 0.39 -0.36 0.11 -0.62 -4.91 120.40 117.83 2pgq s VAL 121 Ca 0.59 -0.09 -0.16 0.00 -2.93 0.00 0.00 61.98 59.39 2pgq s VAL 121 Cb -0.09 -3.72 -0.09 0.00 -1.53 0.00 0.00 36.38 30.94 2pgq s VAL 121 CO 0.19 -0.24 0.83 0.00 -3.33 0.00 0.00 175.10 172.55 2pgq s LEU 123 N -3.27 4.39 0.33 0.00 1.43 -1.26 -0.82 118.68 119.47 2pgq s LEU 123 Ca 0.57 0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 53.88 2pgq s LEU 123 Cb -0.10 -2.39 -0.10 0.00 0.03 0.00 0.00 46.19 43.63 2pgq s LEU 123 CO 0.19 0.33 1.28 -2.16 0.23 0.00 0.00 176.35 176.22 2pgq s PRO 124 N -1.43 4.39 0.66 1.29 0.04 -1.26 -4.94 135.00 133.74 2pgq s PRO 124 Ca 0.22 2.17 -0.04 0.00 0.04 0.00 0.00 61.00 63.39 2pgq s PRO 124 Cb -0.13 -3.09 0.06 0.00 0.04 0.00 0.00 34.50 31.39 2pgq s PRO 124 CO 0.11 -0.14 0.94 0.16 0.04 0.00 0.00 177.00 178.11 2pgq s ASP 125 N -0.53 4.88 0.19 6.66 1.47 -1.26 -4.89 116.67 123.19 2pgq s ASP 125 Ca 0.48 0.21 -0.12 0.00 1.18 0.00 0.00 52.55 54.31 2pgq s ASP 125 Cb -0.39 -0.90 0.19 0.00 -0.34 0.00 0.00 42.92 41.48 2pgq s ASP 125 CO 0.51 -1.50 1.77 -0.09 0.68 0.00 0.00 175.17 176.55 2pgq h ARG 126 N -0.39 0.45 -0.42 2.11 2.43 -1.98 -2.91 114.38 113.66 2pgq h ARG 126 Ca -0.43 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 58.57 2pgq h ARG 126 Cb 1.30 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 2pgq h ARG 126 CO 0.55 0.30 -0.30 0.93 -1.51 0.00 0.00 179.97 179.93 2pgq h GLU 127 N 0.46 0.93 -1.18 0.20 4.39 -2.04 -0.26 114.58 117.09 2pgq h GLU 127 Ca 0.26 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.51 2pgq h GLU 127 Cb 0.23 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2pgq h GLU 127 CO -0.21 1.10 0.00 2.41 -1.16 0.00 0.00 179.01 181.15 2pgq n THR 128 N -4.08 0.08 0.00 1.13 -1.04 -1.10 -1.47 114.28 107.80 2pgq n THR 128 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2pgq n THR 128 Cb 0.50 -0.37 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 2pgq n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pgq n ALA 129 N 0.74 0.00 -0.10 2.41 0.00 -0.11 -1.22 120.51 122.23 2pgq n ALA 129 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2pgq n ALA 129 Cb 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 2pgq n ALA 129 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2pgq h SER 129 N 0.00 0.76 0.41 0.00 0.87 -1.52 -3.37 113.55 110.70 2pgq h SER 129 Ca 0.00 -0.47 -0.13 0.00 -1.23 0.00 0.00 61.79 59.96 2pgq h SER 129 Cb 0.00 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 2pgq h SER 129 CO 0.00 1.07 -1.71 0.18 -0.53 0.00 0.00 176.83 175.85 2pgq n LEU 129 N -4.26 0.44 -4.20 2.23 4.77 -0.36 -4.60 117.00 111.03 2pgq n LEU 129 Ca -0.04 0.19 -0.43 0.00 -0.03 0.00 0.00 56.01 55.70 2pgq n LEU 129 Cb 0.47 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 2pgq n LEU 129 CO 0.45 0.12 1.83 0.18 -1.33 0.00 0.00 177.39 178.63 2pgq n LEU 130 N -2.64 5.85 -4.06 2.23 4.77 -1.26 -4.85 117.00 117.03 2pgq n LEU 130 Ca -0.11 -4.40 -0.21 0.00 -0.03 0.00 0.00 56.01 51.27 2pgq n LEU 130 Cb 0.77 -1.60 -0.15 0.00 -2.33 0.00 0.00 43.42 40.12 2pgq n LEU 130 CO 0.43 0.90 -0.45 -1.10 -1.33 0.00 0.00 177.39 175.84 2pgq s GLN 131 N 1.79 0.97 0.17 3.23 -0.21 -1.26 -4.95 119.66 119.40 2pgq s GLN 131 Ca 0.44 -0.41 -0.33 0.00 0.02 0.00 0.00 55.36 55.07 2pgq s GLN 131 Cb 0.04 -0.93 -0.14 0.00 1.00 0.00 0.00 33.01 32.99 2pgq s GLN 131 CO 0.00 0.24 1.60 0.00 -2.12 0.00 0.00 175.29 175.01 2pgq n ALA 132 N 2.84 1.61 0.00 6.09 0.00 -1.26 -1.91 120.51 127.88 2pgq n ALA 132 Ca -0.14 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2pgq n ALA 132 Cb 0.56 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.63 2pgq n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pgq n GLY 133 N 3.45 3.44 3.76 0.00 0.00 0.57 -4.97 105.19 111.44 2pgq n GLY 133 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2pgq n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pgq s TYR 134 N -2.88 3.76 -0.02 1.61 1.51 -0.80 -4.68 117.35 115.85 2pgq s TYR 134 Ca 0.00 1.81 -0.03 0.00 -1.01 0.00 0.00 57.07 57.83 2pgq s TYR 134 Cb 0.00 -3.09 -0.04 0.00 -0.11 0.00 0.00 41.96 38.71 2pgq s TYR 134 CO 0.00 -0.01 0.19 0.15 -1.11 0.00 0.00 175.55 174.77 2pgq s LYS 135 N -1.46 3.45 0.47 -0.62 1.02 -1.26 -0.74 119.74 120.60 2pgq s LYS 135 Ca 0.44 -0.29 0.02 0.00 0.02 0.00 0.00 55.97 56.17 2pgq s LYS 135 Cb -0.27 -3.10 -0.02 0.00 -0.52 0.00 0.00 37.83 33.92 2pgq s LYS 135 CO 0.34 0.68 0.05 0.20 -0.92 0.00 0.00 175.35 175.70 2pgq s GLY 136 N -1.86 2.85 -0.04 -3.33 0.00 -0.07 -4.86 107.32 100.02 2pgq s GLY 136 Ca 0.26 -0.77 0.04 0.00 0.00 0.00 0.00 44.72 44.25 2pgq s GLY 136 CO 0.17 -2.06 -0.16 -1.60 0.00 0.00 0.00 173.10 169.45 2pgq s ARG 137 N -3.81 1.67 -0.03 2.90 3.52 0.18 -0.42 118.95 122.95 2pgq s ARG 137 Ca 0.13 -0.56 0.06 0.00 -0.13 0.00 0.00 55.73 55.23 2pgq s ARG 137 Cb 0.02 -1.46 -0.01 0.00 -1.56 0.00 0.00 34.95 31.94 2pgq s ARG 137 CO 0.08 0.22 -0.21 0.08 -0.81 0.00 0.00 175.30 174.67 2pgq s VAL 138 N 0.06 1.66 0.03 7.11 1.01 -0.19 -0.64 120.40 129.44 2pgq s VAL 138 Ca -0.04 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.12 2pgq s VAL 138 Cb -0.11 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 2pgq s VAL 138 CO 0.02 0.47 -0.17 0.42 0.00 0.00 0.00 175.10 175.84 2pgq s THR 139 N -0.32 1.36 -0.02 3.92 -4.23 -1.24 -1.12 115.64 113.98 2pgq s THR 139 Ca 0.04 -1.03 -0.30 0.00 -1.18 0.00 0.00 61.69 59.21 2pgq s THR 139 Cb -0.10 -1.19 0.12 0.00 1.34 0.00 0.00 72.50 72.67 2pgq s THR 139 CO 0.01 0.14 1.25 -0.83 -0.54 0.00 0.00 174.62 174.65 2pgq s GLY 140 N -1.03 -0.39 -0.04 3.99 0.00 -0.40 -4.55 107.32 104.90 2pgq s GLY 140 Ca 0.05 0.76 0.15 0.00 0.00 0.00 0.00 44.72 45.68 2pgq s GLY 140 CO 0.01 0.16 1.40 0.79 0.00 0.00 0.00 173.10 175.46 2pgq n TRP 141 N -0.44 0.81 -0.98 1.90 7.02 -1.26 -1.54 117.44 122.94 2pgq n TRP 141 Ca -0.07 -0.56 -0.10 0.00 -1.02 0.00 0.00 57.50 55.75 2pgq n TRP 141 Cb 0.62 -0.09 0.07 0.00 -2.42 0.00 0.00 31.31 29.49 2pgq n TRP 141 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2pgq n GLY 142 N 0.75 -1.92 3.68 6.99 0.00 -1.26 -4.56 105.19 108.87 2pgq n GLY 142 Ca 0.18 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 2pgq n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pgq n ASN 143 N -3.45 2.46 0.07 1.61 3.02 -0.45 -3.33 115.26 115.20 2pgq n ASN 143 Ca 0.05 1.19 0.12 0.00 -0.03 0.00 0.00 54.58 55.91 2pgq n ASN 143 Cb 0.19 -1.45 0.27 0.00 -0.61 0.00 0.00 39.78 38.17 2pgq n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2pgq n LEU 144 N 0.78 0.72 -3.77 3.41 4.77 0.36 -0.66 117.00 122.61 2pgq n LEU 144 Ca 0.06 0.35 -0.10 0.00 -0.03 0.00 0.00 56.01 56.29 2pgq n LEU 144 Cb 0.36 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 2pgq n LEU 144 CO 0.61 -0.09 0.22 -0.54 -1.33 0.00 0.00 177.39 176.26 2pgq s LYS 145 N -3.13 1.34 0.29 3.23 1.02 -0.84 -4.34 119.74 117.30 2pgq s LYS 145 Ca 0.08 -0.91 -0.20 0.00 0.02 0.00 0.00 55.97 54.96 2pgq s LYS 145 Cb 0.13 0.50 -0.09 0.00 -0.52 0.00 0.00 37.83 37.85 2pgq s LYS 145 CO 0.67 -0.55 0.80 -2.00 -0.92 0.00 0.00 175.35 173.35 2pgq s GLU 146 N -3.89 4.28 -0.03 1.68 2.12 -1.26 -4.85 118.70 116.75 2pgq s GLU 146 Ca 0.10 0.96 -0.21 0.00 0.36 0.00 0.00 54.97 56.18 2pgq s GLU 146 Cb -0.00 -2.70 -0.28 0.00 0.26 0.00 0.00 34.13 31.40 2pgq s GLU 146 CO -0.03 0.28 0.96 1.79 -0.54 0.00 0.00 175.26 177.72 2pgq h THR 147 N 2.47 1.49 0.00 -1.70 1.35 -1.92 -3.49 112.91 111.12 2pgq h THR 147 Ca -0.48 -2.36 0.00 0.00 -0.55 0.00 0.00 66.41 63.02 2pgq h THR 147 Cb 1.19 3.00 0.00 0.00 -1.73 0.00 0.00 68.15 70.61 2pgq h THR 147 CO 0.65 0.67 0.00 -2.67 -0.25 0.00 0.00 175.52 173.92 2pgq n TRP 148 N -4.18 0.00 -4.22 4.73 4.27 -1.26 -4.81 117.44 111.98 2pgq n TRP 148 Ca -0.12 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.33 2pgq n TRP 148 Cb 0.75 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.60 2pgq n TRP 148 CO 0.00 0.00 0.00 0.95 -2.29 0.00 0.00 177.69 176.35 2pgq s THR 149 N 0.00 1.11 0.25 -1.67 -4.23 -1.26 -5.07 115.64 104.76 2pgq s THR 149 Ca 0.00 -1.79 0.18 0.00 -1.18 0.00 0.00 61.69 58.90 2pgq s THR 149 Cb 0.00 -1.55 0.14 0.00 1.34 0.00 0.00 72.50 72.42 2pgq s THR 149 CO 0.00 -0.58 1.79 0.00 -0.54 0.00 0.00 174.62 175.29 2pgq h ALA 149 N 3.31 1.10 0.00 3.99 0.00 -2.03 -3.04 119.26 122.59 2pgq h ALA 149 Ca -0.38 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2pgq h ALA 149 Cb 1.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2pgq h ALA 149 CO 0.56 0.45 0.00 -1.71 0.00 0.00 0.00 179.25 178.54 2pgq n ASN 149 N -3.67 0.00 -4.71 0.00 2.85 -1.26 -4.71 115.26 103.76 2pgq n ASN 149 Ca -0.01 -0.45 -0.37 0.00 -0.11 0.00 0.00 54.58 53.63 2pgq n ASN 149 Cb 0.46 -0.18 -0.07 0.00 1.24 0.00 0.00 39.78 41.23 2pgq n ASN 149 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2pgq s VAL 149 N -2.36 5.23 0.28 3.44 1.01 -1.15 -5.04 120.40 121.81 2pgq s VAL 149 Ca 0.35 0.75 -0.30 0.00 0.00 0.00 0.00 61.98 62.78 2pgq s VAL 149 Cb 0.21 -3.73 -0.13 0.00 0.00 0.00 0.00 36.38 32.73 2pgq s VAL 149 CO 0.43 0.33 1.45 0.61 0.00 0.00 0.00 175.10 177.92 2pgq n GLY 149 N 3.46 0.95 1.22 4.51 0.00 -1.26 -4.89 105.19 109.18 2pgq n GLY 149 Ca -0.09 0.45 0.12 0.00 0.00 0.00 0.00 46.02 46.50 2pgq n GLY 149 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pgq n LYS 149 N 1.75 2.58 -0.77 1.61 4.01 -1.26 -4.95 118.16 121.13 2pgq n LYS 149 Ca 0.09 -2.40 0.00 0.00 -0.51 0.00 0.00 58.31 55.49 2pgq n LYS 149 Cb 0.34 -1.53 0.00 0.00 -0.51 0.00 0.00 35.03 33.33 2pgq n LYS 149 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2pgq n GLY 150 N 1.56 -3.91 2.79 0.72 0.00 -1.26 -0.49 105.19 104.60 2pgq n GLY 150 Ca 0.21 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 2pgq n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pgq s GLN 151 N -4.10 0.84 0.67 1.61 -1.52 -1.26 -2.70 119.66 113.19 2pgq s GLN 151 Ca 0.00 -0.18 -0.13 0.00 -1.95 0.00 0.00 55.36 53.09 2pgq s GLN 151 Cb 0.00 -1.54 0.00 0.00 -0.22 0.00 0.00 33.01 31.25 2pgq s GLN 151 CO 0.00 -0.42 1.07 -1.25 -0.25 0.00 0.00 175.29 174.44 2pgq s PRO 152 N 1.86 2.92 0.00 2.91 0.04 -1.26 -4.96 135.00 136.51 2pgq s PRO 152 Ca 0.03 1.15 0.22 0.00 0.04 0.00 0.00 61.00 62.43 2pgq s PRO 152 Cb -0.14 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.34 2pgq s PRO 152 CO -0.07 -1.12 1.00 -1.13 0.04 0.00 0.00 177.00 175.72 2pgq n SER 153 N -2.71 0.87 -4.12 6.66 3.41 -1.26 -4.78 113.62 111.70 2pgq n SER 153 Ca 0.09 -0.81 -0.20 0.00 -0.26 0.00 0.00 58.87 57.69 2pgq n SER 153 Cb 0.53 0.86 -0.14 0.00 -0.26 0.00 0.00 64.21 65.20 2pgq n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2pgq s VAL 154 N -3.01 1.01 0.25 -3.33 1.01 -1.26 -2.72 120.40 112.35 2pgq s VAL 154 Ca 0.08 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.89 2pgq s VAL 154 Cb 0.16 -0.91 -0.15 0.00 0.00 0.00 0.00 36.38 35.48 2pgq s VAL 154 CO 0.83 0.03 0.98 -0.11 0.00 0.00 0.00 175.10 176.83 2pgq n LEU 155 N 2.08 1.35 -4.83 3.92 7.94 -1.26 -4.79 117.00 121.41 2pgq n LEU 155 Ca -0.17 1.17 -0.32 0.00 -1.11 0.00 0.00 56.01 55.57 2pgq n LEU 155 Cb 0.55 -1.23 -0.06 0.00 0.53 0.00 0.00 43.42 43.21 2pgq n LEU 155 CO 0.23 -1.59 -0.21 -1.10 -1.11 0.00 0.00 177.39 173.61 2pgq s GLN 156 N -1.25 3.16 -0.01 1.96 -1.52 -0.59 -1.00 119.66 120.40 2pgq s GLN 156 Ca 0.62 -0.51 0.02 0.00 -1.95 0.00 0.00 55.36 53.55 2pgq s GLN 156 Cb -0.76 -2.90 -0.00 0.00 -0.22 0.00 0.00 33.01 29.12 2pgq s GLN 156 CO 0.58 0.62 -0.08 0.08 -0.25 0.00 0.00 175.29 176.24 2pgq s VAL 157 N -1.35 0.66 0.00 1.09 1.01 0.14 -1.28 120.40 120.68 2pgq s VAL 157 Ca 0.28 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2pgq s VAL 157 Cb -0.12 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 2pgq s VAL 157 CO 0.20 0.19 -0.01 0.54 0.00 0.00 0.00 175.10 176.02 2pgq s VAL 158 N -0.10 0.08 -0.18 2.92 0.11 -0.28 -0.96 120.40 121.99 2pgq s VAL 158 Ca 0.02 -0.24 -0.08 0.00 -2.93 0.00 0.00 61.98 58.75 2pgq s VAL 158 Cb -0.04 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.65 2pgq s VAL 158 CO -0.00 -0.10 0.07 0.20 -3.33 0.00 0.00 175.10 171.94 2pgq s ASN 159 N -0.35 5.74 0.01 3.54 0.01 -1.26 -1.02 114.94 121.60 2pgq s ASN 159 Ca -0.03 0.13 0.01 0.00 -0.71 0.00 0.00 52.86 52.26 2pgq s ASN 159 Cb -0.03 -1.97 -0.01 0.00 0.41 0.00 0.00 41.25 39.66 2pgq s ASN 159 CO -0.00 0.20 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.98 2pgq s LEU 160 N 0.23 2.07 0.18 0.60 1.43 0.44 -4.95 118.68 118.69 2pgq s LEU 160 Ca 0.05 -0.20 -0.26 0.00 -1.03 0.00 0.00 54.13 52.69 2pgq s LEU 160 Cb -0.12 -0.19 -0.08 0.00 0.03 0.00 0.00 46.19 45.83 2pgq s LEU 160 CO 0.00 -0.02 0.81 -2.16 0.23 0.00 0.00 176.35 175.21 2pgq s PRO 161 N -0.49 4.61 0.34 1.29 0.04 -1.26 -0.89 135.00 138.64 2pgq s PRO 161 Ca -0.02 1.21 -0.29 0.00 0.04 0.00 0.00 61.00 61.95 2pgq s PRO 161 Cb -0.04 -3.24 -0.10 0.00 0.04 0.00 0.00 34.50 31.15 2pgq s PRO 161 CO -0.00 0.55 1.36 0.42 0.04 0.00 0.00 177.00 179.37 2pgq s ILE 162 N -1.17 2.54 0.05 0.56 1.01 0.08 -0.91 121.20 123.36 2pgq s ILE 162 Ca 0.37 0.54 0.03 0.00 0.00 0.00 0.00 60.65 61.59 2pgq s ILE 162 Cb -0.23 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2pgq s ILE 162 CO 0.27 0.13 0.04 -0.69 0.00 0.00 0.00 174.94 174.69 2pgq s VAL 163 N -1.09 4.34 0.37 2.92 1.01 -0.40 -0.31 120.40 127.24 2pgq s VAL 163 Ca 0.50 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 61.47 2pgq s VAL 163 Cb -0.42 -3.03 -0.11 0.00 0.00 0.00 0.00 36.38 32.82 2pgq s VAL 163 CO 0.55 0.22 1.51 -1.61 0.00 0.00 0.00 175.10 175.77 2pgq s GLU 164 N -2.07 4.10 0.22 2.72 8.01 -1.26 -4.63 118.70 125.78 2pgq s GLU 164 Ca 0.25 2.59 -0.08 0.00 0.01 0.00 0.00 54.97 57.74 2pgq s GLU 164 Cb -0.12 -2.97 0.34 0.00 -4.31 0.00 0.00 34.13 27.07 2pgq s GLU 164 CO 0.17 -0.56 1.72 -0.09 0.01 0.00 0.00 175.26 176.50 2pgq h ARG 165 N 3.16 0.32 -0.18 1.61 2.43 -1.98 -0.79 114.38 118.95 2pgq h ARG 165 Ca -0.51 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.59 2pgq h ARG 165 Cb 1.24 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 2pgq h ARG 165 CO 0.66 0.21 -0.12 -1.35 -1.51 0.00 0.00 179.97 177.86 2pgq h PRO 166 N 0.33 0.28 -0.26 0.20 0.11 -1.99 -0.41 132.00 130.25 2pgq h PRO 166 Ca 0.34 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.31 2pgq h PRO 166 Cb 0.50 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 2pgq h PRO 166 CO -0.39 0.41 -0.14 0.28 -0.21 0.00 0.00 178.00 177.95 2pgq h VAL 167 N 0.27 1.30 -0.45 3.15 2.07 -1.65 -2.26 116.25 118.68 2pgq h VAL 167 Ca 0.05 -1.23 0.05 0.00 0.82 0.00 0.00 66.70 66.40 2pgq h VAL 167 Cb 0.38 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 2pgq h VAL 167 CO 0.02 0.39 0.18 0.00 0.02 0.00 0.00 177.57 178.17 2pgq h LYS 169 N 0.36 1.03 0.00 0.00 3.64 -1.03 -2.07 116.57 118.50 2pgq h LYS 169 Ca 0.21 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2pgq h LYS 169 Cb 0.18 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2pgq h LYS 169 CO -0.20 0.77 0.00 -0.25 -2.27 0.00 0.00 179.45 177.50 2pgq n ASP 170 N -4.35 0.75 -0.03 4.20 8.00 -0.86 -3.42 116.55 120.85 2pgq n ASP 170 Ca 0.07 0.58 0.14 0.00 0.71 0.00 0.00 54.79 56.29 2pgq n ASP 170 Cb 0.11 -0.78 0.61 0.00 -0.02 0.00 0.00 41.12 41.05 2pgq n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2pgq n SER 171 N -2.21 0.16 -3.71 -2.24 3.41 -0.78 -4.89 113.62 103.36 2pgq n SER 171 Ca 0.05 -0.01 -0.12 0.00 -0.26 0.00 0.00 58.87 58.54 2pgq n SER 171 Cb 0.40 -0.25 -0.07 0.00 -0.26 0.00 0.00 64.21 64.03 2pgq n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2pgq s THR 172 N -2.76 0.08 -0.88 6.66 -1.32 -1.22 -4.83 115.64 111.36 2pgq s THR 172 Ca 0.21 -0.62 0.25 0.00 -1.21 0.00 0.00 61.69 60.32 2pgq s THR 172 Cb 0.19 -1.01 0.06 0.00 -1.51 0.00 0.00 72.50 70.24 2pgq s THR 172 CO 0.52 -0.34 1.47 0.54 -2.21 0.00 0.00 174.62 174.60 2pgq n ARG 173 N 0.38 0.10 -2.38 7.08 1.74 -1.26 -4.89 116.66 117.43 2pgq n ARG 173 Ca -0.18 0.03 -0.39 0.00 -0.77 0.00 0.00 57.85 56.54 2pgq n ARG 173 Cb 0.60 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.46 30.45 2pgq n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2pgq s ILE 174 N -3.05 3.31 -0.41 0.55 1.01 -1.26 -4.95 121.20 116.40 2pgq s ILE 174 Ca 0.10 1.19 -0.29 0.00 0.00 0.00 0.00 60.65 61.65 2pgq s ILE 174 Cb 0.16 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.95 2pgq s ILE 174 CO 0.68 0.18 1.18 -0.60 0.00 0.00 0.00 174.94 176.39 2pgq s ARG 175 N -1.96 3.81 0.35 2.79 3.52 -1.26 -5.00 118.95 121.20 2pgq s ARG 175 Ca 0.52 0.83 -0.23 0.00 -0.13 0.00 0.00 55.73 56.71 2pgq s ARG 175 Cb -0.31 -3.88 -0.10 0.00 -1.56 0.00 0.00 34.95 29.10 2pgq s ARG 175 CO 0.39 -1.26 0.92 0.42 -0.81 0.00 0.00 175.30 174.96 2pgq s ILE 176 N 4.40 4.32 0.37 4.11 -1.09 -1.26 -4.84 121.20 127.21 2pgq s ILE 176 Ca 0.50 1.62 0.05 0.00 -2.23 0.00 0.00 60.65 60.59 2pgq s ILE 176 Cb -0.10 -3.83 -0.07 0.00 -1.58 0.00 0.00 42.46 36.88 2pgq s ILE 176 CO 0.27 -0.03 0.04 0.42 -1.23 0.00 0.00 174.94 174.40 2pgq s THR 177 N -1.83 1.47 -1.33 2.92 -4.23 -1.26 -5.02 115.64 106.37 2pgq s THR 177 Ca 0.54 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.23 2pgq s THR 177 Cb -0.15 -2.82 0.27 0.00 1.34 0.00 0.00 72.50 71.15 2pgq s THR 177 CO 0.19 0.00 1.55 0.47 -0.54 0.00 0.00 174.62 176.29 2pgq n ASP 178 N -0.86 0.00 -0.50 3.99 8.00 -1.26 -2.22 116.55 123.71 2pgq n ASP 178 Ca -0.04 0.14 0.04 0.00 0.71 0.00 0.00 54.79 55.64 2pgq n ASP 178 Cb 0.67 -0.34 0.11 0.00 -0.02 0.00 0.00 41.12 41.54 2pgq n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2pgq n ASN 179 N -1.34 1.43 -4.06 -2.24 3.02 -1.26 -4.85 115.26 105.96 2pgq n ASN 179 Ca 0.07 -2.03 -0.10 0.00 -0.03 0.00 0.00 54.58 52.49 2pgq n ASN 179 Cb 0.16 -0.20 -0.11 0.00 -0.61 0.00 0.00 39.78 39.02 2pgq n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2pgq s MET 180 N -1.66 0.53 0.16 3.52 -1.94 -0.94 -0.88 119.30 118.09 2pgq s MET 180 Ca 0.17 -0.89 0.01 0.00 -1.71 0.00 0.00 55.69 53.26 2pgq s MET 180 Cb 0.09 -0.08 -0.04 0.00 2.01 0.00 0.00 34.83 36.80 2pgq s MET 180 CO 0.11 -0.02 0.01 -0.59 -0.01 0.00 0.00 175.02 174.52 2pgq s PHE 181 N -2.21 1.10 0.19 -0.03 -0.12 -0.48 -4.82 117.98 111.60 2pgq s PHE 181 Ca -0.05 -1.06 0.09 0.00 -0.05 0.00 0.00 56.93 55.86 2pgq s PHE 181 Cb -0.04 -0.63 -0.04 0.00 -0.63 0.00 0.00 43.02 41.68 2pgq s PHE 181 CO -0.03 -0.28 -0.19 0.00 -0.05 0.00 0.00 175.22 174.68 2pgq s ALA 183 N -2.18 -0.34 0.00 0.00 0.00 -0.48 -1.28 121.76 117.48 2pgq s ALA 183 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.83 2pgq s ALA 183 Cb -0.05 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.36 2pgq s ALA 183 CO 0.08 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.88 2pgq n GLY 184 N 0.63 3.37 3.82 0.00 0.00 -0.08 -1.84 105.19 111.09 2pgq n GLY 184 Ca -0.19 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 43.93 2pgq n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pgq s TYR 184 N -2.00 3.47 0.53 1.61 2.02 -1.26 -4.48 117.35 117.23 2pgq s TYR 184 Ca 0.00 1.46 -0.16 0.00 -0.37 0.00 0.00 57.07 58.00 2pgq s TYR 184 Cb 0.00 -2.71 -0.07 0.00 -0.40 0.00 0.00 41.96 38.78 2pgq s TYR 184 CO 0.00 0.11 0.99 0.15 -1.57 0.00 0.00 175.55 175.23 2pgq s LYS 185 N -2.66 3.90 0.52 -0.62 1.02 -1.26 -4.75 119.74 115.89 2pgq s LYS 185 Ca 0.53 0.92 0.38 0.00 0.02 0.00 0.00 55.97 57.83 2pgq s LYS 185 Cb -0.13 -2.13 1.55 0.00 -0.52 0.00 0.00 37.83 36.61 2pgq s LYS 185 CO 0.18 -0.31 1.72 -1.35 -0.92 0.00 0.00 175.35 174.66 2pgq h PRO 186 N 0.73 0.04 -0.01 -1.68 0.11 -1.95 -1.09 132.00 128.16 2pgq h PRO 186 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2pgq h PRO 186 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2pgq h PRO 186 CO 0.62 0.03 -0.28 -0.40 -0.21 0.00 0.00 178.00 177.75 2pgq n ASP 186 N -4.20 1.12 -0.19 -2.05 5.68 -1.26 -4.42 116.55 111.23 2pgq n ASP 186 Ca 0.32 -0.95 0.15 0.00 -0.50 0.00 0.00 54.79 53.81 2pgq n ASP 186 Cb 1.45 0.17 0.77 0.00 -1.14 0.00 0.00 41.12 42.37 2pgq n ASP 186 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2pgq n GLU 186 N -0.60 1.26 -1.43 0.11 1.02 -0.41 -4.92 120.64 115.67 2pgq n GLU 186 Ca 0.12 -0.38 -0.15 0.00 -0.02 0.00 0.00 57.16 56.73 2pgq n GLU 186 Cb 0.36 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.23 2pgq n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pgq n GLY 186 N 1.06 1.42 3.09 0.62 0.00 -1.26 -4.97 105.19 105.15 2pgq n GLY 186 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 2pgq n GLY 186 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pgq s LYS 186 N -3.26 0.59 0.43 1.61 2.36 -1.26 -5.17 119.74 115.05 2pgq s LYS 186 Ca 0.00 -0.89 0.03 0.00 -2.55 0.00 0.00 55.97 52.56 2pgq s LYS 186 Cb 0.00 -0.27 -0.03 0.00 -1.05 0.00 0.00 37.83 36.49 2pgq s LYS 186 CO 0.00 0.03 0.07 1.03 1.55 0.00 0.00 175.35 178.04 2pgq s ARG 187 N -2.09 1.99 0.00 4.03 0.52 -1.26 -4.72 118.95 117.41 2pgq s ARG 187 Ca -0.05 -2.22 0.00 0.00 -0.52 0.00 0.00 55.73 52.94 2pgq s ARG 187 Cb -0.07 -1.00 0.00 0.00 0.52 0.00 0.00 34.95 34.40 2pgq s ARG 187 CO -0.01 -0.38 0.00 0.41 0.02 0.00 0.00 175.30 175.34 2pgq n GLY 188 N -1.00 4.82 3.56 -3.53 0.00 -1.26 -4.95 105.19 102.83 2pgq n GLY 188 Ca -0.10 -1.03 -0.06 0.00 0.00 0.00 0.00 46.02 44.83 2pgq n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pgq s ASP 189 N 0.00 -0.22 0.87 1.61 2.15 -0.94 -4.62 116.67 115.52 2pgq s ASP 189 Ca 0.00 -0.01 -0.12 0.00 0.43 0.00 0.00 52.55 52.85 2pgq s ASP 189 Cb 0.00 0.24 0.12 0.00 -0.30 0.00 0.00 42.92 42.98 2pgq s ASP 189 CO 0.00 -0.39 1.17 0.00 -0.17 0.00 0.00 175.17 175.78 2pgq s ALA 190 N -2.69 2.16 0.35 3.66 0.00 -1.26 0.18 121.76 124.15 2pgq s ALA 190 Ca 0.08 -0.62 -0.04 0.00 0.00 0.00 0.00 51.96 51.38 2pgq s ALA 190 Cb -0.01 -2.98 0.01 0.00 0.00 0.00 0.00 23.12 20.13 2pgq s ALA 190 CO -0.06 -2.05 0.50 0.00 0.00 0.00 0.00 175.76 174.15 2pgq s ALA 191 N -3.44 0.62 0.28 0.00 0.00 -1.26 -4.60 121.76 113.36 2pgq s ALA 191 Ca 0.64 -1.44 -0.30 0.00 0.00 0.00 0.00 51.96 50.86 2pgq s ALA 191 Cb -0.12 1.11 -0.13 0.00 0.00 0.00 0.00 23.12 23.98 2pgq s ALA 191 CO 0.51 -0.81 1.27 0.39 0.00 0.00 0.00 175.76 177.12 2pgq n GLU 192 N -0.56 1.86 0.00 0.00 -0.58 -1.26 -1.40 120.64 118.70 2pgq n GLU 192 Ca 0.00 0.66 0.00 0.00 -0.42 0.00 0.00 57.16 57.40 2pgq n GLU 192 Cb 0.61 -2.22 0.00 0.00 -0.57 0.00 0.00 31.44 29.27 2pgq n GLU 192 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pgq n GLY 193 N 1.47 2.44 0.03 0.62 0.00 -1.26 -1.34 105.19 107.15 2pgq n GLY 193 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 2pgq n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pgq n ASP 194 N 0.00 0.70 -4.57 1.61 8.00 -0.49 -3.99 116.55 117.81 2pgq n ASP 194 Ca 0.00 -0.52 -0.39 0.00 0.71 0.00 0.00 54.79 54.59 2pgq n ASP 194 Cb 0.00 0.43 0.03 0.00 -0.02 0.00 0.00 41.12 41.57 2pgq n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2pgq n SER 195 N -1.40 0.39 0.00 -2.24 7.64 -1.26 -1.97 113.62 114.79 2pgq n SER 195 Ca 0.06 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.81 2pgq n SER 195 Cb 0.34 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 2pgq n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pgq n GLY 196 N 1.40 3.16 3.74 0.23 0.00 -0.57 -0.08 105.19 113.08 2pgq n GLY 196 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2pgq n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pgq s GLY 197 N -1.78 2.54 0.33 -0.02 0.00 -0.83 -3.00 107.32 104.55 2pgq s GLY 197 Ca 0.00 0.91 -0.19 0.00 0.00 0.00 0.00 44.72 45.44 2pgq s GLY 197 CO 0.00 1.30 0.82 2.56 0.00 0.00 0.00 173.10 177.78 2pgq s PRO 198 N -3.63 4.18 -0.32 2.90 0.04 -1.26 -0.86 135.00 136.05 2pgq s PRO 198 Ca 0.75 0.91 -0.07 0.00 0.04 0.00 0.00 61.00 62.63 2pgq s PRO 198 Cb -0.29 -2.49 0.02 0.00 0.04 0.00 0.00 34.50 31.78 2pgq s PRO 198 CO 0.38 0.17 0.11 0.12 0.04 0.00 0.00 177.00 177.82 2pgq s PHE 199 N -1.90 3.19 0.21 0.56 2.19 0.13 -3.64 117.98 118.72 2pgq s PHE 199 Ca 0.54 -1.05 0.10 0.00 0.33 0.00 0.00 56.93 56.85 2pgq s PHE 199 Cb -0.12 -2.29 -0.04 0.00 -1.31 0.00 0.00 43.02 39.26 2pgq s PHE 199 CO 0.18 -0.61 -0.15 0.14 1.83 0.00 0.00 175.22 176.61 2pgq s VAL 200 N 1.49 2.85 0.02 3.12 -7.23 0.18 -0.60 120.40 120.23 2pgq s VAL 200 Ca 0.02 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.27 2pgq s VAL 200 Cb -0.18 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.32 2pgq s VAL 200 CO 0.03 -0.19 -0.05 -0.04 -0.31 0.00 0.00 175.10 174.54 2pgq s MET 201 N -3.00 0.40 -0.17 4.82 -1.94 0.22 -0.65 119.30 118.99 2pgq s MET 201 Ca 0.25 -0.46 -0.19 0.00 -1.71 0.00 0.00 55.69 53.59 2pgq s MET 201 Cb -0.08 -0.25 -0.04 0.00 2.01 0.00 0.00 34.83 36.48 2pgq s MET 201 CO 0.14 0.05 0.52 0.21 -0.01 0.00 0.00 175.02 175.93 2pgq s LYS 202 N -0.88 4.25 -0.04 2.03 2.20 -1.26 -0.79 119.74 125.25 2pgq s LYS 202 Ca -0.06 0.46 -0.30 0.00 -0.36 0.00 0.00 55.97 55.71 2pgq s LYS 202 Cb -0.06 -3.51 -0.03 0.00 -1.51 0.00 0.00 37.83 32.71 2pgq s LYS 202 CO -0.00 -0.04 1.12 0.45 -0.36 0.00 0.00 175.35 176.52 2pgq s SER 203 N 0.95 7.15 0.00 1.43 0.15 0.26 -4.90 113.70 118.74 2pgq s SER 203 Ca 0.26 1.76 0.27 0.00 0.70 0.00 0.00 55.95 58.94 2pgq s SER 203 Cb -0.15 -2.56 1.35 0.00 -1.71 0.00 0.00 66.02 62.95 2pgq s SER 203 CO 0.10 -0.48 1.91 -0.81 1.20 0.00 0.00 173.24 175.17 2pgq n PRO 204 N 4.72 0.38 0.04 5.44 -0.04 -1.26 -1.66 135.00 142.62 2pgq n PRO 204 Ca 0.09 0.03 -0.21 0.00 -0.04 0.00 0.00 63.50 63.38 2pgq n PRO 204 Cb 0.48 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.29 2pgq n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2pgq h PHE 204 N 0.00 0.55 0.00 0.54 -1.00 -1.96 -3.41 116.94 111.67 2pgq h PHE 204 Ca 0.00 -0.40 0.00 0.00 2.81 0.00 0.00 57.97 60.38 2pgq h PHE 204 Cb 0.25 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.79 2pgq h PHE 204 CO 0.00 1.65 -0.07 0.27 -1.61 0.00 0.00 178.31 178.55 2pgq n ASN 204 N -3.50 0.78 -0.76 2.17 2.04 -1.25 -5.02 115.26 109.73 2pgq n ASN 204 Ca -0.26 -1.59 -0.10 0.00 -0.44 0.00 0.00 54.58 52.19 2pgq n ASN 204 Cb 1.06 -0.06 -0.04 0.00 -2.53 0.00 0.00 39.78 38.21 2pgq n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 2pgq n ASN 205 N -0.26 -5.15 -4.93 0.53 5.15 -0.67 -4.99 115.26 104.94 2pgq n ASN 205 Ca 0.01 0.24 -0.28 0.00 -0.60 0.00 0.00 54.58 53.95 2pgq n ASN 205 Cb 0.46 -3.52 -0.03 0.00 -0.53 0.00 0.00 39.78 36.16 2pgq n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2pgq s ARG 206 N -2.67 3.47 -0.06 1.20 0.52 -1.25 -4.81 118.95 115.35 2pgq s ARG 206 Ca 0.00 -0.47 -0.20 0.00 -0.52 0.00 0.00 55.73 54.54 2pgq s ARG 206 Cb 0.00 -2.96 -0.05 0.00 0.52 0.00 0.00 34.95 32.46 2pgq s ARG 206 CO 0.00 0.53 0.57 -1.58 0.02 0.00 0.00 175.30 174.84 2pgq s TRP 207 N -1.68 3.61 -0.06 -0.53 0.52 -1.26 -0.58 118.94 118.96 2pgq s TRP 207 Ca 0.36 1.10 0.05 0.00 0.02 0.00 0.00 56.10 57.63 2pgq s TRP 207 Cb -0.12 -2.62 -0.01 0.00 -1.15 0.00 0.00 33.47 29.57 2pgq s TRP 207 CO 0.28 0.25 -0.22 0.71 0.02 0.00 0.00 176.95 177.98 2pgq s TYR 208 N 0.26 2.52 -0.51 -1.98 2.02 0.03 -1.72 117.35 117.96 2pgq s TYR 208 Ca 0.30 -0.64 -0.25 0.00 -0.37 0.00 0.00 57.07 56.12 2pgq s TYR 208 Cb -0.17 -1.63 0.03 0.00 -0.40 0.00 0.00 41.96 39.79 2pgq s TYR 208 CO 0.15 -0.16 0.93 -1.14 -1.57 0.00 0.00 175.55 173.76 2pgq s GLN 209 N -0.18 3.41 0.05 -0.62 0.74 -0.00 -0.61 119.66 122.45 2pgq s GLN 209 Ca -0.02 -0.08 0.21 0.00 0.05 0.00 0.00 55.36 55.51 2pgq s GLN 209 Cb -0.14 -4.00 -0.17 0.00 1.10 0.00 0.00 33.01 29.80 2pgq s GLN 209 CO 0.03 -1.37 0.70 -1.33 -0.55 0.00 0.00 175.29 172.78 2pgq n MET 210 N 7.32 0.64 -4.02 1.67 2.81 0.23 -4.38 117.12 121.38 2pgq n MET 210 Ca 0.04 0.01 -0.09 0.00 -1.81 0.00 0.00 57.70 55.85 2pgq n MET 210 Cb 0.48 -1.68 -0.08 0.00 -0.71 0.00 0.00 33.22 31.22 2pgq n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2pgq s GLY 211 N -4.61 0.59 -0.08 3.03 0.00 -0.80 -1.74 107.32 103.72 2pgq s GLY 211 Ca -0.05 -1.06 0.03 0.00 0.00 0.00 0.00 44.72 43.64 2pgq s GLY 211 CO 0.84 -1.03 -0.17 -0.42 0.00 0.00 0.00 173.10 172.32 2pgq s ILE 212 N -3.98 1.51 0.06 0.90 1.01 -0.87 -0.69 121.20 119.15 2pgq s ILE 212 Ca 0.17 -0.71 -0.34 0.00 0.00 0.00 0.00 60.65 59.78 2pgq s ILE 212 Cb 0.05 -1.34 -0.13 0.00 0.01 0.00 0.00 42.46 41.06 2pgq s ILE 212 CO -0.01 0.44 1.72 0.52 0.00 0.00 0.00 174.94 177.61 2pgq n VAL 213 N 3.65 0.26 0.05 2.92 0.31 -0.04 -1.23 118.33 124.24 2pgq n VAL 213 Ca -0.21 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 2pgq n VAL 213 Cb 0.52 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 2pgq n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2pgq n SER 214 N 4.89 0.56 -3.57 4.52 2.88 -0.69 -1.51 113.62 120.70 2pgq n SER 214 Ca 0.19 0.14 -0.07 0.00 -1.33 0.00 0.00 58.87 57.80 2pgq n SER 214 Cb 0.30 -0.12 -0.01 0.00 -0.75 0.00 0.00 64.21 63.63 2pgq n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2pgq s TRP 215 N -2.00 -0.09 0.04 0.66 1.48 -0.95 -4.94 118.94 113.14 2pgq s TRP 215 Ca 0.00 -0.43 -0.20 0.00 -1.06 0.00 0.00 56.10 54.41 2pgq s TRP 215 Cb 0.00 0.75 0.07 0.00 -1.16 0.00 0.00 33.47 33.12 2pgq s TRP 215 CO 0.00 -1.31 0.94 0.41 -4.06 0.00 0.00 176.95 172.92 2pgq n GLY 216 N -0.49 0.46 3.35 3.67 0.00 -1.26 -0.38 105.19 110.54 2pgq n GLY 216 Ca -0.05 -1.03 -0.46 0.00 0.00 0.00 0.00 46.02 44.47 2pgq n GLY 216 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pgq s GLU 217 N -2.02 3.37 2.35 1.61 2.56 -1.26 -5.00 118.70 120.30 2pgq s GLU 217 Ca 0.22 -2.03 0.00 0.00 0.00 0.00 0.00 54.97 53.16 2pgq s GLU 217 Cb -0.01 -4.43 0.00 0.00 2.00 0.00 0.00 34.13 31.69 2pgq s GLU 217 CO 0.01 -1.39 0.00 0.41 -0.56 0.00 0.00 175.26 173.73 2pgq n GLY 219 N 4.66 0.93 3.12 -1.50 0.00 -1.26 -4.76 105.19 106.38 2pgq n GLY 219 Ca 0.05 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 2pgq n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pgq s ALA 220 N -1.62 -0.68 -1.60 4.61 0.00 -1.26 -4.88 121.76 116.34 2pgq s ALA 220 Ca 0.00 1.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.96 2pgq s ALA 220 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.50 2pgq s ALA 220 CO 0.00 -0.19 0.24 -3.47 0.00 0.00 0.00 175.76 172.34 2pgq n ASP 221 N 3.84 -5.75 -4.77 0.00 2.03 -1.26 -4.61 116.55 106.03 2pgq n ASP 221 Ca -0.21 -0.12 -0.40 0.00 0.52 0.00 0.00 54.79 54.58 2pgq n ASP 221 Cb 0.55 -4.70 -0.06 0.00 -0.72 0.00 0.00 41.12 36.19 2pgq n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2pgq s ARG 221 N -5.26 4.65 0.19 -0.67 0.52 -1.26 -4.94 118.95 112.18 2pgq s ARG 221 Ca 0.12 1.25 -0.32 0.00 -0.52 0.00 0.00 55.73 56.26 2pgq s ARG 221 Cb -0.05 -3.27 -0.12 0.00 0.52 0.00 0.00 34.95 32.02 2pgq s ARG 221 CO 0.15 0.54 1.72 -0.25 0.02 0.00 0.00 175.30 177.47 2pgq n ASP 222 N 1.65 3.89 0.00 0.23 8.00 -1.26 -2.21 116.55 126.85 2pgq n ASP 222 Ca -0.04 1.05 0.00 0.00 0.71 0.00 0.00 54.79 56.51 2pgq n ASP 222 Cb 0.48 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.03 2pgq n ASP 222 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pgq n GLY 223 N 3.94 1.11 3.65 0.44 0.00 -1.26 -5.02 105.19 108.05 2pgq n GLY 223 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 2pgq n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pgq s LYS 224 N -0.33 2.34 0.07 1.61 -0.14 -0.94 -4.78 119.74 117.57 2pgq s LYS 224 Ca 0.00 -1.22 0.02 0.00 -1.36 0.00 0.00 55.97 53.41 2pgq s LYS 224 Cb 0.00 -2.28 -0.03 0.00 -1.68 0.00 0.00 37.83 33.84 2pgq s LYS 224 CO 0.00 0.42 -0.07 0.71 -0.76 0.00 0.00 175.35 175.66 2pgq s TYR 225 N -1.91 0.74 0.24 3.18 2.02 -1.26 -4.73 117.35 115.63 2pgq s TYR 225 Ca 0.28 -0.74 -0.22 0.00 -0.37 0.00 0.00 57.07 56.02 2pgq s TYR 225 Cb -0.08 -0.44 -0.09 0.00 -0.40 0.00 0.00 41.96 40.95 2pgq s TYR 225 CO 0.19 -0.14 0.78 0.20 -1.57 0.00 0.00 175.55 175.00 2pgq s GLY 226 N -2.36 2.69 -0.02 0.71 0.00 -0.77 -4.57 107.32 103.00 2pgq s GLY 226 Ca 0.01 0.27 -0.00 0.00 0.00 0.00 0.00 44.72 45.00 2pgq s GLY 226 CO -0.03 0.66 0.06 -1.36 0.00 0.00 0.00 173.10 172.43 2pgq s PHE 227 N -1.51 3.23 0.00 1.90 0.40 0.49 -1.38 117.98 121.12 2pgq s PHE 227 Ca 0.44 0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.98 2pgq s PHE 227 Cb -0.18 -1.74 -0.01 0.00 0.51 0.00 0.00 43.02 41.61 2pgq s PHE 227 CO 0.22 0.53 -0.08 0.71 0.70 0.00 0.00 175.22 177.30 2pgq s TYR 228 N -1.13 0.70 0.17 0.36 1.51 0.01 -1.70 117.35 117.28 2pgq s TYR 228 Ca 0.21 -0.17 -0.31 0.00 -1.01 0.00 0.00 57.07 55.79 2pgq s TYR 228 Cb -0.12 -0.45 -0.09 0.00 -0.11 0.00 0.00 41.96 41.20 2pgq s TYR 228 CO 0.11 -0.01 1.40 0.99 -1.11 0.00 0.00 175.55 176.93 2pgq s THR 229 N -0.30 3.08 -0.69 -0.71 2.01 -0.37 -1.38 115.64 117.28 2pgq s THR 229 Ca 0.02 0.83 -0.26 0.00 0.31 0.00 0.00 61.69 62.58 2pgq s THR 229 Cb -0.04 -3.53 0.04 0.00 0.01 0.00 0.00 72.50 68.98 2pgq s THR 229 CO -0.00 0.09 1.19 -2.28 -0.69 0.00 0.00 174.62 172.94 2pgq s HIS 230 N 0.65 2.43 0.18 4.92 2.46 -0.06 -2.05 115.29 123.82 2pgq s HIS 230 Ca 0.62 -0.06 -0.10 0.00 0.47 0.00 0.00 55.06 55.99 2pgq s HIS 230 Cb -0.38 -4.52 0.09 0.00 -0.13 0.00 0.00 32.58 27.63 2pgq s HIS 230 CO 0.35 -1.89 1.70 0.28 -2.47 0.00 0.00 174.74 172.70 2pgq h VAL 231 N 6.04 1.26 -0.65 0.89 2.07 -1.65 -2.89 116.25 121.32 2pgq h VAL 231 Ca -0.28 -0.93 -0.07 0.00 0.82 0.00 0.00 66.70 66.25 2pgq h VAL 231 Cb 1.06 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 2pgq h VAL 231 CO 1.24 0.35 0.15 0.15 0.02 0.00 0.00 177.57 179.48 2pgq h PHE 232 N 0.94 1.08 -0.01 1.57 3.57 -1.87 -1.33 116.94 120.90 2pgq h PHE 232 Ca 0.20 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2pgq h PHE 232 Cb 0.36 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 2pgq h PHE 232 CO 0.03 0.89 0.01 0.00 -2.23 0.00 0.00 178.31 177.01 2pgq h ARG 233 N 0.98 0.00 -0.45 1.11 2.47 -1.88 -2.08 114.38 114.53 2pgq h ARG 233 Ca 0.21 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.93 2pgq h ARG 233 Cb 0.36 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 2pgq h ARG 233 CO 0.00 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.81 2pgq n LEU 234 N -3.71 3.52 0.08 3.04 4.77 -0.55 -4.66 117.00 119.49 2pgq n LEU 234 Ca -0.03 -2.21 0.02 0.00 -0.03 0.00 0.00 56.01 53.76 2pgq n LEU 234 Cb 0.09 -0.37 0.39 0.00 -2.33 0.00 0.00 43.42 41.20 2pgq n LEU 234 CO 0.26 0.78 0.96 0.50 -1.33 0.00 0.00 177.39 178.56 2pgq h LYS 235 N 2.70 0.35 -0.12 3.23 3.64 -0.80 -2.27 116.57 123.30 2pgq h LYS 235 Ca 0.00 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 2pgq h LYS 235 Cb 0.99 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 2pgq h LYS 235 CO 0.07 0.39 -0.35 0.87 -2.27 0.00 0.00 179.45 178.16 2pgq h LYS 236 N 0.34 0.24 -0.33 1.90 1.57 -1.83 -0.88 116.57 117.58 2pgq h LYS 236 Ca 0.08 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 2pgq h LYS 236 Cb 0.26 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2pgq h LYS 236 CO 0.01 0.56 -0.28 2.35 -0.57 0.00 0.00 179.45 181.52 2pgq h TRP 237 N 0.21 0.91 -0.50 -1.35 7.01 -1.77 -1.33 115.95 119.13 2pgq h TRP 237 Ca 0.02 -0.26 0.03 0.00 2.11 0.00 0.00 58.89 60.79 2pgq h TRP 237 Cb 0.72 -0.20 -0.04 0.00 -2.10 0.00 0.00 29.16 27.55 2pgq h TRP 237 CO 0.01 1.02 0.29 0.82 -2.79 0.00 0.00 178.44 177.79 2pgq h ILE 238 N 0.53 1.03 -0.53 2.65 2.04 -1.14 -0.03 117.51 122.06 2pgq h ILE 238 Ca 0.06 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2pgq h ILE 238 Cb 0.85 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 2pgq h ILE 238 CO 0.07 0.10 0.34 -0.61 0.00 0.00 0.00 178.15 178.06 2pgq h GLN 239 N 0.57 0.71 -0.61 2.37 4.15 -1.12 -0.56 115.11 120.62 2pgq h GLN 239 Ca 0.20 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.53 2pgq h GLN 239 Cb 0.04 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.55 2pgq h GLN 239 CO -0.10 0.48 0.22 -0.22 -1.93 0.00 0.00 178.83 177.28 2pgq h LYS 240 N 0.72 0.92 -0.24 1.69 3.64 -0.50 0.15 116.57 122.94 2pgq h LYS 240 Ca 0.19 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2pgq h LYS 240 Cb -0.06 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 2pgq h LYS 240 CO -0.04 0.80 -0.00 0.28 -2.27 0.00 0.00 179.45 178.22 2pgq h VAL 241 N 0.85 1.26 0.00 2.00 2.07 -0.81 -2.92 116.25 118.69 2pgq h VAL 241 Ca 0.20 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 2pgq h VAL 241 Cb 0.24 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2pgq h VAL 241 CO -0.01 0.28 -0.00 0.40 0.02 0.00 0.00 177.57 178.26 2pgq h ILE 242 N 0.19 1.55 -0.19 4.57 2.04 -0.86 4.02 117.51 128.83 2pgq h ILE 242 Ca 0.07 -1.62 -0.06 0.00 1.00 0.00 0.00 64.86 64.25 2pgq h ILE 242 Cb 0.41 2.65 -0.04 0.00 -0.74 0.00 0.00 36.82 39.11 2pgq h ILE 242 CO 0.01 0.42 0.08 0.47 0.00 0.00 0.00 178.15 179.13 2pgq n ASP 243 N -4.76 2.64 0.00 1.72 8.00 0.49 -3.03 116.55 121.61 2pgq n ASP 243 Ca -0.09 -2.31 0.00 0.00 0.71 0.00 0.00 54.79 53.10 2pgq n ASP 243 Cb 0.34 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 2pgq n ASP 243 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2pgq n GLN 244 N 0.13 0.00 -0.71 -1.24 0.00 -1.10 -4.99 117.38 109.46 2pgq n GLN 244 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.11 2pgq n GLN 244 Cb 0.63 -0.36 0.00 0.00 0.00 0.00 0.00 30.24 30.50 2pgq n GLN 244 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25