#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2afq s VAL 17 N 0.00 0.43 -1.61 1.39 -7.23 -1.00 -1.43 120.40 110.95 2afq s VAL 17 Ca 0.00 -0.53 -0.03 0.00 -1.81 0.00 0.00 61.98 59.61 2afq s VAL 17 Cb 0.00 -0.42 0.01 0.00 0.56 0.00 0.00 36.38 36.53 2afq s VAL 17 CO 0.00 -0.08 0.36 -0.62 -0.31 0.00 0.00 175.10 174.45 2afq n GLU 18 N 2.40 -3.58 -0.60 4.82 -0.58 -1.26 -1.45 120.64 120.38 2afq n GLU 18 Ca -0.17 0.91 0.00 0.00 -0.42 0.00 0.00 57.16 57.49 2afq n GLU 18 Cb 0.57 -5.69 0.00 0.00 -0.57 0.00 0.00 31.44 25.75 2afq n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2afq n GLY 19 N -1.30 1.80 3.22 0.62 0.00 -1.26 -3.65 105.19 104.62 2afq n GLY 19 Ca -0.16 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 43.65 2afq n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2afq s SER 20 N -1.00 1.58 0.19 1.61 1.04 -0.73 -4.91 113.70 111.48 2afq s SER 20 Ca 0.00 -0.97 -0.31 0.00 0.48 0.00 0.00 55.95 55.14 2afq s SER 20 Cb 0.00 0.02 -0.10 0.00 0.10 0.00 0.00 66.02 66.03 2afq s SER 20 CO 0.00 -0.35 1.58 -1.81 0.98 0.00 0.00 173.24 173.64 2afq s ASP 21 N -3.00 6.55 0.43 7.02 1.11 -1.26 -1.07 116.67 126.45 2afq s ASP 21 Ca 0.13 2.68 -0.22 0.00 0.18 0.00 0.00 52.55 55.32 2afq s ASP 21 Cb 0.02 -2.60 -0.10 0.00 1.07 0.00 0.00 42.92 41.31 2afq s ASP 21 CO -0.01 -0.84 0.98 0.00 1.18 0.00 0.00 175.17 176.49 2afq s ALA 22 N 0.97 3.02 0.54 5.23 0.00 -0.57 -4.85 121.76 126.10 2afq s ALA 22 Ca 0.69 0.50 -0.13 0.00 0.00 0.00 0.00 51.96 53.02 2afq s ALA 22 Cb -0.45 -3.19 -0.06 0.00 0.00 0.00 0.00 23.12 19.42 2afq s ALA 22 CO 0.33 -0.02 0.97 -1.21 0.00 0.00 0.00 175.76 175.83 2afq s GLU 23 N -2.98 3.78 0.23 0.00 2.02 -1.26 -4.90 118.70 115.59 2afq s GLU 23 Ca 0.61 0.78 -0.31 0.00 0.02 0.00 0.00 54.97 56.07 2afq s GLU 23 Cb -0.13 -2.16 -0.11 0.00 0.10 0.00 0.00 34.13 31.82 2afq s GLU 23 CO 0.18 -0.35 1.65 0.42 0.02 0.00 0.00 175.26 177.18 2afq s ILE 24 N -2.81 2.12 -0.69 -1.63 1.01 -1.26 -1.98 121.20 115.97 2afq s ILE 24 Ca 0.56 0.09 0.00 0.00 0.00 0.00 0.00 60.65 61.30 2afq s ILE 24 Cb -0.10 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.31 2afq s ILE 24 CO 0.40 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.96 2afq n GLY 25 N 3.27 0.83 0.14 6.18 0.00 -1.26 -4.90 105.19 109.46 2afq n GLY 25 Ca 0.13 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.81 2afq n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2afq h MET 26 N 0.19 0.00 -2.04 1.61 -1.53 -1.76 -3.36 114.93 108.03 2afq h MET 26 Ca -0.13 0.00 -0.56 0.00 -3.44 0.00 0.00 59.70 55.56 2afq h MET 26 Cb 0.61 0.00 -0.40 0.00 -0.55 0.00 0.00 31.60 31.26 2afq h MET 26 CO 0.19 0.56 -1.00 0.43 0.14 0.00 0.00 176.91 177.23 2afq n SER 27 N -3.45 1.04 0.13 1.39 7.64 -1.26 -4.96 113.62 114.15 2afq n SER 27 Ca 0.00 -2.89 0.10 0.00 1.01 0.00 0.00 58.87 57.10 2afq n SER 27 Cb 0.67 -0.64 0.49 0.00 -1.01 0.00 0.00 64.21 63.71 2afq n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2afq n PRO 28 N 1.17 0.14 -0.04 1.43 -0.04 -1.26 -1.96 135.00 134.43 2afq n PRO 28 Ca 0.23 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.34 2afq n PRO 28 Cb 0.51 -1.86 0.36 0.00 -0.04 0.00 0.00 33.50 32.47 2afq n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2afq n TRP 29 N -2.15 0.12 -2.06 0.54 2.14 -1.07 -2.13 117.44 112.83 2afq n TRP 29 Ca 0.00 -0.06 -0.42 0.00 2.07 0.00 0.00 57.50 59.10 2afq n TRP 29 Cb 0.11 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.59 2afq n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2afq s GLN 30 N -1.88 4.28 0.01 -2.67 2.00 -0.83 -0.92 119.66 119.64 2afq s GLN 30 Ca 0.35 2.21 0.04 0.00 -2.00 0.00 0.00 55.36 55.96 2afq s GLN 30 Cb 0.20 -3.19 -0.01 0.00 0.80 0.00 0.00 33.01 30.81 2afq s GLN 30 CO 0.31 -0.48 -0.14 0.08 -0.50 0.00 0.00 175.29 174.56 2afq s VAL 31 N 0.83 1.09 -0.19 1.34 1.01 -0.64 -4.04 120.40 119.80 2afq s VAL 31 Ca 0.65 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 2afq s VAL 31 Cb -0.40 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 2afq s VAL 31 CO 0.34 0.20 -0.02 -0.04 0.00 0.00 0.00 175.10 175.57 2afq s MET 32 N -0.61 3.55 -0.25 2.72 1.00 -0.57 -1.06 119.30 124.09 2afq s MET 32 Ca 0.04 -0.56 -0.14 0.00 0.00 0.00 0.00 55.69 55.03 2afq s MET 32 Cb -0.06 -3.01 -0.04 0.00 0.00 0.00 0.00 34.83 31.72 2afq s MET 32 CO 0.00 0.01 0.32 -1.17 0.00 0.00 0.00 175.02 174.19 2afq s LEU 33 N 0.97 4.08 0.12 -0.03 2.96 -0.43 -1.81 118.68 124.54 2afq s LEU 33 Ca 0.01 0.28 0.10 0.00 -0.22 0.00 0.00 54.13 54.30 2afq s LEU 33 Cb -0.14 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 2afq s LEU 33 CO 0.01 -0.10 -0.26 -0.36 -1.32 0.00 0.00 176.35 174.33 2afq s PHE 34 N 1.66 2.22 -0.05 5.38 0.40 -0.49 -0.42 117.98 126.67 2afq s PHE 34 Ca 0.14 -0.39 -0.15 0.00 -0.60 0.00 0.00 56.93 55.93 2afq s PHE 34 Cb -0.15 -1.22 -0.05 0.00 0.51 0.00 0.00 43.02 42.11 2afq s PHE 34 CO 0.09 0.29 0.40 0.50 0.70 0.00 0.00 175.22 177.20 2afq s ARG 35 N -1.94 4.04 0.07 0.44 3.52 -0.23 -2.20 118.95 122.64 2afq s ARG 35 Ca 0.12 0.37 -0.32 0.00 -0.13 0.00 0.00 55.73 55.78 2afq s ARG 35 Cb -0.10 -3.29 -0.18 0.00 -1.56 0.00 0.00 34.95 29.82 2afq s ARG 35 CO 0.05 0.53 1.61 0.87 -0.81 0.00 0.00 175.30 177.55 2afq h LYS 36 N 5.38 -0.79 -3.15 5.12 1.57 -1.53 -2.71 116.57 120.45 2afq h LYS 36 Ca -0.48 0.05 -0.29 0.00 -1.87 0.00 0.00 60.65 58.06 2afq h LYS 36 Cb 1.20 0.18 -0.35 0.00 0.08 0.00 0.00 32.23 33.34 2afq h LYS 36 CO 0.66 -0.52 -0.64 0.45 -0.57 0.00 0.00 179.45 178.83 2afq s SER 36 N -4.49 0.57 0.30 0.86 0.15 -1.26 -2.11 113.70 107.73 2afq s SER 36 Ca -0.17 0.30 -0.29 0.00 0.70 0.00 0.00 55.95 56.50 2afq s SER 36 Cb 0.03 0.22 -0.09 0.00 -1.71 0.00 0.00 66.02 64.47 2afq s SER 36 CO 0.62 -0.22 1.12 -2.16 1.20 0.00 0.00 173.24 173.79 2afq s PRO 37 N 2.01 4.53 -0.20 5.44 0.04 -1.26 -5.05 135.00 140.51 2afq s PRO 37 Ca 0.00 1.81 -0.36 0.00 0.04 0.00 0.00 61.00 62.49 2afq s PRO 37 Cb -0.12 -3.08 -0.13 0.00 0.04 0.00 0.00 34.50 31.21 2afq s PRO 37 CO -0.06 0.11 1.88 0.94 0.04 0.00 0.00 177.00 179.91 2afq n GLN 38 N 0.95 1.66 -3.68 4.56 -0.06 -0.90 -4.69 117.38 115.22 2afq n GLN 38 Ca -0.00 0.59 -0.11 0.00 -2.00 0.00 0.00 57.00 55.48 2afq n GLN 38 Cb 0.45 -2.43 -0.09 0.00 -4.06 0.00 0.00 30.24 24.11 2afq n GLN 38 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 2afq s GLU 39 N 4.22 0.56 -0.27 3.69 2.12 -1.02 -4.96 118.70 123.04 2afq s GLU 39 Ca 0.97 0.88 -0.29 0.00 0.36 0.00 0.00 54.97 56.89 2afq s GLU 39 Cb -0.85 0.14 -0.01 0.00 0.26 0.00 0.00 34.13 33.68 2afq s GLU 39 CO 0.56 -0.12 1.37 -1.17 -0.54 0.00 0.00 175.26 175.36 2afq s LEU 40 N 1.03 3.91 -0.17 2.70 2.96 -1.26 -1.07 118.68 126.78 2afq s LEU 40 Ca -0.06 1.33 -0.17 0.00 -0.22 0.00 0.00 54.13 55.02 2afq s LEU 40 Cb -0.06 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.87 2afq s LEU 40 CO -0.09 -1.09 0.32 -0.07 -1.32 0.00 0.00 176.35 174.09 2afq h LEU 41 N 10.96 0.18 -7.95 -0.68 3.38 -1.09 -3.49 115.31 116.63 2afq h LEU 41 Ca -0.28 -0.70 0.07 0.00 0.09 0.00 0.00 57.88 57.06 2afq h LEU 41 Cb 1.11 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 2afq h LEU 41 CO 1.02 1.61 0.38 0.00 0.09 0.00 0.00 178.44 181.54 2afq s GLY 43 N -3.12 1.82 0.21 0.00 0.00 -0.01 -1.31 107.32 104.91 2afq s GLY 43 Ca 0.16 -1.52 -0.22 0.00 0.00 0.00 0.00 44.72 43.14 2afq s GLY 43 CO 0.08 -1.17 0.98 0.00 0.00 0.00 0.00 173.10 172.99 2afq s ALA 44 N -2.80 -1.46 0.01 3.20 0.00 -0.22 -3.41 121.76 117.08 2afq s ALA 44 Ca 0.60 -0.33 -0.02 0.00 0.00 0.00 0.00 51.96 52.21 2afq s ALA 44 Cb -0.09 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 2afq s ALA 44 CO 0.39 -1.05 0.01 -1.54 0.00 0.00 0.00 175.76 173.58 2afq s SER 45 N -3.27 0.16 -0.25 0.00 1.04 0.14 -1.62 113.70 109.90 2afq s SER 45 Ca 0.19 -0.36 -0.18 0.00 0.48 0.00 0.00 55.95 56.08 2afq s SER 45 Cb -0.03 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.18 2afq s SER 45 CO 0.06 -0.27 0.54 -0.22 0.98 0.00 0.00 173.24 174.33 2afq s LEU 46 N -1.22 4.07 0.00 2.42 2.96 -0.10 -0.48 118.68 126.33 2afq s LEU 46 Ca -0.13 0.58 0.07 0.00 -0.22 0.00 0.00 54.13 54.43 2afq s LEU 46 Cb -0.08 -2.71 0.02 0.00 0.50 0.00 0.00 46.19 43.92 2afq s LEU 46 CO -0.00 -0.29 0.61 2.30 -1.32 0.00 0.00 176.35 177.65 2afq n ILE 47 N 5.08 0.00 -3.84 6.68 -5.35 -0.80 -1.32 119.36 119.82 2afq n ILE 47 Ca -0.03 -0.46 0.01 0.00 -0.27 0.00 0.00 62.75 61.99 2afq n ILE 47 Cb 0.50 1.11 0.01 0.00 -1.74 0.00 0.00 39.64 39.52 2afq n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2afq s SER 48 N -0.89 -0.03 0.03 7.28 1.04 -1.21 -4.75 113.70 115.18 2afq s SER 48 Ca 0.07 -0.30 0.14 0.00 0.48 0.00 0.00 55.95 56.34 2afq s SER 48 Cb 0.06 0.25 0.58 0.00 0.10 0.00 0.00 66.02 67.01 2afq s SER 48 CO 0.14 -0.49 1.43 -0.90 0.98 0.00 0.00 173.24 174.41 2afq n ASP 49 N -0.89 0.07 0.00 7.02 5.75 -1.26 -3.34 116.55 123.90 2afq n ASP 49 Ca -0.02 0.52 0.00 0.00 -0.01 0.00 0.00 54.79 55.28 2afq n ASP 49 Cb 0.60 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 2afq n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2afq n ARG 50 N -1.57 1.94 -5.27 0.11 5.12 -1.26 -1.03 116.66 114.70 2afq n ARG 50 Ca 0.03 -0.10 -0.31 0.00 -1.93 0.00 0.00 57.85 55.54 2afq n ARG 50 Cb 0.15 -0.45 -0.16 0.00 -1.16 0.00 0.00 32.46 30.84 2afq n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2afq s TRP 51 N -0.31 2.39 -0.02 -1.55 0.52 -1.21 -1.17 118.94 117.59 2afq s TRP 51 Ca 0.00 -0.63 0.05 0.00 0.02 0.00 0.00 56.10 55.54 2afq s TRP 51 Cb 0.00 -1.56 -0.01 0.00 -1.15 0.00 0.00 33.47 30.75 2afq s TRP 51 CO 0.00 -0.16 -0.16 0.08 0.02 0.00 0.00 176.95 176.73 2afq s VAL 52 N -0.30 1.32 -0.08 4.03 1.01 -0.51 -1.89 120.40 123.97 2afq s VAL 52 Ca 0.01 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 2afq s VAL 52 Cb -0.13 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 2afq s VAL 52 CO 0.02 0.38 -0.02 -0.22 0.00 0.00 0.00 175.10 175.26 2afq s LEU 53 N -0.20 3.45 0.00 3.92 2.96 0.37 -1.11 118.68 128.07 2afq s LEU 53 Ca 0.02 0.09 -0.03 0.00 -0.22 0.00 0.00 54.13 53.99 2afq s LEU 53 Cb -0.08 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.84 2afq s LEU 53 CO 0.00 0.37 0.22 1.07 -1.32 0.00 0.00 176.35 176.69 2afq n THR 54 N 2.22 0.00 -3.54 3.68 5.66 -0.76 -0.69 114.28 120.85 2afq n THR 54 Ca -0.18 -0.47 -0.38 0.00 -3.05 0.00 0.00 64.05 59.97 2afq n THR 54 Cb 0.53 0.36 -0.06 0.00 -1.55 0.00 0.00 70.33 69.61 2afq n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2afq s ALA 55 N -1.66 3.72 0.31 1.79 0.00 -1.26 -1.65 121.76 123.00 2afq s ALA 55 Ca 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 51.96 51.76 2afq s ALA 55 Cb -0.01 -2.34 0.48 0.00 0.00 0.00 0.00 23.12 21.25 2afq s ALA 55 CO 0.06 0.50 1.96 0.00 0.00 0.00 0.00 175.76 178.28 2afq h ALA 56 N 4.72 1.45 0.00 0.00 0.00 -1.72 -2.36 119.26 121.35 2afq h ALA 56 Ca -0.52 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2afq h ALA 56 Cb 1.22 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2afq h ALA 56 CO 0.61 0.49 0.00 -2.39 0.00 0.00 0.00 179.25 177.96 2afq n HIS 57 N -4.43 0.14 0.19 0.00 1.44 -1.26 -0.78 115.22 110.52 2afq n HIS 57 Ca 0.10 0.06 0.08 0.00 -2.01 0.00 0.00 57.72 55.95 2afq n HIS 57 Cb 0.06 -0.60 0.15 0.00 0.12 0.00 0.00 29.99 29.72 2afq n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2afq n LEU 59 N -3.17 0.00 -3.61 0.00 4.77 -0.12 -4.97 117.00 109.91 2afq n LEU 59 Ca 0.03 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.74 2afq n LEU 59 Cb 0.60 0.15 -0.16 0.00 -2.33 0.00 0.00 43.42 41.68 2afq n LEU 59 CO 0.36 0.15 -0.33 -0.22 -1.33 0.00 0.00 177.39 176.02 2afq s LEU 60 N -4.35 0.49 0.12 2.23 2.96 0.04 -2.79 118.68 117.37 2afq s LEU 60 Ca -0.04 -0.81 -0.22 0.00 -0.22 0.00 0.00 54.13 52.84 2afq s LEU 60 Cb 0.04 -0.31 0.06 0.00 0.50 0.00 0.00 46.19 46.48 2afq s LEU 60 CO 0.37 -0.37 0.54 -0.47 -1.32 0.00 0.00 176.35 175.10 2afq s TYR 60 N 2.10 -0.45 0.00 5.38 5.04 0.73 -4.29 117.35 125.86 2afq s TYR 60 Ca 0.04 0.30 0.00 0.00 -2.44 0.00 0.00 57.07 54.97 2afq s TYR 60 Cb -0.16 0.44 0.00 0.00 0.35 0.00 0.00 41.96 42.59 2afq s TYR 60 CO -0.16 -0.76 0.00 -2.30 -1.34 0.00 0.00 175.55 170.99 2afq n PRO 60 N -0.12 0.00 -0.99 4.97 -0.02 -1.26 -1.87 135.00 135.70 2afq n PRO 60 Ca -0.17 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.23 2afq n PRO 60 Cb 0.63 -0.03 0.27 0.00 -0.02 0.00 0.00 33.50 34.36 2afq n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2afq n TRP 60 N 0.00 2.31 -2.32 6.00 8.01 -1.26 -4.93 117.44 125.25 2afq n TRP 60 Ca 0.00 -1.33 -0.12 0.00 -1.31 0.00 0.00 57.50 54.74 2afq n TRP 60 Cb 0.00 -0.69 -0.01 0.00 -2.01 0.00 0.00 31.31 28.60 2afq n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 2afq n ASP 60 N -0.44 -3.75 -4.46 -0.99 8.00 -1.20 -4.89 116.55 108.82 2afq n ASP 60 Ca 0.42 0.21 -0.43 0.00 0.71 0.00 0.00 54.79 55.70 2afq n ASP 60 Cb 1.37 -3.23 -0.03 0.00 -0.02 0.00 0.00 41.12 39.21 2afq n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2afq s LYS 60 N -4.80 3.36 -0.43 -1.24 2.20 -0.78 -4.87 119.74 113.17 2afq s LYS 60 Ca 0.00 -1.28 0.05 0.00 -0.36 0.00 0.00 55.97 54.37 2afq s LYS 60 Cb 0.00 -4.62 0.17 0.00 -1.51 0.00 0.00 37.83 31.87 2afq s LYS 60 CO 0.00 -1.82 0.48 0.54 -0.36 0.00 0.00 175.35 174.19 2afq s ASN 60 N 3.75 0.34 0.23 1.43 4.22 -1.25 -0.19 114.94 123.46 2afq s ASN 60 Ca 0.28 -2.13 -0.04 0.00 -2.14 0.00 0.00 52.86 48.83 2afq s ASN 60 Cb -0.10 0.68 -0.05 0.00 1.28 0.00 0.00 41.25 43.05 2afq s ASN 60 CO -0.00 -0.16 0.47 -0.36 -2.04 0.00 0.00 177.10 175.01 2afq s PHE 60 N 0.79 3.47 0.44 1.54 0.08 -1.12 -5.07 117.98 118.10 2afq s PHE 60 Ca 0.27 0.57 0.07 0.00 0.12 0.00 0.00 56.93 57.96 2afq s PHE 60 Cb -0.03 -2.04 -0.03 0.00 -0.57 0.00 0.00 43.02 40.35 2afq s PHE 60 CO -0.09 0.29 0.27 0.95 -0.10 0.00 0.00 175.22 176.54 2afq s THR 60 N -1.90 2.28 0.53 0.64 -4.23 -1.26 -4.97 115.64 106.73 2afq s THR 60 Ca 0.42 -1.57 0.23 0.00 -1.18 0.00 0.00 61.69 59.59 2afq s THR 60 Cb -0.11 -2.85 0.35 0.00 1.34 0.00 0.00 72.50 71.23 2afq s THR 60 CO 0.27 0.00 2.06 1.05 -0.54 0.00 0.00 174.62 177.46 2afq h GLU 61 N 1.20 0.00 -0.00 3.99 9.09 -1.92 -1.97 114.58 124.97 2afq h GLU 61 Ca -0.41 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.00 2afq h GLU 61 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.37 2afq h GLU 61 CO 0.64 0.00 -0.02 -1.71 0.05 0.00 0.00 179.01 177.98 2afq n ASN 62 N -4.36 0.02 0.02 3.06 5.15 -1.26 -3.29 115.26 114.60 2afq n ASN 62 Ca 0.05 0.37 0.13 0.00 -0.60 0.00 0.00 54.58 54.53 2afq n ASN 62 Cb 0.40 -0.44 0.45 0.00 -0.53 0.00 0.00 39.78 39.66 2afq n ASN 62 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2afq n ASP 63 N -1.46 0.31 -4.43 1.20 8.00 -0.74 -4.93 116.55 114.50 2afq n ASP 63 Ca 0.08 0.27 -0.27 0.00 0.71 0.00 0.00 54.79 55.59 2afq n ASP 63 Cb 0.32 -0.28 -0.09 0.00 -0.02 0.00 0.00 41.12 41.06 2afq n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2afq s LEU 64 N -3.33 2.23 0.10 0.64 1.43 -1.21 -1.33 118.68 117.21 2afq s LEU 64 Ca 0.12 -1.56 -0.25 0.00 -1.03 0.00 0.00 54.13 51.41 2afq s LEU 64 Cb 0.17 -0.43 0.08 0.00 0.03 0.00 0.00 46.19 46.04 2afq s LEU 64 CO 0.60 -0.77 0.71 -1.48 0.23 0.00 0.00 176.35 175.64 2afq s LEU 65 N -3.66 -0.50 0.13 1.79 0.05 -0.93 -4.42 118.68 111.14 2afq s LEU 65 Ca 0.24 0.00 0.07 0.00 0.05 0.00 0.00 54.13 54.49 2afq s LEU 65 Cb 0.05 2.39 -0.04 0.00 -2.05 0.00 0.00 46.19 46.54 2afq s LEU 65 CO 0.12 -0.84 -0.17 0.68 -0.55 0.00 0.00 176.35 175.59 2afq s VAL 66 N -3.52 1.54 -0.07 1.48 -7.23 -0.50 -1.40 120.40 110.70 2afq s VAL 66 Ca 0.02 -1.72 0.05 0.00 -1.81 0.00 0.00 61.98 58.52 2afq s VAL 66 Cb -0.01 -1.60 -0.00 0.00 0.56 0.00 0.00 36.38 35.33 2afq s VAL 66 CO -0.12 -0.31 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.02 2afq s ARG 67 N -2.50 2.47 0.04 4.82 0.52 -0.75 -1.30 118.95 122.24 2afq s ARG 67 Ca 0.10 -0.79 0.07 0.00 -0.52 0.00 0.00 55.73 54.59 2afq s ARG 67 Cb -0.06 -2.00 -0.02 0.00 0.52 0.00 0.00 34.95 33.38 2afq s ARG 67 CO 0.04 0.25 -0.20 0.42 0.02 0.00 0.00 175.30 175.84 2afq s ILE 68 N 0.12 1.57 0.00 1.52 1.01 -0.10 -1.51 121.20 123.81 2afq s ILE 68 Ca -0.10 -1.14 0.00 0.00 0.00 0.00 0.00 60.65 59.41 2afq s ILE 68 Cb -0.15 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 40.95 2afq s ILE 68 CO 0.05 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.79 2afq n GLY 69 N 1.91 0.70 3.73 6.18 0.00 -1.26 -0.96 105.19 115.49 2afq n GLY 69 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 2afq n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2afq s LYS 70 N -0.34 4.51 -0.19 1.61 1.02 -1.26 -4.37 119.74 120.71 2afq s LYS 70 Ca 0.00 1.11 0.04 0.00 0.02 0.00 0.00 55.97 57.14 2afq s LYS 70 Cb 0.00 -3.40 -0.14 0.00 -0.52 0.00 0.00 37.83 33.76 2afq s LYS 70 CO 0.00 0.16 -0.13 1.58 -0.92 0.00 0.00 175.35 176.04 2afq n HIS 71 N 3.26 0.00 -4.33 3.18 -0.00 -1.26 -4.90 115.22 111.17 2afq n HIS 71 Ca -0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.37 2afq n HIS 71 Cb 0.51 -0.78 -0.10 0.00 -0.00 0.00 0.00 29.99 29.62 2afq n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2afq s SER 72 N -5.75 5.25 0.00 0.26 0.15 -1.26 -1.47 113.70 110.88 2afq s SER 72 Ca -0.23 0.11 0.27 0.00 0.70 0.00 0.00 55.95 56.80 2afq s SER 72 Cb 0.07 -1.58 0.89 0.00 -1.71 0.00 0.00 66.02 63.68 2afq s SER 72 CO 0.50 0.33 1.65 -1.14 1.20 0.00 0.00 173.24 175.78 2afq n ARG 73 N 2.46 1.00 -0.00 5.44 0.63 -0.86 -4.17 116.66 121.16 2afq n ARG 73 Ca -0.18 -0.56 0.00 0.00 -0.92 0.00 0.00 57.85 56.19 2afq n ARG 73 Cb 0.53 -1.49 -0.00 0.00 0.45 0.00 0.00 32.46 31.95 2afq n ARG 73 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 2afq n THR 74 N -0.52 0.00 -4.07 5.15 -1.04 -1.26 -5.03 114.28 107.51 2afq n THR 74 Ca 0.14 -0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.79 2afq n THR 74 Cb 0.34 0.01 -0.08 0.00 -1.82 0.00 0.00 70.33 68.77 2afq n THR 74 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2afq s ARG 75 N -2.00 3.52 -0.42 -2.82 3.00 -1.26 -5.07 118.95 113.91 2afq s ARG 75 Ca -0.00 -0.29 -0.25 0.00 0.00 0.00 0.00 55.73 55.19 2afq s ARG 75 Cb 0.00 -3.09 0.02 0.00 0.00 0.00 0.00 34.95 31.89 2afq s ARG 75 CO 0.00 0.56 0.89 -0.47 0.00 0.00 0.00 175.30 176.28 2afq s TYR 76 N -0.44 3.00 -1.02 -0.53 5.04 -1.26 -4.69 117.35 117.45 2afq s TYR 76 Ca 0.10 0.50 -0.15 0.00 -2.44 0.00 0.00 57.07 55.09 2afq s TYR 76 Cb -0.12 -3.76 0.19 0.00 0.35 0.00 0.00 41.96 38.61 2afq s TYR 76 CO 0.02 -0.95 1.15 -1.83 -1.34 0.00 0.00 175.55 172.59 2afq s GLU 77 N 3.53 3.85 0.51 4.97 -1.05 -1.26 -5.03 118.70 124.23 2afq s GLU 77 Ca 0.36 -2.40 -0.23 0.00 -0.15 0.00 0.00 54.97 52.55 2afq s GLU 77 Cb -0.11 -4.80 -0.06 0.00 -0.44 0.00 0.00 34.13 28.71 2afq s GLU 77 CO 0.22 -1.59 1.38 -0.98 0.95 0.00 0.00 175.26 175.25 2afq s ARG 77 N 1.18 3.35 0.00 -4.83 3.03 -1.26 -1.70 118.95 118.72 2afq s ARG 77 Ca 0.32 2.29 0.00 0.00 2.03 0.00 0.00 55.73 60.38 2afq s ARG 77 Cb -0.06 -2.40 0.00 0.00 -1.03 0.00 0.00 34.95 31.45 2afq s ARG 77 CO -0.06 -1.04 0.00 0.27 -1.13 0.00 0.00 175.30 173.34 2afq n ASN 78 N -0.72 0.00 -0.01 -2.89 2.04 -1.26 -4.72 115.26 107.71 2afq n ASN 78 Ca 0.08 0.00 -0.03 0.00 -0.44 0.00 0.00 54.58 54.19 2afq n ASN 78 Cb 0.44 -0.58 -0.01 0.00 -2.53 0.00 0.00 39.78 37.10 2afq n ASN 78 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 2afq n ILE 79 N -2.00 1.22 -2.51 1.53 5.41 -0.89 -5.03 119.36 117.09 2afq n ILE 79 Ca 0.00 0.29 -0.36 0.00 1.00 0.00 0.00 62.75 63.68 2afq n ILE 79 Cb 0.00 -1.84 -0.03 0.00 -0.71 0.00 0.00 39.64 37.05 2afq n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2afq s GLU 80 N -2.25 3.99 0.08 0.38 -1.05 -0.69 -4.78 118.70 114.38 2afq s GLU 80 Ca -0.11 1.49 0.07 0.00 -0.15 0.00 0.00 54.97 56.26 2afq s GLU 80 Cb 0.02 -2.37 -0.03 0.00 -0.44 0.00 0.00 34.13 31.30 2afq s GLU 80 CO 0.16 -0.29 -0.18 0.15 0.95 0.00 0.00 175.26 176.06 2afq s LYS 81 N -2.77 1.01 -0.09 -4.83 -0.14 -0.13 -4.91 119.74 107.88 2afq s LYS 81 Ca 0.62 -1.02 0.00 0.00 -1.36 0.00 0.00 55.97 54.21 2afq s LYS 81 Cb -0.21 -1.14 -0.03 0.00 -1.68 0.00 0.00 37.83 34.78 2afq s LYS 81 CO 0.26 0.27 -0.08 0.42 -0.76 0.00 0.00 175.35 175.45 2afq s ILE 82 N -1.14 3.55 -0.01 2.17 1.01 -1.26 -0.92 121.20 124.59 2afq s ILE 82 Ca 0.03 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.19 2afq s ILE 82 Cb -0.10 -2.47 -0.00 0.00 0.01 0.00 0.00 42.46 39.90 2afq s ILE 82 CO 0.03 0.56 -0.10 -0.44 0.00 0.00 0.00 174.94 174.99 2afq s SER 83 N -0.35 1.25 0.39 3.58 0.01 -0.42 -5.00 113.70 113.16 2afq s SER 83 Ca 0.05 -0.19 -0.01 0.00 1.31 0.00 0.00 55.95 57.10 2afq s SER 83 Cb -0.12 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 65.88 2afq s SER 83 CO 0.02 0.11 0.62 -0.04 0.41 0.00 0.00 173.24 174.37 2afq s MET 84 N -0.12 3.46 -0.12 12.44 -1.94 -1.26 -1.41 119.30 130.34 2afq s MET 84 Ca 0.02 -0.22 -0.07 0.00 -1.71 0.00 0.00 55.69 53.72 2afq s MET 84 Cb -0.05 -2.58 -0.04 0.00 2.01 0.00 0.00 34.83 34.17 2afq s MET 84 CO -0.00 0.02 0.12 -0.51 -0.01 0.00 0.00 175.02 174.64 2afq s LEU 85 N -4.45 4.27 -0.13 -0.03 1.43 -1.26 -0.95 118.68 117.56 2afq s LEU 85 Ca 0.43 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 2afq s LEU 85 Cb -0.10 -2.04 -0.24 0.00 0.03 0.00 0.00 46.19 43.84 2afq s LEU 85 CO 0.38 0.38 0.32 1.21 0.23 0.00 0.00 176.35 178.88 2afq n GLU 86 N 2.17 0.71 -3.52 1.70 2.13 0.21 -4.65 120.64 119.38 2afq n GLU 86 Ca -0.19 0.24 -0.15 0.00 0.66 0.00 0.00 57.16 57.71 2afq n GLU 86 Cb 0.55 -1.69 -0.05 0.00 0.27 0.00 0.00 31.44 30.52 2afq n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2afq s LYS 87 N -2.56 0.96 0.05 5.31 2.47 -1.15 -4.94 119.74 119.88 2afq s LYS 87 Ca -0.20 0.13 0.07 0.00 -1.56 0.00 0.00 55.97 54.41 2afq s LYS 87 Cb 0.07 0.45 -0.03 0.00 -1.46 0.00 0.00 37.83 36.86 2afq s LYS 87 CO 0.76 -0.32 -0.18 0.42 0.16 0.00 0.00 175.35 176.19 2afq s ILE 88 N -1.53 2.81 -0.12 5.43 1.01 -1.26 -1.02 121.20 126.52 2afq s ILE 88 Ca -0.07 -1.21 -0.01 0.00 0.00 0.00 0.00 60.65 59.35 2afq s ILE 88 Cb -0.00 -2.20 0.04 0.00 0.01 0.00 0.00 42.46 40.31 2afq s ILE 88 CO 0.05 0.31 -0.02 -0.31 0.00 0.00 0.00 174.94 174.97 2afq s TYR 89 N -0.95 1.09 -0.14 3.97 1.51 0.21 -5.00 117.35 118.03 2afq s TYR 89 Ca 0.15 -0.58 -0.04 0.00 -1.01 0.00 0.00 57.07 55.60 2afq s TYR 89 Cb -0.11 -1.02 -0.03 0.00 -0.11 0.00 0.00 41.96 40.69 2afq s TYR 89 CO 0.06 -0.47 -0.01 0.42 -1.11 0.00 0.00 175.55 174.43 2afq s ILE 90 N 1.84 4.13 0.01 2.71 1.01 -1.26 -0.90 121.20 128.73 2afq s ILE 90 Ca 0.03 -0.28 -0.36 0.00 0.00 0.00 0.00 60.65 60.04 2afq s ILE 90 Cb -0.14 -2.80 -0.15 0.00 0.01 0.00 0.00 42.46 39.39 2afq s ILE 90 CO -0.07 0.52 1.57 1.57 0.00 0.00 0.00 174.94 178.53 2afq n HIS 91 N 3.18 1.96 0.27 3.97 -0.00 -1.14 -4.82 115.22 118.64 2afq n HIS 91 Ca -0.17 0.41 0.17 0.00 -0.00 0.00 0.00 57.72 58.13 2afq n HIS 91 Cb 0.53 -2.47 0.90 0.00 -0.00 0.00 0.00 29.99 28.95 2afq n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2afq h PRO 92 N 6.19 0.00 -0.35 1.57 0.13 -1.95 -1.47 132.00 136.13 2afq h PRO 92 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2afq h PRO 92 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2afq h PRO 92 CO 0.87 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.18 2afq n ARG 93 N -2.72 3.08 -1.85 0.86 1.74 -1.26 -5.00 116.66 111.52 2afq n ARG 93 Ca -0.02 -2.59 -0.42 0.00 -0.77 0.00 0.00 57.85 54.05 2afq n ARG 93 Cb 0.13 -1.67 -0.03 0.00 -1.02 0.00 0.00 32.46 29.87 2afq n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2afq s TYR 94 N -2.09 2.47 -0.32 -1.55 5.04 -0.56 -4.73 117.35 115.62 2afq s TYR 94 Ca 0.37 0.26 -0.02 0.00 -2.44 0.00 0.00 57.07 55.24 2afq s TYR 94 Cb 0.27 -4.04 0.06 0.00 0.35 0.00 0.00 41.96 38.59 2afq s TYR 94 CO 0.13 -4.15 0.04 1.21 -1.34 0.00 0.00 175.55 171.44 2afq s ASN 95 N 2.22 4.99 -0.08 4.32 3.84 -0.70 -4.95 114.94 124.58 2afq s ASN 95 Ca 0.76 -1.37 0.20 0.00 0.21 0.00 0.00 52.86 52.66 2afq s ASN 95 Cb -0.43 -1.74 -0.29 0.00 -0.55 0.00 0.00 41.25 38.24 2afq s ASN 95 CO 0.33 -0.31 0.37 -2.67 -2.79 0.00 0.00 177.10 172.03 2afq n TRP 96 N 4.63 0.08 0.27 0.43 4.27 -1.26 0.10 117.44 125.97 2afq n TRP 96 Ca -0.11 0.03 0.16 0.00 -3.89 0.00 0.00 57.50 53.69 2afq n TRP 96 Cb 0.43 -0.73 0.59 0.00 -1.36 0.00 0.00 31.31 30.25 2afq n TRP 96 CO 0.00 0.00 0.00 -0.09 -2.29 0.00 0.00 177.69 175.31 2afq h ARG 97 N 0.00 0.00 0.00 -2.67 1.12 -2.00 -3.42 114.38 107.41 2afq h ARG 97 Ca -0.21 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.66 2afq h ARG 97 Cb 1.49 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.45 2afq h ARG 97 CO 0.01 0.01 -0.09 -1.91 -3.11 0.00 0.00 179.97 174.88 2afq n GLU 97 N -3.11 0.05 -0.11 0.20 2.13 -1.26 -5.02 120.64 113.52 2afq n GLU 97 Ca 0.01 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.85 2afq n GLU 97 Cb 0.35 -0.36 0.00 0.00 0.27 0.00 0.00 31.44 31.70 2afq n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2afq n ASN 98 N -2.98 0.00 -1.96 4.31 6.94 -1.25 -4.90 115.26 115.41 2afq n ASN 98 Ca -0.01 -1.21 -0.16 0.00 -0.02 0.00 0.00 54.58 53.18 2afq n ASN 98 Cb 0.05 -0.04 0.01 0.00 -2.36 0.00 0.00 39.78 37.43 2afq n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2afq n LEU 99 N 0.00 -1.96 -4.76 -4.53 4.77 0.12 -4.95 117.00 105.68 2afq n LEU 99 Ca 0.00 -0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.48 2afq n LEU 99 Cb 0.54 -2.33 -0.02 0.00 -2.33 0.00 0.00 43.42 39.28 2afq n LEU 99 CO 0.00 -0.04 1.03 -0.62 -1.33 0.00 0.00 177.39 176.43 2afq s ASP 100 N -2.47 6.70 -1.31 -1.43 2.15 -1.15 -2.72 116.67 116.43 2afq s ASP 100 Ca 0.08 2.71 -0.03 0.00 0.43 0.00 0.00 52.55 55.74 2afq s ASP 100 Cb -0.04 -2.64 0.01 0.00 -0.30 0.00 0.00 42.92 39.95 2afq s ASP 100 CO 0.10 -0.61 0.92 0.54 -0.17 0.00 0.00 175.17 175.95 2afq n ARG 101 N 1.20 -6.11 -2.53 4.34 1.74 -1.26 -1.71 116.66 112.32 2afq n ARG 101 Ca 0.02 0.73 -0.41 0.00 -0.77 0.00 0.00 57.85 57.42 2afq n ARG 101 Cb 0.41 -5.58 -0.01 0.00 -1.02 0.00 0.00 32.46 26.26 2afq n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2afq s ASP 102 N -4.04 6.61 -0.07 0.55 2.15 -1.10 -4.31 116.67 116.46 2afq s ASP 102 Ca 0.19 -2.13 -0.18 0.00 0.43 0.00 0.00 52.55 50.86 2afq s ASP 102 Cb -0.09 -2.58 0.04 0.00 -0.30 0.00 0.00 42.92 39.99 2afq s ASP 102 CO 0.77 -1.40 0.43 -0.51 -0.17 0.00 0.00 175.17 174.29 2afq s ILE 103 N 4.94 0.03 0.03 4.11 2.07 -1.26 -3.94 121.20 127.17 2afq s ILE 103 Ca 0.53 -0.23 -0.17 0.00 -1.41 0.00 0.00 60.65 59.38 2afq s ILE 103 Cb 0.03 -0.70 0.03 0.00 0.13 0.00 0.00 42.46 41.95 2afq s ILE 103 CO 0.04 -0.12 0.37 0.00 -1.91 0.00 0.00 174.94 173.32 2afq s ALA 104 N -0.79 -0.91 0.11 1.50 0.00 -0.66 -2.88 121.76 118.14 2afq s ALA 104 Ca -0.09 0.27 0.10 0.00 0.00 0.00 0.00 51.96 52.24 2afq s ALA 104 Cb -0.04 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 2afq s ALA 104 CO 0.04 -0.41 -0.22 -0.51 0.00 0.00 0.00 175.76 174.67 2afq s LEU 105 N -1.87 2.51 -0.06 0.00 1.43 -0.08 -1.82 118.68 118.79 2afq s LEU 105 Ca -0.07 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 2afq s LEU 105 Cb -0.02 -1.39 0.02 0.00 0.03 0.00 0.00 46.19 44.83 2afq s LEU 105 CO -0.01 0.19 -0.04 -0.04 0.23 0.00 0.00 176.35 176.67 2afq s MET 106 N -2.02 0.93 -0.22 1.70 -1.94 -0.26 -0.62 119.30 116.88 2afq s MET 106 Ca 0.16 -0.10 -0.11 0.00 -1.71 0.00 0.00 55.69 53.92 2afq s MET 106 Cb -0.10 -1.00 -0.05 0.00 2.01 0.00 0.00 34.83 35.69 2afq s MET 106 CO 0.08 -0.14 0.20 0.21 -0.01 0.00 0.00 175.02 175.35 2afq s LYS 107 N 1.21 4.13 0.54 2.03 2.20 -0.19 -1.42 119.74 128.25 2afq s LYS 107 Ca -0.06 -0.16 -0.18 0.00 -0.36 0.00 0.00 55.97 55.21 2afq s LYS 107 Cb -0.14 -3.50 -0.06 0.00 -1.51 0.00 0.00 37.83 32.63 2afq s LYS 107 CO -0.02 0.13 1.04 -0.51 -0.36 0.00 0.00 175.35 175.64 2afq s LEU 108 N 0.85 3.64 0.28 5.43 1.43 -0.32 0.63 118.68 130.63 2afq s LEU 108 Ca 0.10 1.83 0.02 0.00 -1.03 0.00 0.00 54.13 55.05 2afq s LEU 108 Cb -0.13 -4.54 0.41 0.00 0.03 0.00 0.00 46.19 41.96 2afq s LEU 108 CO 0.03 -0.96 1.74 0.11 0.23 0.00 0.00 176.35 177.50 2afq h LYS 109 N 0.91 0.53 -4.22 1.70 1.57 -1.31 -3.39 116.57 112.36 2afq h LYS 109 Ca -0.48 -0.18 -0.21 0.00 -1.87 0.00 0.00 60.65 57.91 2afq h LYS 109 Cb 1.22 -0.04 -0.21 0.00 0.08 0.00 0.00 32.23 33.28 2afq h LYS 109 CO 0.58 0.70 -0.71 0.15 -0.57 0.00 0.00 179.45 179.60 2afq s LYS 110 N -4.61 0.41 0.41 3.15 1.02 -1.26 -4.97 119.74 113.89 2afq s LYS 110 Ca -0.07 -0.69 -0.26 0.00 0.02 0.00 0.00 55.97 54.96 2afq s LYS 110 Cb 0.14 -0.04 -0.09 0.00 -0.52 0.00 0.00 37.83 37.32 2afq s LYS 110 CO 0.79 -0.01 1.34 -1.25 -0.92 0.00 0.00 175.35 175.29 2afq s PRO 111 N -1.61 3.95 0.10 -1.68 0.04 -1.26 -4.88 135.00 129.66 2afq s PRO 111 Ca -0.13 2.23 -0.14 0.00 0.04 0.00 0.00 61.00 63.01 2afq s PRO 111 Cb -0.09 -2.77 -0.06 0.00 0.04 0.00 0.00 34.50 31.61 2afq s PRO 111 CO -0.01 -0.54 0.50 0.54 0.04 0.00 0.00 177.00 177.53 2afq s VAL 112 N -1.24 4.92 -0.10 -0.36 0.11 -0.20 -5.02 120.40 118.51 2afq s VAL 112 Ca 0.57 0.79 -0.26 0.00 -2.93 0.00 0.00 61.98 60.15 2afq s VAL 112 Cb -0.40 -3.73 -0.02 0.00 -1.53 0.00 0.00 36.38 30.70 2afq s VAL 112 CO 0.51 0.34 0.85 0.00 -3.33 0.00 0.00 175.10 173.47 2afq s ALA 113 N -1.35 3.39 0.62 1.54 0.00 -1.26 -4.81 121.76 119.89 2afq s ALA 113 Ca 0.34 0.20 -0.15 0.00 0.00 0.00 0.00 51.96 52.34 2afq s ALA 113 Cb -0.16 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 2afq s ALA 113 CO 0.18 -0.43 1.07 -0.06 0.00 0.00 0.00 175.76 176.52 2afq s PHE 114 N 1.58 2.92 0.00 0.00 0.08 -1.26 -4.86 117.98 116.44 2afq s PHE 114 Ca 0.42 1.51 0.00 0.00 0.12 0.00 0.00 56.93 58.98 2afq s PHE 114 Cb -0.18 -3.03 0.00 0.00 -0.57 0.00 0.00 43.02 39.24 2afq s PHE 114 CO 0.17 -1.25 0.00 -1.13 -0.10 0.00 0.00 175.22 172.92 2afq n SER 115 N -2.21 0.00 0.26 1.36 3.41 -0.18 -4.93 113.62 111.34 2afq n SER 115 Ca 0.09 -0.70 0.17 0.00 -0.26 0.00 0.00 58.87 58.17 2afq n SER 115 Cb 0.53 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 65.21 2afq n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2afq h ASP 116 N 0.00 0.00 -0.01 4.04 3.32 -2.01 -3.04 116.42 118.73 2afq h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2afq h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2afq h ASP 116 CO 0.00 0.00 -0.32 -1.22 -1.72 0.00 0.00 179.24 175.98 2afq n TYR 117 N -2.93 0.00 -3.75 4.55 4.01 -1.26 -4.75 117.16 113.03 2afq n TYR 117 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.47 2afq n TYR 117 Cb 0.25 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.12 2afq n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2afq s ILE 118 N -1.66 0.57 -0.19 -0.72 1.01 -1.15 -4.29 121.20 114.77 2afq s ILE 118 Ca 0.08 -0.56 -0.17 0.00 0.00 0.00 0.00 60.65 60.01 2afq s ILE 118 Cb 0.09 -1.05 0.05 0.00 0.01 0.00 0.00 42.46 41.57 2afq s ILE 118 CO 0.34 -0.18 0.51 -2.28 0.00 0.00 0.00 174.94 173.33 2afq s HIS 119 N 1.84 -0.59 0.59 3.97 2.46 -0.90 -1.01 115.29 121.65 2afq s HIS 119 Ca -0.01 1.40 -0.17 0.00 0.47 0.00 0.00 55.06 56.75 2afq s HIS 119 Cb -0.17 0.22 -0.04 0.00 -0.13 0.00 0.00 32.58 32.46 2afq s HIS 119 CO -0.08 -0.29 1.10 -1.25 -2.47 0.00 0.00 174.74 171.75 2afq s PRO 120 N 0.44 3.20 0.25 2.88 0.04 -1.26 -2.61 135.00 137.94 2afq s PRO 120 Ca -0.01 1.42 0.04 0.00 0.04 0.00 0.00 61.00 62.49 2afq s PRO 120 Cb -0.04 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 2afq s PRO 120 CO -0.02 -0.93 0.38 0.54 0.04 0.00 0.00 177.00 177.01 2afq s VAL 121 N -2.14 5.24 0.30 -0.36 0.11 -0.44 -4.91 120.40 118.21 2afq s VAL 121 Ca 0.68 -0.89 -0.05 0.00 -2.93 0.00 0.00 61.98 58.79 2afq s VAL 121 Cb -0.20 -3.85 -0.05 0.00 -1.53 0.00 0.00 36.38 30.75 2afq s VAL 121 CO 0.33 -0.34 0.57 0.00 -3.33 0.00 0.00 175.10 172.33 2afq s LEU 123 N -3.61 4.18 0.65 0.00 1.43 -1.26 -0.57 118.68 119.51 2afq s LEU 123 Ca 0.44 0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 53.72 2afq s LEU 123 Cb -0.11 -2.03 -0.00 0.00 0.03 0.00 0.00 46.19 44.09 2afq s LEU 123 CO 0.30 0.34 1.16 -2.16 0.23 0.00 0.00 176.35 176.23 2afq s PRO 124 N -0.63 2.69 0.55 1.29 0.04 -1.26 -4.93 135.00 132.75 2afq s PRO 124 Ca 0.12 1.63 0.05 0.00 0.04 0.00 0.00 61.00 62.85 2afq s PRO 124 Cb -0.12 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.55 2afq s PRO 124 CO 0.02 -1.38 0.42 0.16 0.04 0.00 0.00 177.00 176.27 2afq s ASP 125 N -2.09 4.63 0.16 6.66 1.47 -1.26 -4.88 116.67 121.35 2afq s ASP 125 Ca 0.72 -1.26 -0.16 0.00 1.18 0.00 0.00 52.55 53.03 2afq s ASP 125 Cb -0.26 0.48 0.07 0.00 -0.34 0.00 0.00 42.92 42.87 2afq s ASP 125 CO 0.39 -1.15 1.75 -0.09 0.68 0.00 0.00 175.17 176.75 2afq h ARG 126 N 0.70 0.25 -0.14 2.11 2.43 -1.98 -2.90 114.38 114.85 2afq h ARG 126 Ca -0.36 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 58.83 2afq h ARG 126 Cb 1.31 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.76 2afq h ARG 126 CO 0.56 0.17 -0.11 1.49 -1.51 0.00 0.00 179.97 180.57 2afq h GLU 127 N 0.26 -0.12 0.00 0.20 4.81 -2.04 -0.66 114.58 117.03 2afq h GLU 127 Ca 0.17 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2afq h GLU 127 Cb 0.16 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2afq h GLU 127 CO -0.18 -0.08 0.00 2.41 -0.73 0.00 0.00 179.01 180.43 2afq n THR 128 N -5.26 0.00 0.00 0.32 -1.04 -1.09 -1.28 114.28 105.93 2afq n THR 128 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2afq n THR 128 Cb 0.18 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 2afq n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2afq n ALA 129 N 0.34 0.00 0.12 2.41 0.00 -0.25 -0.92 120.51 122.21 2afq n ALA 129 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2afq n ALA 129 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 2afq n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2afq h SER 129 N 0.00 0.86 0.47 0.00 4.64 -1.42 -3.40 113.55 114.69 2afq h SER 129 Ca 0.00 -0.86 -0.24 0.00 -0.47 0.00 0.00 61.79 60.22 2afq h SER 129 Cb 0.00 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 61.77 2afq h SER 129 CO 0.00 1.66 -1.72 0.18 -0.87 0.00 0.00 176.83 176.08 2afq n LEU 129 N -3.75 0.68 -4.35 5.97 4.77 -0.09 -4.69 117.00 115.54 2afq n LEU 129 Ca -0.15 0.31 -0.43 0.00 -0.03 0.00 0.00 56.01 55.71 2afq n LEU 129 Cb 1.05 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 42.33 2afq n LEU 129 CO 0.60 0.29 1.94 -0.11 -1.33 0.00 0.00 177.39 178.78 2afq n LEU 130 N -2.90 5.46 -4.09 2.23 7.94 -1.26 -4.83 117.00 119.55 2afq n LEU 130 Ca -0.16 -4.15 -0.14 0.00 -1.11 0.00 0.00 56.01 50.44 2afq n LEU 130 Cb 0.97 -1.68 -0.11 0.00 0.53 0.00 0.00 43.42 43.12 2afq n LEU 130 CO 0.44 0.55 -0.41 -1.10 -1.11 0.00 0.00 177.39 175.76 2afq s GLN 131 N 3.06 0.61 0.34 1.96 -0.21 -1.26 -4.94 119.66 119.22 2afq s GLN 131 Ca 0.49 -0.85 -0.29 0.00 0.02 0.00 0.00 55.36 54.73 2afq s GLN 131 Cb 0.04 -0.40 -0.11 0.00 1.00 0.00 0.00 33.01 33.54 2afq s GLN 131 CO 0.03 0.07 1.54 0.00 -2.12 0.00 0.00 175.29 174.81 2afq n ALA 132 N 1.30 2.47 0.00 6.09 0.00 -1.26 -2.19 120.51 126.92 2afq n ALA 132 Ca -0.22 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2afq n ALA 132 Cb 0.55 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.56 2afq n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2afq n GLY 133 N 1.20 2.87 3.74 0.00 0.00 -0.01 -4.94 105.19 108.05 2afq n GLY 133 Ca 0.04 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 2afq n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2afq s TYR 134 N -2.09 3.24 -0.01 1.61 1.51 -0.93 -4.58 117.35 116.10 2afq s TYR 134 Ca 0.00 1.27 -0.10 0.00 -1.01 0.00 0.00 57.07 57.23 2afq s TYR 134 Cb 0.00 -3.60 -0.05 0.00 -0.11 0.00 0.00 41.96 38.20 2afq s TYR 134 CO 0.00 -1.82 0.31 0.15 -1.11 0.00 0.00 175.55 173.08 2afq s LYS 135 N -0.45 3.69 0.45 -0.62 1.02 -1.26 -0.75 119.74 121.82 2afq s LYS 135 Ca 0.55 0.12 0.04 0.00 0.02 0.00 0.00 55.97 56.69 2afq s LYS 135 Cb -0.37 -3.13 -0.05 0.00 -0.52 0.00 0.00 37.83 33.76 2afq s LYS 135 CO 0.41 0.67 0.02 0.20 -0.92 0.00 0.00 175.35 175.73 2afq s GLY 136 N -1.37 2.73 -0.04 -3.33 0.00 0.15 -4.87 107.32 100.58 2afq s GLY 136 Ca 0.25 -1.36 0.05 0.00 0.00 0.00 0.00 44.72 43.66 2afq s GLY 136 CO 0.13 -2.12 -0.19 -1.60 0.00 0.00 0.00 173.10 169.33 2afq s ARG 137 N -3.80 1.89 -0.02 2.90 3.52 0.78 -0.15 118.95 124.06 2afq s ARG 137 Ca 0.21 -0.67 0.08 0.00 -0.13 0.00 0.00 55.73 55.22 2afq s ARG 137 Cb 0.06 -1.65 -0.02 0.00 -1.56 0.00 0.00 34.95 31.77 2afq s ARG 137 CO 0.11 0.29 -0.25 0.08 -0.81 0.00 0.00 175.30 174.72 2afq s VAL 138 N -0.07 2.00 0.00 7.11 1.01 -0.41 -0.95 120.40 129.10 2afq s VAL 138 Ca -0.02 -1.08 0.07 0.00 0.00 0.00 0.00 61.98 60.94 2afq s VAL 138 Cb -0.11 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 2afq s VAL 138 CO 0.02 0.57 -0.21 0.42 0.00 0.00 0.00 175.10 175.89 2afq s THR 139 N -0.58 1.68 0.00 3.92 -4.23 -1.26 -1.89 115.64 113.28 2afq s THR 139 Ca 0.09 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 2afq s THR 139 Cb -0.10 -1.41 0.00 0.00 1.34 0.00 0.00 72.50 72.33 2afq s THR 139 CO -0.01 0.39 0.00 0.61 -0.54 0.00 0.00 174.62 175.07 2afq n GLY 140 N 2.34 0.98 3.75 3.99 0.00 -0.71 -4.75 105.19 110.79 2afq n GLY 140 Ca -0.16 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 2afq n GLY 140 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2afq s TRP 141 N -3.02 3.26 0.40 1.61 0.52 -1.26 0.99 118.94 121.44 2afq s TRP 141 Ca 0.00 0.23 -0.27 0.00 0.02 0.00 0.00 56.10 56.08 2afq s TRP 141 Cb 0.00 -1.78 -0.10 0.00 -1.15 0.00 0.00 33.47 30.44 2afq s TRP 141 CO 0.00 0.54 1.48 0.41 0.02 0.00 0.00 176.95 179.40 2afq n GLY 142 N 1.64 1.15 0.00 0.98 0.00 -1.26 -1.41 105.19 106.30 2afq n GLY 142 Ca -0.16 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2afq n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2afq n ASN 143 N 0.26 0.00 0.00 1.61 5.15 -0.51 -4.80 115.26 116.97 2afq n ASN 143 Ca 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 2afq n ASN 143 Cb 0.40 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.65 2afq n ASN 143 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2afq n SER 153 N 0.00 0.00 -4.81 1.20 2.88 -1.26 -4.23 113.62 107.40 2afq n SER 153 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 2afq n SER 153 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 2afq n SER 153 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2afq s VAL 154 N 0.00 3.62 0.18 2.46 -7.23 -1.26 -2.03 120.40 116.15 2afq s VAL 154 Ca 0.00 -1.47 -0.33 0.00 -1.81 0.00 0.00 61.98 58.37 2afq s VAL 154 Cb 0.00 -3.17 -0.15 0.00 0.56 0.00 0.00 36.38 33.62 2afq s VAL 154 CO 0.00 -0.23 1.27 -0.11 -0.31 0.00 0.00 175.10 175.72 2afq n LEU 155 N -1.26 2.06 -4.86 1.32 7.94 -0.54 -4.60 117.00 117.05 2afq n LEU 155 Ca -0.04 1.14 -0.24 0.00 -1.11 0.00 0.00 56.01 55.76 2afq n LEU 155 Cb 0.60 -1.28 -0.04 0.00 0.53 0.00 0.00 43.42 43.22 2afq n LEU 155 CO 0.43 -1.00 -0.15 -1.10 -1.11 0.00 0.00 177.39 174.46 2afq s GLN 156 N -0.24 3.11 0.02 1.96 -1.52 0.28 -1.51 119.66 121.75 2afq s GLN 156 Ca 0.73 -0.84 0.00 0.00 -1.95 0.00 0.00 55.36 53.30 2afq s GLN 156 Cb -0.80 -2.73 -0.01 0.00 -0.22 0.00 0.00 33.01 29.25 2afq s GLN 156 CO 0.50 0.46 -0.02 0.54 -0.25 0.00 0.00 175.29 176.52 2afq s VAL 157 N -1.88 0.11 -0.06 1.09 0.11 -0.23 -1.73 120.40 117.80 2afq s VAL 157 Ca 0.33 -0.66 -0.07 0.00 -2.93 0.00 0.00 61.98 58.65 2afq s VAL 157 Cb -0.10 -0.21 0.02 0.00 -1.53 0.00 0.00 36.38 34.56 2afq s VAL 157 CO 0.26 -0.35 0.19 0.68 -3.33 0.00 0.00 175.10 172.55 2afq s VAL 158 N -1.03 0.02 -0.17 2.04 -7.23 -0.79 -1.78 120.40 111.46 2afq s VAL 158 Ca -0.11 -0.16 -0.05 0.00 -1.81 0.00 0.00 61.98 59.85 2afq s VAL 158 Cb -0.07 -0.32 -0.03 0.00 0.56 0.00 0.00 36.38 36.51 2afq s VAL 158 CO -0.01 -0.09 -0.01 0.20 -0.31 0.00 0.00 175.10 174.89 2afq s ASN 159 N -0.25 5.02 0.02 4.85 0.01 -1.26 -1.28 114.94 122.04 2afq s ASN 159 Ca -0.04 -0.08 0.04 0.00 -0.71 0.00 0.00 52.86 52.08 2afq s ASN 159 Cb -0.03 -1.83 -0.02 0.00 0.41 0.00 0.00 41.25 39.78 2afq s ASN 159 CO 0.01 0.16 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.88 2afq s LEU 160 N 0.40 2.12 0.10 0.60 1.43 0.78 -4.92 118.68 119.20 2afq s LEU 160 Ca -0.02 -0.35 -0.23 0.00 -1.03 0.00 0.00 54.13 52.50 2afq s LEU 160 Cb -0.14 -0.52 -0.07 0.00 0.03 0.00 0.00 46.19 45.50 2afq s LEU 160 CO 0.02 0.05 0.71 -2.16 0.23 0.00 0.00 176.35 175.19 2afq s PRO 161 N -0.80 4.44 0.36 1.29 0.04 -1.26 0.29 135.00 139.36 2afq s PRO 161 Ca 0.01 1.00 -0.27 0.00 0.04 0.00 0.00 61.00 61.78 2afq s PRO 161 Cb -0.06 -3.28 -0.09 0.00 0.04 0.00 0.00 34.50 31.10 2afq s PRO 161 CO 0.00 0.51 1.21 0.42 0.04 0.00 0.00 177.00 179.19 2afq s ILE 162 N -0.83 3.01 -0.01 0.56 1.01 0.07 -1.52 121.20 123.49 2afq s ILE 162 Ca 0.34 0.94 -0.01 0.00 0.00 0.00 0.00 60.65 61.92 2afq s ILE 162 Cb -0.21 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 2afq s ILE 162 CO 0.23 0.16 0.10 -0.69 0.00 0.00 0.00 174.94 174.74 2afq s VAL 163 N -1.27 4.86 0.31 2.92 1.01 0.10 -0.83 120.40 127.51 2afq s VAL 163 Ca 0.52 -0.35 -0.28 0.00 0.00 0.00 0.00 61.98 61.87 2afq s VAL 163 Cb -0.35 -3.23 -0.13 0.00 0.00 0.00 0.00 36.38 32.68 2afq s VAL 163 CO 0.45 0.36 1.23 -0.62 0.00 0.00 0.00 175.10 176.51 2afq n GLU 164 N 1.18 1.90 -0.31 2.72 1.02 -1.26 -4.64 120.64 121.24 2afq n GLU 164 Ca -0.13 0.67 -0.01 0.00 -0.02 0.00 0.00 57.16 57.67 2afq n GLU 164 Cb 0.53 -2.20 0.12 0.00 -0.02 0.00 0.00 31.44 29.87 2afq n GLU 164 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2afq h ARG 165 N 2.59 0.97 -0.44 3.49 2.43 -1.97 -1.02 114.38 120.43 2afq h ARG 165 Ca -0.44 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 58.64 2afq h ARG 165 Cb 1.30 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 2afq h ARG 165 CO 0.64 0.64 0.15 -1.35 -1.51 0.00 0.00 179.97 178.54 2afq h PRO 166 N 1.00 0.63 -0.29 0.20 0.11 -2.00 -1.17 132.00 130.48 2afq h PRO 166 Ca 0.35 -0.09 -0.18 0.00 0.11 0.00 0.00 66.00 66.20 2afq h PRO 166 Cb 0.09 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.09 2afq h PRO 166 CO -0.15 0.54 -0.51 0.28 -0.21 0.00 0.00 178.00 177.95 2afq h VAL 167 N 0.62 1.28 -0.21 3.15 2.07 -1.77 -2.68 116.25 118.71 2afq h VAL 167 Ca 0.15 -1.69 0.01 0.00 0.82 0.00 0.00 66.70 65.99 2afq h VAL 167 Cb 0.16 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2afq h VAL 167 CO -0.01 0.55 0.12 0.00 0.02 0.00 0.00 177.57 178.25 2afq h LYS 169 N 0.25 0.89 0.00 0.00 1.57 -1.20 -2.10 116.57 115.99 2afq h LYS 169 Ca 0.08 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2afq h LYS 169 Cb -0.00 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.11 2afq h LYS 169 CO -0.04 0.59 0.00 -0.25 -0.57 0.00 0.00 179.45 179.18 2afq n ASP 170 N -4.45 0.58 -0.77 0.86 8.00 -1.01 -3.59 116.55 116.17 2afq n ASP 170 Ca 0.09 0.56 0.09 0.00 0.71 0.00 0.00 54.79 56.25 2afq n ASP 170 Cb 0.10 -0.72 0.27 0.00 -0.02 0.00 0.00 41.12 40.76 2afq n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2afq n SER 171 N -2.05 2.26 -3.71 -2.24 7.64 -0.79 -4.92 113.62 109.81 2afq n SER 171 Ca 0.06 -1.88 -0.11 0.00 1.01 0.00 0.00 58.87 57.94 2afq n SER 171 Cb 0.39 -0.21 -0.06 0.00 -1.01 0.00 0.00 64.21 63.31 2afq n SER 171 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2afq s THR 172 N -1.57 0.08 -0.80 0.44 -1.32 -1.24 -4.66 115.64 106.57 2afq s THR 172 Ca 0.32 -0.67 0.25 0.00 -1.21 0.00 0.00 61.69 60.38 2afq s THR 172 Cb 0.17 -1.07 0.05 0.00 -1.51 0.00 0.00 72.50 70.15 2afq s THR 172 CO 0.24 -0.37 1.41 -2.11 -2.21 0.00 0.00 174.62 171.58 2afq n ARG 173 N 0.24 0.16 -2.29 7.08 1.85 -1.26 -4.89 116.66 117.54 2afq n ARG 173 Ca -0.17 0.05 -0.39 0.00 -1.00 0.00 0.00 57.85 56.34 2afq n ARG 173 Cb 0.61 -1.60 -0.02 0.00 -1.05 0.00 0.00 32.46 30.39 2afq n ARG 173 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2afq s ILE 174 N -3.09 3.13 -0.37 8.89 -1.09 -1.26 -4.97 121.20 122.44 2afq s ILE 174 Ca 0.09 1.01 -0.29 0.00 -2.23 0.00 0.00 60.65 59.22 2afq s ILE 174 Cb 0.15 -3.59 0.02 0.00 -1.58 0.00 0.00 42.46 37.46 2afq s ILE 174 CO 0.70 0.14 1.19 -0.60 -1.23 0.00 0.00 174.94 175.13 2afq s ARG 175 N -2.10 3.87 -0.16 2.79 3.52 -1.26 -5.00 118.95 120.62 2afq s ARG 175 Ca 0.54 0.95 -0.23 0.00 -0.13 0.00 0.00 55.73 56.86 2afq s ARG 175 Cb -0.32 -3.86 -0.02 0.00 -1.56 0.00 0.00 34.95 29.19 2afq s ARG 175 CO 0.41 -1.17 0.72 0.42 -0.81 0.00 0.00 175.30 174.87 2afq s ILE 176 N 4.27 4.98 0.42 4.11 -1.09 -1.26 -4.91 121.20 127.72 2afq s ILE 176 Ca 0.51 1.41 0.08 0.00 -2.23 0.00 0.00 60.65 60.42 2afq s ILE 176 Cb -0.12 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 2afq s ILE 176 CO 0.24 0.11 0.52 0.42 -1.23 0.00 0.00 174.94 175.00 2afq s THR 177 N 1.73 2.93 -1.22 2.92 -4.23 -1.26 -4.99 115.64 111.53 2afq s THR 177 Ca 0.34 -1.09 0.10 0.00 -1.18 0.00 0.00 61.69 59.87 2afq s THR 177 Cb -0.16 -3.01 0.13 0.00 1.34 0.00 0.00 72.50 70.80 2afq s THR 177 CO 0.13 -0.00 1.27 0.47 -0.54 0.00 0.00 174.62 175.95 2afq n ASP 178 N -1.77 0.00 -1.14 3.99 8.00 -1.26 -1.52 116.55 122.84 2afq n ASP 178 Ca 0.07 0.32 0.06 0.00 0.71 0.00 0.00 54.79 55.95 2afq n ASP 178 Cb 0.60 -0.39 0.24 0.00 -0.02 0.00 0.00 41.12 41.54 2afq n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2afq n ASN 179 N -1.39 3.32 -4.17 -2.24 3.02 -1.26 -4.90 115.26 107.64 2afq n ASN 179 Ca 0.04 -2.29 -0.12 0.00 -0.03 0.00 0.00 54.58 52.18 2afq n ASN 179 Cb 0.10 -0.47 -0.10 0.00 -0.61 0.00 0.00 39.78 38.70 2afq n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2afq s MET 180 N -1.73 0.83 0.23 3.52 -1.94 -0.58 -0.71 119.30 118.92 2afq s MET 180 Ca 0.34 -1.28 -0.11 0.00 -1.71 0.00 0.00 55.69 52.93 2afq s MET 180 Cb 0.22 -0.29 -0.01 0.00 2.01 0.00 0.00 34.83 36.76 2afq s MET 180 CO 0.17 0.01 0.40 -0.59 -0.01 0.00 0.00 175.02 175.00 2afq s PHE 181 N -3.29 0.49 0.03 -0.03 -0.12 -0.66 -4.83 117.98 109.57 2afq s PHE 181 Ca 0.10 -0.83 -0.01 0.00 -0.05 0.00 0.00 56.93 56.14 2afq s PHE 181 Cb 0.03 0.05 -0.02 0.00 -0.63 0.00 0.00 43.02 42.45 2afq s PHE 181 CO -0.03 -0.91 -0.01 0.00 -0.05 0.00 0.00 175.22 174.22 2afq s ALA 183 N -1.96 -0.08 0.00 0.00 0.00 -0.88 -0.72 121.76 118.12 2afq s ALA 183 Ca -0.11 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2afq s ALA 183 Cb -0.06 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.89 2afq s ALA 183 CO -0.03 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.50 2afq n GLY 184 N -0.21 3.90 3.87 0.00 0.00 -0.58 -2.07 105.19 110.10 2afq n GLY 184 Ca -0.08 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 2afq n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2afq s TYR 184 N -2.00 3.44 -0.40 1.61 2.02 -1.26 -4.56 117.35 116.19 2afq s TYR 184 Ca 0.00 1.07 -0.27 0.00 -0.37 0.00 0.00 57.07 57.50 2afq s TYR 184 Cb 0.00 -2.45 -0.04 0.00 -0.40 0.00 0.00 41.96 39.07 2afq s TYR 184 CO 0.00 -0.02 2.06 -1.59 -1.57 0.00 0.00 175.55 174.43 2afq s LYS 185 N -3.55 2.83 0.64 -0.62 0.00 -1.26 -4.80 119.74 112.98 2afq s LYS 185 Ca 0.52 1.40 0.22 0.00 0.00 0.00 0.00 55.97 58.10 2afq s LYS 185 Cb -0.10 -4.38 1.19 0.00 0.00 0.00 0.00 37.83 34.54 2afq s LYS 185 CO 0.27 -2.45 1.66 -1.00 0.00 0.00 0.00 175.35 173.83 2afq h PRO 186 N 15.51 0.00 -0.10 1.78 0.13 -1.90 0.51 132.00 147.93 2afq h PRO 186 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2afq h PRO 186 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2afq h PRO 186 CO 1.08 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.45 2afq n ASP 186 N -2.74 0.90 -2.58 1.44 3.85 -1.26 -4.15 116.55 112.01 2afq n ASP 186 Ca -0.01 -1.61 -0.28 0.00 -0.71 0.00 0.00 54.79 52.18 2afq n ASP 186 Cb 0.52 -0.06 -0.00 0.00 -1.35 0.00 0.00 41.12 40.23 2afq n ASP 186 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 2afq n GLU 186 N -0.18 3.37 0.00 0.11 2.13 0.18 -5.09 120.64 121.16 2afq n GLU 186 Ca 0.14 -4.46 0.00 0.00 0.66 0.00 0.00 57.16 53.51 2afq n GLU 186 Cb 0.20 -2.25 0.00 0.00 0.27 0.00 0.00 31.44 29.66 2afq n GLU 186 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2afq n GLY 186 N -0.46 -0.35 3.56 8.31 0.00 -1.26 -4.76 105.19 110.23 2afq n GLY 186 Ca 0.40 -1.75 -0.28 0.00 0.00 0.00 0.00 46.02 44.39 2afq n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2afq s LYS 186 N -1.88 2.61 0.16 1.61 1.02 -1.26 -4.89 119.74 117.11 2afq s LYS 186 Ca 0.00 -0.42 0.05 0.00 0.02 0.00 0.00 55.97 55.62 2afq s LYS 186 Cb 0.00 -5.10 -0.04 0.00 -0.52 0.00 0.00 37.83 32.18 2afq s LYS 186 CO 0.00 -3.37 0.15 1.03 -0.92 0.00 0.00 175.35 172.23 2afq s ARG 187 N 6.85 2.95 0.77 1.68 1.81 -1.26 -5.06 118.95 126.69 2afq s ARG 187 Ca 0.69 -0.84 -0.13 0.00 -1.72 0.00 0.00 55.73 53.73 2afq s ARG 187 Cb -0.06 -2.68 0.06 0.00 -0.45 0.00 0.00 34.95 31.83 2afq s ARG 187 CO 0.00 0.49 1.15 0.20 -0.68 0.00 0.00 175.30 176.46 2afq s GLY 188 N -3.10 2.00 0.01 -3.53 0.00 -1.24 -4.76 107.32 96.70 2afq s GLY 188 Ca 0.31 0.60 -0.04 0.00 0.00 0.00 0.00 44.72 45.60 2afq s GLY 188 CO 0.24 0.99 0.05 0.99 0.00 0.00 0.00 173.10 175.37 2afq s ASP 189 N -2.60 0.13 0.14 1.64 1.01 -0.53 -4.68 116.67 111.77 2afq s ASP 189 Ca 0.68 -0.34 -0.10 0.00 0.71 0.00 0.00 52.55 53.49 2afq s ASP 189 Cb -0.23 0.15 -0.06 0.00 1.01 0.00 0.00 42.92 43.79 2afq s ASP 189 CO 0.50 -0.32 0.47 0.00 0.21 0.00 0.00 175.17 176.03 2afq s ALA 190 N -1.38 3.66 0.35 5.23 0.00 -1.26 -2.38 121.76 125.98 2afq s ALA 190 Ca -0.15 -0.30 0.08 0.00 0.00 0.00 0.00 51.96 51.59 2afq s ALA 190 Cb -0.09 -2.36 -0.07 0.00 0.00 0.00 0.00 23.12 20.60 2afq s ALA 190 CO 0.00 0.53 -0.07 0.00 0.00 0.00 0.00 175.76 176.23 2afq h GLU 192 N 2.01 0.70 0.00 0.00 4.57 -1.90 0.46 114.58 120.43 2afq h GLU 192 Ca -0.42 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 2afq h GLU 192 Cb 1.25 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 2afq h GLU 192 CO 0.72 0.47 0.00 0.41 -1.18 0.00 0.00 179.01 179.43 2afq n GLY 193 N -1.38 -1.06 0.59 1.92 0.00 -1.26 -1.77 105.19 102.23 2afq n GLY 193 Ca 0.21 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.45 2afq n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2afq n ASP 194 N -2.13 1.77 -4.48 1.61 8.00 0.16 -4.72 116.55 116.76 2afq n ASP 194 Ca 0.01 -1.73 -0.46 0.00 0.71 0.00 0.00 54.79 53.32 2afq n ASP 194 Cb 0.14 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 2afq n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2afq n SER 195 N 0.39 -0.21 0.00 -2.24 7.64 -0.73 -2.08 113.62 116.40 2afq n SER 195 Ca 0.16 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.16 2afq n SER 195 Cb 0.35 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 2afq n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2afq n GLY 196 N 1.67 3.10 3.79 0.23 0.00 -0.22 -0.83 105.19 112.93 2afq n GLY 196 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2afq n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2afq s GLY 197 N -1.74 1.63 0.33 -0.02 0.00 -0.88 -3.37 107.32 103.27 2afq s GLY 197 Ca 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 44.72 44.47 2afq s GLY 197 CO 0.00 0.30 0.72 2.56 0.00 0.00 0.00 173.10 176.68 2afq s PRO 198 N -5.09 3.94 -0.31 2.90 0.04 -1.26 -1.25 135.00 133.97 2afq s PRO 198 Ca 0.61 0.59 -0.01 0.00 0.04 0.00 0.00 61.00 62.23 2afq s PRO 198 Cb -0.15 -2.45 0.06 0.00 0.04 0.00 0.00 34.50 32.01 2afq s PRO 198 CO 0.55 0.14 0.01 0.12 0.04 0.00 0.00 177.00 177.86 2afq s PHE 199 N -2.03 3.34 0.24 0.56 2.19 -0.43 -4.02 117.98 117.83 2afq s PHE 199 Ca 0.53 -2.11 0.09 0.00 0.33 0.00 0.00 56.93 55.77 2afq s PHE 199 Cb -0.10 -2.28 -0.04 0.00 -1.31 0.00 0.00 43.02 39.28 2afq s PHE 199 CO 0.20 -0.85 -0.00 0.14 1.83 0.00 0.00 175.22 176.54 2afq s VAL 200 N 1.19 3.53 0.01 3.12 -7.23 -0.13 -1.15 120.40 119.73 2afq s VAL 200 Ca -0.03 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 2afq s VAL 200 Cb -0.20 -2.85 -0.01 0.00 0.56 0.00 0.00 36.38 33.88 2afq s VAL 200 CO -0.03 -0.30 -0.01 -0.04 -0.31 0.00 0.00 175.10 174.42 2afq s MET 201 N -3.46 0.10 -0.28 4.82 -1.94 -0.51 -0.16 119.30 117.88 2afq s MET 201 Ca 0.30 -0.19 -0.13 0.00 -1.71 0.00 0.00 55.69 53.97 2afq s MET 201 Cb -0.07 0.03 -0.05 0.00 2.01 0.00 0.00 34.83 36.75 2afq s MET 201 CO 0.19 -0.01 0.26 0.21 -0.01 0.00 0.00 175.02 175.66 2afq s LYS 202 N -0.45 3.98 0.14 2.03 2.20 -1.26 -0.75 119.74 125.62 2afq s LYS 202 Ca -0.05 -0.18 -0.31 0.00 -0.36 0.00 0.00 55.97 55.07 2afq s LYS 202 Cb -0.03 -3.66 -0.09 0.00 -1.51 0.00 0.00 37.83 32.55 2afq s LYS 202 CO -0.00 -0.21 1.43 0.45 -0.36 0.00 0.00 175.35 176.66 2afq s SER 203 N 1.70 6.76 0.00 1.43 0.15 0.03 -4.89 113.70 118.88 2afq s SER 203 Ca 0.10 2.42 0.30 0.00 0.70 0.00 0.00 55.95 59.47 2afq s SER 203 Cb -0.16 -2.59 1.50 0.00 -1.71 0.00 0.00 66.02 63.06 2afq s SER 203 CO 0.11 -0.69 2.02 -0.81 1.20 0.00 0.00 173.24 175.06 2afq n PRO 204 N 3.81 0.70 -0.02 5.44 -0.04 -1.26 -0.73 135.00 142.90 2afq n PRO 204 Ca 0.12 -0.12 -0.17 0.00 -0.04 0.00 0.00 63.50 63.29 2afq n PRO 204 Cb 0.41 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.24 2afq n PRO 204 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2afq n PHE 204 N -1.05 1.00 -0.72 0.54 3.72 -1.26 -4.63 117.46 115.07 2afq n PHE 204 Ca 0.17 0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.83 2afq n PHE 204 Cb 0.23 -1.15 0.00 0.00 -0.94 0.00 0.00 39.48 37.62 2afq n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2afq n ASN 204 N -3.29 0.52 -2.47 4.37 0.23 -1.24 -5.03 115.26 108.35 2afq n ASN 204 Ca -0.29 -1.24 -0.15 0.00 -0.53 0.00 0.00 54.58 52.37 2afq n ASN 204 Cb 1.05 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.74 2afq n ASN 204 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2afq n ASN 205 N -0.12 -4.48 -4.81 0.53 3.02 0.09 -4.98 115.26 104.50 2afq n ASN 205 Ca 0.00 0.11 -0.27 0.00 -0.03 0.00 0.00 54.58 54.39 2afq n ASN 205 Cb 0.39 -3.77 -0.05 0.00 -0.61 0.00 0.00 39.78 35.74 2afq n ASN 205 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2afq s ARG 206 N -5.07 2.97 -0.10 3.52 0.52 -1.25 -4.82 118.95 114.71 2afq s ARG 206 Ca 0.02 -0.79 -0.16 0.00 -0.52 0.00 0.00 55.73 54.28 2afq s ARG 206 Cb -0.01 -2.71 -0.05 0.00 0.52 0.00 0.00 34.95 32.70 2afq s ARG 206 CO 0.02 0.51 0.40 -1.58 0.02 0.00 0.00 175.30 174.67 2afq s TRP 207 N -1.66 3.55 -0.03 -0.53 0.52 -1.26 -0.79 118.94 118.74 2afq s TRP 207 Ca 0.31 0.82 0.07 0.00 0.02 0.00 0.00 56.10 57.33 2afq s TRP 207 Cb -0.11 -2.41 -0.02 0.00 -1.15 0.00 0.00 33.47 29.78 2afq s TRP 207 CO 0.24 0.31 -0.25 0.71 0.02 0.00 0.00 176.95 177.98 2afq s TYR 208 N 0.13 2.32 -0.48 -1.98 2.02 0.07 -2.27 117.35 117.15 2afq s TYR 208 Ca 0.22 -0.50 -0.23 0.00 -0.37 0.00 0.00 57.07 56.20 2afq s TYR 208 Cb -0.15 -1.50 0.03 0.00 -0.40 0.00 0.00 41.96 39.95 2afq s TYR 208 CO 0.09 -0.08 0.79 -1.14 -1.57 0.00 0.00 175.55 173.64 2afq s GLN 209 N -0.50 3.33 0.05 -0.62 0.74 0.27 -1.42 119.66 121.51 2afq s GLN 209 Ca 0.07 -0.28 0.17 0.00 0.05 0.00 0.00 55.36 55.36 2afq s GLN 209 Cb -0.11 -3.99 -0.14 0.00 1.10 0.00 0.00 33.01 29.87 2afq s GLN 209 CO 0.00 -1.22 0.80 -1.33 -0.55 0.00 0.00 175.29 172.99 2afq n MET 210 N 6.80 0.62 -4.08 1.67 2.81 -0.30 -4.35 117.12 120.29 2afq n MET 210 Ca 0.01 0.22 -0.11 0.00 -1.81 0.00 0.00 57.70 56.01 2afq n MET 210 Cb 0.48 -1.80 -0.06 0.00 -0.71 0.00 0.00 33.22 31.12 2afq n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2afq s GLY 211 N -4.82 1.02 -0.07 3.03 0.00 -0.94 -1.90 107.32 103.64 2afq s GLY 211 Ca -0.03 -1.26 0.02 0.00 0.00 0.00 0.00 44.72 43.45 2afq s GLY 211 CO 0.81 -0.93 -0.12 -0.42 0.00 0.00 0.00 173.10 172.44 2afq s ILE 212 N -3.84 1.13 -0.03 0.90 1.01 -1.04 -1.32 121.20 118.02 2afq s ILE 212 Ca 0.29 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 60.18 2afq s ILE 212 Cb 0.02 -1.05 -0.08 0.00 0.01 0.00 0.00 42.46 41.36 2afq s ILE 212 CO 0.13 0.36 2.00 -0.69 0.00 0.00 0.00 174.94 176.73 2afq s VAL 213 N 0.78 3.07 -0.26 2.92 1.01 -0.38 -1.10 120.40 126.43 2afq s VAL 213 Ca -0.12 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.83 2afq s VAL 213 Cb -0.15 -3.06 -0.15 0.00 0.00 0.00 0.00 36.38 33.02 2afq s VAL 213 CO 0.02 -0.02 -0.22 -0.24 0.00 0.00 0.00 175.10 174.65 2afq n SER 214 N 8.43 1.96 -3.51 3.32 2.88 -0.13 -1.06 113.62 125.52 2afq n SER 214 Ca 0.22 0.22 -0.13 0.00 -1.33 0.00 0.00 58.87 57.84 2afq n SER 214 Cb 0.42 -0.73 -0.04 0.00 -0.75 0.00 0.00 64.21 63.11 2afq n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2afq s TRP 215 N -2.50 -0.51 -0.05 0.66 -2.14 -1.04 -4.89 118.94 108.46 2afq s TRP 215 Ca -0.36 0.67 0.03 0.00 2.66 0.00 0.00 56.10 59.11 2afq s TRP 215 Cb 0.12 0.48 0.00 0.00 -3.10 0.00 0.00 33.47 30.97 2afq s TRP 215 CO 0.55 -0.59 -0.15 0.20 -2.66 0.00 0.00 176.95 174.29 2afq s GLY 216 N -1.76 0.88 0.00 3.67 0.00 -1.26 -0.34 107.32 108.51 2afq s GLY 216 Ca -0.03 -0.58 0.17 0.00 0.00 0.00 0.00 44.72 44.27 2afq s GLY 216 CO -0.01 -0.16 0.76 1.18 0.00 0.00 0.00 173.10 174.87 2afq n GLU 217 N 3.42 1.44 0.00 2.90 1.02 -0.43 -4.44 120.64 124.56 2afq n GLU 217 Ca -0.20 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 56.76 2afq n GLU 217 Cb 0.53 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 2afq n GLU 217 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2afq n GLY 218 N 1.36 1.77 7.00 0.62 0.00 -1.25 -0.16 105.19 114.53 2afq n GLY 218 Ca 0.04 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.30 2afq n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2afq n ASP 221 N 9.52 2.14 -4.32 0.00 5.68 -1.26 -4.88 116.55 123.42 2afq n ASP 221 Ca 0.00 -2.09 -0.17 0.00 -0.50 0.00 0.00 54.79 52.04 2afq n ASP 221 Cb 0.00 -0.30 -0.10 0.00 -1.14 0.00 0.00 41.12 39.57 2afq n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2afq s ARG 221 N -1.59 1.35 -0.01 0.11 1.81 -0.95 -5.05 118.95 114.63 2afq s ARG 221 Ca 0.24 -1.71 0.02 0.00 -1.72 0.00 0.00 55.73 52.57 2afq s ARG 221 Cb 0.14 -0.45 0.08 0.00 -0.45 0.00 0.00 34.95 34.27 2afq s ARG 221 CO 0.14 -0.19 0.93 -0.25 -0.68 0.00 0.00 175.30 175.25 2afq n ASP 222 N -0.43 0.80 -2.77 0.23 8.00 -1.26 -4.49 116.55 116.64 2afq n ASP 222 Ca -0.03 -2.03 -0.11 0.00 0.71 0.00 0.00 54.79 53.33 2afq n ASP 222 Cb 0.65 -0.21 0.08 0.00 -0.02 0.00 0.00 41.12 41.62 2afq n ASP 222 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2afq n GLY 223 N 0.45 -1.81 0.42 0.44 0.00 0.77 -4.97 105.19 100.49 2afq n GLY 223 Ca 0.03 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 2afq n GLY 223 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2afq n LYS 224 N -2.31 0.36 -4.66 1.61 5.02 -1.26 -4.20 118.16 112.72 2afq n LYS 224 Ca 0.06 0.15 -0.31 0.00 -2.02 0.00 0.00 58.31 56.19 2afq n LYS 224 Cb 0.21 -1.12 -0.09 0.00 -0.02 0.00 0.00 35.03 34.01 2afq n LYS 224 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2afq s TYR 225 N -2.53 2.16 0.01 2.13 1.51 -1.26 -4.49 117.35 114.87 2afq s TYR 225 Ca -0.21 -0.82 -0.01 0.00 -1.01 0.00 0.00 57.07 55.02 2afq s TYR 225 Cb 0.05 -1.70 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 2afq s TYR 225 CO 0.29 0.31 0.11 0.20 -1.11 0.00 0.00 175.55 175.35 2afq s GLY 226 N -3.82 2.07 -0.03 0.71 0.00 -0.88 -1.31 107.32 104.05 2afq s GLY 226 Ca 0.20 -0.86 0.06 0.00 0.00 0.00 0.00 44.72 44.13 2afq s GLY 226 CO 0.10 -0.75 -0.22 -1.36 0.00 0.00 0.00 173.10 170.87 2afq s PHE 227 N -1.27 2.45 0.08 1.90 0.40 0.54 -2.08 117.98 120.01 2afq s PHE 227 Ca 0.25 -0.39 0.08 0.00 -0.60 0.00 0.00 56.93 56.27 2afq s PHE 227 Cb -0.12 -1.55 -0.03 0.00 0.51 0.00 0.00 43.02 41.82 2afq s PHE 227 CO 0.17 0.00 -0.20 0.71 0.70 0.00 0.00 175.22 176.60 2afq s TYR 228 N -0.58 1.71 0.03 0.36 1.51 0.37 -0.95 117.35 119.79 2afq s TYR 228 Ca 0.09 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.44 2afq s TYR 228 Cb -0.11 -0.96 -0.05 0.00 -0.11 0.00 0.00 41.96 40.74 2afq s TYR 228 CO -0.00 0.16 1.16 0.99 -1.11 0.00 0.00 175.55 176.74 2afq s THR 229 N -1.07 4.24 -0.83 -0.71 2.01 -0.26 -1.65 115.64 117.36 2afq s THR 229 Ca 0.06 1.60 -0.26 0.00 0.31 0.00 0.00 61.69 63.40 2afq s THR 229 Cb -0.10 -4.02 0.03 0.00 0.01 0.00 0.00 72.50 68.42 2afq s THR 229 CO 0.03 0.10 1.44 -2.28 -0.69 0.00 0.00 174.62 173.22 2afq s HIS 230 N 1.27 2.26 0.17 4.92 2.46 0.11 -2.49 115.29 123.99 2afq s HIS 230 Ca 0.57 -0.17 -0.14 0.00 0.47 0.00 0.00 55.06 55.79 2afq s HIS 230 Cb -0.27 -4.56 0.13 0.00 -0.13 0.00 0.00 32.58 27.75 2afq s HIS 230 CO 0.28 -2.04 1.76 0.28 -2.47 0.00 0.00 174.74 172.55 2afq h VAL 231 N 6.45 0.88 -0.88 0.89 2.07 -1.69 -2.66 116.25 121.31 2afq h VAL 231 Ca -0.10 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.30 2afq h VAL 231 Cb 1.05 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 2afq h VAL 231 CO 1.32 0.07 0.57 0.15 0.02 0.00 0.00 177.57 179.69 2afq h PHE 232 N 0.36 1.12 0.00 1.57 3.57 -1.87 -1.14 116.94 120.55 2afq h PHE 232 Ca 0.21 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 2afq h PHE 232 Cb 0.19 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 2afq h PHE 232 CO -0.14 0.71 -0.00 0.00 -2.23 0.00 0.00 178.31 176.65 2afq h ARG 233 N 1.20 0.00 -0.23 1.11 2.47 -1.85 -1.98 114.38 115.10 2afq h ARG 233 Ca 0.32 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.04 2afq h ARG 233 Cb -0.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.20 2afq h ARG 233 CO -0.07 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.74 2afq n LEU 234 N -3.51 2.97 0.16 3.04 4.77 -0.51 -4.68 117.00 119.26 2afq n LEU 234 Ca -0.03 -2.36 0.05 0.00 -0.03 0.00 0.00 56.01 53.64 2afq n LEU 234 Cb 0.08 -0.29 0.51 0.00 -2.33 0.00 0.00 43.42 41.38 2afq n LEU 234 CO 0.24 0.67 1.02 0.50 -1.33 0.00 0.00 177.39 178.49 2afq h LYS 235 N 1.45 0.18 -0.70 3.23 3.64 -0.58 -2.48 116.57 121.30 2afq h LYS 235 Ca 0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2afq h LYS 235 Cb 0.90 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 2afq h LYS 235 CO 0.06 0.20 0.41 0.87 -2.27 0.00 0.00 179.45 178.72 2afq h LYS 236 N 0.18 0.96 -0.22 1.90 6.56 -1.83 0.37 116.57 124.48 2afq h LYS 236 Ca 0.04 -0.09 -0.03 0.00 -1.06 0.00 0.00 60.65 59.51 2afq h LYS 236 Cb 0.13 -0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 31.59 2afq h LYS 236 CO 0.00 0.69 0.01 2.35 -2.06 0.00 0.00 179.45 180.45 2afq h TRP 237 N 0.96 0.42 -0.27 -1.35 7.01 -1.82 -0.33 115.95 120.57 2afq h TRP 237 Ca 0.25 -0.07 0.05 0.00 2.11 0.00 0.00 58.89 61.23 2afq h TRP 237 Cb -0.01 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 26.89 2afq h TRP 237 CO -0.01 0.55 -0.03 0.82 -2.79 0.00 0.00 178.44 176.98 2afq h ILE 238 N 0.16 0.76 -0.55 2.65 2.04 -1.19 -0.82 117.51 120.57 2afq h ILE 238 Ca 0.06 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.86 2afq h ILE 238 Cb 0.38 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2afq h ILE 238 CO 0.01 0.01 0.14 -0.61 0.00 0.00 0.00 178.15 177.70 2afq h GLN 239 N 0.04 0.85 -0.15 2.37 5.75 -0.84 -2.14 115.11 120.99 2afq h GLN 239 Ca 0.13 -0.17 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 2afq h GLN 239 Cb 0.19 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 2afq h GLN 239 CO -0.25 0.76 0.08 -0.22 -2.65 0.00 0.00 178.83 176.54 2afq h LYS 240 N 0.82 0.21 -0.02 1.69 3.64 -0.32 -1.87 116.57 120.72 2afq h LYS 240 Ca 0.18 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2afq h LYS 240 Cb 0.29 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2afq h LYS 240 CO -0.00 0.24 0.01 0.28 -2.27 0.00 0.00 179.45 177.71 2afq h VAL 241 N 0.13 1.11 -0.69 2.00 2.07 -0.96 -1.83 116.25 118.07 2afq h VAL 241 Ca 0.05 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 2afq h VAL 241 Cb 0.09 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2afq h VAL 241 CO -0.01 0.08 0.32 0.40 0.02 0.00 0.00 177.57 178.39 2afq h ILE 242 N -0.09 1.23 -0.37 4.57 2.04 -1.39 -0.04 117.51 123.47 2afq h ILE 242 Ca 0.01 -0.68 -0.10 0.00 1.00 0.00 0.00 64.86 65.09 2afq h ILE 242 Cb 0.13 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 2afq h ILE 242 CO -0.00 0.28 -0.20 0.44 0.00 0.00 0.00 178.15 178.67 2afq h ASP 243 N 0.97 0.70 0.54 1.72 3.32 -1.29 0.31 116.42 122.68 2afq h ASP 243 Ca 0.24 -0.23 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 2afq h ASP 243 Cb 0.14 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2afq h ASP 243 CO -0.03 0.89 -1.36 -0.61 -1.72 0.00 0.00 179.24 176.41 2afq h GLN 244 N 0.62 0.29 -0.01 3.56 4.15 -1.11 -3.38 115.11 119.22 2afq h GLN 244 Ca 0.09 -0.50 0.00 0.00 0.77 0.00 0.00 58.65 59.02 2afq h GLN 244 Cb 0.67 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.55 2afq h GLN 244 CO 0.05 1.21 0.00 1.19 -1.93 0.00 0.00 178.83 179.35 2afq n PHE 245 N -3.52 0.00 -1.76 3.99 3.01 -0.05 -5.04 117.46 114.09 2afq n PHE 245 Ca -0.12 -0.01 -0.29 0.00 1.01 0.00 0.00 57.45 58.04 2afq n PHE 245 Cb 1.04 -0.00 0.12 0.00 -0.01 0.00 0.00 39.48 40.63 2afq n PHE 245 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2afq s GLY 246 N -0.64 1.61 0.00 1.37 0.00 0.11 -5.01 107.32 104.75 2afq s GLY 246 Ca 0.09 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.13 2afq s GLY 246 CO 0.10 -0.13 0.00 1.18 0.00 0.00 0.00 173.10 174.25