#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfq s VAL 17 N 0.00 4.67 -1.46 1.39 1.01 0.54 -4.12 120.40 122.44 1sfq s VAL 17 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1sfq s VAL 17 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1sfq s VAL 17 CO 0.00 0.46 0.00 -0.62 0.00 0.00 0.00 175.10 174.94 1sfq n GLU 18 N 3.60 -1.25 0.00 2.72 -0.58 -1.26 -2.11 120.64 121.75 1sfq n GLU 18 Ca -0.17 0.85 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 1sfq n GLU 18 Cb 0.52 -5.20 0.00 0.00 -0.57 0.00 0.00 31.44 26.20 1sfq n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sfq n GLY 19 N -1.01 1.88 3.34 0.62 0.00 -1.26 -4.71 105.19 104.05 1sfq n GLY 19 Ca -0.18 -2.01 -0.12 0.00 0.00 0.00 0.00 46.02 43.70 1sfq n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sfq s SER 20 N -1.00 0.19 0.25 1.61 1.04 -0.20 -4.90 113.70 110.68 1sfq s SER 20 Ca 0.00 -1.27 -0.30 0.00 0.48 0.00 0.00 55.95 54.86 1sfq s SER 20 Cb 0.00 0.47 -0.11 0.00 0.10 0.00 0.00 66.02 66.48 1sfq s SER 20 CO 0.00 -0.97 1.53 -1.81 0.98 0.00 0.00 173.24 172.97 1sfq s ASP 21 N -3.13 6.53 0.64 7.02 1.11 -1.26 -0.67 116.67 126.91 1sfq s ASP 21 Ca 0.33 2.77 -0.14 0.00 0.18 0.00 0.00 52.55 55.69 1sfq s ASP 21 Cb 0.04 -2.62 -0.01 0.00 1.07 0.00 0.00 42.92 41.39 1sfq s ASP 21 CO 0.12 -0.81 1.07 0.00 1.18 0.00 0.00 175.17 176.73 1sfq s ALA 22 N 0.25 2.64 0.41 5.23 0.00 0.16 -4.81 121.76 125.64 1sfq s ALA 22 Ca 0.63 0.35 -0.18 0.00 0.00 0.00 0.00 51.96 52.77 1sfq s ALA 22 Cb -0.45 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.33 1sfq s ALA 22 CO 0.42 -1.05 0.88 -1.21 0.00 0.00 0.00 175.76 174.80 1sfq s GLU 23 N -4.33 4.11 0.23 0.00 2.02 -1.26 -4.92 118.70 114.55 1sfq s GLU 23 Ca 0.63 0.93 -0.31 0.00 0.02 0.00 0.00 54.97 56.24 1sfq s GLU 23 Cb -0.17 -2.26 -0.11 0.00 0.10 0.00 0.00 34.13 31.69 1sfq s GLU 23 CO 0.43 -0.00 1.62 0.42 0.02 0.00 0.00 175.26 177.74 1sfq s ILE 24 N -2.18 2.25 0.00 -1.63 1.01 -1.26 -2.08 121.20 117.31 1sfq s ILE 24 Ca 0.59 0.19 0.00 0.00 0.00 0.00 0.00 60.65 61.43 1sfq s ILE 24 Cb -0.10 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.25 1sfq s ILE 24 CO 0.17 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.74 1sfq n GLY 25 N 3.21 0.43 0.20 6.18 0.00 -1.26 -4.90 105.19 109.04 1sfq n GLY 25 Ca 0.12 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.21 1sfq n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1sfq h MET 26 N 0.91 0.00 -2.02 1.61 -1.53 -1.81 -3.35 114.93 108.75 1sfq h MET 26 Ca 0.00 0.00 -0.56 0.00 -3.44 0.00 0.00 59.70 55.70 1sfq h MET 26 Cb 0.19 0.00 -0.39 0.00 -0.55 0.00 0.00 31.60 30.85 1sfq h MET 26 CO 0.00 0.33 -1.10 0.45 0.14 0.00 0.00 176.91 176.74 1sfq n SER 27 N -3.50 0.20 0.00 1.39 2.88 -1.26 -4.98 113.62 108.35 1sfq n SER 27 Ca -0.00 -2.69 0.06 0.00 -1.33 0.00 0.00 58.87 54.91 1sfq n SER 27 Cb 0.49 -0.64 0.30 0.00 -0.75 0.00 0.00 64.21 63.61 1sfq n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1sfq n PRO 28 N 1.46 0.13 0.00 -1.46 -0.04 -1.26 -1.43 135.00 132.40 1sfq n PRO 28 Ca 0.22 0.20 0.13 0.00 -0.04 0.00 0.00 63.50 64.00 1sfq n PRO 28 Cb 0.53 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.75 1sfq n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1sfq n TRP 29 N -1.34 0.00 -1.96 0.54 2.14 -1.02 -1.66 117.44 114.14 1sfq n TRP 29 Ca 0.05 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.20 1sfq n TRP 29 Cb 0.11 -0.01 -0.03 0.00 -0.81 0.00 0.00 31.31 30.57 1sfq n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1sfq s GLN 30 N -2.10 4.23 0.06 -2.67 2.00 -0.52 -0.31 119.66 120.36 1sfq s GLN 30 Ca 0.30 2.35 0.06 0.00 -2.00 0.00 0.00 55.36 56.07 1sfq s GLN 30 Cb 0.20 -3.13 -0.03 0.00 0.80 0.00 0.00 33.01 30.86 1sfq s GLN 30 CO 0.36 -0.53 -0.17 0.08 -0.50 0.00 0.00 175.29 174.53 1sfq s VAL 31 N 0.61 1.33 -0.18 1.34 1.01 -0.09 -4.05 120.40 120.37 1sfq s VAL 31 Ca 0.65 -1.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 1sfq s VAL 31 Cb -0.43 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 1sfq s VAL 31 CO 0.37 -0.02 -0.07 -0.32 0.00 0.00 0.00 175.10 175.06 1sfq s MET 32 N -1.42 3.43 -0.25 2.72 1.75 0.01 -1.33 119.30 124.20 1sfq s MET 32 Ca 0.03 -0.63 -0.18 0.00 -1.25 0.00 0.00 55.69 53.66 1sfq s MET 32 Cb -0.09 -2.86 -0.03 0.00 2.84 0.00 0.00 34.83 34.69 1sfq s MET 32 CO 0.02 0.01 0.51 -1.17 -0.65 0.00 0.00 175.02 173.74 1sfq s LEU 33 N 0.91 4.06 -0.09 4.11 2.96 -0.50 -0.32 118.68 129.81 1sfq s LEU 33 Ca -0.01 0.52 0.04 0.00 -0.22 0.00 0.00 54.13 54.46 1sfq s LEU 33 Cb -0.15 -2.65 -0.01 0.00 0.50 0.00 0.00 46.19 43.88 1sfq s LEU 33 CO 0.01 -0.27 -0.22 0.12 -1.32 0.00 0.00 176.35 174.66 1sfq s PHE 34 N 2.22 2.57 0.20 5.38 2.19 0.10 -1.40 117.98 129.24 1sfq s PHE 34 Ca 0.21 -0.86 -0.29 0.00 0.33 0.00 0.00 56.93 56.33 1sfq s PHE 34 Cb -0.16 -1.69 -0.08 0.00 -1.31 0.00 0.00 43.02 39.78 1sfq s PHE 34 CO 0.09 -0.31 0.89 0.50 1.83 0.00 0.00 175.22 178.23 1sfq s ARG 35 N 0.15 4.75 -0.06 10.12 3.52 0.26 -0.72 118.95 136.96 1sfq s ARG 35 Ca -0.12 1.38 -0.25 0.00 -0.13 0.00 0.00 55.73 56.61 1sfq s ARG 35 Cb -0.16 -3.29 -0.25 0.00 -1.56 0.00 0.00 34.95 29.69 1sfq s ARG 35 CO 0.07 0.49 0.97 0.87 -0.81 0.00 0.00 175.30 176.89 1sfq h LYS 36 N 4.41 0.16 -2.88 5.12 1.57 -1.55 -3.02 116.57 120.38 1sfq h LYS 36 Ca -0.45 -0.20 -0.28 0.00 -1.87 0.00 0.00 60.65 57.85 1sfq h LYS 36 Cb 1.20 0.06 -0.35 0.00 0.08 0.00 0.00 32.23 33.23 1sfq h LYS 36 CO 0.68 0.98 -0.60 0.45 -0.57 0.00 0.00 179.45 180.39 1sfq s SER 36 N -6.39 0.81 0.88 0.86 0.15 -1.26 -3.19 113.70 105.56 1sfq s SER 36 Ca -0.16 0.26 -0.12 0.00 0.70 0.00 0.00 55.95 56.63 1sfq s SER 36 Cb 0.00 0.42 0.12 0.00 -1.71 0.00 0.00 66.02 64.85 1sfq s SER 36 CO 0.75 -0.26 1.09 -2.16 1.20 0.00 0.00 173.24 173.85 1sfq s PRO 37 N 2.34 1.41 0.12 5.44 0.04 -1.26 -5.06 135.00 138.03 1sfq s PRO 37 Ca 0.03 0.77 -0.31 0.00 0.04 0.00 0.00 61.00 61.54 1sfq s PRO 37 Cb -0.13 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 1sfq s PRO 37 CO -0.08 -2.12 1.57 -0.65 0.04 0.00 0.00 177.00 175.76 1sfq s GLN 38 N -4.98 4.22 -0.27 4.56 -0.21 -1.19 -4.69 119.66 117.10 1sfq s GLN 38 Ca 0.63 2.31 -0.21 0.00 0.02 0.00 0.00 55.36 58.11 1sfq s GLN 38 Cb -0.17 -3.32 0.07 0.00 1.00 0.00 0.00 33.01 30.59 1sfq s GLN 38 CO 0.56 -0.63 0.68 -2.00 -2.12 0.00 0.00 175.29 171.79 1sfq s GLU 39 N 1.67 0.76 -0.38 2.91 2.12 -1.14 -4.97 118.70 119.66 1sfq s GLU 39 Ca 0.71 1.06 -0.27 0.00 0.36 0.00 0.00 54.97 56.83 1sfq s GLU 39 Cb -0.41 0.29 0.02 0.00 0.26 0.00 0.00 34.13 34.28 1sfq s GLU 39 CO 0.31 -0.12 0.98 -1.17 -0.54 0.00 0.00 175.26 174.73 1sfq s LEU 40 N 0.88 3.93 -0.16 2.70 2.96 -1.26 -0.58 118.68 127.16 1sfq s LEU 40 Ca -0.04 0.60 -0.11 0.00 -0.22 0.00 0.00 54.13 54.36 1sfq s LEU 40 Cb -0.05 -3.35 -0.23 0.00 0.50 0.00 0.00 46.19 43.06 1sfq s LEU 40 CO -0.07 -0.94 0.28 0.18 -1.32 0.00 0.00 176.35 174.48 1sfq n LEU 41 N 6.99 2.38 -3.89 -0.68 4.77 -0.49 -4.98 117.00 121.10 1sfq n LEU 41 Ca 0.09 0.27 -0.03 0.00 -0.03 0.00 0.00 56.01 56.30 1sfq n LEU 41 Cb 0.48 -1.06 0.02 0.00 -2.33 0.00 0.00 43.42 40.53 1sfq n LEU 41 CO 0.61 0.67 0.81 0.00 -1.33 0.00 0.00 177.39 178.14 1sfq s GLY 43 N -3.41 1.74 0.08 0.00 0.00 0.12 -1.40 107.32 104.45 1sfq s GLY 43 Ca 0.22 -2.05 -0.26 0.00 0.00 0.00 0.00 44.72 42.62 1sfq s GLY 43 CO 0.05 -1.57 1.14 0.00 0.00 0.00 0.00 173.10 172.73 1sfq s ALA 44 N -2.77 -1.96 0.02 3.20 0.00 -0.44 -3.72 121.76 116.08 1sfq s ALA 44 Ca 0.63 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1sfq s ALA 44 Cb -0.06 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 1sfq s ALA 44 CO 0.40 -1.08 -0.03 -1.54 0.00 0.00 0.00 175.76 173.52 1sfq s SER 45 N -3.28 0.21 -0.24 0.00 1.04 0.02 -0.91 113.70 110.53 1sfq s SER 45 Ca 0.19 -0.42 -0.20 0.00 0.48 0.00 0.00 55.95 56.01 1sfq s SER 45 Cb 0.00 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.18 1sfq s SER 45 CO 0.01 -0.25 0.59 -0.22 0.98 0.00 0.00 173.24 174.35 1sfq s LEU 46 N -1.22 4.08 -0.01 2.42 2.96 0.58 -0.67 118.68 126.82 1sfq s LEU 46 Ca -0.13 0.67 0.09 0.00 -0.22 0.00 0.00 54.13 54.54 1sfq s LEU 46 Cb -0.08 -2.80 -0.12 0.00 0.50 0.00 0.00 46.19 43.69 1sfq s LEU 46 CO -0.01 -0.32 0.32 2.30 -1.32 0.00 0.00 176.35 177.32 1sfq n ILE 47 N 5.05 0.00 -3.59 6.68 -5.35 -0.65 -1.81 119.36 119.69 1sfq n ILE 47 Ca -0.02 -0.26 -0.07 0.00 -0.27 0.00 0.00 62.75 62.14 1sfq n ILE 47 Cb 0.49 0.71 0.02 0.00 -1.74 0.00 0.00 39.64 39.13 1sfq n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1sfq n SER 48 N -1.47 -1.71 0.00 7.28 3.41 -1.17 -4.71 113.62 115.25 1sfq n SER 48 Ca 0.00 -2.19 0.10 0.00 -0.26 0.00 0.00 58.87 56.52 1sfq n SER 48 Cb 0.19 2.85 0.43 0.00 -0.26 0.00 0.00 64.21 67.42 1sfq n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1sfq n ASP 49 N -1.40 0.00 0.00 4.04 5.75 -1.26 -3.61 116.55 120.07 1sfq n ASP 49 Ca -0.07 0.46 0.00 0.00 -0.01 0.00 0.00 54.79 55.18 1sfq n ASP 49 Cb 0.44 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1sfq n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1sfq n ARG 50 N -1.49 3.20 -5.23 0.11 1.74 -1.26 -0.44 116.66 113.29 1sfq n ARG 50 Ca 0.05 -0.08 -0.31 0.00 -0.77 0.00 0.00 57.85 56.74 1sfq n ARG 50 Cb 0.23 -0.44 -0.17 0.00 -1.02 0.00 0.00 32.46 31.06 1sfq n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1sfq s TRP 51 N -0.48 2.41 -0.06 -1.55 0.52 -1.24 -0.71 118.94 117.83 1sfq s TRP 51 Ca 0.00 -0.78 0.05 0.00 0.02 0.00 0.00 56.10 55.40 1sfq s TRP 51 Cb 0.00 -1.59 -0.01 0.00 -1.15 0.00 0.00 33.47 30.72 1sfq s TRP 51 CO 0.00 -0.26 -0.23 0.08 0.02 0.00 0.00 176.95 176.56 1sfq s VAL 52 N -0.04 1.94 -0.04 4.03 1.01 -0.04 -1.63 120.40 125.62 1sfq s VAL 52 Ca -0.07 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 1sfq s VAL 52 Cb -0.15 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1sfq s VAL 52 CO 0.05 0.54 0.12 -0.22 0.00 0.00 0.00 175.10 175.59 1sfq s LEU 53 N -0.02 4.14 0.00 3.92 2.96 0.15 -0.50 118.68 129.34 1sfq s LEU 53 Ca -0.07 0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 54.10 1sfq s LEU 53 Cb -0.14 -2.29 0.01 0.00 0.50 0.00 0.00 46.19 44.27 1sfq s LEU 53 CO 0.04 0.31 0.23 1.07 -1.32 0.00 0.00 176.35 176.69 1sfq n THR 54 N 1.39 0.00 -3.50 3.68 5.66 -0.64 -0.80 114.28 120.06 1sfq n THR 54 Ca -0.15 -0.40 -0.37 0.00 -3.05 0.00 0.00 64.05 60.09 1sfq n THR 54 Cb 0.53 0.34 -0.06 0.00 -1.55 0.00 0.00 70.33 69.59 1sfq n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sfq s ALA 55 N -1.53 3.69 0.24 1.79 0.00 -1.26 -1.55 121.76 123.14 1sfq s ALA 55 Ca 0.06 -0.25 -0.06 0.00 0.00 0.00 0.00 51.96 51.71 1sfq s ALA 55 Cb -0.01 -2.38 0.24 0.00 0.00 0.00 0.00 23.12 20.97 1sfq s ALA 55 CO 0.05 0.50 1.91 0.00 0.00 0.00 0.00 175.76 178.22 1sfq h ALA 56 N 4.30 1.23 0.00 0.00 0.00 -1.69 -2.37 119.26 120.73 1sfq h ALA 56 Ca -0.51 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1sfq h ALA 56 Cb 1.21 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1sfq h ALA 56 CO 0.63 0.65 0.00 -2.39 0.00 0.00 0.00 179.25 178.15 1sfq n HIS 57 N -4.38 0.80 0.20 0.00 1.44 -1.26 -0.59 115.22 111.43 1sfq n HIS 57 Ca 0.11 0.37 0.07 0.00 -2.01 0.00 0.00 57.72 56.27 1sfq n HIS 57 Cb 0.03 -1.10 0.37 0.00 0.12 0.00 0.00 29.99 29.41 1sfq n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1sfq n LEU 59 N -3.45 2.84 -3.83 0.00 4.77 0.22 -4.90 117.00 112.64 1sfq n LEU 59 Ca 0.00 -0.10 -0.27 0.00 -0.03 0.00 0.00 56.01 55.61 1sfq n LEU 59 Cb 0.49 -0.62 -0.17 0.00 -2.33 0.00 0.00 43.42 40.79 1sfq n LEU 59 CO 0.35 0.80 -0.40 -0.22 -1.33 0.00 0.00 177.39 176.60 1sfq s LEU 60 N -6.07 1.43 0.16 2.23 2.96 0.24 -0.87 118.68 118.76 1sfq s LEU 60 Ca -0.25 -0.68 -0.14 0.00 -0.22 0.00 0.00 54.13 52.84 1sfq s LEU 60 Cb 0.07 -0.77 0.02 0.00 0.50 0.00 0.00 46.19 46.00 1sfq s LEU 60 CO 0.45 -0.23 0.40 -0.47 -1.32 0.00 0.00 176.35 175.19 1sfq s TYR 60 N 1.73 0.03 0.00 5.38 5.04 0.43 -4.06 117.35 125.90 1sfq s TYR 60 Ca 0.00 -0.38 0.00 0.00 -2.44 0.00 0.00 57.07 54.25 1sfq s TYR 60 Cb -0.16 0.20 0.00 0.00 0.35 0.00 0.00 41.96 42.35 1sfq s TYR 60 CO -0.07 -0.79 0.00 -2.30 -1.34 0.00 0.00 175.55 171.05 1sfq n PRO 60 N -0.26 0.00 -0.41 4.97 -0.02 -1.26 -1.78 135.00 136.24 1sfq n PRO 60 Ca -0.11 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.45 1sfq n PRO 60 Cb 0.63 0.00 0.25 0.00 -0.02 0.00 0.00 33.50 34.35 1sfq n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1sfq n TRP 60 N 0.00 0.91 -3.74 6.00 8.01 -1.26 -4.96 117.44 122.40 1sfq n TRP 60 Ca 0.00 -0.75 -0.24 0.00 -1.31 0.00 0.00 57.50 55.20 1sfq n TRP 60 Cb 0.00 -0.24 0.04 0.00 -2.01 0.00 0.00 31.31 29.09 1sfq n TRP 60 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1sfq n ASP 60 N -0.07 -2.39 -4.20 -0.99 2.03 -1.13 -4.96 116.55 104.84 1sfq n ASP 60 Ca 0.19 -0.79 -0.33 0.00 0.52 0.00 0.00 54.79 54.39 1sfq n ASP 60 Cb 0.78 -4.09 -0.16 0.00 -0.72 0.00 0.00 41.12 36.93 1sfq n ASP 60 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1sfq s LYS 60 N -6.14 3.08 -0.47 -0.67 2.20 -0.73 -5.02 119.74 111.98 1sfq s LYS 60 Ca 0.21 -0.82 0.04 0.00 -0.36 0.00 0.00 55.97 55.03 1sfq s LYS 60 Cb -0.10 -2.48 0.21 0.00 -1.51 0.00 0.00 37.83 33.95 1sfq s LYS 60 CO 0.81 0.01 0.88 -1.71 -0.36 0.00 0.00 175.35 174.97 1sfq n ASN 60 N 4.04 -2.80 -4.79 1.43 5.15 -1.23 -0.43 115.26 116.63 1sfq n ASN 60 Ca -0.20 -2.61 -0.36 0.00 -0.60 0.00 0.00 54.58 50.81 1sfq n ASN 60 Cb 0.52 1.53 -0.04 0.00 -0.53 0.00 0.00 39.78 41.26 1sfq n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1sfq s PHE 60 N 0.77 3.16 0.40 1.20 0.08 -0.04 -5.01 117.98 118.53 1sfq s PHE 60 Ca 0.29 1.62 0.08 0.00 0.12 0.00 0.00 56.93 59.03 1sfq s PHE 60 Cb 0.10 -3.12 -0.05 0.00 -0.57 0.00 0.00 43.02 39.38 1sfq s PHE 60 CO -0.12 -0.74 0.16 0.95 -0.10 0.00 0.00 175.22 175.37 1sfq s THR 60 N -1.76 2.42 0.24 0.64 -4.23 -1.26 -4.88 115.64 106.81 1sfq s THR 60 Ca 0.61 -1.73 -0.06 0.00 -1.18 0.00 0.00 61.69 59.33 1sfq s THR 60 Cb -0.20 -2.97 0.25 0.00 1.34 0.00 0.00 72.50 70.92 1sfq s THR 60 CO 0.25 -0.04 1.66 -0.33 -0.54 0.00 0.00 174.62 175.62 1sfq h GLU 61 N 1.48 0.16 0.00 3.99 3.07 -1.94 -1.63 114.58 119.71 1sfq h GLU 61 Ca -0.43 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 1sfq h GLU 61 Cb 1.25 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1sfq h GLU 61 CO 0.69 0.10 0.00 -1.71 -1.40 0.00 0.00 179.01 176.69 1sfq n ASN 62 N -5.27 0.31 0.10 1.42 4.05 -1.26 -2.84 115.26 111.76 1sfq n ASN 62 Ca 0.14 0.57 0.13 0.00 0.45 0.00 0.00 54.58 55.86 1sfq n ASN 62 Cb 0.47 -0.63 0.36 0.00 1.23 0.00 0.00 39.78 41.20 1sfq n ASN 62 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1sfq n ASP 63 N -1.83 0.79 -4.45 1.20 8.00 -0.61 -4.92 116.55 114.73 1sfq n ASP 63 Ca 0.04 0.48 -0.22 0.00 0.71 0.00 0.00 54.79 55.80 1sfq n ASP 63 Cb 0.23 -0.60 -0.10 0.00 -0.02 0.00 0.00 41.12 40.62 1sfq n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1sfq s LEU 64 N -4.46 2.41 0.04 0.64 1.43 -1.13 -1.38 118.68 116.23 1sfq s LEU 64 Ca 0.10 -1.27 -0.12 0.00 -1.03 0.00 0.00 54.13 51.81 1sfq s LEU 64 Cb 0.13 -0.56 0.01 0.00 0.03 0.00 0.00 46.19 45.79 1sfq s LEU 64 CO 0.62 -0.45 0.25 -0.76 0.23 0.00 0.00 176.35 176.24 1sfq s LEU 65 N -3.48 1.13 0.09 1.79 1.43 0.10 -4.49 118.68 115.25 1sfq s LEU 65 Ca 0.32 -0.26 0.10 0.00 -1.03 0.00 0.00 54.13 53.26 1sfq s LEU 65 Cb 0.06 1.14 -0.04 0.00 0.03 0.00 0.00 46.19 47.39 1sfq s LEU 65 CO 0.14 -0.57 -0.25 0.68 0.23 0.00 0.00 176.35 176.57 1sfq s VAL 66 N -2.47 2.34 -0.14 -1.59 -7.23 -0.75 0.01 120.40 110.57 1sfq s VAL 66 Ca -0.06 -1.56 0.01 0.00 -1.81 0.00 0.00 61.98 58.56 1sfq s VAL 66 Cb -0.01 -2.00 -0.00 0.00 0.56 0.00 0.00 36.38 34.92 1sfq s VAL 66 CO -0.03 0.20 -0.18 -0.13 -0.31 0.00 0.00 175.10 174.65 1sfq s ARG 67 N -1.76 3.18 0.11 4.82 0.52 0.56 -1.22 118.95 125.15 1sfq s ARG 67 Ca 0.14 -0.78 0.09 0.00 -0.52 0.00 0.00 55.73 54.65 1sfq s ARG 67 Cb -0.10 -2.52 -0.04 0.00 0.52 0.00 0.00 34.95 32.81 1sfq s ARG 67 CO 0.05 0.08 -0.18 0.42 0.02 0.00 0.00 175.30 175.70 1sfq s ILE 68 N 0.62 2.84 -0.24 1.52 1.01 0.57 -0.81 121.20 126.71 1sfq s ILE 68 Ca -0.10 -1.46 0.00 0.00 0.00 0.00 0.00 60.65 59.09 1sfq s ILE 68 Cb -0.16 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.02 1sfq s ILE 68 CO 0.03 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.71 1sfq n GLY 69 N 0.89 0.57 3.87 6.18 0.00 -1.26 -0.18 105.19 115.26 1sfq n GLY 69 Ca -0.16 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 1sfq n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sfq s LYS 70 N -1.80 3.87 0.01 1.61 1.02 -1.26 -4.19 119.74 119.00 1sfq s LYS 70 Ca 0.00 0.41 -0.00 0.00 0.02 0.00 0.00 55.97 56.40 1sfq s LYS 70 Cb 0.00 -2.57 -0.00 0.00 -0.52 0.00 0.00 37.83 34.74 1sfq s LYS 70 CO 0.00 0.26 -0.01 1.58 -0.92 0.00 0.00 175.35 176.26 1sfq n HIS 71 N -0.22 0.00 -2.91 3.18 -0.00 -1.26 -4.95 115.22 109.07 1sfq n HIS 71 Ca 0.02 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.43 1sfq n HIS 71 Cb 0.53 -0.02 -0.03 0.00 -0.00 0.00 0.00 29.99 30.46 1sfq n HIS 71 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1sfq s SER 72 N -5.22 6.54 -0.27 0.26 1.04 -1.26 -0.91 113.70 113.89 1sfq s SER 72 Ca -0.01 1.13 -0.11 0.00 0.48 0.00 0.00 55.95 57.44 1sfq s SER 72 Cb 0.00 -2.32 -0.05 0.00 0.10 0.00 0.00 66.02 63.75 1sfq s SER 72 CO 0.01 -0.37 0.19 -0.60 0.98 0.00 0.00 173.24 173.45 1sfq s ARG 73 N -3.75 3.99 0.00 4.02 3.52 0.19 -4.52 118.95 122.40 1sfq s ARG 73 Ca 0.51 -0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.83 1sfq s ARG 73 Cb -0.10 -3.63 0.00 0.00 -1.56 0.00 0.00 34.95 29.66 1sfq s ARG 73 CO 0.30 -0.12 0.00 0.25 -0.81 0.00 0.00 175.30 174.92 1sfq n THR 74 N 4.86 0.00 -1.61 4.11 -2.24 -1.26 -4.74 114.28 113.39 1sfq n THR 74 Ca -0.14 0.00 -0.48 0.00 -2.27 0.00 0.00 64.05 61.16 1sfq n THR 74 Cb 0.52 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 1sfq n THR 74 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1sfq n ARG 75 N 0.00 1.45 -2.86 -0.78 0.00 -1.26 -4.90 116.66 108.30 1sfq n ARG 75 Ca 0.00 0.52 -0.43 0.00 -0.00 0.00 0.00 57.85 57.94 1sfq n ARG 75 Cb 0.00 -2.08 -0.04 0.00 0.00 0.00 0.00 32.46 30.33 1sfq n ARG 75 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 1sfq s TYR 76 N -0.04 2.94 -1.20 -0.14 5.04 -1.26 -4.82 117.35 117.87 1sfq s TYR 76 Ca 0.73 0.32 -0.07 0.00 -2.44 0.00 0.00 57.07 55.61 1sfq s TYR 76 Cb -0.80 -3.90 0.22 0.00 0.35 0.00 0.00 41.96 37.84 1sfq s TYR 76 CO 0.50 -1.08 1.79 0.39 -1.34 0.00 0.00 175.55 175.81 1sfq n GLU 77 N 7.06 4.13 -1.60 4.97 1.02 -1.26 -4.99 120.64 129.97 1sfq n GLU 77 Ca 0.05 -3.95 -0.59 0.00 -0.02 0.00 0.00 57.16 52.65 1sfq n GLU 77 Cb 0.48 -2.72 -0.08 0.00 -0.02 0.00 0.00 31.44 29.10 1sfq n GLU 77 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sfq n ALA 77 N 2.52 -2.13 -1.11 0.62 0.00 -1.26 -0.79 120.51 118.37 1sfq n ALA 77 Ca 0.37 0.53 -0.04 0.00 0.00 0.00 0.00 53.44 54.31 1sfq n ALA 77 Cb 0.33 -1.92 -0.02 0.00 0.00 0.00 0.00 19.45 17.84 1sfq n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sfq n ASN 78 N 2.75 -5.82 -0.04 0.00 3.02 -1.26 -4.69 115.26 109.21 1sfq n ASN 78 Ca 0.23 0.10 -0.08 0.00 -0.03 0.00 0.00 54.58 54.79 1sfq n ASN 78 Cb 0.08 -3.72 -0.03 0.00 -0.61 0.00 0.00 39.78 35.50 1sfq n ASN 78 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1sfq n ILE 79 N -2.05 1.15 -1.86 2.41 2.08 0.03 -4.99 119.36 116.12 1sfq n ILE 79 Ca -0.04 0.10 -0.32 0.00 0.56 0.00 0.00 62.75 63.05 1sfq n ILE 79 Cb 0.53 -1.87 0.02 0.00 -0.75 0.00 0.00 39.64 37.57 1sfq n ILE 79 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1sfq s GLU 80 N -2.38 3.23 -0.02 0.38 -1.05 -0.46 -4.75 118.70 113.65 1sfq s GLU 80 Ca -0.16 1.04 0.03 0.00 -0.15 0.00 0.00 54.97 55.73 1sfq s GLU 80 Cb 0.04 -2.03 -0.00 0.00 -0.44 0.00 0.00 34.13 31.70 1sfq s GLU 80 CO 0.23 -0.87 -0.12 0.15 0.95 0.00 0.00 175.26 175.60 1sfq s LYS 81 N -4.57 1.08 -0.20 -4.83 3.01 0.75 -4.91 119.74 110.08 1sfq s LYS 81 Ca 0.60 -0.42 -0.04 0.00 -1.01 0.00 0.00 55.97 55.11 1sfq s LYS 81 Cb -0.14 -1.02 -0.02 0.00 -1.01 0.00 0.00 37.83 35.64 1sfq s LYS 81 CO 0.45 0.21 -0.03 0.42 0.51 0.00 0.00 175.35 176.91 1sfq s ILE 82 N -0.09 3.61 0.09 2.17 1.01 -1.26 -0.31 121.20 126.42 1sfq s ILE 82 Ca 0.01 -0.43 0.10 0.00 0.00 0.00 0.00 60.65 60.34 1sfq s ILE 82 Cb -0.07 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 1sfq s ILE 82 CO 0.00 0.44 -0.27 -0.44 0.00 0.00 0.00 174.94 174.67 1sfq s SER 83 N 1.13 3.24 0.31 3.58 0.01 -0.36 -4.99 113.70 116.63 1sfq s SER 83 Ca 0.02 -0.67 -0.02 0.00 1.31 0.00 0.00 55.95 56.59 1sfq s SER 83 Cb -0.15 -0.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.79 1sfq s SER 83 CO 0.00 0.22 0.54 -0.04 0.41 0.00 0.00 173.24 174.37 1sfq s MET 84 N -1.67 3.55 -0.18 12.44 -1.94 -1.26 -1.81 119.30 128.42 1sfq s MET 84 Ca 0.13 -0.18 -0.13 0.00 -1.71 0.00 0.00 55.69 53.80 1sfq s MET 84 Cb -0.10 -2.67 -0.05 0.00 2.01 0.00 0.00 34.83 34.03 1sfq s MET 84 CO 0.04 0.19 0.27 -0.51 -0.01 0.00 0.00 175.02 175.01 1sfq s LEU 85 N -3.91 4.21 -0.07 -0.03 1.43 -1.26 -1.48 118.68 117.58 1sfq s LEU 85 Ca 0.42 0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 53.76 1sfq s LEU 85 Cb -0.10 -2.33 -0.30 0.00 0.03 0.00 0.00 46.19 43.49 1sfq s LEU 85 CO 0.33 0.07 0.73 -0.08 0.23 0.00 0.00 176.35 177.64 1sfq h GLU 86 N 6.90 0.31 -2.38 1.70 4.81 0.02 -3.43 114.58 122.51 1sfq h GLU 86 Ca -0.40 -0.52 -0.08 0.00 -0.13 0.00 0.00 59.36 58.23 1sfq h GLU 86 Cb 1.16 0.19 -0.20 0.00 0.63 0.00 0.00 28.75 30.54 1sfq h GLU 86 CO 0.74 1.25 0.02 0.21 -0.73 0.00 0.00 179.01 180.50 1sfq s LYS 87 N -2.48 0.91 -0.13 1.92 2.47 -1.05 -4.99 119.74 116.39 1sfq s LYS 87 Ca -0.16 0.13 -0.01 0.00 -1.56 0.00 0.00 55.97 54.37 1sfq s LYS 87 Cb 0.03 0.42 -0.02 0.00 -1.46 0.00 0.00 37.83 36.80 1sfq s LYS 87 CO 0.81 -0.27 -0.11 0.42 0.16 0.00 0.00 175.35 176.37 1sfq s ILE 88 N -1.17 3.27 -0.20 5.43 1.01 -1.26 -1.01 121.20 127.28 1sfq s ILE 88 Ca -0.11 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1sfq s ILE 88 Cb -0.02 -2.38 0.04 0.00 0.01 0.00 0.00 42.46 40.11 1sfq s ILE 88 CO 0.08 0.52 -0.11 -0.31 0.00 0.00 0.00 174.94 175.12 1sfq s TYR 89 N 0.26 2.46 -0.11 3.97 1.51 0.27 -4.99 117.35 120.72 1sfq s TYR 89 Ca -0.08 -1.60 -0.04 0.00 -1.01 0.00 0.00 57.07 54.35 1sfq s TYR 89 Cb -0.15 -1.66 -0.04 0.00 -0.11 0.00 0.00 41.96 40.00 1sfq s TYR 89 CO 0.05 -0.75 0.05 0.42 -1.11 0.00 0.00 175.55 174.21 1sfq s ILE 90 N 1.38 4.72 0.13 2.71 1.01 -1.26 -0.08 121.20 129.81 1sfq s ILE 90 Ca -0.01 -0.08 -0.35 0.00 0.00 0.00 0.00 60.65 60.21 1sfq s ILE 90 Cb -0.16 -3.03 -0.14 0.00 0.01 0.00 0.00 42.46 39.14 1sfq s ILE 90 CO -0.09 0.59 1.54 1.57 0.00 0.00 0.00 174.94 178.55 1sfq n HIS 91 N 2.32 2.10 0.32 3.97 -0.00 -1.09 -4.84 115.22 118.00 1sfq n HIS 91 Ca -0.19 0.35 0.20 0.00 -0.00 0.00 0.00 57.72 58.08 1sfq n HIS 91 Cb 0.54 -2.50 1.10 0.00 -0.00 0.00 0.00 29.99 29.13 1sfq n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1sfq h PRO 92 N 5.77 0.00 -0.41 1.57 0.13 -1.95 -2.03 132.00 135.08 1sfq h PRO 92 Ca -0.46 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 1sfq h PRO 92 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1sfq h PRO 92 CO 0.87 0.01 0.02 0.54 -0.23 0.00 0.00 178.00 179.20 1sfq n ARG 93 N -3.30 3.61 -1.94 0.86 1.74 -1.26 -4.97 116.66 111.40 1sfq n ARG 93 Ca -0.03 -2.99 -0.42 0.00 -0.77 0.00 0.00 57.85 53.64 1sfq n ARG 93 Cb 0.09 -2.02 -0.03 0.00 -1.02 0.00 0.00 32.46 29.48 1sfq n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1sfq s TYR 94 N -2.85 1.86 -1.18 -1.55 5.04 -0.77 -4.70 117.35 113.20 1sfq s TYR 94 Ca 0.48 0.07 -0.09 0.00 -2.44 0.00 0.00 57.07 55.08 1sfq s TYR 94 Cb 0.38 -3.98 0.22 0.00 0.35 0.00 0.00 41.96 38.93 1sfq s TYR 94 CO 0.11 -4.19 1.52 -1.71 -1.34 0.00 0.00 175.55 169.94 1sfq n ASN 95 N 7.15 5.53 0.18 4.32 2.85 -0.35 -4.80 115.26 130.15 1sfq n ASN 95 Ca 0.18 -3.13 0.14 0.00 -0.11 0.00 0.00 54.58 51.65 1sfq n ASN 95 Cb 0.42 -1.43 0.53 0.00 1.24 0.00 0.00 39.78 40.54 1sfq n ASN 95 CO 0.00 0.00 0.00 4.11 -2.11 0.00 0.00 177.26 179.26 1sfq h TRP 96 N 6.22 0.00 -0.41 1.20 5.08 -1.91 -1.13 115.95 125.00 1sfq h TRP 96 Ca 0.29 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 60.13 1sfq h TRP 96 Cb 0.74 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.89 1sfq h TRP 96 CO 1.06 0.00 -0.25 0.00 -1.28 0.00 0.00 178.44 177.97 1sfq h ARG 97 N 0.00 0.89 0.00 0.12 2.47 -1.99 -3.44 114.38 112.42 1sfq h ARG 97 Ca 0.00 -0.41 0.00 0.00 -1.26 0.00 0.00 59.98 58.31 1sfq h ARG 97 Cb 0.49 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 1sfq h ARG 97 CO 0.00 1.06 -0.04 -1.91 0.56 0.00 0.00 179.97 179.64 1sfq n GLU 97 N -4.17 0.02 -0.18 0.04 2.13 -1.23 -5.00 120.64 112.25 1sfq n GLU 97 Ca -0.01 0.01 0.03 0.00 0.66 0.00 0.00 57.16 57.84 1sfq n GLU 97 Cb 0.46 -0.22 0.04 0.00 0.27 0.00 0.00 31.44 32.00 1sfq n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1sfq n ASN 98 N -2.66 1.08 -1.40 4.31 6.94 -1.24 -5.01 115.26 117.28 1sfq n ASN 98 Ca -0.01 -2.14 -0.15 0.00 -0.02 0.00 0.00 54.58 52.26 1sfq n ASN 98 Cb 0.02 -0.20 -0.04 0.00 -2.36 0.00 0.00 39.78 37.20 1sfq n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1sfq n LEU 99 N -0.53 -1.36 -4.75 -4.53 4.32 -0.43 -4.96 117.00 104.76 1sfq n LEU 99 Ca 0.05 0.20 -0.42 0.00 -0.02 0.00 0.00 56.01 55.82 1sfq n LEU 99 Cb 0.56 -2.23 -0.00 0.00 -1.62 0.00 0.00 43.42 40.13 1sfq n LEU 99 CO 0.00 -0.50 1.10 -0.67 -1.22 0.00 0.00 177.39 176.10 1sfq n ASP 100 N -0.62 3.56 -3.50 -1.43 2.03 -1.25 -2.17 116.55 113.17 1sfq n ASP 100 Ca -0.16 1.21 -0.19 0.00 0.52 0.00 0.00 54.79 56.17 1sfq n ASP 100 Cb 0.56 -1.58 0.08 0.00 -0.72 0.00 0.00 41.12 39.45 1sfq n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1sfq n ARG 101 N 0.71 -6.73 -2.61 -0.67 1.74 -1.26 -1.21 116.66 106.63 1sfq n ARG 101 Ca 0.03 0.82 -0.43 0.00 -0.77 0.00 0.00 57.85 57.50 1sfq n ARG 101 Cb 0.38 -5.80 -0.00 0.00 -1.02 0.00 0.00 32.46 26.01 1sfq n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1sfq s ASP 102 N -4.13 6.84 -0.05 0.55 2.15 -0.92 -4.37 116.67 116.74 1sfq s ASP 102 Ca 0.13 -2.45 -0.14 0.00 0.43 0.00 0.00 52.55 50.52 1sfq s ASP 102 Cb -0.06 -2.57 0.03 0.00 -0.30 0.00 0.00 42.92 40.02 1sfq s ASP 102 CO 0.74 -1.15 0.33 -0.51 -0.17 0.00 0.00 175.17 174.41 1sfq s ILE 103 N 4.05 0.04 0.01 4.11 2.07 -1.26 -3.81 121.20 126.41 1sfq s ILE 103 Ca 0.53 -0.31 -0.18 0.00 -1.41 0.00 0.00 60.65 59.27 1sfq s ILE 103 Cb 0.03 -0.58 0.03 0.00 0.13 0.00 0.00 42.46 42.08 1sfq s ILE 103 CO 0.07 -0.17 0.41 0.00 -1.91 0.00 0.00 174.94 173.33 1sfq s ALA 104 N -0.83 -1.01 0.09 1.50 0.00 -0.59 -2.66 121.76 118.25 1sfq s ALA 104 Ca -0.09 0.43 0.09 0.00 0.00 0.00 0.00 51.96 52.39 1sfq s ALA 104 Cb -0.04 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1sfq s ALA 104 CO 0.03 -0.37 -0.20 -0.51 0.00 0.00 0.00 175.76 174.71 1sfq s LEU 105 N -1.65 2.59 -0.08 0.00 1.43 0.89 -1.62 118.68 120.24 1sfq s LEU 105 Ca -0.09 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1sfq s LEU 105 Cb -0.02 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.73 1sfq s LEU 105 CO 0.02 0.21 -0.07 -0.04 0.23 0.00 0.00 176.35 176.70 1sfq s MET 106 N -1.83 1.31 -0.20 1.70 -1.94 0.35 -0.57 119.30 118.13 1sfq s MET 106 Ca 0.16 -0.21 -0.12 0.00 -1.71 0.00 0.00 55.69 53.81 1sfq s MET 106 Cb -0.10 -1.32 -0.05 0.00 2.01 0.00 0.00 34.83 35.37 1sfq s MET 106 CO 0.07 -0.17 0.22 0.21 -0.01 0.00 0.00 175.02 175.35 1sfq s LYS 107 N 1.35 4.18 0.38 2.03 2.20 -0.18 -0.86 119.74 128.84 1sfq s LYS 107 Ca -0.03 -0.08 -0.20 0.00 -0.36 0.00 0.00 55.97 55.30 1sfq s LYS 107 Cb -0.14 -3.46 -0.10 0.00 -1.51 0.00 0.00 37.83 32.62 1sfq s LYS 107 CO -0.03 0.18 0.89 -0.51 -0.36 0.00 0.00 175.35 175.51 1sfq s LEU 108 N 0.68 4.05 0.22 5.43 1.43 0.11 0.66 118.68 131.26 1sfq s LEU 108 Ca 0.12 1.60 -0.09 0.00 -1.03 0.00 0.00 54.13 54.73 1sfq s LEU 108 Cb -0.13 -4.30 0.18 0.00 0.03 0.00 0.00 46.19 41.98 1sfq s LEU 108 CO 0.03 -0.26 1.86 0.11 0.23 0.00 0.00 176.35 178.32 1sfq h LYS 109 N 2.26 1.13 -5.38 1.70 1.57 -1.53 -3.40 116.57 112.93 1sfq h LYS 109 Ca -0.48 -0.11 -0.46 0.00 -1.87 0.00 0.00 60.65 57.73 1sfq h LYS 109 Cb 1.18 -0.23 -0.25 0.00 0.08 0.00 0.00 32.23 33.01 1sfq h LYS 109 CO 0.63 0.80 -0.80 0.15 -0.57 0.00 0.00 179.45 179.66 1sfq s LYS 110 N -5.95 0.98 0.46 3.15 1.02 -1.26 -4.96 119.74 113.17 1sfq s LYS 110 Ca -0.13 -0.76 -0.25 0.00 0.02 0.00 0.00 55.97 54.85 1sfq s LYS 110 Cb 0.16 -0.99 -0.08 0.00 -0.52 0.00 0.00 37.83 36.40 1sfq s LYS 110 CO 0.81 0.25 1.40 -1.25 -0.92 0.00 0.00 175.35 175.63 1sfq s PRO 111 N -1.11 3.66 0.16 -1.68 0.04 -1.26 -4.87 135.00 129.94 1sfq s PRO 111 Ca 0.02 2.35 -0.08 0.00 0.04 0.00 0.00 61.00 63.33 1sfq s PRO 111 Cb -0.08 -2.62 -0.06 0.00 0.04 0.00 0.00 34.50 31.78 1sfq s PRO 111 CO 0.01 -0.81 0.45 0.54 0.04 0.00 0.00 177.00 177.23 1sfq s VAL 112 N -1.23 5.05 -0.11 -0.36 0.11 0.42 -5.01 120.40 119.28 1sfq s VAL 112 Ca 0.62 0.32 -0.22 0.00 -2.93 0.00 0.00 61.98 59.77 1sfq s VAL 112 Cb -0.42 -3.63 -0.03 0.00 -1.53 0.00 0.00 36.38 30.76 1sfq s VAL 112 CO 0.54 0.07 0.66 0.00 -3.33 0.00 0.00 175.10 173.04 1sfq s ALA 113 N -1.64 3.41 0.69 1.54 0.00 -1.26 -4.80 121.76 119.69 1sfq s ALA 113 Ca 0.41 0.00 -0.12 0.00 0.00 0.00 0.00 51.96 52.25 1sfq s ALA 113 Cb -0.12 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 20.08 1sfq s ALA 113 CO 0.22 -0.22 1.08 -0.06 0.00 0.00 0.00 175.76 176.78 1sfq s PHE 114 N 1.09 2.87 0.04 0.00 0.08 -1.26 -4.89 117.98 115.91 1sfq s PHE 114 Ca 0.34 1.50 -0.01 0.00 0.12 0.00 0.00 56.93 58.87 1sfq s PHE 114 Cb -0.17 -2.99 0.00 0.00 -0.57 0.00 0.00 43.02 39.29 1sfq s PHE 114 CO 0.15 -1.43 0.08 -1.13 -0.10 0.00 0.00 175.22 172.79 1sfq n SER 115 N -2.93 -0.23 0.30 1.36 3.41 -0.02 -4.93 113.62 110.59 1sfq n SER 115 Ca 0.09 -1.20 0.19 0.00 -0.26 0.00 0.00 58.87 57.69 1sfq n SER 115 Cb 0.53 0.40 0.88 0.00 -0.26 0.00 0.00 64.21 65.75 1sfq n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1sfq h ASP 116 N 0.23 0.00 -0.01 4.04 3.32 -1.99 -3.02 116.42 119.00 1sfq h ASP 116 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1sfq h ASP 116 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1sfq h ASP 116 CO 0.05 0.01 -0.36 -1.22 -1.72 0.00 0.00 179.24 176.00 1sfq n TYR 117 N -3.12 0.00 -3.80 4.55 4.01 -1.26 -4.87 117.16 112.67 1sfq n TYR 117 Ca -0.01 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.45 1sfq n TYR 117 Cb 0.22 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.09 1sfq n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1sfq s ILE 118 N -1.77 0.81 -0.22 -0.72 1.01 -1.14 -4.20 121.20 114.96 1sfq s ILE 118 Ca 0.09 -0.71 -0.21 0.00 0.00 0.00 0.00 60.65 59.82 1sfq s ILE 118 Cb 0.10 -1.22 0.06 0.00 0.01 0.00 0.00 42.46 41.41 1sfq s ILE 118 CO 0.37 -0.15 0.60 -2.28 0.00 0.00 0.00 174.94 173.48 1sfq s HIS 119 N 1.73 -0.66 0.50 3.97 2.46 -0.67 -0.84 115.29 121.79 1sfq s HIS 119 Ca -0.02 1.60 -0.19 0.00 0.47 0.00 0.00 55.06 56.92 1sfq s HIS 119 Cb -0.17 0.23 -0.08 0.00 -0.13 0.00 0.00 32.58 32.43 1sfq s HIS 119 CO -0.07 -0.32 1.02 -1.25 -2.47 0.00 0.00 174.74 171.65 1sfq s PRO 120 N 0.34 3.78 0.35 2.88 0.04 -1.26 -2.43 135.00 138.71 1sfq s PRO 120 Ca -0.00 1.26 -0.03 0.00 0.04 0.00 0.00 61.00 62.27 1sfq s PRO 120 Cb -0.04 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1sfq s PRO 120 CO 0.00 -0.43 0.60 0.54 0.04 0.00 0.00 177.00 177.75 1sfq s VAL 121 N -2.16 5.03 0.37 -0.36 0.11 -0.75 -4.92 120.40 117.73 1sfq s VAL 121 Ca 0.65 -0.11 -0.14 0.00 -2.93 0.00 0.00 61.98 59.45 1sfq s VAL 121 Cb -0.15 -3.81 -0.08 0.00 -1.53 0.00 0.00 36.38 30.81 1sfq s VAL 121 CO 0.23 -0.53 0.78 0.00 -3.33 0.00 0.00 175.10 172.26 1sfq s LEU 123 N -3.39 4.38 0.56 0.00 1.43 -1.26 -0.94 118.68 119.46 1sfq s LEU 123 Ca 0.54 0.54 -0.19 0.00 -1.03 0.00 0.00 54.13 54.00 1sfq s LEU 123 Cb -0.10 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.51 1sfq s LEU 123 CO 0.23 0.28 1.13 -2.16 0.23 0.00 0.00 176.35 176.06 1sfq s PRO 124 N -1.62 3.25 0.34 1.29 0.04 -1.26 -4.90 135.00 132.14 1sfq s PRO 124 Ca 0.25 1.57 0.02 0.00 0.04 0.00 0.00 61.00 62.88 1sfq s PRO 124 Cb -0.13 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.43 1sfq s PRO 124 CO 0.14 -0.92 0.16 -0.40 0.04 0.00 0.00 177.00 176.03 1sfq n ASP 125 N -1.51 2.40 -0.13 6.66 3.85 -1.26 -4.85 116.55 121.71 1sfq n ASP 125 Ca 0.11 -2.28 -0.04 0.00 -0.71 0.00 0.00 54.79 51.87 1sfq n ASP 125 Cb 0.51 0.07 0.04 0.00 -1.35 0.00 0.00 41.12 40.39 1sfq n ASP 125 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.20 176.10 1sfq h ARG 126 N 0.00 0.25 -0.90 0.11 2.43 -1.97 -2.62 114.38 111.68 1sfq h ARG 126 Ca -0.24 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1sfq h ARG 126 Cb 0.81 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.26 1sfq h ARG 126 CO 0.38 0.17 0.55 1.49 -1.51 0.00 0.00 179.97 181.05 1sfq h GLU 127 N 0.26 1.21 -0.51 0.20 4.57 -2.03 -0.55 114.58 117.73 1sfq h GLU 127 Ca 0.21 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1sfq h GLU 127 Cb 0.24 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1sfq h GLU 127 CO -0.25 0.84 0.00 2.41 -1.18 0.00 0.00 179.01 180.83 1sfq n THR 128 N -4.37 0.04 0.00 0.32 -1.04 -0.99 -1.29 114.28 106.95 1sfq n THR 128 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1sfq n THR 128 Cb 0.05 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 1sfq n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sfq n ALA 129 N 0.39 0.00 0.08 2.41 0.00 -0.22 -0.64 120.51 122.54 1sfq n ALA 129 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1sfq n ALA 129 Cb 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.41 1sfq n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1sfq h SER 129 N 0.00 0.33 0.00 0.00 4.64 -1.44 -3.41 113.55 113.67 1sfq h SER 129 Ca 0.00 -0.39 -0.32 0.00 -0.47 0.00 0.00 61.79 60.61 1sfq h SER 129 Cb 0.00 -0.11 -0.06 0.00 -0.31 0.00 0.00 62.40 61.92 1sfq h SER 129 CO 0.00 1.31 -2.26 0.18 -0.87 0.00 0.00 176.83 175.19 1sfq n LEU 129 N -3.46 0.00 -4.14 5.97 4.77 0.19 -4.70 117.00 115.63 1sfq n LEU 129 Ca -0.10 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.46 1sfq n LEU 129 Cb 1.02 0.43 0.00 0.00 -2.33 0.00 0.00 43.42 42.54 1sfq n LEU 129 CO 0.51 0.43 2.19 -0.11 -1.33 0.00 0.00 177.39 179.08 1sfq n LEU 130 N -2.66 5.95 -4.12 2.23 7.94 -1.26 -4.87 117.00 120.21 1sfq n LEU 130 Ca -0.29 -4.16 -0.20 0.00 -1.11 0.00 0.00 56.01 50.25 1sfq n LEU 130 Cb 1.07 -1.67 -0.14 0.00 0.53 0.00 0.00 43.42 43.22 1sfq n LEU 130 CO 0.40 0.75 -0.46 -1.10 -1.11 0.00 0.00 177.39 175.86 1sfq s GLN 131 N 3.03 0.97 0.28 1.96 -1.52 -1.26 -4.95 119.66 118.17 1sfq s GLN 131 Ca 0.48 -0.64 -0.30 0.00 -1.95 0.00 0.00 55.36 52.95 1sfq s GLN 131 Cb 0.08 -0.96 -0.13 0.00 -0.22 0.00 0.00 33.01 31.78 1sfq s GLN 131 CO -0.00 0.25 1.32 0.00 -0.25 0.00 0.00 175.29 176.61 1sfq n ALA 132 N 2.23 1.04 0.00 6.09 0.00 -1.26 -1.91 120.51 126.70 1sfq n ALA 132 Ca -0.16 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1sfq n ALA 132 Cb 0.55 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1sfq n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sfq n GLY 133 N 1.53 3.00 3.78 0.00 0.00 0.55 -4.94 105.19 109.10 1sfq n GLY 133 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1sfq n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sfq s TYR 134 N -2.66 3.32 -0.06 1.61 2.02 -0.80 -4.67 117.35 116.12 1sfq s TYR 134 Ca 0.00 1.66 -0.04 0.00 -0.37 0.00 0.00 57.07 58.31 1sfq s TYR 134 Cb 0.00 -3.13 -0.04 0.00 -0.40 0.00 0.00 41.96 38.39 1sfq s TYR 134 CO 0.00 -0.57 0.15 0.15 -1.57 0.00 0.00 175.55 173.71 1sfq s LYS 135 N -2.38 3.39 0.41 -0.62 1.02 -1.26 -0.77 119.74 119.53 1sfq s LYS 135 Ca 0.56 -0.26 0.00 0.00 0.02 0.00 0.00 55.97 56.29 1sfq s LYS 135 Cb -0.23 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 33.99 1sfq s LYS 135 CO 0.28 0.72 0.03 0.41 -0.92 0.00 0.00 175.35 175.87 1sfq n GLY 136 N 1.43 3.60 3.03 -3.33 0.00 0.17 -4.86 105.19 105.23 1sfq n GLY 136 Ca -0.15 -2.33 -0.23 0.00 0.00 0.00 0.00 46.02 43.30 1sfq n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sfq s ARG 137 N -3.50 1.45 -0.02 1.61 3.52 0.55 -0.93 118.95 121.64 1sfq s ARG 137 Ca 0.03 -0.40 0.06 0.00 -0.13 0.00 0.00 55.73 55.29 1sfq s ARG 137 Cb -0.00 -1.25 -0.02 0.00 -1.56 0.00 0.00 34.95 32.11 1sfq s ARG 137 CO 0.02 0.09 -0.20 0.08 -0.81 0.00 0.00 175.30 174.47 1sfq s VAL 138 N 0.43 2.57 0.06 7.11 1.01 0.03 -0.78 120.40 130.82 1sfq s VAL 138 Ca -0.09 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 60.94 1sfq s VAL 138 Cb -0.13 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1sfq s VAL 138 CO 0.02 0.54 -0.12 0.42 0.00 0.00 0.00 175.10 175.96 1sfq s THR 139 N -0.72 0.87 0.00 3.92 -4.23 -1.23 -1.54 115.64 112.72 1sfq s THR 139 Ca 0.11 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 1sfq s THR 139 Cb -0.10 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 72.85 1sfq s THR 139 CO 0.01 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1sfq n GLY 140 N 1.34 0.74 0.93 3.99 0.00 -0.82 -4.51 105.19 106.87 1sfq n GLY 140 Ca -0.22 -0.84 0.08 0.00 0.00 0.00 0.00 46.02 45.04 1sfq n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1sfq n TRP 141 N -0.19 0.95 -1.17 1.61 8.01 -1.26 -1.56 117.44 123.81 1sfq n TRP 141 Ca 0.00 -0.79 -0.18 0.00 -1.31 0.00 0.00 57.50 55.21 1sfq n TRP 141 Cb 0.00 -0.27 0.14 0.00 -2.01 0.00 0.00 31.31 29.17 1sfq n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1sfq n GLY 142 N -0.20 -2.07 3.64 6.99 0.00 -1.26 -4.42 105.19 107.88 1sfq n GLY 142 Ca 0.20 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 1sfq n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sfq n ASN 143 N -3.88 1.84 0.02 1.61 3.02 -0.59 -2.95 115.26 114.33 1sfq n ASN 143 Ca 0.10 1.16 0.13 0.00 -0.03 0.00 0.00 54.58 55.93 1sfq n ASN 143 Cb 0.36 -1.38 0.34 0.00 -0.61 0.00 0.00 39.78 38.49 1sfq n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1sfq n LEU 144 N 0.89 0.43 -3.59 3.41 4.77 -0.31 -0.22 117.00 122.38 1sfq n LEU 144 Ca 0.08 0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 56.15 1sfq n LEU 144 Cb 0.35 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1sfq n LEU 144 CO 0.60 0.04 0.24 -1.59 -1.33 0.00 0.00 177.39 175.35 1sfq s LYS 145 N -3.04 1.17 0.05 3.23 -2.85 -1.26 -4.38 119.74 112.65 1sfq s LYS 145 Ca 0.11 -0.66 -0.30 0.00 -1.00 0.00 0.00 55.97 54.11 1sfq s LYS 145 Cb 0.17 0.51 -0.08 0.00 -2.06 0.00 0.00 37.83 36.37 1sfq s LYS 145 CO 0.66 -0.48 1.64 -2.00 0.10 0.00 0.00 175.35 175.26 1sfq s GLU 146 N -3.80 4.20 0.06 1.78 2.12 -1.26 -4.91 118.70 116.89 1sfq s GLU 146 Ca 0.03 2.29 -0.19 0.00 0.36 0.00 0.00 54.97 57.46 1sfq s GLU 146 Cb 0.01 -3.65 0.04 0.00 0.26 0.00 0.00 34.13 30.78 1sfq s GLU 146 CO -0.11 -0.74 0.44 -0.08 -0.54 0.00 0.00 175.26 174.23 1sfq s THR 147 N 2.82 0.05 0.00 -1.70 -1.32 -1.26 -5.01 115.64 109.22 1sfq s THR 147 Ca 0.73 -0.41 0.00 0.00 -1.21 0.00 0.00 61.69 60.80 1sfq s THR 147 Cb -0.38 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 69.62 1sfq s THR 147 CO 0.32 -0.23 0.00 0.79 -2.21 0.00 0.00 174.62 173.29 1sfq n TRP 148 N 0.35 0.00 0.00 9.09 8.01 -1.26 -5.06 117.44 128.57 1sfq n TRP 148 Ca -0.18 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.01 1sfq n TRP 148 Cb 0.61 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.91 1sfq n TRP 148 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1sfq n GLY 150 N 0.00 1.06 3.52 6.99 0.00 -1.26 -5.26 105.19 110.23 1sfq n GLY 150 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1sfq n GLY 150 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sfq s GLN 151 N 3.85 2.16 0.56 1.61 2.00 -1.26 -1.16 119.66 127.42 1sfq s GLN 151 Ca 0.00 -0.95 -0.11 0.00 -2.00 0.00 0.00 55.36 52.29 1sfq s GLN 151 Cb 0.00 -2.28 -0.05 0.00 0.80 0.00 0.00 33.01 31.48 1sfq s GLN 151 CO 0.00 0.54 0.96 -1.25 -0.50 0.00 0.00 175.29 175.04 1sfq s PRO 152 N -1.67 3.69 0.08 1.67 0.04 -1.26 -4.97 135.00 132.59 1sfq s PRO 152 Ca 0.17 0.70 0.23 0.00 0.04 0.00 0.00 61.00 62.13 1sfq s PRO 152 Cb -0.11 -2.16 0.02 0.00 0.04 0.00 0.00 34.50 32.29 1sfq s PRO 152 CO 0.08 -0.40 1.00 -1.13 0.04 0.00 0.00 177.00 176.59 1sfq n SER 153 N -2.26 0.60 -4.10 6.66 3.41 -1.26 -4.58 113.62 112.09 1sfq n SER 153 Ca 0.05 -0.05 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 1sfq n SER 153 Cb 0.54 0.80 -0.12 0.00 -0.26 0.00 0.00 64.21 65.17 1sfq n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1sfq s VAL 154 N -3.26 0.79 0.19 -3.33 1.01 -1.26 0.57 120.40 115.11 1sfq s VAL 154 Ca 0.02 -1.04 -0.32 0.00 0.00 0.00 0.00 61.98 60.64 1sfq s VAL 154 Cb 0.13 -0.78 -0.15 0.00 0.00 0.00 0.00 36.38 35.58 1sfq s VAL 154 CO 0.80 -0.21 1.23 -0.11 0.00 0.00 0.00 175.10 176.81 1sfq n LEU 155 N 1.65 1.98 -4.87 3.92 7.94 -0.08 -4.82 117.00 122.72 1sfq n LEU 155 Ca -0.20 1.14 -0.27 0.00 -1.11 0.00 0.00 56.01 55.57 1sfq n LEU 155 Cb 0.55 -1.28 -0.04 0.00 0.53 0.00 0.00 43.42 43.18 1sfq n LEU 155 CO 0.22 -1.07 -0.17 -1.10 -1.11 0.00 0.00 177.39 174.16 1sfq s GLN 156 N -0.41 3.17 0.00 1.96 -1.52 -0.60 -0.67 119.66 121.59 1sfq s GLN 156 Ca 0.71 -0.70 0.00 0.00 -1.95 0.00 0.00 55.36 53.43 1sfq s GLN 156 Cb -0.79 -2.82 -0.00 0.00 -0.22 0.00 0.00 33.01 29.17 1sfq s GLN 156 CO 0.52 0.52 -0.01 0.54 -0.25 0.00 0.00 175.29 176.60 1sfq s VAL 157 N -1.68 0.10 -0.10 1.09 0.11 0.16 -1.95 120.40 118.12 1sfq s VAL 157 Ca 0.33 -0.08 -0.08 0.00 -2.93 0.00 0.00 61.98 59.21 1sfq s VAL 157 Cb -0.11 -0.10 0.03 0.00 -1.53 0.00 0.00 36.38 34.67 1sfq s VAL 157 CO 0.26 0.01 0.25 0.54 -3.33 0.00 0.00 175.10 172.83 1sfq s VAL 158 N -0.08 -0.01 -0.18 2.04 0.11 -0.59 -1.04 120.40 120.65 1sfq s VAL 158 Ca -0.00 0.02 -0.10 0.00 -2.93 0.00 0.00 61.98 58.97 1sfq s VAL 158 Cb -0.01 -0.36 -0.05 0.00 -1.53 0.00 0.00 36.38 34.43 1sfq s VAL 158 CO -0.00 0.01 0.14 0.20 -3.33 0.00 0.00 175.10 172.12 1sfq s ASN 159 N 0.32 6.25 0.02 3.54 0.01 -1.26 -0.79 114.94 123.04 1sfq s ASN 159 Ca -0.02 0.29 0.02 0.00 -0.71 0.00 0.00 52.86 52.44 1sfq s ASN 159 Cb -0.03 -2.09 -0.01 0.00 0.41 0.00 0.00 41.25 39.52 1sfq s ASN 159 CO -0.01 0.21 -0.06 -0.76 -1.51 0.00 0.00 177.10 174.97 1sfq s LEU 160 N 0.14 2.15 0.17 0.60 1.43 -0.10 -4.95 118.68 118.11 1sfq s LEU 160 Ca 0.10 -0.34 -0.22 0.00 -1.03 0.00 0.00 54.13 52.64 1sfq s LEU 160 Cb -0.11 -0.16 -0.08 0.00 0.03 0.00 0.00 46.19 45.87 1sfq s LEU 160 CO -0.01 -0.10 0.71 -2.16 0.23 0.00 0.00 176.35 175.03 1sfq s PRO 161 N -0.93 4.37 0.30 1.29 0.04 -1.26 -0.66 135.00 138.16 1sfq s PRO 161 Ca -0.06 0.96 -0.29 0.00 0.04 0.00 0.00 61.00 61.65 1sfq s PRO 161 Cb -0.06 -3.11 -0.10 0.00 0.04 0.00 0.00 34.50 31.27 1sfq s PRO 161 CO 0.00 0.52 1.25 0.42 0.04 0.00 0.00 177.00 179.23 1sfq s ILE 162 N -1.28 2.99 0.00 0.56 1.01 0.05 -1.12 121.20 123.41 1sfq s ILE 162 Ca 0.37 0.97 0.00 0.00 0.00 0.00 0.00 60.65 61.99 1sfq s ILE 162 Cb -0.20 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 1sfq s ILE 162 CO 0.23 0.22 0.07 -0.69 0.00 0.00 0.00 174.94 174.76 1sfq s VAL 163 N -0.97 4.61 0.28 2.92 1.01 -0.24 -0.33 120.40 127.67 1sfq s VAL 163 Ca 0.49 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 1sfq s VAL 163 Cb -0.37 -3.10 -0.13 0.00 0.00 0.00 0.00 36.38 32.77 1sfq s VAL 163 CO 0.48 0.34 1.32 -0.62 0.00 0.00 0.00 175.10 176.62 1sfq n GLU 164 N 1.18 1.99 -0.27 2.72 4.71 -1.26 -4.62 120.64 125.09 1sfq n GLU 164 Ca -0.13 0.70 0.04 0.00 -0.01 0.00 0.00 57.16 57.76 1sfq n GLU 164 Cb 0.53 -2.30 0.18 0.00 -1.01 0.00 0.00 31.44 28.83 1sfq n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1sfq h ARG 165 N 3.37 0.61 -0.67 3.49 2.43 -1.97 -1.37 114.38 120.28 1sfq h ARG 165 Ca -0.45 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 58.70 1sfq h ARG 165 Cb 1.29 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 1sfq h ARG 165 CO 0.69 0.40 0.44 -1.35 -1.51 0.00 0.00 179.97 178.65 1sfq h PRO 166 N 0.63 0.84 -0.45 0.20 0.11 -1.99 0.14 132.00 131.48 1sfq h PRO 166 Ca 0.41 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.32 1sfq h PRO 166 Cb 0.50 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1sfq h PRO 166 CO -0.31 0.56 -0.28 0.28 -0.21 0.00 0.00 178.00 178.03 1sfq h VAL 167 N 0.87 1.27 -0.08 3.15 2.07 -1.65 -0.64 116.25 121.24 1sfq h VAL 167 Ca 0.25 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 1sfq h VAL 167 Cb -0.05 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1sfq h VAL 167 CO -0.06 0.50 0.05 0.00 0.02 0.00 0.00 177.57 178.07 1sfq h LYS 169 N 0.07 0.43 0.00 0.00 3.64 -0.56 -2.51 116.57 117.64 1sfq h LYS 169 Ca 0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1sfq h LYS 169 Cb 0.04 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1sfq h LYS 169 CO -0.01 0.28 0.00 -0.25 -2.27 0.00 0.00 179.45 177.21 1sfq n ASP 170 N -4.91 0.00 -0.07 4.20 8.00 -0.27 -3.17 116.55 120.33 1sfq n ASP 170 Ca 0.03 0.44 0.14 0.00 0.71 0.00 0.00 54.79 56.11 1sfq n ASP 170 Cb 0.12 -0.48 0.58 0.00 -0.02 0.00 0.00 41.12 41.32 1sfq n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1sfq n SER 171 N -1.48 0.35 -3.74 -2.24 3.41 -0.75 -4.90 113.62 104.27 1sfq n SER 171 Ca 0.06 -0.30 -0.11 0.00 -0.26 0.00 0.00 58.87 58.26 1sfq n SER 171 Cb 0.27 -0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 64.03 1sfq n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1sfq s THR 172 N -2.64 0.08 -1.83 6.66 -1.32 -1.19 -4.79 115.64 110.60 1sfq s THR 172 Ca 0.24 -0.69 0.25 0.00 -1.21 0.00 0.00 61.69 60.28 1sfq s THR 172 Cb 0.20 -1.02 0.17 0.00 -1.51 0.00 0.00 72.50 70.34 1sfq s THR 172 CO 0.51 -0.38 1.40 0.54 -2.21 0.00 0.00 174.62 174.49 1sfq n ARG 173 N 0.39 0.94 -2.67 7.08 1.74 -1.26 -4.86 116.66 118.02 1sfq n ARG 173 Ca -0.18 -0.65 -0.41 0.00 -0.77 0.00 0.00 57.85 55.85 1sfq n ARG 173 Cb 0.60 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.51 1sfq n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1sfq s ILE 174 N -2.50 4.22 -0.10 0.55 1.01 -1.26 -4.97 121.20 118.14 1sfq s ILE 174 Ca 0.22 1.95 -0.29 0.00 0.00 0.00 0.00 60.65 62.53 1sfq s ILE 174 Cb 0.19 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1sfq s ILE 174 CO 0.54 0.35 1.56 -0.60 0.00 0.00 0.00 174.94 176.80 1sfq s ARG 175 N -0.41 4.14 0.22 2.79 3.52 -1.26 -5.01 118.95 122.94 1sfq s ARG 175 Ca 0.46 2.00 -0.02 0.00 -0.13 0.00 0.00 55.73 58.04 1sfq s ARG 175 Cb -0.26 -3.94 -0.05 0.00 -1.56 0.00 0.00 34.95 29.14 1sfq s ARG 175 CO 0.32 -0.88 0.44 0.96 -0.81 0.00 0.00 175.30 175.33 1sfq s ILE 176 N 4.08 5.15 0.44 4.11 -4.36 -1.26 -4.87 121.20 124.49 1sfq s ILE 176 Ca 0.69 -0.20 0.03 0.00 -0.26 0.00 0.00 60.65 60.91 1sfq s ILE 176 Cb -0.30 -3.72 -0.03 0.00 1.25 0.00 0.00 42.46 39.67 1sfq s ILE 176 CO 0.26 -0.19 0.06 0.42 0.24 0.00 0.00 174.94 175.73 1sfq s THR 177 N -1.91 1.02 -1.08 8.37 -4.23 -1.26 -5.01 115.64 111.54 1sfq s THR 177 Ca 0.40 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.09 1sfq s THR 177 Cb -0.11 -2.37 0.18 0.00 1.34 0.00 0.00 72.50 71.54 1sfq s THR 177 CO 0.29 0.00 1.57 0.47 -0.54 0.00 0.00 174.62 176.41 1sfq n ASP 178 N -1.20 0.00 -1.15 3.99 8.00 -1.26 -2.30 116.55 122.63 1sfq n ASP 178 Ca -0.11 0.41 0.07 0.00 0.71 0.00 0.00 54.79 55.86 1sfq n ASP 178 Cb 0.66 -0.46 0.25 0.00 -0.02 0.00 0.00 41.12 41.55 1sfq n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1sfq n ASN 179 N -1.46 3.34 -4.12 -2.24 3.02 -1.26 -4.89 115.26 107.65 1sfq n ASN 179 Ca 0.05 -2.26 -0.11 0.00 -0.03 0.00 0.00 54.58 52.24 1sfq n ASN 179 Cb 0.20 -0.46 -0.10 0.00 -0.61 0.00 0.00 39.78 38.81 1sfq n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1sfq s MET 180 N -1.67 0.70 0.05 3.52 -1.94 -0.97 -0.73 119.30 118.26 1sfq s MET 180 Ca 0.35 -1.13 -0.02 0.00 -1.71 0.00 0.00 55.69 53.18 1sfq s MET 180 Cb 0.22 -0.15 -0.03 0.00 2.01 0.00 0.00 34.83 36.88 1sfq s MET 180 CO 0.18 -0.02 0.01 -0.59 -0.01 0.00 0.00 175.02 174.60 1sfq s PHE 181 N -2.98 0.43 0.20 -0.03 -0.12 -0.53 -4.81 117.98 110.15 1sfq s PHE 181 Ca 0.04 -0.93 0.09 0.00 -0.05 0.00 0.00 56.93 56.08 1sfq s PHE 181 Cb 0.01 -0.31 -0.05 0.00 -0.63 0.00 0.00 43.02 42.04 1sfq s PHE 181 CO -0.04 -0.40 -0.18 0.00 -0.05 0.00 0.00 175.22 174.55 1sfq s ALA 183 N -2.42 -0.67 0.00 0.00 0.00 -0.67 -1.08 121.76 116.92 1sfq s ALA 183 Ca 0.21 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1sfq s ALA 183 Cb -0.04 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.32 1sfq s ALA 183 CO 0.09 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1sfq n GLY 184 N 0.82 3.80 3.85 0.00 0.00 -0.27 -1.98 105.19 111.41 1sfq n GLY 184 Ca -0.20 -1.27 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 1sfq n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sfq s TYR 184 N -2.00 3.46 0.48 1.61 2.02 -1.26 -4.52 117.35 117.14 1sfq s TYR 184 Ca 0.00 1.41 -0.05 0.00 -0.37 0.00 0.00 57.07 58.06 1sfq s TYR 184 Cb 0.00 -2.75 -0.04 0.00 -0.40 0.00 0.00 41.96 38.78 1sfq s TYR 184 CO 0.00 -0.34 0.79 0.15 -1.57 0.00 0.00 175.55 174.58 1sfq s LYS 185 N -4.06 3.53 0.21 -0.62 1.02 -1.26 -4.80 119.74 113.77 1sfq s LYS 185 Ca 0.58 0.20 -0.32 0.00 0.02 0.00 0.00 55.97 56.45 1sfq s LYS 185 Cb -0.10 -2.37 -0.14 0.00 -0.52 0.00 0.00 37.83 34.70 1sfq s LYS 185 CO 0.32 -0.22 1.30 -2.30 -0.92 0.00 0.00 175.35 173.53 1sfq n PRO 186 N -2.27 1.67 -1.35 -1.68 -0.02 -1.26 -2.24 135.00 127.84 1sfq n PRO 186 Ca 0.01 0.59 -0.12 0.00 -2.02 0.00 0.00 63.50 61.96 1sfq n PRO 186 Cb 0.55 -2.18 -0.05 0.00 -0.02 0.00 0.00 33.50 31.80 1sfq n PRO 186 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1sfq n ASP 186 N 2.07 -4.65 -0.05 2.55 8.00 -1.26 -4.89 116.55 118.32 1sfq n ASP 186 Ca 0.13 0.30 0.15 0.00 0.71 0.00 0.00 54.79 56.08 1sfq n ASP 186 Cb 0.29 -3.23 0.80 0.00 -0.02 0.00 0.00 41.12 38.96 1sfq n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1sfq n GLU 186 N -2.39 0.81 -0.02 -1.24 1.02 -0.95 -4.90 120.64 112.97 1sfq n GLU 186 Ca -0.12 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 1sfq n GLU 186 Cb 0.43 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1sfq n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sfq n GLY 186 N 1.15 0.66 3.09 0.62 0.00 -1.26 -5.03 105.19 104.41 1sfq n GLY 186 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 1sfq n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sfq s LYS 186 N -0.78 0.60 0.00 1.61 1.02 -1.26 -5.17 119.74 115.75 1sfq s LYS 186 Ca 0.00 -1.17 0.00 0.00 0.02 0.00 0.00 55.97 54.82 1sfq s LYS 186 Cb 0.00 0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.49 1sfq s LYS 186 CO 0.00 -0.10 0.00 0.54 -0.92 0.00 0.00 175.35 174.87 1sfq n ARG 187 N 0.23 0.52 0.00 1.68 1.74 -1.26 -4.76 116.66 114.82 1sfq n ARG 187 Ca -0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 1sfq n ARG 187 Cb 0.60 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.04 1sfq n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sfq n GLY 188 N 0.91 3.91 3.60 -0.13 0.00 -1.26 -4.88 105.19 107.34 1sfq n GLY 188 Ca 0.00 -1.56 -0.03 0.00 0.00 0.00 0.00 46.02 44.42 1sfq n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sfq s ASP 189 N 0.00 -0.16 0.87 1.61 2.15 -0.90 -4.62 116.67 115.61 1sfq s ASP 189 Ca 0.00 -0.09 -0.11 0.00 0.43 0.00 0.00 52.55 52.78 1sfq s ASP 189 Cb 0.00 0.24 0.16 0.00 -0.30 0.00 0.00 42.92 43.02 1sfq s ASP 189 CO 0.00 -0.41 1.21 0.00 -0.17 0.00 0.00 175.17 175.80 1sfq s ALA 190 N -2.66 2.70 0.39 3.66 0.00 -1.26 -0.34 121.76 124.25 1sfq s ALA 190 Ca 0.10 -1.25 -0.13 0.00 0.00 0.00 0.00 51.96 50.69 1sfq s ALA 190 Cb 0.01 -2.60 0.05 0.00 0.00 0.00 0.00 23.12 20.58 1sfq s ALA 190 CO -0.04 -2.04 0.74 0.00 0.00 0.00 0.00 175.76 174.42 1sfq n GLU 192 N -0.55 1.91 0.00 0.00 4.71 -1.26 -1.20 120.64 124.25 1sfq n GLU 192 Ca -0.07 0.67 0.00 0.00 -0.01 0.00 0.00 57.16 57.75 1sfq n GLU 192 Cb 0.60 -2.19 0.00 0.00 -1.01 0.00 0.00 31.44 28.84 1sfq n GLU 192 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1sfq n GLY 193 N 0.91 3.34 0.01 0.62 0.00 -1.26 -1.55 105.19 107.26 1sfq n GLY 193 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 1sfq n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sfq n ASP 194 N 0.02 0.41 -4.54 1.61 8.00 -0.34 -3.86 116.55 117.84 1sfq n ASP 194 Ca 0.00 0.04 -0.43 0.00 0.71 0.00 0.00 54.79 55.11 1sfq n ASP 194 Cb 0.00 -0.01 -0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1sfq n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1sfq n SER 195 N -1.62 0.48 0.00 -2.24 7.64 -1.26 -1.56 113.62 115.05 1sfq n SER 195 Ca 0.06 1.07 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1sfq n SER 195 Cb 0.36 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1sfq n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sfq n GLY 196 N 1.43 3.21 3.77 0.23 0.00 -0.78 0.16 105.19 113.22 1sfq n GLY 196 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1sfq n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sfq s GLY 197 N -2.19 2.05 0.26 -0.02 0.00 -0.60 -2.64 107.32 104.18 1sfq s GLY 197 Ca 0.00 0.47 -0.15 0.00 0.00 0.00 0.00 44.72 45.04 1sfq s GLY 197 CO 0.00 0.82 0.68 2.56 0.00 0.00 0.00 173.10 177.15 1sfq s PRO 198 N -4.27 4.03 -0.32 2.90 0.04 -1.26 -0.96 135.00 135.17 1sfq s PRO 198 Ca 0.65 0.63 -0.06 0.00 0.04 0.00 0.00 61.00 62.26 1sfq s PRO 198 Cb -0.19 -2.64 0.03 0.00 0.04 0.00 0.00 34.50 31.73 1sfq s PRO 198 CO 0.44 0.28 0.08 0.12 0.04 0.00 0.00 177.00 177.97 1sfq s PHE 199 N -1.78 3.21 0.24 0.56 2.19 -0.36 -3.53 117.98 118.51 1sfq s PHE 199 Ca 0.48 -1.30 0.10 0.00 0.33 0.00 0.00 56.93 56.54 1sfq s PHE 199 Cb -0.13 -2.25 -0.04 0.00 -1.31 0.00 0.00 43.02 39.29 1sfq s PHE 199 CO 0.19 -0.68 -0.08 0.14 1.83 0.00 0.00 175.22 176.62 1sfq s VAL 200 N 1.42 3.12 0.01 3.12 -7.23 0.04 -1.10 120.40 119.79 1sfq s VAL 200 Ca -0.00 -1.94 0.01 0.00 -1.81 0.00 0.00 61.98 58.23 1sfq s VAL 200 Cb -0.19 -2.62 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 1sfq s VAL 200 CO 0.02 -0.29 -0.03 -0.04 -0.31 0.00 0.00 175.10 174.45 1sfq s MET 201 N -3.34 0.28 -0.22 4.82 -1.94 -0.32 -0.33 119.30 118.25 1sfq s MET 201 Ca 0.29 -0.40 -0.11 0.00 -1.71 0.00 0.00 55.69 53.76 1sfq s MET 201 Cb -0.07 -0.08 -0.05 0.00 2.01 0.00 0.00 34.83 36.64 1sfq s MET 201 CO 0.17 0.01 0.20 0.21 -0.01 0.00 0.00 175.02 175.60 1sfq s LYS 202 N -0.85 4.12 0.18 2.03 2.20 -1.26 -0.65 119.74 125.50 1sfq s LYS 202 Ca -0.07 -0.17 -0.30 0.00 -0.36 0.00 0.00 55.97 55.06 1sfq s LYS 202 Cb -0.06 -3.51 -0.09 0.00 -1.51 0.00 0.00 37.83 32.67 1sfq s LYS 202 CO -0.00 0.10 1.35 0.45 -0.36 0.00 0.00 175.35 176.89 1sfq s SER 203 N 0.89 6.85 0.00 1.43 0.15 0.52 -4.89 113.70 118.65 1sfq s SER 203 Ca 0.10 2.40 0.30 0.00 0.70 0.00 0.00 55.95 59.45 1sfq s SER 203 Cb -0.13 -2.60 1.57 0.00 -1.71 0.00 0.00 66.02 63.15 1sfq s SER 203 CO 0.04 -0.58 2.07 -0.81 1.20 0.00 0.00 173.24 175.16 1sfq n PRO 204 N 3.01 0.54 -0.10 5.44 -0.04 -1.26 -2.59 135.00 139.99 1sfq n PRO 204 Ca 0.08 -0.01 -0.12 0.00 -0.04 0.00 0.00 63.50 63.41 1sfq n PRO 204 Cb 0.42 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.23 1sfq n PRO 204 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1sfq n PHE 204 N -1.22 0.08 -0.52 0.54 3.72 -1.26 -4.74 117.46 114.06 1sfq n PHE 204 Ca 0.16 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 1sfq n PHE 204 Cb 0.22 -1.01 0.00 0.00 -0.94 0.00 0.00 39.48 37.75 1sfq n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1sfq n ASN 204 N -2.89 0.85 -0.20 4.37 2.04 -1.25 -5.02 115.26 113.16 1sfq n ASN 204 Ca -0.35 -1.37 -0.03 0.00 -0.44 0.00 0.00 54.58 52.40 1sfq n ASN 204 Cb 1.11 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 38.35 1sfq n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1sfq n ASN 205 N -0.18 -4.69 -4.93 0.53 5.15 -1.07 -5.00 115.26 105.08 1sfq n ASN 205 Ca 0.00 0.06 -0.28 0.00 -0.60 0.00 0.00 54.58 53.76 1sfq n ASN 205 Cb 0.32 -2.41 -0.03 0.00 -0.53 0.00 0.00 39.78 37.12 1sfq n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1sfq s ARG 206 N -1.56 3.49 -0.13 1.20 0.52 -1.26 -4.83 118.95 116.38 1sfq s ARG 206 Ca 0.00 -0.41 -0.13 0.00 -0.52 0.00 0.00 55.73 54.67 1sfq s ARG 206 Cb 0.00 -2.92 -0.05 0.00 0.52 0.00 0.00 34.95 32.50 1sfq s ARG 206 CO 0.00 0.49 0.29 -1.58 0.02 0.00 0.00 175.30 174.52 1sfq s TRP 207 N -1.73 3.51 -0.06 -0.53 0.52 -1.26 -0.35 118.94 119.04 1sfq s TRP 207 Ca 0.37 0.64 0.06 0.00 0.02 0.00 0.00 56.10 57.19 1sfq s TRP 207 Cb -0.12 -2.29 -0.01 0.00 -1.15 0.00 0.00 33.47 29.90 1sfq s TRP 207 CO 0.28 0.35 -0.23 0.71 0.02 0.00 0.00 176.95 178.07 1sfq s TYR 208 N 0.10 2.48 -0.57 -1.98 2.02 0.17 -2.18 117.35 117.39 1sfq s TYR 208 Ca 0.17 -0.63 -0.23 0.00 -0.37 0.00 0.00 57.07 56.01 1sfq s TYR 208 Cb -0.13 -1.61 0.05 0.00 -0.40 0.00 0.00 41.96 39.87 1sfq s TYR 208 CO 0.05 -0.16 0.88 -1.14 -1.57 0.00 0.00 175.55 173.62 1sfq s GLN 209 N -0.23 3.24 0.14 -0.62 0.74 -0.12 -1.17 119.66 121.63 1sfq s GLN 209 Ca -0.01 -0.52 0.15 0.00 0.05 0.00 0.00 55.36 55.03 1sfq s GLN 209 Cb -0.13 -4.10 -0.08 0.00 1.10 0.00 0.00 33.01 29.80 1sfq s GLN 209 CO 0.03 -1.51 1.08 0.52 -0.55 0.00 0.00 175.29 174.86 1sfq h MET 210 N 9.31 0.00 -4.13 1.67 2.86 -1.45 -3.38 114.93 119.80 1sfq h MET 210 Ca -0.27 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.19 1sfq h MET 210 Cb 1.08 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.62 1sfq h MET 210 CO 1.09 0.44 -0.33 0.20 1.06 0.00 0.00 176.91 179.36 1sfq s GLY 211 N -4.68 1.11 -0.08 8.32 0.00 -0.84 -1.93 107.32 109.22 1sfq s GLY 211 Ca -0.00 -1.34 0.02 0.00 0.00 0.00 0.00 44.72 43.40 1sfq s GLY 211 CO 0.79 -1.01 -0.14 -0.42 0.00 0.00 0.00 173.10 172.31 1sfq s ILE 212 N -3.89 1.33 0.00 0.90 1.01 -0.86 -1.22 121.20 118.47 1sfq s ILE 212 Ca 0.31 -0.58 -0.34 0.00 0.00 0.00 0.00 60.65 60.04 1sfq s ILE 212 Cb 0.02 -1.20 -0.12 0.00 0.01 0.00 0.00 42.46 41.17 1sfq s ILE 212 CO 0.13 0.40 1.79 0.52 0.00 0.00 0.00 174.94 177.78 1sfq n VAL 213 N 3.88 0.40 0.02 2.92 0.31 -0.13 -0.70 118.33 125.02 1sfq n VAL 213 Ca -0.21 -0.07 -0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1sfq n VAL 213 Cb 0.52 -1.79 -0.00 0.00 -0.91 0.00 0.00 33.84 31.65 1sfq n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1sfq n SER 214 N 5.62 0.56 -3.54 4.52 2.88 -0.53 -1.86 113.62 121.28 1sfq n SER 214 Ca 0.21 0.07 -0.06 0.00 -1.33 0.00 0.00 58.87 57.75 1sfq n SER 214 Cb 0.30 -0.17 -0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1sfq n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1sfq s TRP 215 N -2.01 -0.07 0.00 0.66 1.48 -1.03 -4.94 118.94 113.03 1sfq s TRP 215 Ca -0.00 -0.41 0.00 0.00 -1.06 0.00 0.00 56.10 54.63 1sfq s TRP 215 Cb 0.00 0.73 0.00 0.00 -1.16 0.00 0.00 33.47 33.04 1sfq s TRP 215 CO 0.00 -1.21 0.00 0.41 -4.06 0.00 0.00 176.95 172.09 1sfq n GLY 216 N -0.50 1.20 2.61 3.67 0.00 -1.26 -0.60 105.19 110.31 1sfq n GLY 216 Ca -0.05 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 1sfq n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sfq s GLU 217 N -1.91 0.27 1.62 1.61 2.02 -1.26 -5.05 118.70 116.00 1sfq s GLU 217 Ca 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.57 1sfq s GLU 217 Cb 0.00 -1.62 0.00 0.00 0.10 0.00 0.00 34.13 32.61 1sfq s GLU 217 CO 0.00 -0.84 0.00 0.41 0.02 0.00 0.00 175.26 174.85 1sfq n GLY 219 N 5.19 -1.46 2.98 -1.39 0.00 -1.26 -4.80 105.19 104.45 1sfq n GLY 219 Ca -0.06 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 1sfq n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfq n ASP 221 N 3.79 -5.63 -4.81 0.00 2.03 -1.26 -4.58 116.55 106.08 1sfq n ASP 221 Ca -0.21 -0.22 -0.37 0.00 0.52 0.00 0.00 54.79 54.52 1sfq n ASP 221 Cb 0.54 -4.59 -0.06 0.00 -0.72 0.00 0.00 41.12 36.29 1sfq n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1sfq s ARG 221 N -5.57 4.24 0.24 -0.67 0.52 -1.26 -4.91 118.95 111.54 1sfq s ARG 221 Ca 0.24 0.84 -0.31 0.00 -0.52 0.00 0.00 55.73 55.98 1sfq s ARG 221 Cb -0.11 -2.95 -0.11 0.00 0.52 0.00 0.00 34.95 32.30 1sfq s ARG 221 CO 0.29 0.44 1.60 -0.51 0.02 0.00 0.00 175.30 177.14 1sfq s ASP 222 N -1.57 6.45 0.00 0.23 1.11 -1.26 -2.23 116.67 119.40 1sfq s ASP 222 Ca 0.41 2.83 0.00 0.00 0.18 0.00 0.00 52.55 55.97 1sfq s ASP 222 Cb -0.17 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.20 1sfq s ASP 222 CO 0.21 -0.88 0.00 0.61 1.18 0.00 0.00 175.17 176.29 1sfq n GLY 223 N 2.90 1.28 3.61 0.21 0.00 -1.26 -5.02 105.19 106.91 1sfq n GLY 223 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1sfq n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sfq s LYS 224 N -0.31 2.21 0.02 1.61 -0.14 -0.95 -4.75 119.74 117.44 1sfq s LYS 224 Ca 0.00 -1.26 0.01 0.00 -1.36 0.00 0.00 55.97 53.36 1sfq s LYS 224 Cb 0.00 -2.21 -0.02 0.00 -1.68 0.00 0.00 37.83 33.92 1sfq s LYS 224 CO 0.00 0.42 -0.05 0.71 -0.76 0.00 0.00 175.35 175.68 1sfq s TYR 225 N -1.86 0.40 0.39 3.18 2.02 -1.26 -4.70 117.35 115.52 1sfq s TYR 225 Ca 0.27 -0.42 -0.24 0.00 -0.37 0.00 0.00 57.07 56.31 1sfq s TYR 225 Cb -0.08 -0.26 -0.09 0.00 -0.40 0.00 0.00 41.96 41.13 1sfq s TYR 225 CO 0.17 -0.11 1.03 0.20 -1.57 0.00 0.00 175.55 175.27 1sfq s GLY 226 N -1.22 2.72 0.02 0.71 0.00 -0.84 -4.76 107.32 103.96 1sfq s GLY 226 Ca -0.10 0.66 0.03 0.00 0.00 0.00 0.00 44.72 45.31 1sfq s GLY 226 CO -0.00 1.09 -0.02 -1.36 0.00 0.00 0.00 173.10 172.80 1sfq s PHE 227 N -1.68 3.00 0.01 1.90 0.40 0.23 -1.68 117.98 120.17 1sfq s PHE 227 Ca 0.57 0.02 0.03 0.00 -0.60 0.00 0.00 56.93 56.95 1sfq s PHE 227 Cb -0.21 -1.62 -0.01 0.00 0.51 0.00 0.00 43.02 41.69 1sfq s PHE 227 CO 0.26 0.44 -0.08 0.71 0.70 0.00 0.00 175.22 177.25 1sfq s TYR 228 N -1.10 0.71 0.15 0.36 1.51 -0.14 -1.45 117.35 117.39 1sfq s TYR 228 Ca 0.20 -0.24 -0.31 0.00 -1.01 0.00 0.00 57.07 55.71 1sfq s TYR 228 Cb -0.11 -0.44 -0.08 0.00 -0.11 0.00 0.00 41.96 41.21 1sfq s TYR 228 CO 0.11 -0.02 1.38 0.99 -1.11 0.00 0.00 175.55 176.90 1sfq s THR 229 N -0.53 3.21 -0.79 -0.71 2.01 0.12 -1.45 115.64 117.50 1sfq s THR 229 Ca -0.00 0.90 -0.26 0.00 0.31 0.00 0.00 61.69 62.64 1sfq s THR 229 Cb -0.05 -3.58 0.03 0.00 0.01 0.00 0.00 72.50 68.91 1sfq s THR 229 CO 0.00 0.09 1.33 -2.28 -0.69 0.00 0.00 174.62 173.07 1sfq s HIS 230 N 0.80 2.31 0.19 4.92 2.46 0.10 -2.03 115.29 124.04 1sfq s HIS 230 Ca 0.63 -0.18 -0.12 0.00 0.47 0.00 0.00 55.06 55.86 1sfq s HIS 230 Cb -0.37 -4.63 0.17 0.00 -0.13 0.00 0.00 32.58 27.61 1sfq s HIS 230 CO 0.33 -2.06 1.81 0.28 -2.47 0.00 0.00 174.74 172.63 1sfq h VAL 231 N 6.20 1.00 -0.53 0.89 2.07 -1.69 -2.76 116.25 121.42 1sfq h VAL 231 Ca -0.19 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 1sfq h VAL 231 Cb 1.04 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1sfq h VAL 231 CO 1.31 0.11 0.12 0.15 0.02 0.00 0.00 177.57 179.28 1sfq h PHE 232 N 0.62 0.83 -0.24 1.57 3.57 -1.87 -1.42 116.94 120.00 1sfq h PHE 232 Ca 0.25 -0.08 0.07 0.00 3.53 0.00 0.00 57.97 61.75 1sfq h PHE 232 Cb 0.11 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1sfq h PHE 232 CO -0.08 0.70 0.19 0.00 -2.23 0.00 0.00 178.31 176.90 1sfq h ARG 233 N 0.78 0.00 -0.48 1.11 2.47 -1.86 -1.94 114.38 114.46 1sfq h ARG 233 Ca 0.17 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 1sfq h ARG 233 Cb 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1sfq h ARG 233 CO -0.00 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.81 1sfq n LEU 234 N -4.25 3.50 -0.36 3.04 4.77 -0.60 -4.66 117.00 118.43 1sfq n LEU 234 Ca 0.03 -2.14 0.00 0.00 -0.03 0.00 0.00 56.01 53.88 1sfq n LEU 234 Cb 0.34 -0.37 0.14 0.00 -2.33 0.00 0.00 43.42 41.21 1sfq n LEU 234 CO 0.33 0.81 1.26 0.50 -1.33 0.00 0.00 177.39 178.96 1sfq h LYS 235 N 2.84 1.16 -0.78 3.23 3.11 -0.62 -2.09 116.57 123.42 1sfq h LYS 235 Ca 0.00 -0.07 0.02 0.00 -2.81 0.00 0.00 60.65 57.79 1sfq h LYS 235 Cb 0.94 -0.26 -0.04 0.00 -1.00 0.00 0.00 32.23 31.87 1sfq h LYS 235 CO 0.05 0.77 0.50 0.87 -2.81 0.00 0.00 179.45 178.83 1sfq h LYS 236 N 1.20 0.97 -0.40 1.90 1.79 -1.83 0.77 116.57 120.97 1sfq h LYS 236 Ca 0.40 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.73 1sfq h LYS 236 Cb 0.05 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.47 1sfq h LYS 236 CO -0.14 0.64 -0.06 2.35 -1.08 0.00 0.00 179.45 181.16 1sfq h TRP 237 N 1.00 0.83 -0.29 -1.35 7.01 -1.78 -1.33 115.95 120.04 1sfq h TRP 237 Ca 0.30 -0.17 0.04 0.00 2.11 0.00 0.00 58.89 61.17 1sfq h TRP 237 Cb -0.03 -0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 26.79 1sfq h TRP 237 CO -0.03 0.86 0.07 0.82 -2.79 0.00 0.00 178.44 177.38 1sfq h ILE 238 N 0.57 0.88 -0.73 2.65 2.04 -0.73 -1.61 117.51 120.58 1sfq h ILE 238 Ca 0.11 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.91 1sfq h ILE 238 Cb 0.57 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 1sfq h ILE 238 CO 0.03 0.03 0.49 1.56 0.00 0.00 0.00 178.15 180.26 1sfq h GLN 239 N 0.19 0.96 -0.24 2.37 4.20 -0.76 -1.55 115.11 120.27 1sfq h GLN 239 Ca 0.13 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.80 1sfq h GLN 239 Cb 0.13 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 1sfq h GLN 239 CO -0.16 0.64 0.11 -0.22 -0.67 0.00 0.00 178.83 178.52 1sfq h LYS 240 N 0.99 0.23 0.07 1.46 3.64 -0.81 0.21 116.57 122.36 1sfq h LYS 240 Ca 0.27 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1sfq h LYS 240 Cb -0.11 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1sfq h LYS 240 CO -0.06 0.15 -0.03 0.28 -2.27 0.00 0.00 179.45 177.52 1sfq h VAL 241 N 0.23 1.02 -0.62 2.00 2.07 -1.03 0.43 116.25 120.36 1sfq h VAL 241 Ca 0.10 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1sfq h VAL 241 Cb 0.04 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1sfq h VAL 241 CO -0.08 0.07 0.26 0.40 0.02 0.00 0.00 177.57 178.23 1sfq h ILE 242 N -0.22 1.22 -0.10 4.57 2.04 -1.11 3.13 117.51 127.04 1sfq h ILE 242 Ca -0.01 -0.67 -0.15 0.00 1.00 0.00 0.00 64.86 65.04 1sfq h ILE 242 Cb 0.19 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1sfq h ILE 242 CO 0.02 0.27 -0.58 0.44 0.00 0.00 0.00 178.15 178.29 1sfq h ASP 243 N 0.89 0.35 0.06 1.72 3.32 -0.39 -3.34 116.42 119.02 1sfq h ASP 243 Ca 0.21 -0.19 -0.38 0.00 0.02 0.00 0.00 57.03 56.69 1sfq h ASP 243 Cb 0.16 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 1sfq h ASP 243 CO -0.02 0.85 -2.22 1.67 -1.72 0.00 0.00 179.24 177.81 1sfq n GLN 244 N -3.90 0.70 -0.86 3.56 7.27 0.13 -5.09 117.38 119.19 1sfq n GLN 244 Ca -0.03 0.22 0.00 0.00 0.07 0.00 0.00 57.00 57.26 1sfq n GLN 244 Cb 0.61 -1.61 0.00 0.00 2.41 0.00 0.00 30.24 31.64 1sfq n GLN 244 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32