#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uuj s VAL 17 N 0.00 5.24 -1.59 1.39 1.01 -0.02 -4.21 120.40 122.22 2uuj s VAL 17 Ca 0.00 0.68 -0.04 0.00 0.00 0.00 0.00 61.98 62.62 2uuj s VAL 17 Cb 0.00 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.70 2uuj s VAL 17 CO 0.00 0.41 0.53 -0.62 0.00 0.00 0.00 175.10 175.42 2uuj n GLU 18 N 3.28 -4.49 0.00 2.72 -0.58 -1.26 -2.15 120.64 118.16 2uuj n GLU 18 Ca -0.11 0.92 0.00 0.00 -0.42 0.00 0.00 57.16 57.55 2uuj n GLU 18 Cb 0.52 -5.76 0.00 0.00 -0.57 0.00 0.00 31.44 25.63 2uuj n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2uuj n GLY 19 N -1.46 1.91 3.32 0.62 0.00 -1.26 -4.59 105.19 103.73 2uuj n GLY 19 Ca -0.13 -1.93 -0.10 0.00 0.00 0.00 0.00 46.02 43.86 2uuj n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uuj s SER 20 N -1.00 0.07 0.27 1.61 1.04 -0.45 -4.93 113.70 110.32 2uuj s SER 20 Ca 0.00 -0.95 -0.30 0.00 0.48 0.00 0.00 55.95 55.18 2uuj s SER 20 Cb 0.00 0.42 -0.11 0.00 0.10 0.00 0.00 66.02 66.44 2uuj s SER 20 CO 0.00 -0.88 1.49 -1.81 0.98 0.00 0.00 173.24 173.02 2uuj s ASP 21 N -2.99 6.55 0.66 7.02 1.11 -1.26 -0.62 116.67 127.13 2uuj s ASP 21 Ca 0.20 2.78 -0.17 0.00 0.18 0.00 0.00 52.55 55.54 2uuj s ASP 21 Cb 0.04 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.40 2uuj s ASP 21 CO 0.01 -0.78 1.19 0.00 1.18 0.00 0.00 175.17 176.78 2uuj s ALA 22 N -0.07 2.36 0.53 5.23 0.00 0.73 -4.78 121.76 125.77 2uuj s ALA 22 Ca 0.60 0.88 -0.16 0.00 0.00 0.00 0.00 51.96 53.28 2uuj s ALA 22 Cb -0.44 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.18 2uuj s ALA 22 CO 0.46 -1.47 1.00 -1.21 0.00 0.00 0.00 175.76 174.54 2uuj s GLU 23 N -3.70 3.80 0.21 0.00 2.02 -1.26 -4.94 118.70 114.84 2uuj s GLU 23 Ca 0.74 1.00 -0.32 0.00 0.02 0.00 0.00 54.97 56.41 2uuj s GLU 23 Cb -0.28 -2.11 -0.13 0.00 0.10 0.00 0.00 34.13 31.71 2uuj s GLU 23 CO 0.39 -0.39 1.65 -0.89 0.02 0.00 0.00 175.26 176.04 2uuj n ILE 24 N -1.71 0.19 -1.12 -1.63 2.08 -1.26 -2.08 119.36 113.83 2uuj n ILE 24 Ca 0.07 -0.05 -0.04 0.00 0.56 0.00 0.00 62.75 63.29 2uuj n ILE 24 Cb 0.54 -1.82 -0.02 0.00 -0.75 0.00 0.00 39.64 37.59 2uuj n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2uuj n GLY 25 N 3.47 0.60 0.15 7.39 0.00 -1.26 -4.90 105.19 110.64 2uuj n GLY 25 Ca 0.15 -0.20 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 2uuj n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2uuj h MET 26 N 0.31 0.00 -2.05 1.61 -1.53 -1.79 -3.35 114.93 108.12 2uuj h MET 26 Ca -0.08 0.00 -0.56 0.00 -3.44 0.00 0.00 59.70 55.62 2uuj h MET 26 Cb 0.58 0.00 -0.40 0.00 -0.55 0.00 0.00 31.60 31.23 2uuj h MET 26 CO 0.12 0.56 -0.99 0.45 0.14 0.00 0.00 176.91 177.19 2uuj n SER 27 N -3.83 1.25 0.00 1.39 2.88 -1.26 -4.96 113.62 109.09 2uuj n SER 27 Ca -0.01 -2.95 0.09 0.00 -1.33 0.00 0.00 58.87 54.68 2uuj n SER 27 Cb 0.57 -0.64 0.49 0.00 -0.75 0.00 0.00 64.21 63.88 2uuj n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2uuj n PRO 28 N 1.05 0.30 0.00 -1.46 -0.04 -1.26 -1.01 135.00 132.58 2uuj n PRO 28 Ca 0.24 0.10 0.13 0.00 -0.04 0.00 0.00 63.50 63.92 2uuj n PRO 28 Cb 0.52 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.81 2uuj n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2uuj n TRP 29 N -1.26 0.00 -2.01 0.54 2.14 -1.02 -1.63 117.44 114.20 2uuj n TRP 29 Ca 0.09 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.25 2uuj n TRP 29 Cb 0.15 -0.10 -0.02 0.00 -0.81 0.00 0.00 31.31 30.53 2uuj n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2uuj s GLN 30 N -2.46 4.26 -0.02 -2.67 2.00 -0.18 -0.54 119.66 120.05 2uuj s GLN 30 Ca 0.24 2.30 0.05 0.00 -2.00 0.00 0.00 55.36 55.96 2uuj s GLN 30 Cb 0.19 -3.12 -0.01 0.00 0.80 0.00 0.00 33.01 30.87 2uuj s GLN 30 CO 0.51 -0.43 -0.17 0.08 -0.50 0.00 0.00 175.29 174.78 2uuj s VAL 31 N 0.10 1.37 -0.25 1.34 1.01 -0.28 -4.04 120.40 119.66 2uuj s VAL 31 Ca 0.60 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.75 2uuj s VAL 31 Cb -0.42 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 2uuj s VAL 31 CO 0.42 0.39 0.15 -0.32 0.00 0.00 0.00 175.10 175.74 2uuj s MET 32 N -0.33 3.99 -0.18 2.72 1.75 -0.01 -1.43 119.30 125.81 2uuj s MET 32 Ca 0.05 -0.31 -0.22 0.00 -1.25 0.00 0.00 55.69 53.96 2uuj s MET 32 Cb -0.07 -3.52 -0.02 0.00 2.84 0.00 0.00 34.83 34.05 2uuj s MET 32 CO -0.00 -0.00 0.70 -0.51 -0.65 0.00 0.00 175.02 174.56 2uuj s LEU 33 N 1.22 4.17 -0.10 4.11 1.43 0.08 -0.84 118.68 128.75 2uuj s LEU 33 Ca 0.07 0.97 0.03 0.00 -1.03 0.00 0.00 54.13 54.16 2uuj s LEU 33 Cb -0.14 -3.02 0.01 0.00 0.03 0.00 0.00 46.19 43.07 2uuj s LEU 33 CO 0.06 -0.30 -0.18 0.12 0.23 0.00 0.00 176.35 176.27 2uuj s PHE 34 N 1.92 2.17 0.12 0.29 5.36 -0.27 -0.13 117.98 127.44 2uuj s PHE 34 Ca 0.32 -0.96 -0.28 0.00 -0.96 0.00 0.00 56.93 55.05 2uuj s PHE 34 Cb -0.16 -1.51 -0.07 0.00 -0.34 0.00 0.00 43.02 40.94 2uuj s PHE 34 CO 0.11 -0.45 0.88 0.50 -1.46 0.00 0.00 175.22 174.80 2uuj s ARG 35 N 0.70 4.65 0.10 10.12 3.52 0.11 -0.75 118.95 137.40 2uuj s ARG 35 Ca -0.12 1.31 -0.16 0.00 -0.13 0.00 0.00 55.73 56.63 2uuj s ARG 35 Cb -0.16 -3.34 -0.07 0.00 -1.56 0.00 0.00 34.95 29.82 2uuj s ARG 35 CO 0.03 0.34 1.46 0.87 -0.81 0.00 0.00 175.30 177.18 2uuj h LYS 36 N 5.18 0.66 -2.39 5.12 1.57 -1.57 -3.15 116.57 121.99 2uuj h LYS 36 Ca -0.44 -0.30 -0.07 0.00 -1.87 0.00 0.00 60.65 57.97 2uuj h LYS 36 Cb 1.21 -0.01 -0.23 0.00 0.08 0.00 0.00 32.23 33.27 2uuj h LYS 36 CO 0.70 0.89 -0.11 -1.12 -0.57 0.00 0.00 179.45 179.24 2uuj s SER 37 N -6.38 -0.63 0.52 0.86 0.01 -1.26 -3.76 113.70 103.06 2uuj s SER 37 Ca -0.13 1.13 -0.20 0.00 1.31 0.00 0.00 55.95 58.06 2uuj s SER 37 Cb 0.09 1.08 -0.06 0.00 0.21 0.00 0.00 66.02 67.34 2uuj s SER 37 CO 0.81 -0.20 1.14 -2.84 0.41 0.00 0.00 173.24 172.56 2uuj s PRO 37 N 0.84 3.44 -0.17 12.44 0.02 -1.26 -5.06 135.00 145.24 2uuj s PRO 37 Ca -0.04 1.67 -0.29 0.00 0.02 0.00 0.00 61.00 62.36 2uuj s PRO 37 Cb -0.05 -2.11 -0.05 0.00 0.02 0.00 0.00 34.50 32.31 2uuj s PRO 37 CO -0.07 -0.79 1.99 -0.65 -0.33 0.00 0.00 177.00 177.16 2uuj s GLN 38 N -3.13 3.53 -0.01 5.54 -0.21 -1.25 -4.64 119.66 119.49 2uuj s GLN 38 Ca 0.71 2.03 -0.28 0.00 0.02 0.00 0.00 55.36 57.83 2uuj s GLN 38 Cb -0.26 -4.24 0.07 0.00 1.00 0.00 0.00 33.01 29.58 2uuj s GLN 38 CO 0.29 -1.64 0.63 -1.83 -2.12 0.00 0.00 175.29 170.62 2uuj s GLU 39 N 5.49 1.06 0.10 2.91 -1.05 -1.19 -4.97 118.70 121.05 2uuj s GLU 39 Ca 0.90 0.10 -0.31 0.00 -0.15 0.00 0.00 54.97 55.50 2uuj s GLU 39 Cb -0.33 0.50 -0.09 0.00 -0.44 0.00 0.00 34.13 33.77 2uuj s GLU 39 CO 0.35 -0.35 1.63 -1.17 0.95 0.00 0.00 175.26 176.67 2uuj s LEU 40 N -1.47 4.37 -0.22 1.83 2.96 -1.26 0.08 118.68 124.97 2uuj s LEU 40 Ca -0.09 2.53 0.05 0.00 -0.22 0.00 0.00 54.13 56.40 2uuj s LEU 40 Cb -0.00 -3.57 -0.20 0.00 0.50 0.00 0.00 46.19 42.91 2uuj s LEU 40 CO 0.06 -0.87 -0.06 0.18 -1.32 0.00 0.00 176.35 174.33 2uuj n LEU 41 N 5.14 2.15 0.00 -0.68 4.77 0.81 -4.84 117.00 124.36 2uuj n LEU 41 Ca 0.15 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2uuj n LEU 41 Cb 0.40 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2uuj n LEU 41 CO 0.62 0.81 0.00 0.00 -1.33 0.00 0.00 177.39 177.49 2uuj s GLY 43 N 0.00 1.94 0.19 0.00 0.00 0.64 -0.74 107.32 109.35 2uuj s GLY 43 Ca 0.00 -1.82 -0.22 0.00 0.00 0.00 0.00 44.72 42.68 2uuj s GLY 43 CO 0.00 -1.60 1.02 0.00 0.00 0.00 0.00 173.10 172.52 2uuj s ALA 44 N -2.48 -1.56 0.01 3.20 0.00 -0.52 -3.65 121.76 116.77 2uuj s ALA 44 Ca 0.55 -0.29 -0.03 0.00 0.00 0.00 0.00 51.96 52.18 2uuj s ALA 44 Cb -0.07 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 2uuj s ALA 44 CO 0.33 -1.06 0.05 -1.54 0.00 0.00 0.00 175.76 173.54 2uuj s SER 45 N -3.33 0.15 -0.28 0.00 1.04 0.13 -1.12 113.70 110.29 2uuj s SER 45 Ca 0.20 -0.39 -0.21 0.00 0.48 0.00 0.00 55.95 56.04 2uuj s SER 45 Cb -0.02 0.15 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 2uuj s SER 45 CO 0.05 -0.34 0.66 -0.22 0.98 0.00 0.00 173.24 174.36 2uuj s LEU 46 N -1.48 4.09 0.00 2.42 2.96 0.30 -0.45 118.68 126.52 2uuj s LEU 46 Ca -0.15 0.62 0.08 0.00 -0.22 0.00 0.00 54.13 54.47 2uuj s LEU 46 Cb -0.08 -2.88 -0.06 0.00 0.50 0.00 0.00 46.19 43.67 2uuj s LEU 46 CO -0.00 -0.44 0.41 2.30 -1.32 0.00 0.00 176.35 177.30 2uuj n ILE 47 N 5.30 0.00 -3.66 6.68 -5.35 -0.58 -1.49 119.36 120.27 2uuj n ILE 47 Ca 0.00 -0.35 -0.01 0.00 -0.27 0.00 0.00 62.75 62.12 2uuj n ILE 47 Cb 0.49 1.03 0.01 0.00 -1.74 0.00 0.00 39.64 39.43 2uuj n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2uuj n SER 48 N -0.89 -0.84 0.06 7.28 3.41 -1.19 -4.73 113.62 116.71 2uuj n SER 48 Ca 0.02 -1.44 0.10 0.00 -0.26 0.00 0.00 58.87 57.29 2uuj n SER 48 Cb 0.14 1.37 0.41 0.00 -0.26 0.00 0.00 64.21 65.87 2uuj n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2uuj n ASP 49 N -0.92 0.31 0.00 4.04 3.85 -1.26 -3.25 116.55 119.31 2uuj n ASP 49 Ca -0.01 0.57 0.00 0.00 -0.71 0.00 0.00 54.79 54.64 2uuj n ASP 49 Cb 0.28 -0.64 0.00 0.00 -1.35 0.00 0.00 41.12 39.42 2uuj n ASP 49 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2uuj n ARG 50 N -1.83 0.01 -4.93 0.11 1.74 -1.26 -1.01 116.66 109.50 2uuj n ARG 50 Ca 0.03 -0.46 -0.28 0.00 -0.77 0.00 0.00 57.85 56.38 2uuj n ARG 50 Cb 0.22 -0.76 -0.16 0.00 -1.02 0.00 0.00 32.46 30.74 2uuj n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2uuj s TRP 51 N -0.13 1.91 -0.05 -1.55 0.52 -1.20 -0.52 118.94 117.92 2uuj s TRP 51 Ca 0.00 -0.60 0.05 0.00 0.02 0.00 0.00 56.10 55.57 2uuj s TRP 51 Cb 0.00 -1.28 -0.01 0.00 -1.15 0.00 0.00 33.47 31.03 2uuj s TRP 51 CO 0.00 -0.22 -0.21 0.08 0.02 0.00 0.00 176.95 176.62 2uuj s VAL 52 N 0.11 1.77 -0.10 4.03 1.01 0.01 -1.52 120.40 125.70 2uuj s VAL 52 Ca -0.07 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 60.98 2uuj s VAL 52 Cb -0.13 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 2uuj s VAL 52 CO 0.03 0.50 0.02 -0.22 0.00 0.00 0.00 175.10 175.43 2uuj s LEU 53 N -0.10 3.64 0.00 3.92 2.96 0.40 -0.49 118.68 129.01 2uuj s LEU 53 Ca -0.03 0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 54.00 2uuj s LEU 53 Cb -0.12 -1.85 0.01 0.00 0.50 0.00 0.00 46.19 44.73 2uuj s LEU 53 CO 0.03 0.34 0.26 1.07 -1.32 0.00 0.00 176.35 176.73 2uuj n THR 54 N 2.38 0.00 -3.26 3.68 5.66 -0.12 -0.70 114.28 121.92 2uuj n THR 54 Ca -0.18 -0.75 -0.38 0.00 -3.05 0.00 0.00 64.05 59.69 2uuj n THR 54 Cb 0.53 0.50 -0.06 0.00 -1.55 0.00 0.00 70.33 69.75 2uuj n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2uuj s ALA 55 N -2.00 3.56 0.38 1.79 0.00 -1.26 -1.24 121.76 122.99 2uuj s ALA 55 Ca 0.12 0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.16 2uuj s ALA 55 Cb -0.01 -2.64 0.78 0.00 0.00 0.00 0.00 23.12 21.25 2uuj s ALA 55 CO 0.09 0.40 2.02 0.00 0.00 0.00 0.00 175.76 178.27 2uuj h ALA 56 N 4.15 1.67 0.00 0.00 0.00 -1.70 -2.26 119.26 121.13 2uuj h ALA 56 Ca -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2uuj h ALA 56 Cb 1.21 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2uuj h ALA 56 CO 0.64 0.28 0.00 -2.39 0.00 0.00 0.00 179.25 177.78 2uuj n HIS 57 N -4.46 0.53 0.26 0.00 1.44 -1.26 -0.67 115.22 111.06 2uuj n HIS 57 Ca 0.06 0.19 0.13 0.00 -2.01 0.00 0.00 57.72 56.09 2uuj n HIS 57 Cb 0.10 -0.81 0.69 0.00 0.12 0.00 0.00 29.99 30.09 2uuj n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2uuj n LEU 59 N -3.50 0.13 -3.61 0.00 4.77 -0.30 -4.89 117.00 109.60 2uuj n LEU 59 Ca -0.01 -0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.76 2uuj n LEU 59 Cb 0.28 0.19 -0.16 0.00 -2.33 0.00 0.00 43.42 41.39 2uuj n LEU 59 CO 0.30 0.23 -0.28 -0.22 -1.33 0.00 0.00 177.39 176.09 2uuj s LEU 60 N -4.67 0.09 0.20 2.23 2.96 0.16 -0.67 118.68 118.98 2uuj s LEU 60 Ca -0.05 -0.13 -0.20 0.00 -0.22 0.00 0.00 54.13 53.53 2uuj s LEU 60 Cb 0.03 0.06 0.04 0.00 0.50 0.00 0.00 46.19 46.82 2uuj s LEU 60 CO 0.35 -0.30 0.60 -0.47 -1.32 0.00 0.00 176.35 175.21 2uuj s TYR 60 N 2.23 -0.30 0.00 5.38 5.04 0.38 -4.18 117.35 125.90 2uuj s TYR 60 Ca 0.04 -0.02 0.00 0.00 -2.44 0.00 0.00 57.07 54.65 2uuj s TYR 60 Cb -0.14 0.53 0.00 0.00 0.35 0.00 0.00 41.96 42.70 2uuj s TYR 60 CO -0.08 -0.96 0.00 -2.30 -1.34 0.00 0.00 175.55 170.87 2uuj n PRO 60 N -0.38 0.00 -0.50 4.97 -0.02 -1.26 -2.05 135.00 135.76 2uuj n PRO 60 Ca -0.11 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.45 2uuj n PRO 60 Cb 0.63 0.00 0.29 0.00 -0.02 0.00 0.00 33.50 34.39 2uuj n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2uuj n TRP 60 N 0.00 1.16 -3.26 6.00 8.01 -1.26 -4.95 117.44 123.14 2uuj n TRP 60 Ca 0.00 -0.70 -0.23 0.00 -1.31 0.00 0.00 57.50 55.26 2uuj n TRP 60 Cb 0.00 -0.26 0.05 0.00 -2.01 0.00 0.00 31.31 29.09 2uuj n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 2uuj n ASP 60 N 0.35 -5.98 -4.45 -0.99 8.00 -1.14 -4.96 116.55 107.38 2uuj n ASP 60 Ca 0.22 -0.39 -0.36 0.00 0.71 0.00 0.00 54.79 54.96 2uuj n ASP 60 Cb 0.84 -4.80 -0.12 0.00 -0.02 0.00 0.00 41.12 37.01 2uuj n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2uuj s LYS 60 N -5.95 3.65 -0.45 -1.24 2.20 -0.87 -5.00 119.74 112.08 2uuj s LYS 60 Ca 0.41 -0.49 0.07 0.00 -0.36 0.00 0.00 55.97 55.61 2uuj s LYS 60 Cb -0.19 -3.26 0.18 0.00 -1.51 0.00 0.00 37.83 33.05 2uuj s LYS 60 CO 0.51 -0.14 0.68 1.21 -0.36 0.00 0.00 175.35 177.25 2uuj s ASN 60 N 1.45 -1.47 0.26 1.43 2.47 -1.24 -0.47 114.94 117.37 2uuj s ASN 60 Ca 0.05 -1.10 -0.14 0.00 0.42 0.00 0.00 52.86 52.09 2uuj s ASN 60 Cb -0.15 1.90 -0.08 0.00 -1.45 0.00 0.00 41.25 41.47 2uuj s ASN 60 CO 0.03 -0.12 0.65 -0.36 -3.72 0.00 0.00 177.10 173.58 2uuj s PHE 60 N 1.50 3.46 0.41 0.43 0.08 0.16 -5.02 117.98 118.99 2uuj s PHE 60 Ca 0.21 1.12 0.07 0.00 0.12 0.00 0.00 56.93 58.45 2uuj s PHE 60 Cb -0.02 -2.44 -0.06 0.00 -0.57 0.00 0.00 43.02 39.92 2uuj s PHE 60 CO -0.06 0.23 0.12 -0.08 -0.10 0.00 0.00 175.22 175.32 2uuj s THR 60 N -1.79 2.25 0.25 0.64 -1.32 -1.26 -4.93 115.64 109.47 2uuj s THR 60 Ca 0.48 -1.81 -0.03 0.00 -1.21 0.00 0.00 61.69 59.13 2uuj s THR 60 Cb -0.12 -2.98 0.23 0.00 -1.51 0.00 0.00 72.50 68.12 2uuj s THR 60 CO 0.19 -0.02 1.72 -0.33 -2.21 0.00 0.00 174.62 173.98 2uuj h GLU 61 N 1.56 0.42 -0.00 7.08 3.07 -1.94 -0.21 114.58 124.56 2uuj h GLU 61 Ca -0.43 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 2uuj h GLU 61 Cb 1.25 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 2uuj h GLU 61 CO 0.73 0.28 -0.00 0.09 -1.40 0.00 0.00 179.01 178.71 2uuj n ASN 62 N -5.01 0.08 0.07 1.42 3.02 -1.26 -3.06 115.26 110.51 2uuj n ASN 62 Ca 0.16 -1.02 0.13 0.00 -0.03 0.00 0.00 54.58 53.81 2uuj n ASN 62 Cb 0.45 -0.00 0.36 0.00 -0.61 0.00 0.00 39.78 39.98 2uuj n ASN 62 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2uuj n ASP 63 N -0.94 0.63 -4.20 6.41 8.00 -0.09 -4.89 116.55 121.46 2uuj n ASP 63 Ca 0.24 0.37 -0.12 0.00 0.71 0.00 0.00 54.79 55.98 2uuj n ASP 63 Cb 0.12 -0.39 -0.10 0.00 -0.02 0.00 0.00 41.12 40.73 2uuj n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2uuj s LEU 64 N -4.09 2.47 0.16 0.64 1.43 -1.17 -1.43 118.68 116.68 2uuj s LEU 64 Ca 0.10 -1.03 0.05 0.00 -1.03 0.00 0.00 54.13 52.22 2uuj s LEU 64 Cb 0.14 -0.15 -0.04 0.00 0.03 0.00 0.00 46.19 46.17 2uuj s LEU 64 CO 0.63 -0.44 -0.12 -0.76 0.23 0.00 0.00 176.35 175.89 2uuj s LEU 65 N -3.10 2.53 -0.04 1.79 1.43 0.07 -4.55 118.68 116.82 2uuj s LEU 65 Ca 0.15 -1.00 0.04 0.00 -1.03 0.00 0.00 54.13 52.28 2uuj s LEU 65 Cb 0.05 -0.45 -0.03 0.00 0.03 0.00 0.00 46.19 45.79 2uuj s LEU 65 CO -0.02 -0.28 -0.14 0.68 0.23 0.00 0.00 176.35 176.82 2uuj s VAL 66 N -3.16 3.10 -0.17 -1.59 -7.23 -0.27 -1.12 120.40 109.97 2uuj s VAL 66 Ca 0.18 -0.76 0.01 0.00 -1.81 0.00 0.00 61.98 59.60 2uuj s VAL 66 Cb 0.01 -2.23 0.02 0.00 0.56 0.00 0.00 36.38 34.73 2uuj s VAL 66 CO 0.02 0.55 -0.20 -0.13 -0.31 0.00 0.00 175.10 175.03 2uuj s ARG 67 N -0.85 2.97 -0.00 4.82 0.52 -0.02 -0.64 118.95 125.76 2uuj s ARG 67 Ca 0.12 -0.83 0.08 0.00 -0.52 0.00 0.00 55.73 54.58 2uuj s ARG 67 Cb -0.11 -2.52 -0.02 0.00 0.52 0.00 0.00 34.95 32.83 2uuj s ARG 67 CO 0.01 -0.16 -0.24 0.42 0.02 0.00 0.00 175.30 175.36 2uuj s ILE 68 N 1.17 1.91 0.00 1.52 1.01 0.29 -0.83 121.20 126.26 2uuj s ILE 68 Ca 0.02 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.56 2uuj s ILE 68 Cb -0.14 -1.60 0.00 0.00 0.01 0.00 0.00 42.46 40.73 2uuj s ILE 68 CO -0.10 0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.92 2uuj n GLY 69 N 2.29 0.70 3.90 6.18 0.00 -1.26 -0.17 105.19 116.83 2uuj n GLY 69 Ca -0.16 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 2uuj n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uuj s LYS 70 N -0.62 3.56 0.17 1.61 1.02 -1.26 -4.28 119.74 119.94 2uuj s LYS 70 Ca 0.00 0.28 0.00 0.00 0.02 0.00 0.00 55.97 56.27 2uuj s LYS 70 Cb 0.00 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 2uuj s LYS 70 CO 0.00 -0.24 0.00 1.58 -0.92 0.00 0.00 175.35 175.77 2uuj n HIS 71 N -2.28 -1.31 -1.84 3.18 -0.00 -1.26 -4.93 115.22 106.78 2uuj n HIS 71 Ca 0.01 0.23 -0.41 0.00 -0.00 0.00 0.00 57.72 57.55 2uuj n HIS 71 Cb 0.55 0.38 -0.01 0.00 -0.00 0.00 0.00 29.99 30.91 2uuj n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2uuj s SER 72 N -5.26 6.41 0.01 0.26 0.15 -1.26 -0.84 113.70 113.17 2uuj s SER 72 Ca 0.00 2.97 -0.25 0.00 0.70 0.00 0.00 55.95 59.37 2uuj s SER 72 Cb 0.00 -2.66 -0.19 0.00 -1.71 0.00 0.00 66.02 61.47 2uuj s SER 72 CO 0.00 -0.84 1.39 -0.09 1.20 0.00 0.00 173.24 174.90 2uuj h ARG 73 N 3.58 -0.04 0.00 5.44 2.43 -1.26 -3.39 114.38 121.14 2uuj h ARG 73 Ca -0.49 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 2uuj h ARG 73 Cb 1.23 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2uuj h ARG 73 CO 0.69 0.30 -1.84 0.25 -1.51 0.00 0.00 179.97 177.85 2uuj n THR 74 N -4.95 0.03 -2.45 0.20 -2.24 -1.26 -4.98 114.28 98.63 2uuj n THR 74 Ca -0.08 -0.42 -0.31 0.00 -2.27 0.00 0.00 64.05 60.96 2uuj n THR 74 Cb 0.19 0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.46 2uuj n THR 74 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2uuj s ARG 75 N -3.25 3.85 -0.68 -0.78 3.00 -1.26 -5.01 118.95 114.82 2uuj s ARG 75 Ca -0.07 0.79 -0.24 0.00 -1.00 0.00 0.00 55.73 55.21 2uuj s ARG 75 Cb 0.12 -2.20 0.05 0.00 0.00 0.00 0.00 34.95 32.92 2uuj s ARG 75 CO 0.76 -0.25 1.09 -0.47 0.00 0.00 0.00 175.30 176.43 2uuj s TYR 76 N -2.64 2.53 -1.22 5.12 5.04 -1.26 -4.90 117.35 120.02 2uuj s TYR 76 Ca 0.56 -0.31 -0.16 0.00 -2.44 0.00 0.00 57.07 54.72 2uuj s TYR 76 Cb -0.10 -4.41 0.13 0.00 0.35 0.00 0.00 41.96 37.92 2uuj s TYR 76 CO 0.35 -1.80 1.53 -1.21 -1.34 0.00 0.00 175.55 173.08 2uuj s GLU 77 N 4.71 4.01 0.10 4.97 2.02 -1.26 -4.93 118.70 128.33 2uuj s GLU 77 Ca 0.28 -2.28 -0.36 0.00 0.02 0.00 0.00 54.97 52.62 2uuj s GLU 77 Cb -0.13 -5.24 -0.16 0.00 0.10 0.00 0.00 34.13 28.70 2uuj s GLU 77 CO 0.13 -1.96 1.37 -2.13 0.02 0.00 0.00 175.26 172.68 2uuj n ARG 77 N 6.80 1.27 -1.03 1.61 0.63 -1.26 -0.77 116.66 123.92 2uuj n ARG 77 Ca 0.40 0.46 -0.01 0.00 -0.92 0.00 0.00 57.85 57.78 2uuj n ARG 77 Cb 0.45 -2.11 -0.00 0.00 0.45 0.00 0.00 32.46 31.24 2uuj n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2uuj n ASN 78 N 2.62 -4.10 0.08 6.15 3.02 -1.26 -4.71 115.26 117.05 2uuj n ASN 78 Ca 0.18 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 2uuj n ASN 78 Cb 0.20 -1.69 0.00 0.00 -0.61 0.00 0.00 39.78 37.69 2uuj n ASN 78 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2uuj n ILE 79 N -2.64 0.49 -1.81 2.41 5.41 -0.51 -5.08 119.36 117.63 2uuj n ILE 79 Ca -0.01 0.16 -0.31 0.00 1.00 0.00 0.00 62.75 63.59 2uuj n ILE 79 Cb 0.20 -1.02 0.02 0.00 -0.71 0.00 0.00 39.64 38.13 2uuj n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2uuj s GLU 80 N -2.00 3.29 -0.01 0.38 -1.05 0.05 -4.75 118.70 114.61 2uuj s GLU 80 Ca 0.00 0.93 0.05 0.00 -0.15 0.00 0.00 54.97 55.80 2uuj s GLU 80 Cb 0.00 -2.04 -0.01 0.00 -0.44 0.00 0.00 34.13 31.64 2uuj s GLU 80 CO 0.00 -0.82 -0.17 0.15 0.95 0.00 0.00 175.26 175.37 2uuj s LYS 81 N -4.86 1.33 -0.15 -4.83 -0.14 0.76 -4.91 119.74 106.95 2uuj s LYS 81 Ca 0.58 -0.62 -0.00 0.00 -1.36 0.00 0.00 55.97 54.56 2uuj s LYS 81 Cb -0.13 -1.30 -0.01 0.00 -1.68 0.00 0.00 37.83 34.71 2uuj s LYS 81 CO 0.50 0.35 -0.13 0.42 -0.76 0.00 0.00 175.35 175.74 2uuj s ILE 82 N -0.44 2.98 0.08 2.17 1.01 -1.26 -0.55 121.20 125.20 2uuj s ILE 82 Ca 0.06 -0.67 0.09 0.00 0.00 0.00 0.00 60.65 60.13 2uuj s ILE 82 Cb -0.07 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 2uuj s ILE 82 CO -0.00 0.51 -0.23 -0.44 0.00 0.00 0.00 174.94 174.78 2uuj s SER 83 N 0.61 2.77 0.35 3.58 0.01 0.18 -4.98 113.70 116.22 2uuj s SER 83 Ca -0.07 -0.64 -0.05 0.00 1.31 0.00 0.00 55.95 56.50 2uuj s SER 83 Cb -0.16 -0.19 -0.05 0.00 0.21 0.00 0.00 66.02 65.83 2uuj s SER 83 CO 0.03 0.14 0.62 -0.04 0.41 0.00 0.00 173.24 174.40 2uuj s MET 84 N -1.66 3.61 -0.16 12.44 -1.94 -1.26 -1.11 119.30 129.22 2uuj s MET 84 Ca 0.09 0.04 -0.14 0.00 -1.71 0.00 0.00 55.69 53.97 2uuj s MET 84 Cb -0.10 -2.57 -0.05 0.00 2.01 0.00 0.00 34.83 34.13 2uuj s MET 84 CO 0.04 0.10 0.30 -0.51 -0.01 0.00 0.00 175.02 174.93 2uuj s LEU 85 N -3.94 4.25 -0.11 -0.03 1.43 -1.26 -0.98 118.68 118.04 2uuj s LEU 85 Ca 0.45 0.52 -0.23 0.00 -1.03 0.00 0.00 54.13 53.83 2uuj s LEU 85 Cb -0.10 -2.38 -0.27 0.00 0.03 0.00 0.00 46.19 43.47 2uuj s LEU 85 CO 0.34 0.11 0.72 -0.08 0.23 0.00 0.00 176.35 177.66 2uuj h GLU 86 N 6.60 0.15 -2.17 1.70 4.81 -0.25 -3.44 114.58 121.98 2uuj h GLU 86 Ca -0.42 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 58.50 2uuj h GLU 86 Cb 1.17 0.09 -0.21 0.00 0.63 0.00 0.00 28.75 30.43 2uuj h GLU 86 CO 0.75 1.12 0.06 0.21 -0.73 0.00 0.00 179.01 180.42 2uuj s LYS 87 N -2.35 0.80 -0.11 1.92 2.47 -1.07 -4.99 119.74 116.42 2uuj s LYS 87 Ca -0.18 0.77 -0.08 0.00 -1.56 0.00 0.00 55.97 54.91 2uuj s LYS 87 Cb 0.01 0.39 -0.04 0.00 -1.46 0.00 0.00 37.83 36.72 2uuj s LYS 87 CO 0.74 -0.13 0.17 0.42 0.16 0.00 0.00 175.35 176.71 2uuj s ILE 88 N 0.05 5.45 -0.22 5.43 1.01 -1.26 -1.02 121.20 130.63 2uuj s ILE 88 Ca -0.02 0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.92 2uuj s ILE 88 Cb -0.04 -3.44 0.06 0.00 0.01 0.00 0.00 42.46 39.04 2uuj s ILE 88 CO 0.02 0.60 -0.06 -0.31 0.00 0.00 0.00 174.94 175.19 2uuj s TYR 89 N -0.92 2.33 -0.07 3.97 1.51 0.46 -5.00 117.35 119.63 2uuj s TYR 89 Ca 0.16 -1.66 -0.06 0.00 -1.01 0.00 0.00 57.07 54.50 2uuj s TYR 89 Cb -0.12 -1.56 -0.04 0.00 -0.11 0.00 0.00 41.96 40.12 2uuj s TYR 89 CO 0.05 -0.75 0.17 0.42 -1.11 0.00 0.00 175.55 174.32 2uuj s ILE 90 N 1.42 5.46 0.11 2.71 1.01 -1.26 -0.77 121.20 129.88 2uuj s ILE 90 Ca -0.04 0.09 -0.34 0.00 0.00 0.00 0.00 60.65 60.35 2uuj s ILE 90 Cb -0.18 -3.46 -0.14 0.00 0.01 0.00 0.00 42.46 38.69 2uuj s ILE 90 CO -0.07 0.50 1.62 1.57 0.00 0.00 0.00 174.94 178.57 2uuj n HIS 91 N 1.56 2.25 0.31 3.97 -0.00 -0.82 -4.85 115.22 117.64 2uuj n HIS 91 Ca -0.16 0.24 0.19 0.00 -0.00 0.00 0.00 57.72 57.99 2uuj n HIS 91 Cb 0.54 -2.56 0.97 0.00 -0.00 0.00 0.00 29.99 28.94 2uuj n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2uuj h PRO 92 N 6.46 0.00 -0.59 1.57 0.13 -1.93 -2.16 132.00 135.48 2uuj h PRO 92 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2uuj h PRO 92 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2uuj h PRO 92 CO 0.89 0.02 0.00 0.54 -0.23 0.00 0.00 178.00 179.23 2uuj n ARG 93 N -3.22 2.78 -1.69 0.86 1.74 -1.26 -4.98 116.66 110.88 2uuj n ARG 93 Ca -0.02 -2.44 -0.53 0.00 -0.77 0.00 0.00 57.85 54.09 2uuj n ARG 93 Cb 0.17 -1.46 -0.06 0.00 -1.02 0.00 0.00 32.46 30.09 2uuj n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2uuj n TYR 94 N 1.24 2.14 -3.26 -1.55 9.36 -0.82 -4.73 117.16 119.55 2uuj n TYR 94 Ca 0.20 0.31 -0.43 0.00 3.32 0.00 0.00 57.90 61.29 2uuj n TYR 94 Cb 0.55 -2.54 -0.00 0.00 -0.63 0.00 0.00 39.34 36.72 2uuj n TYR 94 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2uuj n ASN 95 N 5.63 5.69 0.13 2.98 2.85 0.27 -4.81 115.26 128.00 2uuj n ASN 95 Ca 0.24 -3.17 0.12 0.00 -0.11 0.00 0.00 54.58 51.66 2uuj n ASN 95 Cb 0.21 -1.31 0.48 0.00 1.24 0.00 0.00 39.78 40.40 2uuj n ASN 95 CO 0.00 0.00 0.00 4.11 -2.11 0.00 0.00 177.26 179.26 2uuj h TRP 96 N 6.16 0.00 0.00 1.20 5.08 -1.90 0.34 115.95 126.83 2uuj h TRP 96 Ca 0.19 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 60.08 2uuj h TRP 96 Cb 0.78 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.93 2uuj h TRP 96 CO 0.83 0.00 -0.36 0.00 -1.28 0.00 0.00 178.44 177.64 2uuj h ARG 97 N 0.00 0.00 0.00 0.12 3.08 -1.99 -3.43 114.38 112.16 2uuj h ARG 97 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2uuj h ARG 97 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2uuj h ARG 97 CO 0.00 0.36 -0.00 -1.91 -1.07 0.00 0.00 179.97 177.34 2uuj n GLU 97 N -3.36 0.00 -0.33 0.04 2.13 -1.18 -5.00 120.64 112.94 2uuj n GLU 97 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2uuj n GLU 97 Cb 0.56 -0.12 0.00 0.00 0.27 0.00 0.00 31.44 32.15 2uuj n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2uuj n ASN 98 N -2.74 0.00 -2.38 4.31 0.23 -1.17 -4.95 115.26 108.55 2uuj n ASN 98 Ca -0.00 -1.61 -0.19 0.00 -0.53 0.00 0.00 54.58 52.25 2uuj n ASN 98 Cb 0.00 -0.12 -0.01 0.00 -2.08 0.00 0.00 39.78 37.57 2uuj n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2uuj n LEU 99 N 0.00 -1.73 -4.70 -4.53 4.77 0.10 -4.94 117.00 105.98 2uuj n LEU 99 Ca 0.00 0.05 -0.43 0.00 -0.03 0.00 0.00 56.01 55.60 2uuj n LEU 99 Cb 0.62 -2.74 -0.01 0.00 -2.33 0.00 0.00 43.42 38.97 2uuj n LEU 99 CO 0.00 -0.22 0.92 -0.67 -1.33 0.00 0.00 177.39 176.10 2uuj n ASP 100 N -1.94 2.79 -3.25 -1.43 4.64 -1.23 -2.41 116.55 113.73 2uuj n ASP 100 Ca -0.22 1.20 -0.16 0.00 -1.38 0.00 0.00 54.79 54.23 2uuj n ASP 100 Cb 0.67 -1.48 0.08 0.00 -1.04 0.00 0.00 41.12 39.35 2uuj n ASP 100 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2uuj n ARG 101 N 0.78 -5.61 -2.55 -0.67 1.74 -1.26 -0.57 116.66 108.52 2uuj n ARG 101 Ca 0.06 0.80 -0.43 0.00 -0.77 0.00 0.00 57.85 57.50 2uuj n ARG 101 Cb 0.35 -5.63 0.00 0.00 -1.02 0.00 0.00 32.46 26.17 2uuj n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2uuj n ASP 102 N -3.00 4.89 -3.73 0.55 2.03 -1.01 -4.24 116.55 112.03 2uuj n ASP 102 Ca -0.24 -2.93 -0.13 0.00 0.52 0.00 0.00 54.79 52.00 2uuj n ASP 102 Cb 0.65 -1.70 -0.09 0.00 -0.72 0.00 0.00 41.12 39.26 2uuj n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2uuj s ILE 103 N 3.45 0.02 -0.04 5.18 2.07 -1.26 -3.74 121.20 126.87 2uuj s ILE 103 Ca 0.51 -0.14 -0.16 0.00 -1.41 0.00 0.00 60.65 59.44 2uuj s ILE 103 Cb 0.04 -0.61 0.03 0.00 0.13 0.00 0.00 42.46 42.05 2uuj s ILE 103 CO 0.04 -0.08 0.36 0.00 -1.91 0.00 0.00 174.94 173.36 2uuj s ALA 104 N -0.32 -0.92 0.04 1.50 0.00 -0.38 -1.95 121.76 119.73 2uuj s ALA 104 Ca -0.05 0.58 0.06 0.00 0.00 0.00 0.00 51.96 52.56 2uuj s ALA 104 Cb -0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 2uuj s ALA 104 CO 0.02 -0.26 -0.14 -0.51 0.00 0.00 0.00 175.76 174.87 2uuj s LEU 105 N -1.01 2.79 -0.10 0.00 1.43 0.05 -0.94 118.68 120.90 2uuj s LEU 105 Ca -0.11 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 2uuj s LEU 105 Cb -0.04 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.57 2uuj s LEU 105 CO 0.04 0.26 -0.13 -0.04 0.23 0.00 0.00 176.35 176.71 2uuj s MET 106 N -1.50 1.98 -0.17 1.70 -1.94 0.36 -0.40 119.30 119.33 2uuj s MET 106 Ca 0.16 -0.47 -0.15 0.00 -1.71 0.00 0.00 55.69 53.52 2uuj s MET 106 Cb -0.11 -1.74 -0.04 0.00 2.01 0.00 0.00 34.83 34.95 2uuj s MET 106 CO 0.07 -0.09 0.33 0.21 -0.01 0.00 0.00 175.02 175.52 2uuj s LYS 107 N 1.08 4.25 0.49 2.03 2.20 -0.19 -0.81 119.74 128.79 2uuj s LYS 107 Ca -0.05 0.14 -0.17 0.00 -0.36 0.00 0.00 55.97 55.53 2uuj s LYS 107 Cb -0.15 -3.45 -0.09 0.00 -1.51 0.00 0.00 37.83 32.64 2uuj s LYS 107 CO -0.02 0.17 0.97 -0.51 -0.36 0.00 0.00 175.35 175.60 2uuj s LEU 108 N 0.66 3.70 0.29 5.43 1.43 0.33 0.43 118.68 130.95 2uuj s LEU 108 Ca 0.18 1.58 0.01 0.00 -1.03 0.00 0.00 54.13 54.87 2uuj s LEU 108 Cb -0.14 -4.50 0.45 0.00 0.03 0.00 0.00 46.19 42.04 2uuj s LEU 108 CO 0.05 -0.53 1.80 0.11 0.23 0.00 0.00 176.35 178.02 2uuj h LYS 109 N 1.16 0.64 -4.61 1.70 1.57 -1.34 -3.40 116.57 112.29 2uuj h LYS 109 Ca -0.47 -0.17 -0.23 0.00 -1.87 0.00 0.00 60.65 57.91 2uuj h LYS 109 Cb 1.18 -0.08 -0.17 0.00 0.08 0.00 0.00 32.23 33.25 2uuj h LYS 109 CO 0.61 0.69 -0.71 0.15 -0.57 0.00 0.00 179.45 179.62 2uuj s LYS 110 N -4.91 0.72 0.41 3.15 1.02 -1.26 -4.98 119.74 113.89 2uuj s LYS 110 Ca -0.08 -1.14 -0.25 0.00 0.02 0.00 0.00 55.97 54.52 2uuj s LYS 110 Cb 0.15 -0.22 -0.08 0.00 -0.52 0.00 0.00 37.83 37.16 2uuj s LYS 110 CO 0.79 0.00 1.18 -1.25 -0.92 0.00 0.00 175.35 175.15 2uuj s PRO 111 N -3.10 4.00 -0.05 -1.68 0.04 -1.26 -4.77 135.00 128.17 2uuj s PRO 111 Ca 0.04 1.86 -0.16 0.00 0.04 0.00 0.00 61.00 62.78 2uuj s PRO 111 Cb 0.00 -2.64 -0.05 0.00 0.04 0.00 0.00 34.50 31.86 2uuj s PRO 111 CO -0.03 -0.37 0.44 0.54 0.04 0.00 0.00 177.00 177.61 2uuj s VAL 112 N -1.42 5.08 0.08 -0.36 0.11 -0.18 -5.02 120.40 118.70 2uuj s VAL 112 Ca 0.58 0.90 -0.31 0.00 -2.93 0.00 0.00 61.98 60.22 2uuj s VAL 112 Cb -0.31 -3.76 -0.06 0.00 -1.53 0.00 0.00 36.38 30.71 2uuj s VAL 112 CO 0.39 0.46 1.27 0.00 -3.33 0.00 0.00 175.10 173.90 2uuj s ALA 113 N -0.30 3.47 0.61 1.54 0.00 -1.26 -4.79 121.76 121.03 2uuj s ALA 113 Ca 0.24 0.95 -0.15 0.00 0.00 0.00 0.00 51.96 53.01 2uuj s ALA 113 Cb -0.16 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 2uuj s ALA 113 CO 0.12 -0.51 1.05 -0.06 0.00 0.00 0.00 175.76 176.37 2uuj s PHE 114 N 1.09 3.03 0.05 0.00 0.08 -1.26 -4.88 117.98 116.09 2uuj s PHE 114 Ca 0.61 1.49 -0.01 0.00 0.12 0.00 0.00 56.93 59.14 2uuj s PHE 114 Cb -0.32 -2.97 0.01 0.00 -0.57 0.00 0.00 43.02 39.16 2uuj s PHE 114 CO 0.29 -1.11 0.09 -1.13 -0.10 0.00 0.00 175.22 173.26 2uuj n SER 115 N -2.26 -0.26 0.30 1.36 3.41 -0.25 -4.93 113.62 111.00 2uuj n SER 115 Ca 0.08 -1.21 0.18 0.00 -0.26 0.00 0.00 58.87 57.67 2uuj n SER 115 Cb 0.53 0.43 0.93 0.00 -0.26 0.00 0.00 64.21 65.84 2uuj n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2uuj h ASP 116 N 0.25 0.00 -0.01 4.04 3.32 -1.99 -2.99 116.42 119.04 2uuj h ASP 116 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2uuj h ASP 116 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2uuj h ASP 116 CO 0.05 0.03 -0.31 -1.22 -1.72 0.00 0.00 179.24 176.07 2uuj n TYR 117 N -3.25 0.00 -3.74 4.55 4.02 -1.26 -4.77 117.16 112.72 2uuj n TYR 117 Ca -0.02 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.61 2uuj n TYR 117 Cb 0.18 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.34 2uuj n TYR 117 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2uuj s ILE 118 N -1.62 0.44 -0.23 -0.72 1.01 -1.13 -4.02 121.20 114.94 2uuj s ILE 118 Ca 0.08 -0.33 -0.25 0.00 0.00 0.00 0.00 60.65 60.15 2uuj s ILE 118 Cb 0.09 -0.85 0.07 0.00 0.01 0.00 0.00 42.46 41.77 2uuj s ILE 118 CO 0.33 -0.07 0.70 -2.28 0.00 0.00 0.00 174.94 173.61 2uuj s HIS 119 N 1.91 -0.75 0.49 3.97 2.46 -0.64 -1.09 115.29 121.64 2uuj s HIS 119 Ca 0.01 1.77 -0.19 0.00 0.47 0.00 0.00 55.06 57.12 2uuj s HIS 119 Cb -0.16 0.28 -0.08 0.00 -0.13 0.00 0.00 32.58 32.49 2uuj s HIS 119 CO -0.07 -0.41 1.00 -1.25 -2.47 0.00 0.00 174.74 171.54 2uuj s PRO 120 N 0.14 3.91 0.37 2.88 0.04 -1.26 -2.43 135.00 138.65 2uuj s PRO 120 Ca -0.02 1.15 -0.07 0.00 0.04 0.00 0.00 61.00 62.10 2uuj s PRO 120 Cb -0.04 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 2uuj s PRO 120 CO 0.02 -0.32 0.67 0.54 0.04 0.00 0.00 177.00 177.96 2uuj s VAL 121 N -2.29 4.92 0.40 -0.36 0.11 -0.55 -4.91 120.40 117.70 2uuj s VAL 121 Ca 0.63 0.27 -0.13 0.00 -2.93 0.00 0.00 61.98 59.83 2uuj s VAL 121 Cb -0.12 -3.76 -0.07 0.00 -1.53 0.00 0.00 36.38 30.90 2uuj s VAL 121 CO 0.23 -0.49 0.79 0.00 -3.33 0.00 0.00 175.10 172.30 2uuj s LEU 123 N -3.65 3.90 0.52 0.00 1.43 -1.26 -0.78 118.68 118.84 2uuj s LEU 123 Ca 0.53 0.19 -0.20 0.00 -1.03 0.00 0.00 54.13 53.62 2uuj s LEU 123 Cb -0.10 -2.14 -0.06 0.00 0.03 0.00 0.00 46.19 43.91 2uuj s LEU 123 CO 0.27 0.32 1.13 -2.16 0.23 0.00 0.00 176.35 176.14 2uuj s PRO 124 N -1.44 3.48 0.51 1.29 0.04 -1.26 -4.94 135.00 132.68 2uuj s PRO 124 Ca 0.19 1.62 0.08 0.00 0.04 0.00 0.00 61.00 62.93 2uuj s PRO 124 Cb -0.12 -2.09 0.09 0.00 0.04 0.00 0.00 34.50 32.42 2uuj s PRO 124 CO 0.10 -0.75 0.70 -0.40 0.04 0.00 0.00 177.00 176.69 2uuj n ASP 125 N -1.11 1.79 -0.27 6.66 3.85 -1.26 -4.81 116.55 121.40 2uuj n ASP 125 Ca 0.11 -2.31 0.02 0.00 -0.71 0.00 0.00 54.79 51.90 2uuj n ASP 125 Cb 0.51 -0.38 0.24 0.00 -1.35 0.00 0.00 41.12 40.14 2uuj n ASP 125 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.20 176.10 2uuj h ARG 126 N 0.00 1.01 -0.07 0.11 2.43 -1.97 -2.05 114.38 113.85 2uuj h ARG 126 Ca -0.24 -0.06 -0.20 0.00 -0.81 0.00 0.00 59.98 58.67 2uuj h ARG 126 Cb 1.07 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2uuj h ARG 126 CO 0.33 0.67 -0.80 0.93 -1.51 0.00 0.00 179.97 179.59 2uuj h GLU 127 N 1.04 0.47 0.00 0.20 3.07 -2.03 -1.26 114.58 116.07 2uuj h GLU 127 Ca 0.34 -0.42 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 2uuj h GLU 127 Cb 0.05 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 2uuj h GLU 127 CO -0.10 1.06 0.00 2.41 -1.40 0.00 0.00 179.01 180.98 2uuj n THR 128 N -3.83 0.00 0.00 1.13 -1.04 -0.77 -0.55 114.28 109.22 2uuj n THR 128 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 2uuj n THR 128 Cb 0.75 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 2uuj n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2uuj n ALA 129 N 0.18 0.00 -0.11 2.41 0.00 -0.48 -0.63 120.51 121.88 2uuj n ALA 129 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2uuj n ALA 129 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2uuj n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2uuj h SER 129 N 0.00 0.79 0.00 0.00 0.02 -1.08 -3.38 113.55 109.89 2uuj h SER 129 Ca 0.00 -0.44 -0.16 0.00 -0.84 0.00 0.00 61.79 60.34 2uuj h SER 129 Cb 0.00 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.29 2uuj h SER 129 CO 0.00 1.07 -2.06 0.18 -1.14 0.00 0.00 176.83 174.87 2uuj n LEU 129 N -4.26 0.00 -4.18 5.07 4.77 0.19 -4.72 117.00 113.89 2uuj n LEU 129 Ca -0.03 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.52 2uuj n LEU 129 Cb 0.45 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 2uuj n LEU 129 CO 0.45 0.22 1.71 -0.11 -1.33 0.00 0.00 177.39 178.33 2uuj n LEU 130 N -2.42 5.91 -4.03 2.23 -0.00 -1.26 -4.80 117.00 112.63 2uuj n LEU 130 Ca -0.16 -4.52 -0.20 0.00 -0.00 0.00 0.00 56.01 51.14 2uuj n LEU 130 Cb 0.79 -1.56 -0.15 0.00 -0.00 0.00 0.00 43.42 42.50 2uuj n LEU 130 CO 0.40 1.01 -0.44 -1.10 -0.00 0.00 0.00 177.39 177.26 2uuj s GLN 131 N 1.17 0.84 0.28 1.96 -0.21 -1.26 -4.91 119.66 117.52 2uuj s GLN 131 Ca 0.42 -0.34 -0.30 0.00 0.02 0.00 0.00 55.36 55.15 2uuj s GLN 131 Cb 0.04 -0.81 -0.13 0.00 1.00 0.00 0.00 33.01 33.11 2uuj s GLN 131 CO 0.00 0.19 1.37 0.00 -2.12 0.00 0.00 175.29 174.74 2uuj n ALA 132 N 2.93 1.22 0.00 6.09 0.00 -1.26 -1.34 120.51 128.16 2uuj n ALA 132 Ca -0.15 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2uuj n ALA 132 Cb 0.56 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.74 2uuj n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uuj n GLY 133 N 1.70 2.99 3.76 0.00 0.00 0.43 -4.95 105.19 109.11 2uuj n GLY 133 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2uuj n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2uuj s TYR 134 N -2.58 3.32 -0.02 1.61 1.51 -0.45 -4.59 117.35 116.15 2uuj s TYR 134 Ca 0.00 1.49 -0.04 0.00 -1.01 0.00 0.00 57.07 57.51 2uuj s TYR 134 Cb 0.00 -3.49 -0.04 0.00 -0.11 0.00 0.00 41.96 38.32 2uuj s TYR 134 CO 0.00 -1.30 0.18 0.15 -1.11 0.00 0.00 175.55 173.47 2uuj s LYS 135 N -1.20 3.45 0.49 -0.62 1.02 -1.26 -0.90 119.74 120.73 2uuj s LYS 135 Ca 0.49 -0.28 0.01 0.00 0.02 0.00 0.00 55.97 56.22 2uuj s LYS 135 Cb -0.35 -3.11 -0.01 0.00 -0.52 0.00 0.00 37.83 33.84 2uuj s LYS 135 CO 0.44 0.69 0.05 0.20 -0.92 0.00 0.00 175.35 175.81 2uuj s GLY 136 N -1.81 2.99 -0.07 -3.33 0.00 -0.29 -4.83 107.32 99.98 2uuj s GLY 136 Ca 0.26 -0.40 0.03 0.00 0.00 0.00 0.00 44.72 44.60 2uuj s GLY 136 CO 0.17 -2.08 -0.16 -1.60 0.00 0.00 0.00 173.10 169.43 2uuj s ARG 137 N -3.81 2.05 -0.02 2.90 3.52 0.26 -0.16 118.95 123.69 2uuj s ARG 137 Ca 0.08 -0.55 0.06 0.00 -0.13 0.00 0.00 55.73 55.19 2uuj s ARG 137 Cb 0.00 -1.64 -0.02 0.00 -1.56 0.00 0.00 34.95 31.73 2uuj s ARG 137 CO 0.05 0.08 -0.21 0.08 -0.81 0.00 0.00 175.30 174.50 2uuj s VAL 138 N 0.54 2.53 0.05 7.11 1.01 0.09 -0.87 120.40 130.86 2uuj s VAL 138 Ca -0.15 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 60.88 2uuj s VAL 138 Cb -0.16 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 2uuj s VAL 138 CO 0.05 0.55 -0.10 0.42 0.00 0.00 0.00 175.10 176.02 2uuj s THR 139 N -0.70 0.73 0.00 3.92 -4.23 -1.25 -1.13 115.64 112.98 2uuj s THR 139 Ca 0.11 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 2uuj s THR 139 Cb -0.10 -0.81 0.00 0.00 1.34 0.00 0.00 72.50 72.93 2uuj s THR 139 CO 0.00 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 2uuj n GLY 140 N 1.32 -0.36 0.84 3.99 0.00 -0.34 -4.60 105.19 106.05 2uuj n GLY 140 Ca -0.22 -1.05 0.09 0.00 0.00 0.00 0.00 46.02 44.84 2uuj n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2uuj n TRP 141 N -0.35 0.88 -1.23 1.61 8.01 -1.26 -1.37 117.44 123.73 2uuj n TRP 141 Ca 0.00 -0.89 -0.19 0.00 -1.31 0.00 0.00 57.50 55.11 2uuj n TRP 141 Cb 0.00 -0.30 0.15 0.00 -2.01 0.00 0.00 31.31 29.15 2uuj n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2uuj n GLY 142 N -0.57 -2.02 3.68 6.99 0.00 -1.26 -4.55 105.19 107.45 2uuj n GLY 142 Ca 0.21 -1.59 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 2uuj n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2uuj n ASN 143 N -3.90 1.75 0.08 1.61 4.13 0.98 -3.02 115.26 116.89 2uuj n ASN 143 Ca 0.10 0.91 0.13 0.00 1.68 0.00 0.00 54.58 57.40 2uuj n ASN 143 Cb 0.38 -1.48 0.29 0.00 -1.54 0.00 0.00 39.78 37.44 2uuj n ASN 143 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2uuj n LEU 144 N -0.82 0.75 -3.78 3.41 4.77 0.23 -1.07 117.00 120.49 2uuj n LEU 144 Ca 0.12 0.40 -0.12 0.00 -0.03 0.00 0.00 56.01 56.39 2uuj n LEU 144 Cb 0.45 -0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 41.21 2uuj n LEU 144 CO 0.52 -0.12 -0.01 -0.54 -1.33 0.00 0.00 177.39 175.91 2uuj s LYS 145 N -3.13 0.73 0.18 3.23 1.02 -1.26 -4.25 119.74 116.27 2uuj s LYS 145 Ca 0.09 -0.45 -0.12 0.00 0.02 0.00 0.00 55.97 55.51 2uuj s LYS 145 Cb 0.13 0.32 0.10 0.00 -0.52 0.00 0.00 37.83 37.85 2uuj s LYS 145 CO 0.66 -0.22 1.81 1.49 -0.92 0.00 0.00 175.35 178.16 2uuj h GLU 146 N 3.48 0.87 -1.27 1.68 4.81 -1.91 -3.47 114.58 118.77 2uuj h GLU 146 Ca -0.31 -0.09 -0.39 0.00 -0.13 0.00 0.00 59.36 58.43 2uuj h GLU 146 Cb 1.19 -0.17 -0.31 0.00 0.63 0.00 0.00 28.75 30.09 2uuj h GLU 146 CO 0.45 0.64 -0.92 0.25 -0.73 0.00 0.00 179.01 178.70 2uuj n THR 147 N -4.57 -0.12 0.00 0.32 -2.24 -1.26 -5.01 114.28 101.41 2uuj n THR 147 Ca 0.05 -3.46 0.00 0.00 -2.27 0.00 0.00 64.05 58.37 2uuj n THR 147 Cb 0.07 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 2uuj n THR 147 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2uuj n GLY 150 N 0.34 3.16 3.34 3.38 0.00 -1.26 -5.10 105.19 109.05 2uuj n GLY 150 Ca 0.18 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 2uuj n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2uuj s GLN 151 N 4.99 2.36 0.48 1.61 -0.21 -1.26 -0.60 119.66 127.03 2uuj s GLN 151 Ca 0.00 -0.86 -0.18 0.00 0.02 0.00 0.00 55.36 54.34 2uuj s GLN 151 Cb 0.00 -2.17 -0.09 0.00 1.00 0.00 0.00 33.01 31.75 2uuj s GLN 151 CO 0.00 0.52 0.96 -1.25 -2.12 0.00 0.00 175.29 173.40 2uuj s PRO 152 N -0.49 4.05 0.19 2.91 0.04 -1.26 -4.96 135.00 135.49 2uuj s PRO 152 Ca 0.06 1.00 0.09 0.00 0.04 0.00 0.00 61.00 62.19 2uuj s PRO 152 Cb -0.11 -2.16 0.03 0.00 0.04 0.00 0.00 34.50 32.30 2uuj s PRO 152 CO 0.01 -0.17 1.42 0.66 0.04 0.00 0.00 177.00 178.96 2uuj h SER 153 N 1.32 0.00 -4.89 6.66 4.64 -1.97 -3.42 113.55 115.90 2uuj h SER 153 Ca -0.48 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.65 2uuj h SER 153 Cb 1.18 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.12 2uuj h SER 153 CO 0.61 0.80 -0.68 0.68 -0.87 0.00 0.00 176.83 177.38 2uuj s VAL 154 N -3.05 0.47 0.14 0.95 -7.23 -1.26 -0.90 120.40 109.53 2uuj s VAL 154 Ca 0.01 -1.90 -0.34 0.00 -1.81 0.00 0.00 61.98 57.94 2uuj s VAL 154 Cb 0.11 -1.73 -0.16 0.00 0.56 0.00 0.00 36.38 35.15 2uuj s VAL 154 CO 0.79 -0.81 1.20 -0.11 -0.31 0.00 0.00 175.10 175.85 2uuj n LEU 155 N -0.03 1.44 -4.75 1.32 7.94 -0.02 -4.82 117.00 118.08 2uuj n LEU 155 Ca -0.11 1.14 -0.28 0.00 -1.11 0.00 0.00 56.01 55.65 2uuj n LEU 155 Cb 0.62 -1.19 -0.07 0.00 0.53 0.00 0.00 43.42 43.31 2uuj n LEU 155 CO 0.30 -1.29 -0.27 -1.10 -1.11 0.00 0.00 177.39 173.92 2uuj s GLN 156 N -0.14 2.73 0.03 1.96 -1.52 -0.47 -0.19 119.66 122.06 2uuj s GLN 156 Ca 0.77 -0.87 0.02 0.00 -1.95 0.00 0.00 55.36 53.33 2uuj s GLN 156 Cb -0.90 -2.59 -0.02 0.00 -0.22 0.00 0.00 33.01 29.29 2uuj s GLN 156 CO 0.51 0.51 -0.07 0.54 -0.25 0.00 0.00 175.29 176.53 2uuj s VAL 157 N -1.59 0.51 -0.09 1.09 0.11 0.21 -1.20 120.40 119.44 2uuj s VAL 157 Ca 0.29 -0.78 -0.12 0.00 -2.93 0.00 0.00 61.98 58.44 2uuj s VAL 157 Cb -0.11 -0.53 0.03 0.00 -1.53 0.00 0.00 36.38 34.24 2uuj s VAL 157 CO 0.21 -0.20 0.31 0.54 -3.33 0.00 0.00 175.10 172.63 2uuj s VAL 158 N -0.94 0.01 -0.15 2.04 0.11 -0.29 -1.34 120.40 119.85 2uuj s VAL 158 Ca -0.06 -0.11 -0.09 0.00 -2.93 0.00 0.00 61.98 58.79 2uuj s VAL 158 Cb -0.07 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.26 2uuj s VAL 158 CO 0.00 -0.06 0.17 0.20 -3.33 0.00 0.00 175.10 172.08 2uuj s ASN 159 N -0.17 6.34 0.00 3.54 0.01 -1.26 -0.73 114.94 122.67 2uuj s ASN 159 Ca -0.03 0.39 0.00 0.00 -0.71 0.00 0.00 52.86 52.52 2uuj s ASN 159 Cb -0.03 -2.10 -0.00 0.00 0.41 0.00 0.00 41.25 39.53 2uuj s ASN 159 CO 0.01 0.27 -0.02 -0.76 -1.51 0.00 0.00 177.10 175.09 2uuj s LEU 160 N -0.25 2.03 0.29 0.60 1.43 0.78 -4.95 118.68 118.61 2uuj s LEU 160 Ca 0.13 -0.07 -0.25 0.00 -1.03 0.00 0.00 54.13 52.90 2uuj s LEU 160 Cb -0.12 -0.06 -0.09 0.00 0.03 0.00 0.00 46.19 45.95 2uuj s LEU 160 CO 0.02 -0.01 0.89 -2.16 0.23 0.00 0.00 176.35 175.32 2uuj s PRO 161 N -0.18 4.52 0.26 1.29 0.04 -1.26 -1.14 135.00 138.54 2uuj s PRO 161 Ca -0.01 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 61.96 2uuj s PRO 161 Cb -0.01 -2.84 -0.10 0.00 0.04 0.00 0.00 34.50 31.58 2uuj s PRO 161 CO -0.00 0.32 1.44 0.42 0.04 0.00 0.00 177.00 179.22 2uuj s ILE 162 N -1.57 2.61 -0.01 0.56 1.01 -0.07 -0.83 121.20 122.90 2uuj s ILE 162 Ca 0.48 0.53 -0.01 0.00 0.00 0.00 0.00 60.65 61.65 2uuj s ILE 162 Cb -0.19 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 2uuj s ILE 162 CO 0.23 0.09 0.09 -0.69 0.00 0.00 0.00 174.94 174.67 2uuj s VAL 163 N -0.15 4.82 0.36 2.92 1.01 -0.21 -0.43 120.40 128.71 2uuj s VAL 163 Ca 0.58 -0.37 -0.27 0.00 0.00 0.00 0.00 61.98 61.92 2uuj s VAL 163 Cb -0.42 -3.21 -0.12 0.00 0.00 0.00 0.00 36.38 32.63 2uuj s VAL 163 CO 0.45 0.35 1.27 -0.62 0.00 0.00 0.00 175.10 176.56 2uuj n GLU 164 N 1.17 2.06 -0.25 2.72 4.71 -1.26 -4.64 120.64 125.14 2uuj n GLU 164 Ca -0.13 0.72 -0.06 0.00 -0.01 0.00 0.00 57.16 57.69 2uuj n GLU 164 Cb 0.53 -2.32 0.08 0.00 -1.01 0.00 0.00 31.44 28.72 2uuj n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2uuj h ARG 165 N 2.43 1.11 -0.48 3.49 3.08 -1.97 -1.58 114.38 120.45 2uuj h ARG 165 Ca -0.46 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.35 2uuj h ARG 165 Cb 1.29 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 2uuj h ARG 165 CO 0.62 0.94 0.26 -1.35 -1.07 0.00 0.00 179.97 179.38 2uuj h PRO 166 N 1.07 0.65 -0.48 0.04 0.11 -1.99 -0.64 132.00 130.76 2uuj h PRO 166 Ca 0.23 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.20 2uuj h PRO 166 Cb 0.29 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 2uuj h PRO 166 CO -0.01 0.48 -0.03 0.28 -0.21 0.00 0.00 178.00 178.51 2uuj h VAL 167 N 0.66 1.27 -0.37 3.15 2.07 -1.70 -0.64 116.25 120.70 2uuj h VAL 167 Ca 0.17 -1.11 0.04 0.00 0.82 0.00 0.00 66.70 66.62 2uuj h VAL 167 Cb 0.01 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 2uuj h VAL 167 CO -0.03 0.39 0.13 0.00 0.02 0.00 0.00 177.57 178.07 2uuj h LYS 169 N 0.28 1.24 0.00 0.00 3.64 -0.89 -2.33 116.57 118.51 2uuj h LYS 169 Ca 0.17 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2uuj h LYS 169 Cb 0.15 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2uuj h LYS 169 CO -0.18 0.90 0.00 -0.25 -2.27 0.00 0.00 179.45 177.66 2uuj n ASP 170 N -4.33 0.00 -0.10 4.20 8.00 -0.27 -3.29 116.55 120.76 2uuj n ASP 170 Ca 0.10 -0.45 0.11 0.00 0.71 0.00 0.00 54.79 55.26 2uuj n ASP 170 Cb 0.09 -0.16 0.11 0.00 -0.02 0.00 0.00 41.12 41.15 2uuj n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2uuj n SER 171 N -1.16 0.95 -3.77 -2.24 3.41 -0.88 -4.97 113.62 104.97 2uuj n SER 171 Ca 0.16 -0.77 -0.10 0.00 -0.26 0.00 0.00 58.87 57.90 2uuj n SER 171 Cb 0.16 0.51 -0.07 0.00 -0.26 0.00 0.00 64.21 64.56 2uuj n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2uuj s THR 172 N -2.85 0.10 -1.20 6.66 -1.32 -1.21 -4.83 115.64 110.99 2uuj s THR 172 Ca 0.13 -0.86 0.25 0.00 -1.21 0.00 0.00 61.69 60.00 2uuj s THR 172 Cb 0.17 -1.15 0.06 0.00 -1.51 0.00 0.00 72.50 70.07 2uuj s THR 172 CO 0.71 -0.47 1.42 0.54 -2.21 0.00 0.00 174.62 174.61 2uuj n ARG 173 N 0.14 0.23 -2.52 7.08 1.74 -1.26 -4.93 116.66 117.13 2uuj n ARG 173 Ca -0.17 -0.14 -0.38 0.00 -0.77 0.00 0.00 57.85 56.40 2uuj n ARG 173 Cb 0.62 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.52 2uuj n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2uuj s ILE 174 N -2.87 3.64 -0.10 0.55 -1.09 -1.26 -4.98 121.20 115.09 2uuj s ILE 174 Ca 0.14 1.39 -0.30 0.00 -2.23 0.00 0.00 60.65 59.66 2uuj s ILE 174 Cb 0.18 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.25 2uuj s ILE 174 CO 0.66 0.14 1.25 -0.60 -1.23 0.00 0.00 174.94 175.16 2uuj s ARG 175 N -2.11 4.29 0.10 2.79 3.52 -1.26 -5.02 118.95 121.26 2uuj s ARG 175 Ca 0.53 1.69 -0.04 0.00 -0.13 0.00 0.00 55.73 57.78 2uuj s ARG 175 Cb -0.26 -3.66 -0.05 0.00 -1.56 0.00 0.00 34.95 29.43 2uuj s ARG 175 CO 0.32 -0.58 0.33 0.42 -0.81 0.00 0.00 175.30 174.98 2uuj s ILE 176 N 2.83 5.23 0.40 4.11 1.01 -1.26 -4.85 121.20 128.67 2uuj s ILE 176 Ca 0.56 -0.02 0.07 0.00 0.00 0.00 0.00 60.65 61.25 2uuj s ILE 176 Cb -0.24 -3.62 -0.08 0.00 0.01 0.00 0.00 42.46 38.53 2uuj s ILE 176 CO 0.19 0.12 0.01 0.42 0.00 0.00 0.00 174.94 175.68 2uuj s THR 177 N -1.57 1.95 -0.03 2.92 -4.23 -1.26 -5.03 115.64 108.39 2uuj s THR 177 Ca 0.37 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.19 2uuj s THR 177 Cb -0.13 -2.99 0.34 0.00 1.34 0.00 0.00 72.50 71.07 2uuj s THR 177 CO 0.24 0.00 1.93 0.44 -0.54 0.00 0.00 174.62 176.68 2uuj h ASP 178 N 1.79 0.00 -0.01 3.99 3.32 -2.03 -2.14 116.42 121.35 2uuj h ASP 178 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2uuj h ASP 178 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2uuj h ASP 178 CO 0.80 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.91 2uuj n ASN 179 N -2.74 0.08 -4.24 6.45 3.02 -1.26 -4.85 115.26 111.72 2uuj n ASN 179 Ca 0.00 -1.98 -0.18 0.00 -0.03 0.00 0.00 54.58 52.39 2uuj n ASN 179 Cb 0.22 -0.01 -0.11 0.00 -0.61 0.00 0.00 39.78 39.27 2uuj n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2uuj s MET 180 N -1.98 1.01 0.22 3.52 -1.94 -0.80 -0.94 119.30 118.38 2uuj s MET 180 Ca 0.02 -1.21 -0.00 0.00 -1.71 0.00 0.00 55.69 52.79 2uuj s MET 180 Cb 0.01 -0.92 -0.04 0.00 2.01 0.00 0.00 34.83 35.88 2uuj s MET 180 CO 0.02 0.18 0.11 -0.59 -0.01 0.00 0.00 175.02 174.73 2uuj s PHE 181 N -2.01 1.28 0.19 -0.03 -0.12 -0.09 -4.80 117.98 112.40 2uuj s PHE 181 Ca 0.08 -1.28 0.08 0.00 -0.05 0.00 0.00 56.93 55.76 2uuj s PHE 181 Cb -0.06 -0.68 -0.04 0.00 -0.63 0.00 0.00 43.02 41.61 2uuj s PHE 181 CO 0.03 -0.50 -0.17 0.00 -0.05 0.00 0.00 175.22 174.53 2uuj s ALA 183 N -2.45 -0.24 0.00 0.00 0.00 -0.63 -1.05 121.76 117.39 2uuj s ALA 183 Ca 0.20 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.77 2uuj s ALA 183 Cb -0.04 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.35 2uuj s ALA 183 CO 0.07 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.90 2uuj n GLY 184 N 0.74 3.88 3.83 0.00 0.00 -0.01 -2.16 105.19 111.46 2uuj n GLY 184 Ca -0.19 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 2uuj n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2uuj s TYR 184 N -2.00 3.38 0.55 1.61 1.51 -1.26 -4.49 117.35 116.65 2uuj s TYR 184 Ca 0.00 1.43 -0.14 0.00 -1.01 0.00 0.00 57.07 57.35 2uuj s TYR 184 Cb 0.00 -2.70 -0.07 0.00 -0.11 0.00 0.00 41.96 39.08 2uuj s TYR 184 CO 0.00 0.03 0.99 0.15 -1.11 0.00 0.00 175.55 175.61 2uuj s LYS 185 N -2.94 3.83 0.27 -0.62 1.02 -1.26 -4.77 119.74 115.26 2uuj s LYS 185 Ca 0.57 0.87 0.00 0.00 0.02 0.00 0.00 55.97 57.43 2uuj s LYS 185 Cb -0.11 -2.13 0.59 0.00 -0.52 0.00 0.00 37.83 35.67 2uuj s LYS 185 CO 0.16 -0.36 1.74 -1.35 -0.92 0.00 0.00 175.35 174.62 2uuj h PRO 186 N 0.52 0.53 0.00 -1.68 0.11 -1.95 -0.68 132.00 128.86 2uuj h PRO 186 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2uuj h PRO 186 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2uuj h PRO 186 CO 0.62 0.35 0.00 -3.47 -0.21 0.00 0.00 178.00 175.29 2uuj n ASP 186 N -4.93 0.73 0.04 -2.05 -0.08 -1.26 -2.93 116.55 106.07 2uuj n ASP 186 Ca 0.18 0.66 0.11 0.00 -1.51 0.00 0.00 54.79 54.24 2uuj n ASP 186 Cb 0.50 -0.82 0.46 0.00 2.34 0.00 0.00 41.12 43.60 2uuj n ASP 186 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2uuj n GLU 186 N -2.28 0.07 0.00 -0.67 1.02 -0.26 -4.91 120.64 113.61 2uuj n GLU 186 Ca 0.03 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 2uuj n GLU 186 Cb 0.26 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 2uuj n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2uuj n GLY 186 N 0.75 1.85 3.89 0.62 0.00 -1.15 -4.94 105.19 106.21 2uuj n GLY 186 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 2uuj n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uuj s LYS 186 N 0.00 3.61 0.34 1.61 1.02 -1.26 -5.08 119.74 119.98 2uuj s LYS 186 Ca 0.00 0.35 0.03 0.00 0.02 0.00 0.00 55.97 56.37 2uuj s LYS 186 Cb 0.00 -2.34 -0.04 0.00 -0.52 0.00 0.00 37.83 34.93 2uuj s LYS 186 CO 0.00 -0.21 0.12 1.03 -0.92 0.00 0.00 175.35 175.37 2uuj s ARG 187 N -4.57 1.70 0.00 1.68 0.52 -1.26 -4.69 118.95 112.33 2uuj s ARG 187 Ca 0.49 -1.99 0.00 0.00 -0.52 0.00 0.00 55.73 53.72 2uuj s ARG 187 Cb -0.10 -0.48 0.00 0.00 0.52 0.00 0.00 34.95 34.89 2uuj s ARG 187 CO 0.43 -0.38 0.00 0.41 0.02 0.00 0.00 175.30 175.77 2uuj n GLY 188 N -0.71 4.77 3.63 -3.53 0.00 -1.26 -4.90 105.19 103.19 2uuj n GLY 188 Ca -0.02 -0.92 -0.07 0.00 0.00 0.00 0.00 46.02 45.00 2uuj n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2uuj s ASP 189 N 0.00 -0.33 0.79 1.61 3.68 -0.91 -4.67 116.67 116.84 2uuj s ASP 189 Ca 0.00 -0.24 -0.12 0.00 2.13 0.00 0.00 52.55 54.33 2uuj s ASP 189 Cb 0.00 0.53 0.06 0.00 -1.45 0.00 0.00 42.92 42.06 2uuj s ASP 189 CO 0.00 -0.92 1.11 0.00 0.13 0.00 0.00 175.17 175.49 2uuj s ALA 190 N -3.45 2.42 0.09 3.66 0.00 -1.26 -0.84 121.76 122.38 2uuj s ALA 190 Ca 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 51.96 51.70 2uuj s ALA 190 Cb -0.02 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.04 2uuj s ALA 190 CO -0.03 -1.62 0.13 0.00 0.00 0.00 0.00 175.76 174.24 2uuj n GLU 192 N -0.15 1.57 0.00 0.00 2.13 -1.26 -0.69 120.64 122.24 2uuj n GLU 192 Ca -0.00 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.39 2uuj n GLU 192 Cb 0.15 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.58 2uuj n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2uuj n GLY 193 N 3.37 2.89 0.02 8.31 0.00 -1.26 -0.01 105.19 118.51 2uuj n GLY 193 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 2uuj n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2uuj n ASP 194 N 0.00 0.65 -4.48 1.61 10.43 0.14 -3.55 116.55 121.35 2uuj n ASP 194 Ca 0.00 -0.33 -0.46 0.00 2.57 0.00 0.00 54.79 56.57 2uuj n ASP 194 Cb 0.00 0.68 -0.02 0.00 1.84 0.00 0.00 41.12 43.62 2uuj n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2uuj n SER 195 N -1.79 -0.20 0.00 -2.24 7.64 -1.26 -1.82 113.62 113.95 2uuj n SER 195 Ca 0.03 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.05 2uuj n SER 195 Cb 0.40 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 2uuj n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2uuj n GLY 196 N 1.67 2.46 3.85 0.23 0.00 -0.16 -0.26 105.19 112.98 2uuj n GLY 196 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2uuj n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2uuj s GLY 197 N -1.89 1.58 0.22 -0.02 0.00 -0.76 -3.21 107.32 103.24 2uuj s GLY 197 Ca 0.00 -0.59 -0.17 0.00 0.00 0.00 0.00 44.72 43.96 2uuj s GLY 197 CO 0.00 -0.06 0.67 2.56 0.00 0.00 0.00 173.10 176.26 2uuj s PRO 198 N -5.43 4.12 -0.35 2.90 0.04 -1.26 -0.52 135.00 134.50 2uuj s PRO 198 Ca 0.63 0.70 -0.09 0.00 0.04 0.00 0.00 61.00 62.28 2uuj s PRO 198 Cb -0.13 -2.82 0.02 0.00 0.04 0.00 0.00 34.50 31.62 2uuj s PRO 198 CO 0.51 0.38 0.16 0.12 0.04 0.00 0.00 177.00 178.21 2uuj s PHE 199 N -1.59 3.22 0.18 0.56 5.36 -0.03 -3.81 117.98 121.88 2uuj s PHE 199 Ca 0.43 -1.02 0.10 0.00 -0.96 0.00 0.00 56.93 55.48 2uuj s PHE 199 Cb -0.15 -2.36 -0.04 0.00 -0.34 0.00 0.00 43.02 40.13 2uuj s PHE 199 CO 0.20 -0.63 -0.17 0.14 -1.46 0.00 0.00 175.22 173.30 2uuj s VAL 200 N 1.52 2.76 0.02 3.12 -7.23 -0.05 -0.70 120.40 119.84 2uuj s VAL 200 Ca 0.02 -1.81 0.02 0.00 -1.81 0.00 0.00 61.98 58.40 2uuj s VAL 200 Cb -0.19 -2.34 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 2uuj s VAL 200 CO 0.05 -0.09 -0.08 -0.04 -0.31 0.00 0.00 175.10 174.64 2uuj s MET 201 N -2.67 0.55 -0.37 4.82 -1.94 0.13 -0.57 119.30 119.25 2uuj s MET 201 Ca 0.22 -0.51 -0.14 0.00 -1.71 0.00 0.00 55.69 53.56 2uuj s MET 201 Cb -0.09 -0.45 0.00 0.00 2.01 0.00 0.00 34.83 36.31 2uuj s MET 201 CO 0.12 0.11 0.26 0.21 -0.01 0.00 0.00 175.02 175.71 2uuj s LYS 202 N -0.87 3.18 0.16 2.03 2.20 -1.26 -0.70 119.74 124.48 2uuj s LYS 202 Ca -0.03 -0.86 -0.31 0.00 -0.36 0.00 0.00 55.97 54.40 2uuj s LYS 202 Cb -0.06 -3.87 -0.10 0.00 -1.51 0.00 0.00 37.83 32.29 2uuj s LYS 202 CO 0.00 -0.61 1.63 0.45 -0.36 0.00 0.00 175.35 176.46 2uuj s SER 203 N 1.68 6.54 0.00 1.43 0.15 0.10 -4.86 113.70 118.74 2uuj s SER 203 Ca 0.05 2.66 0.29 0.00 0.70 0.00 0.00 55.95 59.65 2uuj s SER 203 Cb -0.18 -2.59 1.44 0.00 -1.71 0.00 0.00 66.02 62.98 2uuj s SER 203 CO 0.10 -0.87 2.00 -0.81 1.20 0.00 0.00 173.24 174.85 2uuj n PRO 204 N 4.32 0.36 0.03 5.44 -0.04 -1.26 -1.16 135.00 142.69 2uuj n PRO 204 Ca 0.15 0.01 -0.21 0.00 -0.04 0.00 0.00 63.50 63.40 2uuj n PRO 204 Cb 0.38 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.20 2uuj n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2uuj h PHE 204 N 0.00 0.53 0.00 0.54 -1.00 -1.96 -3.41 116.94 111.63 2uuj h PHE 204 Ca 0.00 -0.39 0.00 0.00 2.81 0.00 0.00 57.97 60.39 2uuj h PHE 204 Cb 0.30 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.84 2uuj h PHE 204 CO 0.00 1.50 0.00 0.27 -1.61 0.00 0.00 178.31 178.47 2uuj n ASN 204 N -3.93 1.06 -0.23 2.17 6.94 -1.23 -5.02 115.26 115.03 2uuj n ASN 204 Ca -0.22 -1.45 -0.03 0.00 -0.02 0.00 0.00 54.58 52.87 2uuj n ASN 204 Cb 0.91 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 38.32 2uuj n ASN 204 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2uuj n ASN 205 N -0.22 -3.93 -4.71 0.53 5.15 -0.31 -4.99 115.26 106.78 2uuj n ASN 205 Ca 0.00 0.07 -0.31 0.00 -0.60 0.00 0.00 54.58 53.74 2uuj n ASN 205 Cb 0.28 -1.69 -0.08 0.00 -0.53 0.00 0.00 39.78 37.76 2uuj n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2uuj s ARG 206 N -1.49 2.76 -0.06 1.20 0.52 -1.25 -4.83 118.95 115.79 2uuj s ARG 206 Ca 0.00 -0.69 -0.24 0.00 -0.52 0.00 0.00 55.73 54.28 2uuj s ARG 206 Cb 0.00 -2.66 -0.04 0.00 0.52 0.00 0.00 34.95 32.78 2uuj s ARG 206 CO 0.00 0.59 0.72 -1.58 0.02 0.00 0.00 175.30 175.05 2uuj s TRP 207 N -1.24 3.58 -0.05 -0.53 0.52 -1.26 -0.72 118.94 119.23 2uuj s TRP 207 Ca 0.24 1.28 0.05 0.00 0.02 0.00 0.00 56.10 57.69 2uuj s TRP 207 Cb -0.12 -2.83 -0.02 0.00 -1.15 0.00 0.00 33.47 29.36 2uuj s TRP 207 CO 0.16 0.07 -0.20 0.71 0.02 0.00 0.00 176.95 177.71 2uuj s TYR 208 N 0.84 2.54 -0.52 -1.98 2.02 0.12 -1.93 117.35 118.44 2uuj s TYR 208 Ca 0.38 -0.45 -0.23 0.00 -0.37 0.00 0.00 57.07 56.40 2uuj s TYR 208 Cb -0.18 -1.61 0.04 0.00 -0.40 0.00 0.00 41.96 39.81 2uuj s TYR 208 CO 0.19 -0.04 0.84 -1.14 -1.57 0.00 0.00 175.55 173.83 2uuj s GLN 209 N -0.41 3.31 0.01 -0.62 0.74 0.04 -0.69 119.66 122.04 2uuj s GLN 209 Ca 0.04 -0.35 0.16 0.00 0.05 0.00 0.00 55.36 55.27 2uuj s GLN 209 Cb -0.12 -4.03 -0.18 0.00 1.10 0.00 0.00 33.01 29.78 2uuj s GLN 209 CO 0.02 -1.35 0.70 -1.33 -0.55 0.00 0.00 175.29 172.78 2uuj n MET 210 N 7.03 0.63 -4.11 1.67 2.81 0.12 -4.34 117.12 120.94 2uuj n MET 210 Ca 0.00 0.19 -0.10 0.00 -1.81 0.00 0.00 57.70 55.99 2uuj n MET 210 Cb 0.47 -1.76 -0.09 0.00 -0.71 0.00 0.00 33.22 31.13 2uuj n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2uuj s GLY 211 N -4.91 0.94 -0.05 3.03 0.00 -0.75 -1.72 107.32 103.86 2uuj s GLY 211 Ca -0.04 -1.36 0.04 0.00 0.00 0.00 0.00 44.72 43.36 2uuj s GLY 211 CO 0.82 -1.23 -0.18 -0.42 0.00 0.00 0.00 173.10 172.09 2uuj s ILE 212 N -4.05 1.52 -0.01 0.90 1.01 -0.91 -0.85 121.20 118.81 2uuj s ILE 212 Ca 0.25 -0.76 -0.31 0.00 0.00 0.00 0.00 60.65 59.84 2uuj s ILE 212 Cb 0.06 -1.31 -0.09 0.00 0.01 0.00 0.00 42.46 41.13 2uuj s ILE 212 CO 0.03 0.44 1.99 0.52 0.00 0.00 0.00 174.94 177.92 2uuj n VAL 213 N 3.24 0.70 0.00 2.92 0.31 0.32 -0.89 118.33 124.93 2uuj n VAL 213 Ca -0.19 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 2uuj n VAL 213 Cb 0.53 -2.26 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 2uuj n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2uuj n SER 214 N 7.81 0.00 -4.88 4.52 2.88 -0.26 -0.98 113.62 122.70 2uuj n SER 214 Ca 0.22 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.53 2uuj n SER 214 Cb 0.39 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.81 2uuj n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2uuj s TRP 215 N 2.61 3.25 0.12 0.66 1.48 -1.20 -4.84 118.94 121.03 2uuj s TRP 215 Ca 0.00 -0.05 -0.17 0.00 -1.06 0.00 0.00 56.10 54.82 2uuj s TRP 215 Cb 0.00 -1.49 0.04 0.00 -1.16 0.00 0.00 33.47 30.86 2uuj s TRP 215 CO 0.00 0.49 0.42 0.20 -4.06 0.00 0.00 176.95 174.00 2uuj s GLY 216 N -3.76 -0.31 -0.44 3.67 0.00 -1.26 -0.88 107.32 104.34 2uuj s GLY 216 Ca 0.33 0.04 -0.07 0.00 0.00 0.00 0.00 44.72 45.02 2uuj s GLY 216 CO 0.26 -0.23 0.28 -0.54 0.00 0.00 0.00 173.10 172.87 2uuj s GLU 217 N -3.67 2.37 1.80 2.90 2.02 -1.26 -4.96 118.70 117.91 2uuj s GLU 217 Ca 0.02 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 53.30 2uuj s GLU 217 Cb 0.01 -3.79 0.00 0.00 0.10 0.00 0.00 34.13 30.46 2uuj s GLU 217 CO -0.11 -1.10 0.00 0.41 0.02 0.00 0.00 175.26 174.48 2uuj n GLY 219 N 4.82 -1.35 2.87 -1.39 0.00 -1.26 -4.76 105.19 104.12 2uuj n GLY 219 Ca -0.07 -1.26 -0.14 0.00 0.00 0.00 0.00 46.02 44.54 2uuj n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uuj n ASP 221 N 4.34 -4.77 -4.75 0.00 2.03 -1.26 -4.61 116.55 107.53 2uuj n ASP 221 Ca -0.24 -0.13 -0.40 0.00 0.52 0.00 0.00 54.79 54.54 2uuj n ASP 221 Cb 0.51 -3.95 -0.06 0.00 -0.72 0.00 0.00 41.12 36.91 2uuj n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2uuj s ARG 221 N -5.49 4.82 0.16 -0.67 0.52 -1.26 -4.94 118.95 112.08 2uuj s ARG 221 Ca 0.19 1.51 -0.33 0.00 -0.52 0.00 0.00 55.73 56.59 2uuj s ARG 221 Cb -0.09 -3.29 -0.12 0.00 0.52 0.00 0.00 34.95 31.96 2uuj s ARG 221 CO 0.24 0.45 1.70 -0.25 0.02 0.00 0.00 175.30 177.46 2uuj n ASP 222 N 1.66 3.63 0.00 0.23 8.00 -1.26 -1.91 116.55 126.90 2uuj n ASP 222 Ca -0.01 1.05 0.00 0.00 0.71 0.00 0.00 54.79 56.54 2uuj n ASP 222 Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 2uuj n ASP 222 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2uuj n GLY 223 N 3.83 0.83 3.68 0.44 0.00 -1.26 -5.01 105.19 107.70 2uuj n GLY 223 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 2uuj n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uuj s LYS 224 N -0.23 2.46 0.07 1.61 -0.14 -0.80 -4.77 119.74 117.94 2uuj s LYS 224 Ca 0.00 -1.12 0.04 0.00 -1.36 0.00 0.00 55.97 53.54 2uuj s LYS 224 Cb 0.00 -2.37 -0.03 0.00 -1.68 0.00 0.00 37.83 33.75 2uuj s LYS 224 CO 0.00 0.44 -0.13 0.71 -0.76 0.00 0.00 175.35 175.62 2uuj s TYR 225 N -1.82 1.09 0.33 3.18 1.51 -1.26 -4.73 117.35 115.65 2uuj s TYR 225 Ca 0.28 -0.48 -0.19 0.00 -1.01 0.00 0.00 57.07 55.67 2uuj s TYR 225 Cb -0.09 -0.62 -0.10 0.00 -0.11 0.00 0.00 41.96 41.05 2uuj s TYR 225 CO 0.19 0.03 0.82 0.20 -1.11 0.00 0.00 175.55 175.68 2uuj s GLY 226 N -1.77 2.47 0.01 0.71 0.00 -0.92 -4.66 107.32 103.15 2uuj s GLY 226 Ca -0.03 0.23 0.02 0.00 0.00 0.00 0.00 44.72 44.94 2uuj s GLY 226 CO 0.02 0.52 -0.02 -1.36 0.00 0.00 0.00 173.10 172.26 2uuj s PHE 227 N -1.90 3.02 -0.01 1.90 0.40 -0.06 -1.60 117.98 119.73 2uuj s PHE 227 Ca 0.54 0.04 0.03 0.00 -0.60 0.00 0.00 56.93 56.94 2uuj s PHE 227 Cb -0.12 -1.65 -0.01 0.00 0.51 0.00 0.00 43.02 41.76 2uuj s PHE 227 CO 0.18 0.44 -0.10 0.71 0.70 0.00 0.00 175.22 177.15 2uuj s TYR 228 N -1.08 0.94 0.11 0.36 1.51 0.40 -1.11 117.35 118.49 2uuj s TYR 228 Ca 0.19 -0.19 -0.31 0.00 -1.01 0.00 0.00 57.07 55.76 2uuj s TYR 228 Cb -0.11 -0.61 -0.07 0.00 -0.11 0.00 0.00 41.96 41.05 2uuj s TYR 228 CO 0.10 -0.03 1.28 0.99 -1.11 0.00 0.00 175.55 176.78 2uuj s THR 229 N -0.17 3.61 -0.72 -0.71 2.01 -0.07 -0.91 115.64 118.69 2uuj s THR 229 Ca 0.03 1.19 -0.27 0.00 0.31 0.00 0.00 61.69 62.95 2uuj s THR 229 Cb -0.05 -3.76 0.03 0.00 0.01 0.00 0.00 72.50 68.73 2uuj s THR 229 CO -0.00 0.12 1.29 -2.28 -0.69 0.00 0.00 174.62 173.06 2uuj s HIS 230 N 0.82 2.29 0.15 4.92 2.46 -0.11 -2.15 115.29 123.67 2uuj s HIS 230 Ca 0.60 0.04 -0.15 0.00 0.47 0.00 0.00 55.06 56.01 2uuj s HIS 230 Cb -0.33 -4.59 0.02 0.00 -0.13 0.00 0.00 32.58 27.54 2uuj s HIS 230 CO 0.32 -2.03 1.78 0.28 -2.47 0.00 0.00 174.74 172.61 2uuj h VAL 231 N 6.08 1.14 -0.77 0.89 2.07 -1.63 -2.42 116.25 121.61 2uuj h VAL 231 Ca -0.28 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2uuj h VAL 231 Cb 1.06 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 2uuj h VAL 231 CO 1.27 0.14 0.42 0.15 0.02 0.00 0.00 177.57 179.58 2uuj h PHE 232 N 0.58 1.04 0.00 1.57 3.57 -1.87 -0.39 116.94 121.44 2uuj h PHE 232 Ca 0.16 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 2uuj h PHE 232 Cb 0.01 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 38.41 2uuj h PHE 232 CO -0.03 0.72 -0.02 0.00 -2.23 0.00 0.00 178.31 176.74 2uuj h ARG 233 N 1.07 0.00 -0.46 1.11 3.08 -1.81 -1.17 114.38 116.20 2uuj h ARG 233 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2uuj h ARG 233 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2uuj h ARG 233 CO -0.04 0.02 0.00 1.28 -1.07 0.00 0.00 179.97 180.16 2uuj n LEU 234 N -3.25 3.84 0.15 3.04 4.77 -0.22 -4.66 117.00 120.68 2uuj n LEU 234 Ca -0.02 -2.37 0.00 0.00 -0.03 0.00 0.00 56.01 53.60 2uuj n LEU 234 Cb 0.16 -0.44 0.26 0.00 -2.33 0.00 0.00 43.42 41.07 2uuj n LEU 234 CO 0.24 0.77 0.61 0.50 -1.33 0.00 0.00 177.39 178.18 2uuj h LYS 235 N 2.87 0.03 -0.76 3.23 3.64 -0.51 -1.76 116.57 123.31 2uuj h LYS 235 Ca 0.00 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2uuj h LYS 235 Cb 1.15 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 2uuj h LYS 235 CO 0.13 0.51 0.39 0.87 -2.27 0.00 0.00 179.45 179.08 2uuj h LYS 236 N 0.03 1.06 -0.25 1.90 1.57 -1.83 0.14 116.57 119.19 2uuj h LYS 236 Ca -0.00 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 2uuj h LYS 236 Cb 0.87 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 2uuj h LYS 236 CO 0.06 0.80 -0.00 2.35 -0.57 0.00 0.00 179.45 182.09 2uuj h TRP 237 N 1.06 0.49 -0.48 -1.35 7.01 -1.75 0.06 115.95 120.99 2uuj h TRP 237 Ca 0.26 -0.08 0.08 0.00 2.11 0.00 0.00 58.89 61.26 2uuj h TRP 237 Cb 0.07 -0.13 -0.07 0.00 -2.10 0.00 0.00 29.16 26.93 2uuj h TRP 237 CO 0.01 0.61 0.11 0.82 -2.79 0.00 0.00 178.44 177.20 2uuj h ILE 238 N 0.22 0.75 -0.05 2.65 2.04 -0.93 -0.89 117.51 121.29 2uuj h ILE 238 Ca 0.07 -0.09 -0.13 0.00 1.00 0.00 0.00 64.86 65.72 2uuj h ILE 238 Cb 0.42 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2uuj h ILE 238 CO 0.01 0.05 -0.54 1.56 0.00 0.00 0.00 178.15 179.23 2uuj h GLN 239 N 0.25 0.15 -0.24 2.37 4.20 -0.58 -1.05 115.11 120.21 2uuj h GLN 239 Ca 0.24 -0.09 0.03 0.00 0.06 0.00 0.00 58.65 58.89 2uuj h GLN 239 Cb 0.31 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 2uuj h GLN 239 CO -0.30 0.65 0.05 -0.22 -0.67 0.00 0.00 178.83 178.35 2uuj h LYS 240 N 0.12 0.15 -0.12 1.46 3.64 -0.36 0.69 116.57 122.15 2uuj h LYS 240 Ca -0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2uuj h LYS 240 Cb 0.99 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2uuj h LYS 240 CO 0.08 0.10 0.02 0.28 -2.27 0.00 0.00 179.45 177.66 2uuj h VAL 241 N 0.15 1.21 -0.38 2.00 2.07 -0.89 -1.57 116.25 118.85 2uuj h VAL 241 Ca 0.11 -0.66 -0.11 0.00 0.82 0.00 0.00 66.70 66.85 2uuj h VAL 241 Cb 0.10 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2uuj h VAL 241 CO -0.14 0.19 -0.23 0.40 0.02 0.00 0.00 177.57 177.82 2uuj h ILE 242 N -0.02 1.27 -0.13 4.57 2.04 -1.07 0.76 117.51 124.94 2uuj h ILE 242 Ca 0.04 -1.33 -0.09 0.00 1.00 0.00 0.00 64.86 64.47 2uuj h ILE 242 Cb 0.28 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2uuj h ILE 242 CO 0.00 0.44 -0.34 0.44 0.00 0.00 0.00 178.15 178.70 2uuj h ASP 243 N 0.65 0.26 0.46 1.72 3.45 -0.76 0.57 116.42 122.77 2uuj h ASP 243 Ca 0.09 -0.09 -0.31 0.00 0.43 0.00 0.00 57.03 57.15 2uuj h ASP 243 Cb 0.73 -0.07 0.01 0.00 -0.56 0.00 0.00 39.33 39.44 2uuj h ASP 243 CO 0.06 0.59 -1.41 -0.61 -1.57 0.00 0.00 179.24 176.30 2uuj h GLN 244 N 0.22 0.36 -0.00 3.56 4.15 -0.87 -3.39 115.11 119.14 2uuj h GLN 244 Ca 0.03 -0.61 0.00 0.00 0.77 0.00 0.00 58.65 58.83 2uuj h GLN 244 Cb 0.71 0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.63 2uuj h GLN 244 CO 0.05 1.28 -0.00 1.19 -1.93 0.00 0.00 178.83 179.41 2uuj n PHE 245 N -3.58 0.00 -1.98 3.99 3.01 0.22 -5.04 117.46 114.08 2uuj n PHE 245 Ca -0.14 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.03 2uuj n PHE 245 Cb 1.06 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 40.57 2uuj n PHE 245 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2uuj s GLY 246 N -0.29 1.62 0.00 1.37 0.00 0.20 -5.00 107.32 105.22 2uuj s GLY 246 Ca 0.03 -0.44 0.23 0.00 0.00 0.00 0.00 44.72 44.54 2uuj s GLY 246 CO 0.04 -0.08 1.23 1.18 0.00 0.00 0.00 173.10 175.47