#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmn s VAL 17 N 0.00 5.15 -1.58 1.39 1.01 0.09 -4.21 120.40 122.24 1xmn s VAL 17 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 1xmn s VAL 17 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1xmn s VAL 17 CO 0.00 0.51 0.32 -0.62 0.00 0.00 0.00 175.10 175.30 1xmn n GLU 18 N 2.99 -3.26 0.00 2.72 -0.58 -1.26 -2.23 120.64 119.02 1xmn n GLU 18 Ca -0.17 0.91 0.00 0.00 -0.42 0.00 0.00 57.16 57.48 1xmn n GLU 18 Cb 0.53 -5.60 0.00 0.00 -0.57 0.00 0.00 31.44 25.80 1xmn n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xmn n GLY 19 N -1.28 2.78 3.38 0.62 0.00 -1.26 -4.68 105.19 104.75 1xmn n GLY 19 Ca -0.17 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 43.76 1xmn n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xmn s SER 20 N -0.66 0.04 0.20 1.61 1.04 -0.17 -4.91 113.70 110.85 1xmn s SER 20 Ca 0.00 -1.06 -0.31 0.00 0.48 0.00 0.00 55.95 55.06 1xmn s SER 20 Cb 0.00 0.47 -0.10 0.00 0.10 0.00 0.00 66.02 66.49 1xmn s SER 20 CO 0.00 -0.96 1.51 -1.81 0.98 0.00 0.00 173.24 172.96 1xmn s ASP 21 N -3.05 6.62 0.70 7.02 1.11 -1.26 -0.69 116.67 127.11 1xmn s ASP 21 Ca 0.26 2.64 -0.12 0.00 0.18 0.00 0.00 52.55 55.51 1xmn s ASP 21 Cb 0.03 -2.61 0.01 0.00 1.07 0.00 0.00 42.92 41.43 1xmn s ASP 21 CO 0.07 -0.77 1.07 0.00 1.18 0.00 0.00 175.17 176.72 1xmn s ALA 22 N 0.62 2.56 0.45 5.23 0.00 -0.29 -4.82 121.76 125.51 1xmn s ALA 22 Ca 0.65 0.22 -0.07 0.00 0.00 0.00 0.00 51.96 52.76 1xmn s ALA 22 Cb -0.43 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 1xmn s ALA 22 CO 0.37 -1.31 0.77 -1.21 0.00 0.00 0.00 175.76 174.38 1xmn s GLU 23 N -4.78 3.61 0.17 0.00 2.02 -1.26 -4.94 118.70 113.53 1xmn s GLU 23 Ca 0.60 0.27 -0.32 0.00 0.02 0.00 0.00 54.97 55.55 1xmn s GLU 23 Cb -0.16 -2.39 -0.11 0.00 0.10 0.00 0.00 34.13 31.57 1xmn s GLU 23 CO 0.51 -0.14 1.77 -0.89 0.02 0.00 0.00 175.26 176.54 1xmn n ILE 24 N -1.92 0.16 -0.94 -1.63 2.08 -1.26 -1.78 119.36 114.07 1xmn n ILE 24 Ca 0.01 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.29 1xmn n ILE 24 Cb 0.55 -2.05 0.00 0.00 -0.75 0.00 0.00 39.64 37.39 1xmn n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1xmn n GLY 25 N 4.08 0.47 0.22 7.39 0.00 -1.26 -4.89 105.19 111.21 1xmn n GLY 25 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 1xmn n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1xmn h MET 26 N 1.21 0.00 -2.02 1.61 -1.53 -1.73 -3.31 114.93 109.15 1xmn h MET 26 Ca 0.00 0.00 -0.56 0.00 -3.44 0.00 0.00 59.70 55.70 1xmn h MET 26 Cb 0.20 0.00 -0.39 0.00 -0.55 0.00 0.00 31.60 30.85 1xmn h MET 26 CO 0.00 0.22 -1.05 0.45 0.14 0.00 0.00 176.91 176.67 1xmn n SER 27 N -4.08 0.65 0.09 1.39 2.88 -1.26 -4.98 113.62 108.31 1xmn n SER 27 Ca -0.02 -2.80 0.07 0.00 -1.33 0.00 0.00 58.87 54.79 1xmn n SER 27 Cb 0.29 -0.64 0.34 0.00 -0.75 0.00 0.00 64.21 63.45 1xmn n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1xmn n PRO 28 N 1.28 0.08 -0.11 -1.46 -0.04 -1.25 -1.52 135.00 131.98 1xmn n PRO 28 Ca 0.22 0.53 0.12 0.00 -0.04 0.00 0.00 63.50 64.32 1xmn n PRO 28 Cb 0.52 -1.74 0.28 0.00 -0.04 0.00 0.00 33.50 32.51 1xmn n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1xmn n TRP 29 N -1.92 0.30 -2.10 0.54 2.14 -1.02 -1.82 117.44 113.56 1xmn n TRP 29 Ca -0.00 -0.15 -0.41 0.00 2.07 0.00 0.00 57.50 59.01 1xmn n TRP 29 Cb 0.06 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.53 1xmn n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1xmn s GLN 30 N -1.70 4.32 0.01 -2.67 2.00 -0.58 -0.71 119.66 120.32 1xmn s GLN 30 Ca 0.35 2.19 0.04 0.00 -2.00 0.00 0.00 55.36 55.93 1xmn s GLN 30 Cb 0.20 -3.16 -0.01 0.00 0.80 0.00 0.00 33.01 30.84 1xmn s GLN 30 CO 0.30 -0.37 -0.11 0.08 -0.50 0.00 0.00 175.29 174.68 1xmn s VAL 31 N 0.24 0.89 -0.14 1.34 1.01 -0.26 -4.08 120.40 119.40 1xmn s VAL 31 Ca 0.60 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 1xmn s VAL 31 Cb -0.39 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1xmn s VAL 31 CO 0.39 0.13 0.02 -0.04 0.00 0.00 0.00 175.10 175.61 1xmn s MET 32 N -0.57 3.53 -0.28 2.72 1.00 -0.60 -0.87 119.30 124.22 1xmn s MET 32 Ca 0.03 -0.39 -0.08 0.00 0.00 0.00 0.00 55.69 55.25 1xmn s MET 32 Cb -0.05 -3.00 -0.01 0.00 0.00 0.00 0.00 34.83 31.77 1xmn s MET 32 CO 0.00 0.46 0.10 -1.17 0.00 0.00 0.00 175.02 174.40 1xmn s LEU 33 N -0.18 3.78 0.05 -0.03 0.20 -0.64 -1.69 118.68 120.18 1xmn s LEU 33 Ca 0.06 -0.49 0.06 0.00 0.69 0.00 0.00 54.13 54.44 1xmn s LEU 33 Cb -0.12 -1.93 -0.04 0.00 -0.43 0.00 0.00 46.19 43.67 1xmn s LEU 33 CO 0.02 -0.14 -0.10 -0.36 -0.29 0.00 0.00 176.35 175.47 1xmn s PHE 34 N 1.57 2.76 -0.14 5.38 0.40 0.33 -0.65 117.98 127.63 1xmn s PHE 34 Ca 0.04 -0.13 -0.16 0.00 -0.60 0.00 0.00 56.93 56.08 1xmn s PHE 34 Cb -0.16 -1.51 -0.04 0.00 0.51 0.00 0.00 43.02 41.82 1xmn s PHE 34 CO 0.04 0.37 0.38 0.50 0.70 0.00 0.00 175.22 177.21 1xmn s ARG 35 N -1.76 4.29 0.04 0.44 3.52 0.44 -1.73 118.95 124.20 1xmn s ARG 35 Ca 0.18 0.27 -0.26 0.00 -0.13 0.00 0.00 55.73 55.79 1xmn s ARG 35 Cb -0.11 -3.42 -0.17 0.00 -1.56 0.00 0.00 34.95 29.69 1xmn s ARG 35 CO 0.10 0.21 1.47 0.87 -0.81 0.00 0.00 175.30 177.14 1xmn h LYS 36 N 6.64 -0.36 -2.89 5.12 1.57 -1.38 -2.81 116.57 122.47 1xmn h LYS 36 Ca -0.41 0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.20 1xmn h LYS 36 Cb 1.17 0.08 -0.31 0.00 0.08 0.00 0.00 32.23 33.26 1xmn h LYS 36 CO 0.75 -0.11 -0.49 0.45 -0.57 0.00 0.00 179.45 179.48 1xmn s SER 36 N -5.01 0.03 0.37 0.86 0.15 -1.26 -2.76 113.70 106.08 1xmn s SER 36 Ca -0.15 0.61 -0.25 0.00 0.70 0.00 0.00 55.95 56.86 1xmn s SER 36 Cb 0.03 0.63 -0.09 0.00 -1.71 0.00 0.00 66.02 64.89 1xmn s SER 36 CO 0.61 -0.21 1.07 -2.16 1.20 0.00 0.00 173.24 173.75 1xmn s PRO 37 N 1.93 4.28 -0.02 5.44 0.04 -1.26 -5.06 135.00 140.34 1xmn s PRO 37 Ca -0.04 1.61 -0.38 0.00 0.04 0.00 0.00 61.00 62.23 1xmn s PRO 37 Cb -0.11 -2.72 -0.17 0.00 0.04 0.00 0.00 34.50 31.54 1xmn s PRO 37 CO -0.09 -0.06 1.39 0.94 0.04 0.00 0.00 177.00 179.21 1xmn n GLN 38 N 0.27 0.92 -3.64 4.56 7.27 -1.11 -4.76 117.38 120.89 1xmn n GLN 38 Ca 0.03 0.33 -0.06 0.00 0.07 0.00 0.00 57.00 57.38 1xmn n GLN 38 Cb 0.48 -1.96 -0.07 0.00 2.41 0.00 0.00 30.24 31.10 1xmn n GLN 38 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1xmn s GLU 39 N 1.11 0.41 -0.33 3.69 2.12 -1.06 -4.98 118.70 119.66 1xmn s GLU 39 Ca 0.89 0.54 -0.28 0.00 0.36 0.00 0.00 54.97 56.48 1xmn s GLU 39 Cb -1.05 0.17 0.02 0.00 0.26 0.00 0.00 34.13 33.52 1xmn s GLU 39 CO 0.53 -0.06 1.02 -1.17 -0.54 0.00 0.00 175.26 175.05 1xmn s LEU 40 N 0.52 3.95 -0.16 2.70 2.96 -1.26 -0.42 118.68 126.97 1xmn s LEU 40 Ca 0.00 0.92 -0.16 0.00 -0.22 0.00 0.00 54.13 54.67 1xmn s LEU 40 Cb -0.05 -3.45 -0.23 0.00 0.50 0.00 0.00 46.19 42.96 1xmn s LEU 40 CO -0.10 -0.86 0.36 -0.07 -1.32 0.00 0.00 176.35 174.36 1xmn h LEU 41 N 10.05 0.21 0.00 -0.68 3.38 -1.24 -3.48 115.31 123.54 1xmn h LEU 41 Ca -0.21 -0.73 0.01 0.00 0.09 0.00 0.00 57.88 57.04 1xmn h LEU 41 Cb 1.07 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1xmn h LEU 41 CO 1.01 1.61 0.30 0.00 0.09 0.00 0.00 178.44 181.44 1xmn n GLY 43 N -0.49 2.10 3.79 0.00 0.00 0.16 -1.62 105.19 109.12 1xmn n GLY 43 Ca -0.06 -2.24 -0.00 0.00 0.00 0.00 0.00 46.02 43.72 1xmn n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmn s ALA 44 N -2.71 -2.05 0.03 4.61 0.00 -0.05 -3.79 121.76 117.80 1xmn s ALA 44 Ca 0.55 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.74 1xmn s ALA 44 Cb -0.04 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.68 1xmn s ALA 44 CO 0.35 -1.08 -0.05 -1.54 0.00 0.00 0.00 175.76 173.44 1xmn s SER 45 N -3.26 0.51 -0.28 0.00 1.04 0.10 -1.10 113.70 110.71 1xmn s SER 45 Ca 0.19 -0.53 -0.16 0.00 0.48 0.00 0.00 55.95 55.93 1xmn s SER 45 Cb 0.01 0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 1xmn s SER 45 CO -0.00 -0.26 0.43 -0.22 0.98 0.00 0.00 173.24 174.17 1xmn s LEU 46 N -1.54 4.10 0.00 2.42 2.96 0.11 -0.29 118.68 126.45 1xmn s LEU 46 Ca -0.13 0.30 0.12 0.00 -0.22 0.00 0.00 54.13 54.20 1xmn s LEU 46 Cb -0.10 -2.52 0.01 0.00 0.50 0.00 0.00 46.19 44.09 1xmn s LEU 46 CO -0.01 -0.26 0.73 2.30 -1.32 0.00 0.00 176.35 177.80 1xmn n ILE 47 N 5.17 0.00 -3.87 6.68 -5.35 -0.85 -1.60 119.36 119.55 1xmn n ILE 47 Ca -0.07 -0.40 -0.00 0.00 -0.27 0.00 0.00 62.75 62.02 1xmn n ILE 47 Cb 0.50 1.16 0.01 0.00 -1.74 0.00 0.00 39.64 39.57 1xmn n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1xmn s SER 48 N -1.45 -0.02 0.11 7.28 1.04 -1.21 -4.76 113.70 114.69 1xmn s SER 48 Ca 0.11 -0.38 0.19 0.00 0.48 0.00 0.00 55.95 56.34 1xmn s SER 48 Cb 0.10 0.30 0.79 0.00 0.10 0.00 0.00 66.02 67.31 1xmn s SER 48 CO 0.28 -0.59 1.58 -0.90 0.98 0.00 0.00 173.24 174.59 1xmn n ASP 49 N -0.99 0.30 0.00 7.02 5.75 -1.26 -3.41 116.55 123.96 1xmn n ASP 49 Ca -0.02 0.57 0.00 0.00 -0.01 0.00 0.00 54.79 55.34 1xmn n ASP 49 Cb 0.60 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1xmn n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1xmn n ARG 50 N -1.83 4.70 -5.17 0.11 5.12 -1.26 -0.94 116.66 117.39 1xmn n ARG 50 Ca 0.03 -0.07 -0.29 0.00 -1.93 0.00 0.00 57.85 55.58 1xmn n ARG 50 Cb 0.20 -0.50 -0.16 0.00 -1.16 0.00 0.00 32.46 30.84 1xmn n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1xmn s TRP 51 N -0.69 2.14 -0.06 -1.55 0.52 -1.22 -0.37 118.94 117.71 1xmn s TRP 51 Ca 0.00 -0.45 0.04 0.00 0.02 0.00 0.00 56.10 55.70 1xmn s TRP 51 Cb 0.00 -1.38 0.00 0.00 -1.15 0.00 0.00 33.47 30.94 1xmn s TRP 51 CO 0.00 -0.07 -0.17 0.08 0.02 0.00 0.00 176.95 176.81 1xmn s VAL 52 N -0.46 1.46 -0.09 4.03 1.01 -0.11 -2.00 120.40 124.23 1xmn s VAL 52 Ca 0.06 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 1xmn s VAL 52 Cb -0.10 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1xmn s VAL 52 CO -0.00 0.42 0.07 -0.22 0.00 0.00 0.00 175.10 175.38 1xmn s LEU 53 N 0.28 3.98 0.00 3.92 2.96 0.61 -0.53 118.68 129.90 1xmn s LEU 53 Ca -0.10 0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 54.06 1xmn s LEU 53 Cb -0.14 -1.99 0.02 0.00 0.50 0.00 0.00 46.19 44.58 1xmn s LEU 53 CO 0.04 0.38 0.38 1.07 -1.32 0.00 0.00 176.35 176.90 1xmn n THR 54 N 1.96 0.00 -3.21 3.68 5.66 -0.65 -0.72 114.28 121.00 1xmn n THR 54 Ca -0.19 -0.83 -0.38 0.00 -3.05 0.00 0.00 64.05 59.60 1xmn n THR 54 Cb 0.54 0.62 -0.06 0.00 -1.55 0.00 0.00 70.33 69.88 1xmn n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xmn s ALA 55 N -1.97 3.54 0.44 1.79 0.00 -1.26 -1.55 121.76 122.74 1xmn s ALA 55 Ca 0.13 0.09 0.14 0.00 0.00 0.00 0.00 51.96 52.32 1xmn s ALA 55 Cb -0.02 -2.70 0.97 0.00 0.00 0.00 0.00 23.12 21.37 1xmn s ALA 55 CO 0.10 0.38 1.98 0.00 0.00 0.00 0.00 175.76 178.22 1xmn h ALA 56 N 4.20 1.68 0.00 0.00 0.00 -1.71 -2.96 119.26 120.47 1xmn h ALA 56 Ca -0.49 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 1xmn h ALA 56 Cb 1.21 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1xmn h ALA 56 CO 0.64 0.24 -0.19 1.12 0.00 0.00 0.00 179.25 181.07 1xmn h HIS 57 N 0.04 0.00 -0.14 0.00 2.07 -1.88 0.18 115.15 115.43 1xmn h HIS 57 Ca 0.01 0.00 0.04 0.00 -2.85 0.00 0.00 60.37 57.57 1xmn h HIS 57 Cb 0.32 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.29 1xmn h HIS 57 CO 0.00 0.19 0.12 0.00 -3.07 0.00 0.00 177.93 175.17 1xmn n LEU 59 N -4.19 2.07 -3.65 0.00 4.77 -0.31 -4.93 117.00 110.77 1xmn n LEU 59 Ca 0.00 -0.07 -0.25 0.00 -0.03 0.00 0.00 56.01 55.67 1xmn n LEU 59 Cb 0.24 -0.35 -0.17 0.00 -2.33 0.00 0.00 43.42 40.80 1xmn n LEU 59 CO 0.32 0.69 -0.34 -0.22 -1.33 0.00 0.00 177.39 176.50 1xmn s LEU 60 N -5.81 0.43 0.19 2.23 2.96 0.49 -1.38 118.68 117.79 1xmn s LEU 60 Ca -0.20 -0.45 -0.17 0.00 -0.22 0.00 0.00 54.13 53.10 1xmn s LEU 60 Cb 0.06 -0.28 0.03 0.00 0.50 0.00 0.00 46.19 46.49 1xmn s LEU 60 CO 0.49 -0.31 0.49 -0.47 -1.32 0.00 0.00 176.35 175.24 1xmn s TYR 60 N 2.10 -0.08 0.00 5.38 5.04 0.39 -4.16 117.35 126.01 1xmn s TYR 60 Ca 0.02 -0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.39 1xmn s TYR 60 Cb -0.15 0.34 0.00 0.00 0.35 0.00 0.00 41.96 42.50 1xmn s TYR 60 CO -0.07 -0.88 0.00 -2.30 -1.34 0.00 0.00 175.55 170.95 1xmn n PRO 60 N -0.32 0.00 -0.13 4.97 -0.02 -1.26 -1.92 135.00 136.32 1xmn n PRO 60 Ca -0.10 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.42 1xmn n PRO 60 Cb 0.63 0.00 0.11 0.00 -0.02 0.00 0.00 33.50 34.22 1xmn n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1xmn n TRP 60 N 0.00 0.34 -2.94 6.00 7.02 -1.26 -4.96 117.44 121.64 1xmn n TRP 60 Ca 0.00 -0.49 -0.19 0.00 -1.02 0.00 0.00 57.50 55.80 1xmn n TRP 60 Cb 0.00 -0.03 0.03 0.00 -2.42 0.00 0.00 31.31 28.89 1xmn n TRP 60 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1xmn n ASP 60 N 0.27 -5.55 -4.46 -0.99 4.64 -1.09 -4.99 116.55 104.39 1xmn n ASP 60 Ca 0.09 -0.26 -0.35 0.00 -1.38 0.00 0.00 54.79 52.89 1xmn n ASP 60 Cb 0.38 -4.37 -0.12 0.00 -1.04 0.00 0.00 41.12 35.96 1xmn n ASP 60 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1xmn s LYS 60 N -5.56 3.63 -0.50 -0.67 1.02 -0.81 -5.00 119.74 111.85 1xmn s LYS 60 Ca 0.27 -0.51 0.07 0.00 0.02 0.00 0.00 55.97 55.82 1xmn s LYS 60 Cb -0.12 -3.09 0.21 0.00 -0.52 0.00 0.00 37.83 34.31 1xmn s LYS 60 CO 0.34 0.02 0.77 -1.71 -0.92 0.00 0.00 175.35 173.84 1xmn n ASN 60 N 4.24 -3.07 -4.82 2.83 2.85 -1.25 -0.46 115.26 115.58 1xmn n ASN 60 Ca -0.17 -3.03 -0.33 0.00 -0.11 0.00 0.00 54.58 50.94 1xmn n ASN 60 Cb 0.52 1.64 -0.03 0.00 1.24 0.00 0.00 39.78 43.15 1xmn n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1xmn s PHE 60 N 0.73 3.21 0.27 1.20 0.08 -0.48 -5.03 117.98 117.96 1xmn s PHE 60 Ca 0.31 1.53 0.10 0.00 0.12 0.00 0.00 56.93 58.98 1xmn s PHE 60 Cb 0.09 -2.91 -0.04 0.00 -0.57 0.00 0.00 43.02 39.58 1xmn s PHE 60 CO -0.13 -0.61 -0.02 -0.08 -0.10 0.00 0.00 175.22 174.28 1xmn s THR 60 N -2.37 3.32 0.30 0.64 -1.32 -1.26 -4.94 115.64 110.01 1xmn s THR 60 Ca 0.62 -1.96 0.06 0.00 -1.21 0.00 0.00 61.69 59.21 1xmn s THR 60 Cb -0.13 -2.79 0.30 0.00 -1.51 0.00 0.00 72.50 68.37 1xmn s THR 60 CO 0.27 -0.37 1.73 -0.33 -2.21 0.00 0.00 174.62 173.71 1xmn h GLU 61 N 1.91 0.54 0.00 7.08 3.07 -1.93 -1.50 114.58 123.75 1xmn h GLU 61 Ca -0.44 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 1xmn h GLU 61 Cb 1.25 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 1xmn h GLU 61 CO 0.61 0.36 0.00 0.09 -1.40 0.00 0.00 179.01 178.66 1xmn n ASN 62 N -4.91 0.00 0.08 1.42 5.03 -1.26 -3.11 115.26 112.50 1xmn n ASN 62 Ca 0.24 -0.55 0.12 0.00 0.87 0.00 0.00 54.58 55.26 1xmn n ASN 62 Cb 0.67 -0.14 0.23 0.00 -1.02 0.00 0.00 39.78 39.52 1xmn n ASN 62 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 1xmn h ASP 63 N 0.00 0.00 -2.50 6.41 3.32 -1.67 -3.48 116.42 118.50 1xmn h ASP 63 Ca 0.00 -0.14 -0.55 0.00 0.02 0.00 0.00 57.03 56.37 1xmn h ASP 63 Cb 0.14 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.55 1xmn h ASP 63 CO 0.00 0.07 -0.65 -0.76 -1.72 0.00 0.00 179.24 176.18 1xmn s LEU 64 N -4.43 2.56 0.08 1.55 1.43 -1.18 -1.00 118.68 117.69 1xmn s LEU 64 Ca 0.07 -1.27 -0.14 0.00 -1.03 0.00 0.00 54.13 51.77 1xmn s LEU 64 Cb 0.13 -0.72 0.02 0.00 0.03 0.00 0.00 46.19 45.65 1xmn s LEU 64 CO 0.69 -0.39 0.31 -0.76 0.23 0.00 0.00 176.35 176.43 1xmn s LEU 65 N -3.55 0.83 0.10 1.79 1.43 -0.70 -4.50 118.68 114.08 1xmn s LEU 65 Ca 0.33 -0.32 0.09 0.00 -1.03 0.00 0.00 54.13 53.19 1xmn s LEU 65 Cb 0.06 1.45 -0.03 0.00 0.03 0.00 0.00 46.19 47.69 1xmn s LEU 65 CO 0.15 -0.72 -0.23 0.68 0.23 0.00 0.00 176.35 176.47 1xmn s VAL 66 N -3.23 1.88 -0.07 -1.59 -7.23 -0.99 -0.51 120.40 108.67 1xmn s VAL 66 Ca -0.00 -1.56 0.05 0.00 -1.81 0.00 0.00 61.98 58.67 1xmn s VAL 66 Cb 0.01 -1.68 -0.01 0.00 0.56 0.00 0.00 36.38 35.27 1xmn s VAL 66 CO -0.08 0.03 -0.24 -0.13 -0.31 0.00 0.00 175.10 174.37 1xmn s ARG 67 N -1.83 2.61 0.13 4.82 0.52 -0.68 -1.74 118.95 122.79 1xmn s ARG 67 Ca 0.09 -0.88 0.09 0.00 -0.52 0.00 0.00 55.73 54.51 1xmn s ARG 67 Cb -0.10 -2.15 -0.04 0.00 0.52 0.00 0.00 34.95 33.18 1xmn s ARG 67 CO 0.04 0.32 -0.22 0.42 0.02 0.00 0.00 175.30 175.89 1xmn s ILE 68 N -0.02 1.89 0.00 1.52 1.01 0.98 -1.55 121.20 125.02 1xmn s ILE 68 Ca -0.07 -1.72 0.00 0.00 0.00 0.00 0.00 60.65 58.86 1xmn s ILE 68 Cb -0.15 -1.75 0.00 0.00 0.01 0.00 0.00 42.46 40.57 1xmn s ILE 68 CO 0.05 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.49 1xmn n GLY 69 N 0.78 0.55 3.85 6.18 0.00 -1.26 -0.49 105.19 114.80 1xmn n GLY 69 Ca -0.17 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 1xmn n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xmn s LYS 70 N -0.28 4.02 0.00 1.61 1.02 -1.26 -4.36 119.74 120.48 1xmn s LYS 70 Ca 0.00 0.77 0.00 0.00 0.02 0.00 0.00 55.97 56.76 1xmn s LYS 70 Cb 0.00 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 1xmn s LYS 70 CO 0.00 0.05 0.00 1.58 -0.92 0.00 0.00 175.35 176.06 1xmn n HIS 71 N -0.67 0.00 -3.04 3.18 -0.00 -1.26 -4.91 115.22 108.52 1xmn n HIS 71 Ca 0.04 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.37 1xmn n HIS 71 Cb 0.54 0.05 -0.06 0.00 -0.00 0.00 0.00 29.99 30.52 1xmn n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1xmn s SER 72 N -4.86 7.27 0.41 0.26 0.15 -1.26 -0.55 113.70 115.12 1xmn s SER 72 Ca 0.00 1.51 0.14 0.00 0.70 0.00 0.00 55.95 58.30 1xmn s SER 72 Cb 0.00 -2.46 0.88 0.00 -1.71 0.00 0.00 66.02 62.72 1xmn s SER 72 CO 0.00 0.16 1.90 -0.09 1.20 0.00 0.00 173.24 176.41 1xmn h ARG 73 N 4.80 0.00 0.00 5.44 2.43 0.18 -3.40 114.38 123.83 1xmn h ARG 73 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1xmn h ARG 73 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1xmn h ARG 73 CO 0.67 0.28 -0.86 0.25 -1.51 0.00 0.00 179.97 178.80 1xmn n THR 74 N -4.13 0.00 -1.75 0.20 -2.24 -1.26 -5.07 114.28 100.02 1xmn n THR 74 Ca -0.02 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.39 1xmn n THR 74 Cb 0.34 -0.98 0.07 0.00 -2.10 0.00 0.00 70.33 67.65 1xmn n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xmn s ARG 75 N -1.94 2.56 0.31 -0.78 3.00 -1.26 -4.99 118.95 115.85 1xmn s ARG 75 Ca 0.00 2.05 -0.25 0.00 0.00 0.00 0.00 55.73 57.53 1xmn s ARG 75 Cb 0.00 -1.85 -0.10 0.00 0.00 0.00 0.00 34.95 33.01 1xmn s ARG 75 CO 0.00 -1.58 0.90 -0.47 0.00 0.00 0.00 175.30 174.15 1xmn s TYR 76 N -1.42 3.67 -0.51 -0.53 5.04 -1.26 -4.76 117.35 117.57 1xmn s TYR 76 Ca 0.82 1.70 0.03 0.00 -2.44 0.00 0.00 57.07 57.19 1xmn s TYR 76 Cb -0.37 -2.86 0.14 0.00 0.35 0.00 0.00 41.96 39.22 1xmn s TYR 76 CO 0.39 0.22 0.30 -1.21 -1.34 0.00 0.00 175.55 173.92 1xmn s GLU 77 N -2.10 1.70 0.30 4.97 2.02 -1.26 -5.09 118.70 119.24 1xmn s GLU 77 Ca 0.49 -2.47 -0.28 0.00 0.02 0.00 0.00 54.97 52.73 1xmn s GLU 77 Cb -0.18 -2.78 -0.14 0.00 0.10 0.00 0.00 34.13 31.13 1xmn s GLU 77 CO 0.23 -1.19 1.06 -2.13 0.02 0.00 0.00 175.26 173.25 1xmn n ARG 77 N 3.04 1.50 -1.29 1.61 0.00 -1.26 -2.03 116.66 118.23 1xmn n ARG 77 Ca 0.11 0.53 -0.11 0.00 -0.00 0.00 0.00 57.85 58.38 1xmn n ARG 77 Cb 0.35 -1.94 -0.05 0.00 0.00 0.00 0.00 32.46 30.83 1xmn n ARG 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1xmn n ASN 78 N 1.13 -5.41 0.07 6.15 4.13 -1.26 -4.72 115.26 115.34 1xmn n ASN 78 Ca 0.09 0.27 0.00 0.00 1.68 0.00 0.00 54.58 56.62 1xmn n ASN 78 Cb 0.33 -4.04 0.00 0.00 -1.54 0.00 0.00 39.78 34.52 1xmn n ASN 78 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1xmn n ILE 79 N -2.12 0.79 -2.13 2.41 5.41 -0.86 -5.09 119.36 117.77 1xmn n ILE 79 Ca -0.11 0.26 -0.32 0.00 1.00 0.00 0.00 62.75 63.58 1xmn n ILE 79 Cb 0.57 -1.22 -0.00 0.00 -0.71 0.00 0.00 39.64 38.27 1xmn n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1xmn s GLU 80 N -1.86 3.57 0.05 0.38 -1.05 -0.86 -4.70 118.70 114.22 1xmn s GLU 80 Ca 0.00 1.03 0.01 0.00 -0.15 0.00 0.00 54.97 55.86 1xmn s GLU 80 Cb 0.00 -2.08 -0.03 0.00 -0.44 0.00 0.00 34.13 31.59 1xmn s GLU 80 CO 0.00 -0.59 -0.05 0.15 0.95 0.00 0.00 175.26 175.72 1xmn s LYS 81 N -4.28 0.52 0.11 -4.83 -0.14 0.36 -4.95 119.74 106.53 1xmn s LYS 81 Ca 0.60 -0.91 0.10 0.00 -1.36 0.00 0.00 55.97 54.40 1xmn s LYS 81 Cb -0.13 -0.03 -0.04 0.00 -1.68 0.00 0.00 37.83 35.95 1xmn s LYS 81 CO 0.38 -0.03 -0.23 0.96 -0.76 0.00 0.00 175.35 175.67 1xmn s ILE 82 N -2.34 2.52 0.03 2.17 -4.36 -1.26 -0.01 121.20 117.95 1xmn s ILE 82 Ca -0.05 -1.57 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 1xmn s ILE 82 Cb -0.04 -2.12 -0.02 0.00 1.25 0.00 0.00 42.46 41.54 1xmn s ILE 82 CO -0.03 0.15 -0.03 -0.44 0.24 0.00 0.00 174.94 174.82 1xmn s SER 83 N -1.94 0.35 0.14 4.36 0.01 -0.71 -5.00 113.70 110.91 1xmn s SER 83 Ca 0.15 -0.60 0.02 0.00 1.31 0.00 0.00 55.95 56.84 1xmn s SER 83 Cb -0.10 0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.20 1xmn s SER 83 CO 0.07 -0.35 0.27 -0.04 0.41 0.00 0.00 173.24 173.61 1xmn s MET 84 N -1.93 3.42 -0.09 12.44 -1.94 -1.26 -2.34 119.30 127.60 1xmn s MET 84 Ca -0.11 -0.59 -0.19 0.00 -1.71 0.00 0.00 55.69 53.09 1xmn s MET 84 Cb -0.07 -2.96 -0.04 0.00 2.01 0.00 0.00 34.83 33.77 1xmn s MET 84 CO -0.02 0.53 0.53 -0.51 -0.01 0.00 0.00 175.02 175.53 1xmn s LEU 85 N -3.15 4.30 -0.12 -0.03 1.43 -1.26 -1.14 118.68 118.71 1xmn s LEU 85 Ca 0.34 0.92 -0.14 0.00 -1.03 0.00 0.00 54.13 54.23 1xmn s LEU 85 Cb -0.11 -2.78 -0.26 0.00 0.03 0.00 0.00 46.19 43.07 1xmn s LEU 85 CO 0.28 0.00 0.44 -0.08 0.23 0.00 0.00 176.35 177.23 1xmn h GLU 86 N 6.55 0.22 -2.31 1.70 4.81 -0.31 -3.43 114.58 121.80 1xmn h GLU 86 Ca -0.42 -0.37 -0.07 0.00 -0.13 0.00 0.00 59.36 58.37 1xmn h GLU 86 Cb 1.19 0.14 -0.21 0.00 0.63 0.00 0.00 28.75 30.49 1xmn h GLU 86 CO 0.74 1.18 0.01 0.21 -0.73 0.00 0.00 179.01 180.42 1xmn s LYS 87 N -2.49 0.80 -0.12 1.92 2.47 -1.17 -4.97 119.74 116.17 1xmn s LYS 87 Ca -0.22 0.52 -0.05 0.00 -1.56 0.00 0.00 55.97 54.66 1xmn s LYS 87 Cb 0.05 0.38 -0.04 0.00 -1.46 0.00 0.00 37.83 36.77 1xmn s LYS 87 CO 0.74 -0.17 0.06 0.42 0.16 0.00 0.00 175.35 176.56 1xmn s ILE 88 N -0.36 4.78 -0.26 5.43 1.01 -1.26 -1.56 121.20 128.98 1xmn s ILE 88 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1xmn s ILE 88 Cb -0.03 -3.07 0.08 0.00 0.01 0.00 0.00 42.46 39.44 1xmn s ILE 88 CO 0.04 0.57 0.02 -0.31 0.00 0.00 0.00 174.94 175.26 1xmn s TYR 89 N -0.60 2.12 -0.12 3.97 1.51 0.16 -5.00 117.35 119.40 1xmn s TYR 89 Ca 0.11 -1.75 -0.09 0.00 -1.01 0.00 0.00 57.07 54.33 1xmn s TYR 89 Cb -0.12 -1.69 -0.05 0.00 -0.11 0.00 0.00 41.96 40.00 1xmn s TYR 89 CO 0.02 -0.80 0.20 0.42 -1.11 0.00 0.00 175.55 174.28 1xmn s ILE 90 N 1.48 5.39 0.03 2.71 1.01 -1.26 -0.53 121.20 130.03 1xmn s ILE 90 Ca 0.02 0.34 -0.36 0.00 0.00 0.00 0.00 60.65 60.65 1xmn s ILE 90 Cb -0.18 -3.49 -0.15 0.00 0.01 0.00 0.00 42.46 38.66 1xmn s ILE 90 CO -0.12 0.56 1.58 1.57 0.00 0.00 0.00 174.94 178.53 1xmn n HIS 91 N 2.39 2.01 0.29 3.97 -0.00 -0.99 -4.82 115.22 118.08 1xmn n HIS 91 Ca -0.17 0.37 0.18 0.00 -0.00 0.00 0.00 57.72 58.10 1xmn n HIS 91 Cb 0.54 -2.49 0.94 0.00 -0.00 0.00 0.00 29.99 28.98 1xmn n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1xmn h PRO 92 N 6.27 0.00 -0.28 1.57 0.13 -1.95 -1.41 132.00 136.33 1xmn h PRO 92 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 1xmn h PRO 92 Cb 1.29 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 1xmn h PRO 92 CO 0.87 0.00 -0.01 0.54 -0.23 0.00 0.00 178.00 179.17 1xmn n ARG 93 N -3.25 2.44 -1.81 0.86 1.74 -1.26 -4.99 116.66 110.40 1xmn n ARG 93 Ca -0.01 -2.94 -0.42 0.00 -0.77 0.00 0.00 57.85 53.71 1xmn n ARG 93 Cb 0.29 -1.82 -0.03 0.00 -1.02 0.00 0.00 32.46 29.88 1xmn n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1xmn s TYR 94 N -2.98 1.95 -1.02 -1.55 5.04 -0.53 -4.74 117.35 113.50 1xmn s TYR 94 Ca 0.43 -0.02 -0.12 0.00 -2.44 0.00 0.00 57.07 54.92 1xmn s TYR 94 Cb 0.36 -4.10 0.24 0.00 0.35 0.00 0.00 41.96 38.82 1xmn s TYR 94 CO 0.06 -4.64 1.04 1.21 -1.34 0.00 0.00 175.55 171.87 1xmn s ASN 95 N 3.22 7.10 0.38 4.32 3.84 -0.24 -4.82 114.94 128.74 1xmn s ASN 95 Ca 0.80 -3.19 0.20 0.00 0.21 0.00 0.00 52.86 50.88 1xmn s ASN 95 Cb -0.41 -2.24 0.25 0.00 -0.55 0.00 0.00 41.25 38.30 1xmn s ASN 95 CO 0.36 -0.46 1.55 4.11 -2.79 0.00 0.00 177.10 179.87 1xmn h TRP 96 N 7.16 0.00 0.00 0.43 5.08 -1.91 0.10 115.95 126.82 1xmn h TRP 96 Ca 0.17 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.14 1xmn h TRP 96 Cb 0.93 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.09 1xmn h TRP 96 CO 0.90 0.21 0.00 0.00 -1.28 0.00 0.00 178.44 178.26 1xmn h ARG 97 N 0.00 0.00 0.00 0.12 3.08 -2.00 -3.44 114.38 112.14 1xmn h ARG 97 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xmn h ARG 97 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1xmn h ARG 97 CO 0.03 0.00 0.00 -1.91 -1.07 0.00 0.00 179.97 177.02 1xmn n GLU 97 N -2.87 0.00 -0.04 0.04 2.13 -1.23 -5.02 120.64 113.65 1xmn n GLU 97 Ca 0.02 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.85 1xmn n GLU 97 Cb 0.33 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.06 1xmn n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1xmn n ASN 98 N -1.34 1.53 -1.36 4.31 6.94 -1.24 -5.00 115.26 119.11 1xmn n ASN 98 Ca 0.00 -1.97 -0.13 0.00 -0.02 0.00 0.00 54.58 52.45 1xmn n ASN 98 Cb 0.00 -0.08 -0.02 0.00 -2.36 0.00 0.00 39.78 37.32 1xmn n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1xmn n LEU 99 N -0.52 -1.41 -4.74 -4.53 4.32 0.36 -4.95 117.00 105.53 1xmn n LEU 99 Ca 0.03 0.09 -0.42 0.00 -0.02 0.00 0.00 56.01 55.69 1xmn n LEU 99 Cb 0.39 -2.03 -0.02 0.00 -1.62 0.00 0.00 43.42 40.15 1xmn n LEU 99 CO 0.00 -0.30 1.24 -0.62 -1.22 0.00 0.00 177.39 176.49 1xmn s ASP 100 N -2.54 6.43 -0.98 -1.43 2.15 -1.23 -2.56 116.67 116.51 1xmn s ASP 100 Ca 0.00 2.88 -0.00 0.00 0.43 0.00 0.00 52.55 55.86 1xmn s ASP 100 Cb 0.00 -2.63 -0.00 0.00 -0.30 0.00 0.00 42.92 39.99 1xmn s ASP 100 CO 0.00 -0.88 0.81 0.54 -0.17 0.00 0.00 175.17 175.47 1xmn n ARG 101 N 2.47 -5.29 -2.34 4.34 1.74 -1.26 -1.08 116.66 115.23 1xmn n ARG 101 Ca 0.09 0.69 -0.42 0.00 -0.77 0.00 0.00 57.85 57.44 1xmn n ARG 101 Cb 0.38 -5.24 -0.00 0.00 -1.02 0.00 0.00 32.46 26.57 1xmn n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1xmn n ASP 102 N -2.74 4.60 -3.78 0.55 2.03 -1.06 -4.38 116.55 111.76 1xmn n ASP 102 Ca -0.23 -2.89 -0.13 0.00 0.52 0.00 0.00 54.79 52.06 1xmn n ASP 102 Cb 0.64 -1.72 -0.10 0.00 -0.72 0.00 0.00 41.12 39.22 1xmn n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1xmn s ILE 103 N 4.18 0.04 0.03 5.18 2.07 -1.26 -3.64 121.20 127.79 1xmn s ILE 103 Ca 0.53 -0.32 -0.18 0.00 -1.41 0.00 0.00 60.65 59.27 1xmn s ILE 103 Cb 0.06 -0.50 0.04 0.00 0.13 0.00 0.00 42.46 42.19 1xmn s ILE 103 CO 0.04 -0.17 0.41 0.00 -1.91 0.00 0.00 174.94 173.30 1xmn s ALA 104 N -0.73 -1.01 0.07 1.50 0.00 -0.60 -2.33 121.76 118.66 1xmn s ALA 104 Ca -0.08 0.36 0.09 0.00 0.00 0.00 0.00 51.96 52.33 1xmn s ALA 104 Cb -0.04 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 1xmn s ALA 104 CO 0.02 -0.42 -0.24 -0.51 0.00 0.00 0.00 175.76 174.61 1xmn s LEU 105 N -1.84 2.34 -0.11 0.00 1.43 0.31 -1.64 118.68 119.17 1xmn s LEU 105 Ca -0.07 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1xmn s LEU 105 Cb -0.01 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 44.89 1xmn s LEU 105 CO -0.01 0.24 -0.09 -0.04 0.23 0.00 0.00 176.35 176.68 1xmn s MET 106 N -1.53 1.63 -0.18 1.70 -1.94 0.31 -0.66 119.30 118.64 1xmn s MET 106 Ca 0.13 -0.31 -0.18 0.00 -1.71 0.00 0.00 55.69 53.62 1xmn s MET 106 Cb -0.10 -1.61 -0.03 0.00 2.01 0.00 0.00 34.83 35.09 1xmn s MET 106 CO 0.04 -0.22 0.51 0.21 -0.01 0.00 0.00 175.02 175.56 1xmn s LYS 107 N 1.52 4.23 0.32 2.03 2.20 -0.60 -0.94 119.74 128.50 1xmn s LYS 107 Ca 0.02 0.43 -0.27 0.00 -0.36 0.00 0.00 55.97 55.79 1xmn s LYS 107 Cb -0.13 -3.53 -0.09 0.00 -1.51 0.00 0.00 37.83 32.57 1xmn s LYS 107 CO -0.07 -0.07 1.05 -0.51 -0.36 0.00 0.00 175.35 175.39 1xmn s LEU 108 N 1.38 4.42 0.39 5.43 1.43 0.50 0.39 118.68 132.62 1xmn s LEU 108 Ca 0.25 2.11 0.07 0.00 -1.03 0.00 0.00 54.13 55.53 1xmn s LEU 108 Cb -0.15 -3.84 0.81 0.00 0.03 0.00 0.00 46.19 43.04 1xmn s LEU 108 CO 0.10 -0.20 1.99 0.50 0.23 0.00 0.00 176.35 178.97 1xmn h LYS 109 N 3.39 0.45 -4.90 1.70 3.64 -1.41 -3.42 116.57 116.01 1xmn h LYS 109 Ca -0.47 -0.06 -0.36 0.00 -1.27 0.00 0.00 60.65 58.49 1xmn h LYS 109 Cb 1.21 -0.09 -0.23 0.00 -0.41 0.00 0.00 32.23 32.71 1xmn h LYS 109 CO 0.65 0.39 -0.76 0.15 -2.27 0.00 0.00 179.45 177.61 1xmn s LYS 110 N -5.20 0.69 0.39 1.90 3.01 -1.26 -4.98 119.74 114.30 1xmn s LYS 110 Ca -0.07 -0.71 -0.26 0.00 -1.01 0.00 0.00 55.97 53.92 1xmn s LYS 110 Cb 0.17 -0.61 -0.09 0.00 -1.01 0.00 0.00 37.83 36.29 1xmn s LYS 110 CO 0.74 0.14 1.20 -1.25 0.51 0.00 0.00 175.35 176.68 1xmn s PRO 111 N -1.25 4.09 0.05 -1.68 0.04 -1.26 -4.88 135.00 130.12 1xmn s PRO 111 Ca -0.03 1.91 -0.11 0.00 0.04 0.00 0.00 61.00 62.81 1xmn s PRO 111 Cb -0.08 -2.74 -0.06 0.00 0.04 0.00 0.00 34.50 31.66 1xmn s PRO 111 CO 0.01 -0.31 0.39 0.54 0.04 0.00 0.00 177.00 177.67 1xmn s VAL 112 N -1.36 5.09 -0.06 -0.36 0.11 -0.12 -5.02 120.40 118.69 1xmn s VAL 112 Ca 0.56 0.54 -0.20 0.00 -2.93 0.00 0.00 61.98 59.94 1xmn s VAL 112 Cb -0.33 -3.65 -0.05 0.00 -1.53 0.00 0.00 36.38 30.83 1xmn s VAL 112 CO 0.41 0.37 0.58 0.00 -3.33 0.00 0.00 175.10 173.14 1xmn s ALA 113 N -1.31 3.44 0.69 1.54 0.00 -1.26 -4.75 121.76 120.12 1xmn s ALA 113 Ca 0.30 -0.02 -0.12 0.00 0.00 0.00 0.00 51.96 52.12 1xmn s ALA 113 Cb -0.15 -2.76 0.01 0.00 0.00 0.00 0.00 23.12 20.22 1xmn s ALA 113 CO 0.16 0.05 1.07 -0.06 0.00 0.00 0.00 175.76 176.98 1xmn s PHE 114 N 0.33 2.89 0.00 0.00 0.08 -1.26 -4.88 117.98 115.14 1xmn s PHE 114 Ca 0.31 1.49 0.00 0.00 0.12 0.00 0.00 56.93 58.85 1xmn s PHE 114 Cb -0.17 -2.99 0.00 0.00 -0.57 0.00 0.00 43.02 39.29 1xmn s PHE 114 CO 0.15 -1.40 0.00 -1.13 -0.10 0.00 0.00 175.22 172.74 1xmn n SER 115 N -2.88 0.00 0.16 1.36 3.41 -0.05 -4.93 113.62 110.69 1xmn n SER 115 Ca 0.09 -0.71 0.13 0.00 -0.26 0.00 0.00 58.87 58.12 1xmn n SER 115 Cb 0.53 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 65.00 1xmn n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1xmn h ASP 116 N 0.00 0.00 0.00 4.04 3.32 -1.99 -3.12 116.42 118.68 1xmn h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xmn h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1xmn h ASP 116 CO 0.00 0.00 -0.51 -1.22 -1.72 0.00 0.00 179.24 175.79 1xmn n TYR 117 N -2.42 0.00 -3.94 4.55 4.01 -1.26 -4.80 117.16 113.30 1xmn n TYR 117 Ca 0.02 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.47 1xmn n TYR 117 Cb 0.26 -0.03 -0.16 0.00 -0.31 0.00 0.00 39.34 39.11 1xmn n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1xmn s ILE 118 N -1.86 1.31 -0.25 -0.72 1.01 -1.18 -4.29 121.20 115.22 1xmn s ILE 118 Ca 0.02 -0.70 -0.23 0.00 0.00 0.00 0.00 60.65 59.74 1xmn s ILE 118 Cb 0.06 -1.40 0.07 0.00 0.01 0.00 0.00 42.46 41.19 1xmn s ILE 118 CO 0.33 0.21 0.67 -2.28 0.00 0.00 0.00 174.94 173.87 1xmn s HIS 119 N 1.56 -0.73 0.46 3.97 2.46 -0.75 -0.87 115.29 121.37 1xmn s HIS 119 Ca 0.01 1.79 -0.22 0.00 0.47 0.00 0.00 55.06 57.11 1xmn s HIS 119 Cb -0.15 0.25 -0.09 0.00 -0.13 0.00 0.00 32.58 32.47 1xmn s HIS 119 CO -0.08 -0.36 1.04 -1.25 -2.47 0.00 0.00 174.74 171.62 1xmn s PRO 120 N 0.32 3.92 0.32 2.88 0.04 -1.26 -2.43 135.00 138.80 1xmn s PRO 120 Ca -0.00 1.41 -0.01 0.00 0.04 0.00 0.00 61.00 62.44 1xmn s PRO 120 Cb -0.05 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 1xmn s PRO 120 CO 0.01 -0.33 0.54 0.54 0.04 0.00 0.00 177.00 177.80 1xmn s VAL 121 N -1.87 5.09 0.32 -0.36 0.11 -0.63 -4.93 120.40 118.14 1xmn s VAL 121 Ca 0.64 -0.30 -0.13 0.00 -2.93 0.00 0.00 61.98 59.25 1xmn s VAL 121 Cb -0.18 -3.82 -0.08 0.00 -1.53 0.00 0.00 36.38 30.77 1xmn s VAL 121 CO 0.22 -0.47 0.72 0.00 -3.33 0.00 0.00 175.10 172.23 1xmn s LEU 123 N -3.12 4.39 0.57 0.00 1.43 -1.26 -0.84 118.68 119.86 1xmn s LEU 123 Ca 0.53 0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 53.95 1xmn s LEU 123 Cb -0.10 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 1xmn s LEU 123 CO 0.20 0.38 1.12 -2.16 0.23 0.00 0.00 176.35 176.12 1xmn s PRO 124 N -1.15 3.25 0.42 1.29 0.04 -1.26 -4.93 135.00 132.67 1xmn s PRO 124 Ca 0.17 1.52 0.08 0.00 0.04 0.00 0.00 61.00 62.81 1xmn s PRO 124 Cb -0.12 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1xmn s PRO 124 CO 0.07 -0.92 0.43 0.16 0.04 0.00 0.00 177.00 176.78 1xmn s ASP 125 N -2.03 5.18 0.35 6.66 1.47 -1.26 -4.88 116.67 122.16 1xmn s ASP 125 Ca 0.71 -0.69 0.10 0.00 1.18 0.00 0.00 52.55 53.85 1xmn s ASP 125 Cb -0.22 -0.56 0.84 0.00 -0.34 0.00 0.00 42.92 42.64 1xmn s ASP 125 CO 0.30 -0.70 1.84 -0.09 0.68 0.00 0.00 175.17 177.21 1xmn h ARG 126 N 0.92 0.65 -0.22 2.11 2.43 -1.97 -2.01 114.38 116.28 1xmn h ARG 126 Ca -0.41 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 58.61 1xmn h ARG 126 Cb 1.27 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1xmn h ARG 126 CO 0.54 0.43 -0.29 1.49 -1.51 0.00 0.00 179.97 180.63 1xmn h GLU 127 N 0.66 0.59 -1.11 0.20 4.57 -2.04 -2.37 114.58 115.09 1xmn h GLU 127 Ca 0.49 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1xmn h GLU 127 Cb 0.86 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 1xmn h GLU 127 CO -0.24 0.94 0.00 2.41 -1.18 0.00 0.00 179.01 180.94 1xmn n THR 128 N -4.32 0.11 0.00 0.32 -1.04 -0.76 -1.74 114.28 106.84 1xmn n THR 128 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1xmn n THR 128 Cb 0.47 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 1xmn n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xmn n ALA 129 N 0.69 0.00 0.11 2.41 0.00 -0.89 -1.24 120.51 121.59 1xmn n ALA 129 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1xmn n ALA 129 Cb 0.07 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.55 1xmn n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xmn h SER 129 N 0.00 0.00 0.00 0.00 4.64 -1.62 -3.38 113.55 113.19 1xmn h SER 129 Ca 0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 1xmn h SER 129 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 1xmn h SER 129 CO 0.00 0.72 -2.13 0.18 -0.87 0.00 0.00 176.83 174.73 1xmn n LEU 129 N -3.41 0.17 -4.34 5.97 4.77 -0.37 -4.79 117.00 115.00 1xmn n LEU 129 Ca 0.00 -0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 1xmn n LEU 129 Cb 0.78 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 42.21 1xmn n LEU 129 CO 0.43 0.43 2.12 0.18 -1.33 0.00 0.00 177.39 179.22 1xmn n LEU 130 N -2.64 5.48 -3.99 2.23 4.77 -1.26 -4.84 117.00 116.75 1xmn n LEU 130 Ca -0.27 -4.03 -0.15 0.00 -0.03 0.00 0.00 56.01 51.53 1xmn n LEU 130 Cb 1.03 -1.71 -0.13 0.00 -2.33 0.00 0.00 43.42 40.27 1xmn n LEU 130 CO 0.34 0.46 -0.40 -1.10 -1.33 0.00 0.00 177.39 175.36 1xmn s GLN 131 N 3.71 0.45 0.29 3.23 -0.21 -1.26 -4.93 119.66 120.94 1xmn s GLN 131 Ca 0.51 -0.36 -0.30 0.00 0.02 0.00 0.00 55.36 55.23 1xmn s GLN 131 Cb 0.06 -0.37 -0.13 0.00 1.00 0.00 0.00 33.01 33.58 1xmn s GLN 131 CO 0.03 0.09 1.37 0.00 -2.12 0.00 0.00 175.29 174.67 1xmn n ALA 132 N 2.50 1.32 0.00 6.09 0.00 -1.26 -1.97 120.51 127.19 1xmn n ALA 132 Ca -0.16 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1xmn n ALA 132 Cb 0.57 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1xmn n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xmn n GLY 133 N 1.57 3.05 3.73 0.00 0.00 0.48 -4.94 105.19 109.09 1xmn n GLY 133 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1xmn n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xmn s TYR 134 N -2.59 3.41 0.12 1.61 1.51 -0.83 -4.59 117.35 115.99 1xmn s TYR 134 Ca 0.00 1.36 -0.12 0.00 -1.01 0.00 0.00 57.07 57.30 1xmn s TYR 134 Cb 0.00 -3.45 -0.06 0.00 -0.11 0.00 0.00 41.96 38.33 1xmn s TYR 134 CO 0.00 -1.33 0.48 0.15 -1.11 0.00 0.00 175.55 173.75 1xmn s LYS 135 N 0.08 3.88 0.50 -0.62 1.02 -1.26 -0.66 119.74 122.68 1xmn s LYS 135 Ca 0.55 0.35 0.02 0.00 0.02 0.00 0.00 55.97 56.90 1xmn s LYS 135 Cb -0.33 -2.96 -0.02 0.00 -0.52 0.00 0.00 37.83 34.01 1xmn s LYS 135 CO 0.35 0.52 0.02 0.20 -0.92 0.00 0.00 175.35 175.51 1xmn s GLY 136 N -1.73 2.97 -0.06 -3.33 0.00 0.46 -4.85 107.32 100.77 1xmn s GLY 136 Ca 0.36 -0.52 0.04 0.00 0.00 0.00 0.00 44.72 44.59 1xmn s GLY 136 CO 0.19 -2.15 -0.17 -1.60 0.00 0.00 0.00 173.10 169.37 1xmn s ARG 137 N -3.85 2.02 -0.03 2.90 3.52 0.12 -0.97 118.95 122.67 1xmn s ARG 137 Ca 0.09 -0.61 0.06 0.00 -0.13 0.00 0.00 55.73 55.14 1xmn s ARG 137 Cb 0.02 -1.67 -0.02 0.00 -1.56 0.00 0.00 34.95 31.72 1xmn s ARG 137 CO 0.05 0.17 -0.21 0.08 -0.81 0.00 0.00 175.30 174.57 1xmn s VAL 138 N 0.28 2.46 0.03 7.11 1.01 0.05 -0.69 120.40 130.66 1xmn s VAL 138 Ca -0.10 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.92 1xmn s VAL 138 Cb -0.14 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 1xmn s VAL 138 CO 0.04 0.57 -0.07 0.42 0.00 0.00 0.00 175.10 176.05 1xmn s THR 139 N -0.68 0.51 0.00 3.92 -4.23 -1.24 -1.67 115.64 112.25 1xmn s THR 139 Ca 0.11 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 1xmn s THR 139 Cb -0.10 -0.55 0.00 0.00 1.34 0.00 0.00 72.50 73.19 1xmn s THR 139 CO -0.00 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1xmn n GLY 140 N 1.74 1.02 1.33 3.99 0.00 -0.79 -4.49 105.19 108.00 1xmn n GLY 140 Ca -0.21 -0.85 0.06 0.00 0.00 0.00 0.00 46.02 45.02 1xmn n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xmn n TRP 141 N -0.31 1.46 -1.14 1.61 8.01 -1.26 -1.99 117.44 123.82 1xmn n TRP 141 Ca 0.00 -0.90 -0.16 0.00 -1.31 0.00 0.00 57.50 55.13 1xmn n TRP 141 Cb 0.00 -0.42 0.12 0.00 -2.01 0.00 0.00 31.31 29.00 1xmn n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1xmn n GLY 142 N -0.15 -1.99 3.63 6.99 0.00 -1.26 -4.47 105.19 107.93 1xmn n GLY 142 Ca 0.26 -1.58 -0.47 0.00 0.00 0.00 0.00 46.02 44.23 1xmn n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xmn n ASN 143 N -3.75 2.07 0.11 1.61 5.03 -0.51 -3.05 115.26 116.78 1xmn n ASN 143 Ca 0.09 1.14 0.13 0.00 0.87 0.00 0.00 54.58 56.81 1xmn n ASN 143 Cb 0.32 -1.33 0.39 0.00 -1.02 0.00 0.00 39.78 38.14 1xmn n ASN 143 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1xmn h LEU 144 N 3.75 0.00 -7.44 3.41 3.38 -1.92 -0.73 115.31 115.75 1xmn h LEU 144 Ca -0.44 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 1xmn h LEU 144 Cb 1.31 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.93 1xmn h LEU 144 CO 0.73 0.00 -0.11 -0.54 0.09 0.00 0.00 178.44 178.61 1xmn s LYS 145 N -3.11 1.04 0.08 1.13 3.01 -1.26 -4.31 119.74 116.31 1xmn s LYS 145 Ca 0.10 -0.73 -0.33 0.00 -1.01 0.00 0.00 55.97 54.00 1xmn s LYS 145 Cb 0.12 0.45 -0.13 0.00 -1.01 0.00 0.00 37.83 37.26 1xmn s LYS 145 CO 0.60 -0.40 1.72 -1.91 0.51 0.00 0.00 175.35 175.87 1xmn n GLU 146 N -0.19 2.29 -4.73 1.68 2.13 -1.26 -4.96 120.64 115.60 1xmn n GLU 146 Ca -0.16 0.83 -0.23 0.00 0.66 0.00 0.00 57.16 58.26 1xmn n GLU 146 Cb 0.63 -2.65 -0.15 0.00 0.27 0.00 0.00 31.44 29.55 1xmn n GLU 146 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1xmn s THR 147 N 2.22 1.24 -1.07 6.31 2.01 -1.26 -5.04 115.64 120.06 1xmn s THR 147 Ca 0.84 -0.69 0.10 0.00 0.31 0.00 0.00 61.69 62.25 1xmn s THR 147 Cb -0.64 -1.04 0.03 0.00 0.01 0.00 0.00 72.50 70.86 1xmn s THR 147 CO 0.42 0.34 0.71 0.79 -0.69 0.00 0.00 174.62 176.18 1xmn n TRP 147 N 2.65 0.00 -2.69 4.92 7.02 -1.26 -5.01 117.44 123.08 1xmn n TRP 147 Ca -0.15 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 55.98 1xmn n TRP 147 Cb 0.55 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.38 1xmn n TRP 147 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1xmn s THR 147 N -1.18 4.06 0.48 -0.99 -4.23 -1.26 -4.94 115.64 107.57 1xmn s THR 147 Ca 0.10 1.45 0.41 0.00 -1.18 0.00 0.00 61.69 62.47 1xmn s THR 147 Cb 0.08 -3.69 0.43 0.00 1.34 0.00 0.00 72.50 70.67 1xmn s THR 147 CO 0.21 -0.11 2.25 0.00 -0.54 0.00 0.00 174.62 176.42 1xmn h ALA 147 N 2.29 1.00 -2.05 3.99 0.00 -2.08 -3.55 119.26 118.87 1xmn h ALA 147 Ca -0.48 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.44 1xmn h ALA 147 Cb 1.20 -0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.78 1xmn h ALA 147 CO 0.62 0.00 -0.02 0.54 0.00 0.00 0.00 179.25 180.39 1xmn s ASN 147 N -5.34 -0.94 0.00 0.00 4.22 -1.26 -5.27 114.94 106.34 1xmn s ASN 147 Ca -0.03 1.48 0.00 0.00 -2.14 0.00 0.00 52.86 52.17 1xmn s ASN 147 Cb 0.12 1.46 0.00 0.00 1.28 0.00 0.00 41.25 44.10 1xmn s ASN 147 CO 0.46 -0.23 0.00 0.00 -2.04 0.00 0.00 177.10 175.28 1xmn n GLN 151 N 4.46 0.00 -1.68 3.55 6.02 -1.26 -5.10 117.38 123.36 1xmn n GLN 151 Ca -0.19 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.41 1xmn n GLN 151 Cb 0.57 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.88 1xmn n GLN 151 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1xmn n PRO 152 N -0.86 1.32 0.07 -1.09 -0.04 -1.26 -4.95 135.00 128.18 1xmn n PRO 152 Ca 0.00 0.49 -0.06 0.00 -0.04 0.00 0.00 63.50 63.89 1xmn n PRO 152 Cb 0.00 -2.36 -0.08 0.00 -0.04 0.00 0.00 33.50 31.02 1xmn n PRO 152 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xmn h SER 153 N 1.03 0.00 -4.16 3.54 4.64 -1.97 -3.40 113.55 113.22 1xmn h SER 153 Ca -0.49 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.45 1xmn h SER 153 Cb 1.33 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.24 1xmn h SER 153 CO 0.54 0.93 -0.75 0.68 -0.87 0.00 0.00 176.83 177.37 1xmn s VAL 154 N -2.83 1.18 0.16 0.95 -7.23 -1.26 0.19 120.40 111.55 1xmn s VAL 154 Ca 0.01 -1.69 -0.33 0.00 -1.81 0.00 0.00 61.98 58.15 1xmn s VAL 154 Cb 0.10 -1.47 -0.16 0.00 0.56 0.00 0.00 36.38 35.41 1xmn s VAL 154 CO 0.81 -0.47 1.18 -0.11 -0.31 0.00 0.00 175.10 176.19 1xmn n LEU 155 N 0.53 1.46 -4.82 1.32 7.94 0.29 -4.83 117.00 118.90 1xmn n LEU 155 Ca -0.16 1.14 -0.29 0.00 -1.11 0.00 0.00 56.01 55.60 1xmn n LEU 155 Cb 0.57 -1.20 -0.05 0.00 0.53 0.00 0.00 43.42 43.27 1xmn n LEU 155 CO 0.27 -1.31 -0.22 -1.10 -1.11 0.00 0.00 177.39 173.93 1xmn s GLN 156 N -0.25 3.02 0.01 1.96 -1.52 -0.84 -1.14 119.66 120.89 1xmn s GLN 156 Ca 0.75 -0.71 -0.00 0.00 -1.95 0.00 0.00 55.36 53.45 1xmn s GLN 156 Cb -0.88 -2.77 -0.01 0.00 -0.22 0.00 0.00 33.01 29.14 1xmn s GLN 156 CO 0.52 0.54 -0.01 0.54 -0.25 0.00 0.00 175.29 176.63 1xmn s VAL 157 N -1.56 0.04 -0.14 1.09 0.11 0.13 -1.89 120.40 118.19 1xmn s VAL 157 Ca 0.31 -0.35 -0.12 0.00 -2.93 0.00 0.00 61.98 58.89 1xmn s VAL 157 Cb -0.11 -0.11 0.04 0.00 -1.53 0.00 0.00 36.38 34.66 1xmn s VAL 157 CO 0.24 -0.19 0.37 0.54 -3.33 0.00 0.00 175.10 172.72 1xmn s VAL 158 N -0.56 -0.00 -0.17 2.04 0.11 -0.67 -1.00 120.40 120.15 1xmn s VAL 158 Ca -0.06 0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 58.91 1xmn s VAL 158 Cb -0.04 -0.52 -0.05 0.00 -1.53 0.00 0.00 36.38 34.25 1xmn s VAL 158 CO -0.00 0.00 0.12 0.20 -3.33 0.00 0.00 175.10 172.09 1xmn s ASN 159 N 0.30 6.17 0.01 3.54 0.01 -1.26 -0.77 114.94 122.94 1xmn s ASN 159 Ca -0.01 0.28 0.01 0.00 -0.71 0.00 0.00 52.86 52.43 1xmn s ASN 159 Cb -0.03 -2.05 -0.01 0.00 0.41 0.00 0.00 41.25 39.56 1xmn s ASN 159 CO -0.01 0.25 -0.03 -0.76 -1.51 0.00 0.00 177.10 175.04 1xmn s LEU 160 N -0.08 2.12 0.21 0.60 1.43 -0.15 -4.93 118.68 117.88 1xmn s LEU 160 Ca 0.10 -0.26 -0.26 0.00 -1.03 0.00 0.00 54.13 52.68 1xmn s LEU 160 Cb -0.11 -0.06 -0.09 0.00 0.03 0.00 0.00 46.19 45.96 1xmn s LEU 160 CO 0.00 -0.11 0.83 -2.16 0.23 0.00 0.00 176.35 175.14 1xmn s PRO 161 N -0.72 4.59 0.40 1.29 0.04 -1.26 -0.40 135.00 138.92 1xmn s PRO 161 Ca -0.06 1.21 -0.26 0.00 0.04 0.00 0.00 61.00 61.94 1xmn s PRO 161 Cb -0.05 -3.14 -0.09 0.00 0.04 0.00 0.00 34.50 31.26 1xmn s PRO 161 CO -0.00 0.49 1.22 0.42 0.04 0.00 0.00 177.00 179.17 1xmn s ILE 162 N -1.28 2.94 0.03 0.56 1.01 0.17 -0.76 121.20 123.87 1xmn s ILE 162 Ca 0.40 0.82 0.04 0.00 0.00 0.00 0.00 60.65 61.91 1xmn s ILE 162 Cb -0.22 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 1xmn s ILE 162 CO 0.26 0.10 -0.08 -0.69 0.00 0.00 0.00 174.94 174.53 1xmn s VAL 163 N -1.34 3.55 0.31 2.92 1.01 -0.59 -0.39 120.40 125.87 1xmn s VAL 163 Ca 0.56 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 61.34 1xmn s VAL 163 Cb -0.34 -2.57 -0.13 0.00 0.00 0.00 0.00 36.38 33.34 1xmn s VAL 163 CO 0.43 0.31 1.20 -0.62 0.00 0.00 0.00 175.10 176.42 1xmn n GLU 164 N 1.32 1.82 -0.29 2.72 4.71 -1.26 -4.63 120.64 125.03 1xmn n GLU 164 Ca -0.15 0.64 0.00 0.00 -0.01 0.00 0.00 57.16 57.65 1xmn n GLU 164 Cb 0.52 -2.15 0.13 0.00 -1.01 0.00 0.00 31.44 28.94 1xmn n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1xmn h ARG 165 N 2.51 0.88 -0.73 3.49 2.43 -1.98 -1.08 114.38 119.91 1xmn h ARG 165 Ca -0.44 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 58.69 1xmn h ARG 165 Cb 1.30 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.62 1xmn h ARG 165 CO 0.63 0.58 0.48 -1.35 -1.51 0.00 0.00 179.97 178.80 1xmn h PRO 166 N 0.91 0.95 -0.32 0.20 0.11 -1.99 0.11 132.00 131.96 1xmn h PRO 166 Ca 0.36 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.27 1xmn h PRO 166 Cb 0.19 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 1xmn h PRO 166 CO -0.18 0.63 -0.38 0.28 -0.21 0.00 0.00 178.00 178.14 1xmn h VAL 167 N 0.97 1.29 -0.43 3.15 2.07 -1.71 -1.91 116.25 119.67 1xmn h VAL 167 Ca 0.27 -1.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 1xmn h VAL 167 Cb -0.10 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1xmn h VAL 167 CO -0.06 0.51 0.21 0.00 0.02 0.00 0.00 177.57 178.25 1xmn h LYS 169 N 0.56 0.97 0.00 0.00 3.64 -0.71 -2.72 116.57 118.30 1xmn h LYS 169 Ca 0.15 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1xmn h LYS 169 Cb 0.10 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1xmn h LYS 169 CO -0.02 0.74 0.00 -3.47 -2.27 0.00 0.00 179.45 174.43 1xmn n ASP 170 N -4.48 0.00 -0.06 4.20 4.64 -0.73 -3.30 116.55 116.82 1xmn n ASP 170 Ca 0.05 0.04 0.13 0.00 -1.38 0.00 0.00 54.79 53.64 1xmn n ASP 170 Cb 0.11 -0.34 0.42 0.00 -1.04 0.00 0.00 41.12 40.27 1xmn n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 1xmn n SER 171 N -1.34 0.46 -3.75 1.67 3.41 -0.95 -4.92 113.62 108.20 1xmn n SER 171 Ca 0.12 -0.25 -0.12 0.00 -0.26 0.00 0.00 58.87 58.36 1xmn n SER 171 Cb 0.25 0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.13 1xmn n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1xmn s THR 172 N -2.82 0.08 -1.90 6.66 -1.32 -1.21 -4.86 115.64 110.26 1xmn s THR 172 Ca 0.17 -0.63 0.25 0.00 -1.21 0.00 0.00 61.69 60.28 1xmn s THR 172 Cb 0.19 -0.89 0.19 0.00 -1.51 0.00 0.00 72.50 70.48 1xmn s THR 172 CO 0.59 -0.35 1.41 0.54 -2.21 0.00 0.00 174.62 174.61 1xmn n ARG 173 N 0.69 1.02 -2.53 7.08 1.74 -1.26 -4.87 116.66 118.53 1xmn n ARG 173 Ca -0.19 -0.70 -0.41 0.00 -0.77 0.00 0.00 57.85 55.78 1xmn n ARG 173 Cb 0.59 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.50 1xmn n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xmn s ILE 174 N -2.47 3.77 -0.22 0.55 1.01 -1.26 -4.95 121.20 117.63 1xmn s ILE 174 Ca 0.23 1.63 -0.29 0.00 0.00 0.00 0.00 60.65 62.22 1xmn s ILE 174 Cb 0.19 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1xmn s ILE 174 CO 0.53 0.33 1.66 -0.60 0.00 0.00 0.00 174.94 176.85 1xmn s ARG 175 N -0.79 3.74 0.31 2.79 3.52 -1.26 -5.00 118.95 122.26 1xmn s ARG 175 Ca 0.47 1.68 -0.02 0.00 -0.13 0.00 0.00 55.73 57.72 1xmn s ARG 175 Cb -0.30 -4.07 -0.04 0.00 -1.56 0.00 0.00 34.95 28.98 1xmn s ARG 175 CO 0.37 -1.36 0.54 0.96 -0.81 0.00 0.00 175.30 174.99 1xmn s ILE 176 N 5.44 5.08 0.33 4.11 -4.36 -1.26 -4.84 121.20 125.70 1xmn s ILE 176 Ca 0.74 -0.20 0.03 0.00 -0.26 0.00 0.00 60.65 60.95 1xmn s ILE 176 Cb -0.25 -3.79 -0.05 0.00 1.25 0.00 0.00 42.46 39.62 1xmn s ILE 176 CO 0.30 -0.42 0.09 0.42 0.24 0.00 0.00 174.94 175.58 1xmn s THR 177 N -2.17 0.86 -1.33 8.37 -4.23 -1.26 -5.02 115.64 110.86 1xmn s THR 177 Ca 0.42 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.09 1xmn s THR 177 Cb -0.10 -2.63 0.25 0.00 1.34 0.00 0.00 72.50 71.36 1xmn s THR 177 CO 0.33 0.00 1.49 0.47 -0.54 0.00 0.00 174.62 176.37 1xmn n ASP 178 N -0.82 0.00 -0.62 3.99 8.00 -1.26 -1.93 116.55 123.91 1xmn n ASP 178 Ca -0.03 0.16 0.05 0.00 0.71 0.00 0.00 54.79 55.68 1xmn n ASP 178 Cb 0.66 -0.34 0.14 0.00 -0.02 0.00 0.00 41.12 41.57 1xmn n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1xmn n ASN 179 N -1.34 1.78 -4.26 -2.24 3.02 -1.26 -4.84 115.26 106.12 1xmn n ASN 179 Ca 0.07 -2.01 -0.14 0.00 -0.03 0.00 0.00 54.58 52.46 1xmn n ASN 179 Cb 0.14 -0.23 -0.10 0.00 -0.61 0.00 0.00 39.78 38.98 1xmn n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1xmn s MET 180 N -1.57 1.18 -0.02 3.52 -1.94 -0.81 -0.61 119.30 119.04 1xmn s MET 180 Ca 0.22 -1.59 -0.23 0.00 -1.71 0.00 0.00 55.69 52.38 1xmn s MET 180 Cb 0.11 -0.26 0.05 0.00 2.01 0.00 0.00 34.83 36.74 1xmn s MET 180 CO 0.14 -0.17 0.49 -0.59 -0.01 0.00 0.00 175.02 174.89 1xmn s PHE 181 N -3.68 -0.41 0.21 -0.03 -0.12 -0.55 -4.76 117.98 108.63 1xmn s PHE 181 Ca 0.27 0.66 0.10 0.00 -0.05 0.00 0.00 56.93 57.91 1xmn s PHE 181 Cb 0.06 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 1xmn s PHE 181 CO 0.06 -0.52 -0.10 0.00 -0.05 0.00 0.00 175.22 174.61 1xmn s ALA 183 N -1.95 -0.20 0.00 0.00 0.00 -0.46 -1.55 121.76 117.60 1xmn s ALA 183 Ca 0.27 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1xmn s ALA 183 Cb -0.08 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.26 1xmn s ALA 183 CO 0.16 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.03 1xmn n GLY 184 N 0.95 3.94 3.81 0.00 0.00 0.06 -2.28 105.19 111.67 1xmn n GLY 184 Ca -0.20 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 1xmn n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xmn s TYR 184 N -2.00 3.40 0.51 1.61 2.02 -1.26 -4.53 117.35 117.10 1xmn s TYR 184 Ca 0.00 1.66 -0.08 0.00 -0.37 0.00 0.00 57.07 58.28 1xmn s TYR 184 Cb 0.00 -2.90 -0.04 0.00 -0.40 0.00 0.00 41.96 38.62 1xmn s TYR 184 CO 0.00 -0.09 0.86 0.15 -1.57 0.00 0.00 175.55 174.90 1xmn s LYS 185 N -2.82 3.62 0.33 -0.62 1.02 -1.26 -4.78 119.74 115.23 1xmn s LYS 185 Ca 0.59 0.44 0.08 0.00 0.02 0.00 0.00 55.97 57.10 1xmn s LYS 185 Cb -0.13 -2.28 0.80 0.00 -0.52 0.00 0.00 37.83 35.70 1xmn s LYS 185 CO 0.17 -0.28 1.81 -1.35 -0.92 0.00 0.00 175.35 174.78 1xmn h PRO 186 N 0.30 0.69 -0.10 -1.68 0.11 -1.95 -1.10 132.00 128.27 1xmn h PRO 186 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1xmn h PRO 186 Cb 1.20 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1xmn h PRO 186 CO 0.62 0.46 0.00 -0.40 -0.21 0.00 0.00 178.00 178.47 1xmn n ASP 186 N -4.67 0.69 0.00 -2.05 5.68 -1.26 -3.64 116.55 111.29 1xmn n ASP 186 Ca 0.22 -1.76 0.10 0.00 -0.50 0.00 0.00 54.79 52.85 1xmn n ASP 186 Cb 0.57 -0.07 -0.04 0.00 -1.14 0.00 0.00 41.12 40.45 1xmn n ASP 186 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1xmn n GLU 186 N -0.23 0.00 0.00 0.11 1.02 -0.42 -5.02 120.64 116.11 1xmn n GLU 186 Ca 0.10 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1xmn n GLU 186 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1xmn n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xmn n GLY 186 N 1.50 1.92 3.57 0.62 0.00 -1.24 -4.98 105.19 106.59 1xmn n GLY 186 Ca 0.04 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1xmn n GLY 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xmn n LYS 186 N 0.00 -0.40 -3.93 1.61 5.02 -1.26 -5.05 118.16 114.15 1xmn n LYS 186 Ca 0.00 -0.06 -0.21 0.00 -2.02 0.00 0.00 58.31 56.02 1xmn n LYS 186 Cb 0.00 -2.18 -0.06 0.00 -0.02 0.00 0.00 35.03 32.77 1xmn n LYS 186 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1xmn n ARG 187 N -3.30 0.74 0.00 1.97 1.74 -1.26 -4.73 116.66 111.82 1xmn n ARG 187 Ca 0.10 -2.75 0.00 0.00 -0.77 0.00 0.00 57.85 54.43 1xmn n ARG 187 Cb 0.53 1.33 0.00 0.00 -1.02 0.00 0.00 32.46 33.30 1xmn n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xmn n GLY 188 N -0.05 4.51 3.62 -0.13 0.00 -1.26 -4.92 105.19 106.97 1xmn n GLY 188 Ca -0.07 -1.23 -0.02 0.00 0.00 0.00 0.00 46.02 44.70 1xmn n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xmn s ASP 189 N 0.00 -0.13 0.77 1.61 2.15 -0.95 -4.65 116.67 115.46 1xmn s ASP 189 Ca 0.00 -0.12 -0.04 0.00 0.43 0.00 0.00 52.55 52.82 1xmn s ASP 189 Cb 0.00 0.23 0.14 0.00 -0.30 0.00 0.00 42.92 42.99 1xmn s ASP 189 CO 0.00 -0.41 1.06 0.00 -0.17 0.00 0.00 175.17 175.64 1xmn s ALA 190 N -2.64 3.44 0.37 3.66 0.00 -1.26 -0.73 121.76 124.59 1xmn s ALA 190 Ca 0.11 -1.64 -0.16 0.00 0.00 0.00 0.00 51.96 50.28 1xmn s ALA 190 Cb 0.01 -2.15 0.05 0.00 0.00 0.00 0.00 23.12 21.04 1xmn s ALA 190 CO -0.04 -1.64 0.77 0.00 0.00 0.00 0.00 175.76 174.85 1xmn n GLU 192 N -0.52 1.60 0.00 0.00 4.71 -1.26 -1.11 120.64 124.07 1xmn n GLU 192 Ca -0.07 0.56 0.00 0.00 -0.01 0.00 0.00 57.16 57.64 1xmn n GLU 192 Cb 0.60 -2.01 0.00 0.00 -1.01 0.00 0.00 31.44 29.02 1xmn n GLU 192 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xmn n GLY 193 N 1.07 3.37 0.07 0.62 0.00 -1.26 -1.43 105.19 107.62 1xmn n GLY 193 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1xmn n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xmn h ASP 194 N 0.00 0.00 -2.79 1.61 3.32 -1.44 -3.36 116.42 113.76 1xmn h ASP 194 Ca 0.00 -0.22 -0.59 0.00 0.02 0.00 0.00 57.03 56.24 1xmn h ASP 194 Cb 0.00 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.68 1xmn h ASP 194 CO 0.00 0.11 0.04 -1.20 -1.72 0.00 0.00 179.24 176.46 1xmn n SER 195 N -2.14 0.80 0.00 6.45 7.64 -1.26 -1.69 113.62 123.42 1xmn n SER 195 Ca 0.03 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.94 1xmn n SER 195 Cb 0.45 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 1xmn n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xmn n GLY 196 N 1.32 3.18 3.74 0.23 0.00 -0.78 0.40 105.19 113.28 1xmn n GLY 196 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1xmn n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xmn s GLY 197 N -1.88 2.05 0.22 -0.02 0.00 -0.68 -2.87 107.32 104.14 1xmn s GLY 197 Ca 0.00 0.61 -0.12 0.00 0.00 0.00 0.00 44.72 45.22 1xmn s GLY 197 CO 0.00 0.99 0.58 2.56 0.00 0.00 0.00 173.10 177.23 1xmn s PRO 198 N -4.28 3.88 -0.34 2.90 0.04 -1.26 -1.27 135.00 134.66 1xmn s PRO 198 Ca 0.68 0.38 -0.06 0.00 0.04 0.00 0.00 61.00 62.05 1xmn s PRO 198 Cb -0.23 -2.68 0.05 0.00 0.04 0.00 0.00 34.50 31.67 1xmn s PRO 198 CO 0.48 0.33 0.11 0.12 0.04 0.00 0.00 177.00 178.08 1xmn s PHE 199 N -1.76 3.28 0.26 0.56 2.19 -0.19 -3.59 117.98 118.73 1xmn s PHE 199 Ca 0.46 -1.52 0.10 0.00 0.33 0.00 0.00 56.93 56.29 1xmn s PHE 199 Cb -0.12 -2.35 -0.04 0.00 -1.31 0.00 0.00 43.02 39.20 1xmn s PHE 199 CO 0.20 -0.76 -0.02 0.14 1.83 0.00 0.00 175.22 176.61 1xmn s VAL 200 N 1.38 3.39 0.00 3.12 -7.23 0.14 -1.00 120.40 120.20 1xmn s VAL 200 Ca -0.01 -1.90 -0.01 0.00 -1.81 0.00 0.00 61.98 58.25 1xmn s VAL 200 Cb -0.20 -2.80 -0.00 0.00 0.56 0.00 0.00 36.38 33.94 1xmn s VAL 200 CO 0.02 -0.35 0.01 -0.04 -0.31 0.00 0.00 175.10 174.43 1xmn s MET 201 N -3.57 0.10 -0.33 4.82 -1.94 -0.39 0.16 119.30 118.14 1xmn s MET 201 Ca 0.31 -0.13 -0.13 0.00 -1.71 0.00 0.00 55.69 54.02 1xmn s MET 201 Cb -0.07 0.04 -0.02 0.00 2.01 0.00 0.00 34.83 36.79 1xmn s MET 201 CO 0.19 -0.02 0.28 0.21 -0.01 0.00 0.00 175.02 175.68 1xmn s LYS 202 N -0.37 3.59 0.06 2.03 2.20 -1.26 -0.76 119.74 125.23 1xmn s LYS 202 Ca -0.04 -0.51 -0.31 0.00 -0.36 0.00 0.00 55.97 54.75 1xmn s LYS 202 Cb -0.03 -3.79 -0.09 0.00 -1.51 0.00 0.00 37.83 32.42 1xmn s LYS 202 CO -0.00 -0.44 1.75 0.45 -0.36 0.00 0.00 175.35 176.75 1xmn s SER 203 N 1.73 6.54 0.00 1.43 0.15 0.06 -4.85 113.70 118.75 1xmn s SER 203 Ca 0.08 2.56 0.24 0.00 0.70 0.00 0.00 55.95 59.53 1xmn s SER 203 Cb -0.17 -2.56 1.41 0.00 -1.71 0.00 0.00 66.02 63.00 1xmn s SER 203 CO 0.11 -0.95 1.90 -0.81 1.20 0.00 0.00 173.24 174.69 1xmn n PRO 204 N 6.10 0.98 -0.09 5.44 -0.04 -1.26 -1.17 135.00 144.96 1xmn n PRO 204 Ca 0.17 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.44 1xmn n PRO 204 Cb 0.40 -1.38 -0.13 0.00 -0.04 0.00 0.00 33.50 32.36 1xmn n PRO 204 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1xmn n PHE 204 N -0.88 0.41 -0.38 0.54 3.72 -1.26 -4.67 117.46 114.94 1xmn n PHE 204 Ca 0.18 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.67 1xmn n PHE 204 Cb 0.08 -1.05 0.00 0.00 -0.94 0.00 0.00 39.48 37.57 1xmn n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1xmn n ASN 204 N -3.39 1.31 -0.18 4.37 2.04 -1.23 -5.01 115.26 113.18 1xmn n ASN 204 Ca -0.42 -1.69 -0.02 0.00 -0.44 0.00 0.00 54.58 52.01 1xmn n ASN 204 Cb 1.00 -0.01 -0.01 0.00 -2.53 0.00 0.00 39.78 38.23 1xmn n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1xmn n ASN 205 N -0.35 -4.99 -4.93 0.53 5.15 -0.32 -4.99 115.26 105.36 1xmn n ASN 205 Ca 0.00 0.06 -0.29 0.00 -0.60 0.00 0.00 54.58 53.75 1xmn n ASN 205 Cb 0.35 -2.69 -0.04 0.00 -0.53 0.00 0.00 39.78 36.87 1xmn n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1xmn s ARG 206 N -1.66 3.44 -0.07 1.20 0.52 -1.25 -4.81 118.95 116.33 1xmn s ARG 206 Ca 0.00 -0.51 -0.19 0.00 -0.52 0.00 0.00 55.73 54.51 1xmn s ARG 206 Cb 0.00 -3.01 -0.05 0.00 0.52 0.00 0.00 34.95 32.42 1xmn s ARG 206 CO 0.00 0.57 0.53 -1.58 0.02 0.00 0.00 175.30 174.84 1xmn s TRP 207 N -1.61 3.59 -0.04 -0.53 0.52 -1.26 -0.76 118.94 118.85 1xmn s TRP 207 Ca 0.35 1.03 0.07 0.00 0.02 0.00 0.00 56.10 57.57 1xmn s TRP 207 Cb -0.12 -2.57 -0.01 0.00 -1.15 0.00 0.00 33.47 29.61 1xmn s TRP 207 CO 0.28 0.26 -0.24 0.71 0.02 0.00 0.00 176.95 177.98 1xmn s TYR 208 N 0.24 2.27 -0.46 -1.98 2.02 0.06 -2.19 117.35 117.31 1xmn s TYR 208 Ca 0.29 -0.58 -0.22 0.00 -0.37 0.00 0.00 57.07 56.18 1xmn s TYR 208 Cb -0.16 -1.48 0.03 0.00 -0.40 0.00 0.00 41.96 39.94 1xmn s TYR 208 CO 0.14 -0.14 0.76 -1.14 -1.57 0.00 0.00 175.55 173.59 1xmn s GLN 209 N -0.31 3.35 0.06 -0.62 0.74 -0.02 -1.26 119.66 121.59 1xmn s GLN 209 Ca 0.02 -0.24 0.19 0.00 0.05 0.00 0.00 55.36 55.38 1xmn s GLN 209 Cb -0.12 -3.97 -0.14 0.00 1.10 0.00 0.00 33.01 29.88 1xmn s GLN 209 CO 0.02 -1.14 0.75 -1.33 -0.55 0.00 0.00 175.29 173.04 1xmn n MET 210 N 6.66 0.63 -4.10 1.67 2.81 -0.17 -4.34 117.12 120.28 1xmn n MET 210 Ca 0.01 0.10 -0.11 0.00 -1.81 0.00 0.00 57.70 55.89 1xmn n MET 210 Cb 0.48 -1.74 -0.07 0.00 -0.71 0.00 0.00 33.22 31.18 1xmn n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1xmn s GLY 211 N -4.69 1.04 -0.08 3.03 0.00 -0.81 -2.05 107.32 103.75 1xmn s GLY 211 Ca -0.04 -1.32 0.01 0.00 0.00 0.00 0.00 44.72 43.38 1xmn s GLY 211 CO 0.82 -1.02 -0.10 -0.42 0.00 0.00 0.00 173.10 172.39 1xmn s ILE 212 N -4.02 1.05 -0.04 0.90 1.01 -0.97 -1.02 121.20 118.11 1xmn s ILE 212 Ca 0.31 -0.37 -0.35 0.00 0.00 0.00 0.00 60.65 60.23 1xmn s ILE 212 Cb 0.03 -1.00 -0.13 0.00 0.01 0.00 0.00 42.46 41.36 1xmn s ILE 212 CO 0.11 0.35 1.75 0.52 0.00 0.00 0.00 174.94 177.68 1xmn n VAL 213 N 4.29 0.36 0.02 2.92 0.31 -0.40 -0.71 118.33 125.14 1xmn n VAL 213 Ca -0.19 -0.07 -0.01 0.00 -0.01 0.00 0.00 64.34 64.06 1xmn n VAL 213 Cb 0.51 -1.63 -0.00 0.00 -0.91 0.00 0.00 33.84 31.80 1xmn n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1xmn n SER 214 N 5.41 0.90 -3.14 4.52 2.88 -0.68 -1.87 113.62 121.62 1xmn n SER 214 Ca 0.21 0.12 -0.09 0.00 -1.33 0.00 0.00 58.87 57.79 1xmn n SER 214 Cb 0.26 -0.29 0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1xmn n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1xmn s TRP 215 N -2.06 0.11 0.00 0.66 1.48 -1.00 -4.93 118.94 113.20 1xmn s TRP 215 Ca -0.03 -0.72 -0.01 0.00 -1.06 0.00 0.00 56.10 54.28 1xmn s TRP 215 Cb 0.01 0.76 0.00 0.00 -1.16 0.00 0.00 33.47 33.08 1xmn s TRP 215 CO 0.04 -1.48 0.07 0.41 -4.06 0.00 0.00 176.95 171.92 1xmn n GLY 216 N -0.52 0.92 2.57 3.67 0.00 -1.26 -0.47 105.19 110.11 1xmn n GLY 216 Ca -0.07 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 1xmn n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xmn s GLU 217 N -2.00 0.22 1.44 1.61 2.02 -1.26 -5.05 118.70 115.68 1xmn s GLU 217 Ca 0.02 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.50 1xmn s GLU 217 Cb -0.00 -1.34 0.00 0.00 0.10 0.00 0.00 34.13 32.89 1xmn s GLU 217 CO 0.00 -0.96 0.00 0.41 0.02 0.00 0.00 175.26 174.73 1xmn n GLY 219 N 5.22 -1.76 2.88 -1.39 0.00 -1.26 -4.83 105.19 104.06 1xmn n GLY 219 Ca -0.06 -1.35 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 1xmn n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmn n ASP 221 N 4.39 -5.90 -4.82 0.00 2.03 -1.26 -4.60 116.55 106.38 1xmn n ASP 221 Ca -0.23 -0.31 -0.36 0.00 0.52 0.00 0.00 54.79 54.41 1xmn n ASP 221 Cb 0.51 -4.77 -0.06 0.00 -0.72 0.00 0.00 41.12 36.08 1xmn n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1xmn s ARG 221 N -5.76 4.22 0.25 -0.67 0.52 -1.26 -4.92 118.95 111.32 1xmn s ARG 221 Ca 0.33 0.81 -0.31 0.00 -0.52 0.00 0.00 55.73 56.04 1xmn s ARG 221 Cb -0.15 -2.92 -0.11 0.00 0.52 0.00 0.00 34.95 32.29 1xmn s ARG 221 CO 0.40 0.43 1.58 -0.51 0.02 0.00 0.00 175.30 177.22 1xmn s ASP 222 N -1.62 6.47 0.00 0.23 1.01 -1.26 -1.84 116.67 119.66 1xmn s ASP 222 Ca 0.41 2.82 0.00 0.00 0.71 0.00 0.00 52.55 56.49 1xmn s ASP 222 Cb -0.17 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.14 1xmn s ASP 222 CO 0.21 -0.87 0.00 0.61 0.21 0.00 0.00 175.17 175.33 1xmn n GLY 223 N 2.76 0.70 3.50 0.21 0.00 -1.26 -5.02 105.19 106.08 1xmn n GLY 223 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1xmn n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xmn s LYS 224 N -0.02 1.80 0.03 1.61 -0.14 -0.76 -4.79 119.74 117.46 1xmn s LYS 224 Ca 0.00 -1.32 0.02 0.00 -1.36 0.00 0.00 55.97 53.31 1xmn s LYS 224 Cb 0.00 -2.05 -0.02 0.00 -1.68 0.00 0.00 37.83 34.08 1xmn s LYS 224 CO 0.00 0.44 -0.06 0.71 -0.76 0.00 0.00 175.35 175.68 1xmn s TYR 225 N -1.50 0.55 0.32 3.18 1.51 -1.26 -4.71 117.35 115.43 1xmn s TYR 225 Ca 0.21 -0.48 -0.27 0.00 -1.01 0.00 0.00 57.07 55.52 1xmn s TYR 225 Cb -0.09 -0.34 -0.10 0.00 -0.11 0.00 0.00 41.96 41.33 1xmn s TYR 225 CO 0.12 -0.11 0.98 0.20 -1.11 0.00 0.00 175.55 175.63 1xmn s GLY 226 N -1.47 2.88 -0.02 0.71 0.00 -0.96 -4.70 107.32 103.74 1xmn s GLY 226 Ca -0.11 0.62 0.02 0.00 0.00 0.00 0.00 44.72 45.24 1xmn s GLY 226 CO 0.00 1.10 -0.04 -1.36 0.00 0.00 0.00 173.10 172.80 1xmn s PHE 227 N -1.50 2.99 0.05 1.90 0.40 0.38 -1.35 117.98 120.86 1xmn s PHE 227 Ca 0.49 0.04 0.05 0.00 -0.60 0.00 0.00 56.93 56.92 1xmn s PHE 227 Cb -0.22 -1.67 -0.02 0.00 0.51 0.00 0.00 43.02 41.61 1xmn s PHE 227 CO 0.28 0.40 -0.15 0.71 0.70 0.00 0.00 175.22 177.16 1xmn s TYR 228 N -0.97 1.29 0.16 0.36 1.51 0.75 -1.69 117.35 118.74 1xmn s TYR 228 Ca 0.16 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.53 1xmn s TYR 228 Cb -0.11 -0.75 -0.08 0.00 -0.11 0.00 0.00 41.96 40.91 1xmn s TYR 228 CO 0.06 0.05 1.32 0.99 -1.11 0.00 0.00 175.55 176.87 1xmn s THR 229 N -0.98 3.34 -0.93 -0.71 2.01 0.12 -1.49 115.64 117.00 1xmn s THR 229 Ca 0.01 1.04 -0.24 0.00 0.31 0.00 0.00 61.69 62.81 1xmn s THR 229 Cb -0.09 -3.67 0.04 0.00 0.01 0.00 0.00 72.50 68.80 1xmn s THR 229 CO 0.02 0.12 1.45 -2.28 -0.69 0.00 0.00 174.62 173.24 1xmn s HIS 230 N 0.52 2.40 0.14 4.92 2.46 0.22 -2.29 115.29 123.64 1xmn s HIS 230 Ca 0.59 -0.50 -0.20 0.00 0.47 0.00 0.00 55.06 55.43 1xmn s HIS 230 Cb -0.36 -4.63 0.02 0.00 -0.13 0.00 0.00 32.58 27.49 1xmn s HIS 230 CO 0.35 -1.98 1.68 0.28 -2.47 0.00 0.00 174.74 172.60 1xmn h VAL 231 N 6.62 0.67 -0.79 0.89 2.07 -1.73 -2.67 116.25 121.32 1xmn h VAL 231 Ca 0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.61 1xmn h VAL 231 Cb 1.02 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 1xmn h VAL 231 CO 1.37 0.00 0.49 0.15 0.02 0.00 0.00 177.57 179.60 1xmn h PHE 232 N -0.05 0.92 -0.22 1.57 3.57 -1.86 -1.19 116.94 119.67 1xmn h PHE 232 Ca 0.13 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.72 1xmn h PHE 232 Cb 0.25 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1xmn h PHE 232 CO -0.28 0.51 0.17 0.00 -2.23 0.00 0.00 178.31 176.48 1xmn h ARG 233 N 0.95 0.00 -0.38 1.11 2.47 -1.85 -1.84 114.38 114.85 1xmn h ARG 233 Ca 0.32 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.04 1xmn h ARG 233 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1xmn h ARG 233 CO -0.13 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.68 1xmn n LEU 234 N -4.32 3.57 0.22 3.04 4.77 -0.56 -4.63 117.00 119.10 1xmn n LEU 234 Ca 0.02 -2.41 0.06 0.00 -0.03 0.00 0.00 56.01 53.65 1xmn n LEU 234 Cb 0.31 -0.40 0.51 0.00 -2.33 0.00 0.00 43.42 41.51 1xmn n LEU 234 CO 0.34 0.73 0.87 0.50 -1.33 0.00 0.00 177.39 178.50 1xmn h LYS 235 N 2.34 0.00 -0.84 3.23 3.64 -0.37 -2.21 116.57 122.35 1xmn h LYS 235 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1xmn h LYS 235 Cb 1.09 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.87 1xmn h LYS 235 CO 0.11 0.22 0.42 0.87 -2.27 0.00 0.00 179.45 178.80 1xmn h LYS 236 N 0.00 1.20 -0.16 1.90 6.56 -1.82 0.27 116.57 124.52 1xmn h LYS 236 Ca -0.00 -0.17 -0.03 0.00 -1.06 0.00 0.00 60.65 59.39 1xmn h LYS 236 Cb 0.41 -0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 31.84 1xmn h LYS 236 CO 0.03 0.91 -0.01 2.35 -2.06 0.00 0.00 179.45 180.66 1xmn h TRP 237 N 1.18 0.33 -0.33 -1.35 7.01 -1.77 -1.65 115.95 119.38 1xmn h TRP 237 Ca 0.29 -0.06 0.05 0.00 2.11 0.00 0.00 58.89 61.28 1xmn h TRP 237 Cb 0.10 -0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.02 1xmn h TRP 237 CO 0.01 0.54 0.02 0.82 -2.79 0.00 0.00 178.44 177.04 1xmn h ILE 238 N 0.03 0.79 -0.71 2.65 2.04 -1.04 -1.61 117.51 119.66 1xmn h ILE 238 Ca 0.04 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1xmn h ILE 238 Cb 0.41 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1xmn h ILE 238 CO 0.01 0.02 0.24 -0.61 0.00 0.00 0.00 178.15 177.81 1xmn h GLN 239 N 0.13 1.08 -0.81 2.37 5.75 -0.93 -2.24 115.11 120.46 1xmn h GLN 239 Ca 0.16 -0.22 0.05 0.00 -0.15 0.00 0.00 58.65 58.48 1xmn h GLN 239 Cb 0.20 -0.16 -0.06 0.00 1.07 0.00 0.00 27.48 28.53 1xmn h GLN 239 CO -0.24 0.92 0.51 -0.22 -2.65 0.00 0.00 178.83 177.15 1xmn h LYS 240 N 1.03 0.93 -0.11 1.69 3.64 -0.75 0.94 116.57 123.93 1xmn h LYS 240 Ca 0.23 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1xmn h LYS 240 Cb 0.27 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1xmn h LYS 240 CO -0.01 0.61 -0.08 0.28 -2.27 0.00 0.00 179.45 177.98 1xmn h VAL 241 N 0.95 1.34 -0.52 2.00 2.07 -1.08 -0.91 116.25 120.11 1xmn h VAL 241 Ca 0.34 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 1xmn h VAL 241 Cb 0.10 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 1xmn h VAL 241 CO -0.15 0.34 0.19 0.40 0.02 0.00 0.00 177.57 178.37 1xmn h ILE 242 N -0.13 1.20 -0.16 4.57 2.04 -1.17 0.96 117.51 124.81 1xmn h ILE 242 Ca 0.02 -0.64 -0.16 0.00 1.00 0.00 0.00 64.86 65.08 1xmn h ILE 242 Cb 0.58 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1xmn h ILE 242 CO 0.02 0.25 -0.51 0.44 0.00 0.00 0.00 178.15 178.35 1xmn h ASP 243 N 0.75 0.72 0.55 1.72 3.32 -0.76 0.16 116.42 122.88 1xmn h ASP 243 Ca 0.18 -0.60 -0.20 0.00 0.02 0.00 0.00 57.03 56.43 1xmn h ASP 243 Cb 0.18 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1xmn h ASP 243 CO -0.01 1.20 -0.87 1.56 -1.72 0.00 0.00 179.24 179.39 1xmn h GLN 244 N 0.29 0.22 -0.07 3.56 4.20 -0.94 -3.35 115.11 119.01 1xmn h GLN 244 Ca -0.02 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.46 1xmn h GLN 244 Cb 1.13 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1xmn h GLN 244 CO 0.11 0.96 0.00 1.19 -0.67 0.00 0.00 178.83 180.42 1xmn n PHE 245 N -3.67 0.10 1.81 2.96 3.01 0.31 -5.09 117.46 116.88 1xmn n PHE 245 Ca -0.04 -0.49 0.15 0.00 1.01 0.00 0.00 57.45 58.08 1xmn n PHE 245 Cb 0.80 -0.04 0.79 0.00 -0.01 0.00 0.00 39.48 41.01 1xmn n PHE 245 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18