#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nrs s VAL 17 N 0.00 4.49 -0.18 1.39 1.01 0.50 -4.03 120.40 123.57 1nrs s VAL 17 Ca 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 1nrs s VAL 17 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1nrs s VAL 17 CO 0.00 0.10 0.02 1.21 0.00 0.00 0.00 175.10 176.42 1nrs n GLU 18 N 4.96 -0.25 0.00 2.72 4.07 -1.26 -0.94 120.64 129.93 1nrs n GLU 18 Ca -0.14 0.10 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 1nrs n GLU 18 Cb 0.49 -3.62 0.00 0.00 -0.06 0.00 0.00 31.44 28.26 1nrs n GLU 18 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1nrs n GLY 19 N -0.96 0.26 3.39 8.31 0.00 -1.26 -4.76 105.19 110.18 1nrs n GLY 19 Ca -0.02 -1.56 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 1nrs n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nrs s SER 20 N -1.00 -0.44 0.06 1.61 0.01 -0.83 -4.88 113.70 108.23 1nrs s SER 20 Ca 0.00 0.12 -0.31 0.00 1.31 0.00 0.00 55.95 57.08 1nrs s SER 20 Cb 0.00 0.51 -0.08 0.00 0.21 0.00 0.00 66.02 66.66 1nrs s SER 20 CO 0.00 -0.76 1.61 -1.81 0.41 0.00 0.00 173.24 172.69 1nrs s ASP 21 N -2.12 6.64 0.95 2.44 1.11 -1.26 0.29 116.67 124.71 1nrs s ASP 21 Ca -0.04 2.44 -0.11 0.00 0.18 0.00 0.00 52.55 55.02 1nrs s ASP 21 Cb -0.00 -2.56 0.16 0.00 1.07 0.00 0.00 42.92 41.58 1nrs s ASP 21 CO -0.04 -0.86 1.10 0.00 1.18 0.00 0.00 175.17 176.55 1nrs s ALA 22 N 2.53 1.15 0.37 5.23 0.00 0.74 -4.74 121.76 127.03 1nrs s ALA 22 Ca 0.72 0.24 -0.04 0.00 0.00 0.00 0.00 51.96 52.88 1nrs s ALA 22 Cb -0.39 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 1nrs s ALA 22 CO 0.31 -2.78 0.64 -1.21 0.00 0.00 0.00 175.76 172.72 1nrs s GLU 23 N -4.71 3.59 0.24 0.00 2.02 -1.26 -4.91 118.70 113.67 1nrs s GLU 23 Ca 0.66 0.02 -0.30 0.00 0.02 0.00 0.00 54.97 55.37 1nrs s GLU 23 Cb -0.21 -2.55 -0.10 0.00 0.10 0.00 0.00 34.13 31.36 1nrs s GLU 23 CO 0.59 0.06 1.48 0.42 0.02 0.00 0.00 175.26 177.83 1nrs s ILE 24 N -2.35 2.57 -1.31 -1.63 -1.09 -1.26 -2.32 121.20 113.82 1nrs s ILE 24 Ca 0.45 0.47 0.00 0.00 -2.23 0.00 0.00 60.65 59.34 1nrs s ILE 24 Cb -0.10 -3.30 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 1nrs s ILE 24 CO 0.35 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.74 1nrs n GLY 25 N 2.47 0.54 0.09 6.18 0.00 -1.26 -4.91 105.19 108.29 1nrs n GLY 25 Ca 0.08 -0.34 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 1nrs n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1nrs h MET 26 N 0.00 0.00 -2.01 1.61 -1.53 -1.85 -3.39 114.93 107.76 1nrs h MET 26 Ca -0.31 0.00 -0.54 0.00 -3.44 0.00 0.00 59.70 55.41 1nrs h MET 26 Cb 1.09 0.00 -0.39 0.00 -0.55 0.00 0.00 31.60 31.74 1nrs h MET 26 CO 0.40 0.80 -1.10 0.43 0.14 0.00 0.00 176.91 177.57 1nrs n SER 27 N -3.29 0.62 0.00 1.39 7.64 -1.26 -4.99 113.62 113.73 1nrs n SER 27 Ca 0.00 -2.84 0.06 0.00 1.01 0.00 0.00 58.87 57.10 1nrs n SER 27 Cb 0.87 -0.63 0.32 0.00 -1.01 0.00 0.00 64.21 63.75 1nrs n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1nrs n PRO 28 N 1.02 0.22 0.01 1.43 -0.04 -1.26 -1.30 135.00 135.08 1nrs n PRO 28 Ca 0.23 0.13 0.11 0.00 -0.04 0.00 0.00 63.50 63.93 1nrs n PRO 28 Cb 0.56 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.44 1nrs n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1nrs n TRP 29 N -1.22 0.12 -1.71 0.54 2.14 -0.97 -0.48 117.44 115.86 1nrs n TRP 29 Ca 0.07 0.04 -0.43 0.00 2.07 0.00 0.00 57.50 59.24 1nrs n TRP 29 Cb 0.08 -0.35 -0.02 0.00 -0.81 0.00 0.00 31.31 30.22 1nrs n TRP 29 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 1nrs n GLN 30 N -1.95 2.38 -4.83 -2.67 -0.06 -0.42 -0.86 117.38 108.97 1nrs n GLN 30 Ca 0.01 0.84 -0.25 0.00 -2.00 0.00 0.00 57.00 55.60 1nrs n GLN 30 Cb 0.45 -2.56 -0.15 0.00 -4.06 0.00 0.00 30.24 23.92 1nrs n GLN 30 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1nrs s VAL 31 N -0.08 1.37 -0.05 1.69 1.01 -0.87 -4.24 120.40 119.23 1nrs s VAL 31 Ca 0.65 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 1nrs s VAL 31 Cb -0.57 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 1nrs s VAL 31 CO 0.50 0.39 0.34 -0.32 0.00 0.00 0.00 175.10 176.00 1nrs s MET 32 N -0.36 3.87 -0.29 2.72 1.75 0.76 -1.82 119.30 125.92 1nrs s MET 32 Ca 0.06 0.25 -0.16 0.00 -1.25 0.00 0.00 55.69 54.59 1nrs s MET 32 Cb -0.07 -3.25 -0.02 0.00 2.84 0.00 0.00 34.83 34.33 1nrs s MET 32 CO -0.00 0.64 0.43 -0.51 -0.65 0.00 0.00 175.02 174.93 1nrs s LEU 33 N -0.82 4.15 -0.15 4.11 1.43 0.11 -2.03 118.68 125.48 1nrs s LEU 33 Ca 0.21 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 1nrs s LEU 33 Cb -0.15 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.57 1nrs s LEU 33 CO 0.10 -0.29 -0.16 0.12 0.23 0.00 0.00 176.35 176.35 1nrs s PHE 34 N 2.19 2.76 -0.06 0.29 5.36 0.13 0.14 117.98 128.79 1nrs s PHE 34 Ca 0.17 -1.12 -0.30 0.00 -0.96 0.00 0.00 56.93 54.72 1nrs s PHE 34 Cb -0.16 -1.88 -0.05 0.00 -0.34 0.00 0.00 43.02 40.59 1nrs s PHE 34 CO 0.11 -0.51 1.58 0.50 -1.46 0.00 0.00 175.22 175.44 1nrs s ARG 35 N 0.85 4.20 0.07 10.12 3.52 0.88 -2.20 118.95 136.39 1nrs s ARG 35 Ca -0.05 2.11 -0.20 0.00 -0.13 0.00 0.00 55.73 57.46 1nrs s ARG 35 Cb -0.15 -3.90 -0.10 0.00 -1.56 0.00 0.00 34.95 29.24 1nrs s ARG 35 CO -0.01 -0.80 1.55 -0.22 -0.81 0.00 0.00 175.30 175.01 1nrs h LYS 36 N 9.14 0.29 -1.78 5.12 3.64 -1.78 0.33 116.57 131.53 1nrs h LYS 36 Ca -0.38 -0.08 0.08 0.00 -1.27 0.00 0.00 60.65 59.01 1nrs h LYS 36 Cb 1.17 -0.04 -0.22 0.00 -0.41 0.00 0.00 32.23 32.73 1nrs h LYS 36 CO 0.95 0.45 0.05 0.45 -2.27 0.00 0.00 179.45 179.08 1nrs s SER 36 N -5.72 -0.90 0.28 4.20 0.15 -1.26 -2.83 113.70 107.61 1nrs s SER 36 Ca -0.14 1.33 -0.30 0.00 0.70 0.00 0.00 55.95 57.54 1nrs s SER 36 Cb 0.07 1.74 -0.12 0.00 -1.71 0.00 0.00 66.02 66.00 1nrs s SER 36 CO 0.72 -0.20 1.50 -0.81 1.20 0.00 0.00 173.24 175.65 1nrs n PRO 37 N 4.75 2.40 -1.62 5.44 -0.04 -1.26 -5.04 135.00 139.62 1nrs n PRO 37 Ca -0.15 0.85 -0.46 0.00 -0.04 0.00 0.00 63.50 63.70 1nrs n PRO 37 Cb 0.54 -2.57 -0.03 0.00 -0.04 0.00 0.00 33.50 31.40 1nrs n PRO 37 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1nrs n GLN 38 N 1.99 1.55 0.00 0.54 1.13 -1.13 -4.64 117.38 116.82 1nrs n GLN 38 Ca 0.09 0.55 0.00 0.00 -1.94 0.00 0.00 57.00 55.70 1nrs n GLN 38 Cb 0.35 -2.05 0.00 0.00 0.11 0.00 0.00 30.24 28.64 1nrs n GLN 38 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1nrs n GLU 39 N 1.37 0.00 -1.74 -1.09 0.28 0.11 -4.88 120.64 114.70 1nrs n GLU 39 Ca 0.11 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.69 1nrs n GLU 39 Cb 0.30 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.14 1nrs n GLU 39 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1nrs s LEU 40 N 0.00 4.41 -0.23 -1.84 0.20 -1.26 0.30 118.68 120.27 1nrs s LEU 40 Ca 0.00 2.61 -0.14 0.00 0.69 0.00 0.00 54.13 57.29 1nrs s LEU 40 Cb 0.00 -3.54 -0.09 0.00 -0.43 0.00 0.00 46.19 42.13 1nrs s LEU 40 CO 0.00 -1.02 -0.33 -0.11 -0.29 0.00 0.00 176.35 174.60 1nrs n LEU 41 N 7.16 1.84 -3.85 -0.68 0.00 0.38 -4.85 117.00 117.00 1nrs n LEU 41 Ca 0.19 0.32 -0.05 0.00 0.00 0.00 0.00 56.01 56.46 1nrs n LEU 41 Cb 0.41 -0.74 0.02 0.00 0.00 0.00 0.00 43.42 43.10 1nrs n LEU 41 CO 0.66 0.25 0.70 0.00 0.00 0.00 0.00 177.39 179.00 1nrs s GLY 43 N -3.24 1.80 0.32 0.00 0.00 -0.04 0.07 107.32 106.22 1nrs s GLY 43 Ca 0.19 -1.46 -0.17 0.00 0.00 0.00 0.00 44.72 43.27 1nrs s GLY 43 CO 0.07 -1.09 0.88 0.00 0.00 0.00 0.00 173.10 172.97 1nrs n ALA 44 N -2.50 -2.12 -2.78 3.20 0.00 -0.76 -3.79 120.51 111.77 1nrs n ALA 44 Ca 0.10 -1.17 -0.09 0.00 0.00 0.00 0.00 53.44 52.28 1nrs n ALA 44 Cb 0.60 0.84 -0.10 0.00 0.00 0.00 0.00 19.45 20.79 1nrs n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nrs s SER 45 N -3.20 0.20 -0.27 0.00 1.04 -0.01 -2.04 113.70 109.41 1nrs s SER 45 Ca 0.18 -0.52 -0.14 0.00 0.48 0.00 0.00 55.95 55.96 1nrs s SER 45 Cb -0.04 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.23 1nrs s SER 45 CO 0.09 -0.45 0.31 -0.22 0.98 0.00 0.00 173.24 173.95 1nrs s LEU 46 N -1.95 4.04 -0.01 2.42 2.96 -0.04 -1.64 118.68 124.46 1nrs s LEU 46 Ca -0.08 0.18 0.17 0.00 -0.22 0.00 0.00 54.13 54.18 1nrs s LEU 46 Cb -0.03 -2.32 -0.21 0.00 0.50 0.00 0.00 46.19 44.13 1nrs s LEU 46 CO -0.03 -0.14 0.62 2.30 -1.32 0.00 0.00 176.35 177.78 1nrs n ILE 47 N 5.10 0.00 -3.74 6.68 -5.35 -0.97 -1.75 119.36 119.33 1nrs n ILE 47 Ca -0.10 -0.19 -0.08 0.00 -0.27 0.00 0.00 62.75 62.10 1nrs n ILE 47 Cb 0.51 0.74 0.02 0.00 -1.74 0.00 0.00 39.64 39.17 1nrs n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1nrs n SER 48 N -1.61 -2.05 0.00 7.28 3.41 -1.24 -4.69 113.62 114.73 1nrs n SER 48 Ca 0.01 -2.47 0.12 0.00 -0.26 0.00 0.00 58.87 56.28 1nrs n SER 48 Cb 0.32 3.43 0.73 0.00 -0.26 0.00 0.00 64.21 68.42 1nrs n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1nrs n ASP 49 N -1.50 0.00 0.00 4.04 5.68 -1.26 -3.68 116.55 119.83 1nrs n ASP 49 Ca -0.08 -1.03 0.00 0.00 -0.50 0.00 0.00 54.79 53.19 1nrs n ASP 49 Cb 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 1nrs n ASP 49 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1nrs n ARG 50 N -0.93 0.92 -5.13 0.11 0.63 -1.26 -1.51 116.66 109.50 1nrs n ARG 50 Ca 0.18 -0.09 -0.29 0.00 -0.92 0.00 0.00 57.85 56.73 1nrs n ARG 50 Cb 0.08 -0.44 -0.16 0.00 0.45 0.00 0.00 32.46 32.40 1nrs n ARG 50 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1nrs s TRP 51 N -0.16 2.13 -0.02 -0.14 0.52 -1.24 0.01 118.94 120.04 1nrs s TRP 51 Ca 0.00 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 55.76 1nrs s TRP 51 Cb 0.00 -1.36 -0.01 0.00 -1.15 0.00 0.00 33.47 30.96 1nrs s TRP 51 CO 0.00 -0.01 -0.13 0.08 0.02 0.00 0.00 176.95 176.91 1nrs s VAL 52 N -0.59 1.05 -0.10 4.03 1.01 -0.54 -2.29 120.40 122.96 1nrs s VAL 52 Ca 0.09 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1nrs s VAL 52 Cb -0.09 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1nrs s VAL 52 CO -0.00 0.30 -0.04 -0.22 0.00 0.00 0.00 175.10 175.14 1nrs s LEU 53 N -0.19 3.29 0.00 3.92 2.96 -0.65 -0.31 118.68 127.70 1nrs s LEU 53 Ca 0.03 -0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.88 1nrs s LEU 53 Cb -0.06 -1.75 0.01 0.00 0.50 0.00 0.00 46.19 44.89 1nrs s LEU 53 CO -0.00 0.30 0.26 1.07 -1.32 0.00 0.00 176.35 176.66 1nrs n THR 54 N 2.64 0.00 -3.27 3.68 5.66 -0.41 -0.83 114.28 121.75 1nrs n THR 54 Ca -0.18 -0.56 -0.38 0.00 -3.05 0.00 0.00 64.05 59.88 1nrs n THR 54 Cb 0.53 0.43 -0.06 0.00 -1.55 0.00 0.00 70.33 69.68 1nrs n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nrs s ALA 55 N -1.74 3.52 0.47 1.79 0.00 -1.26 -2.14 121.76 122.40 1nrs s ALA 55 Ca 0.09 -0.05 0.13 0.00 0.00 0.00 0.00 51.96 52.13 1nrs s ALA 55 Cb -0.01 -2.67 1.09 0.00 0.00 0.00 0.00 23.12 21.52 1nrs s ALA 55 CO 0.07 0.19 2.09 0.00 0.00 0.00 0.00 175.76 178.10 1nrs h ALA 56 N 5.65 1.92 0.00 0.00 0.00 -1.71 -1.61 119.26 123.50 1nrs h ALA 56 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1nrs h ALA 56 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1nrs h ALA 56 CO 0.69 0.05 0.00 -2.39 0.00 0.00 0.00 179.25 177.60 1nrs n HIS 57 N -4.50 0.00 0.15 0.00 1.44 -1.26 -1.28 115.22 109.77 1nrs n HIS 57 Ca 0.02 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.84 1nrs n HIS 57 Cb 0.14 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.31 1nrs n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1nrs n LEU 59 N -2.84 0.86 -4.28 0.00 4.77 -0.41 -4.82 117.00 110.27 1nrs n LEU 59 Ca 0.01 0.33 -0.38 0.00 -0.03 0.00 0.00 56.01 55.94 1nrs n LEU 59 Cb 0.54 -0.65 -0.12 0.00 -2.33 0.00 0.00 43.42 40.86 1nrs n LEU 59 CO 0.38 -0.45 -0.26 -0.22 -1.33 0.00 0.00 177.39 175.51 1nrs s LEU 60 N -6.27 4.27 0.04 2.23 2.96 -1.01 -1.44 118.68 119.47 1nrs s LEU 60 Ca -0.09 -1.08 -0.03 0.00 -0.22 0.00 0.00 54.13 52.70 1nrs s LEU 60 Cb 0.01 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 1nrs s LEU 60 CO 0.14 -0.31 0.04 -0.47 -1.32 0.00 0.00 176.35 174.43 1nrs s TYR 60 N 1.42 0.29 0.00 5.38 5.04 0.02 -4.35 117.35 125.16 1nrs s TYR 60 Ca -0.01 -0.65 0.00 0.00 -2.44 0.00 0.00 57.07 53.97 1nrs s TYR 60 Cb -0.19 -0.21 0.00 0.00 0.35 0.00 0.00 41.96 41.91 1nrs s TYR 60 CO 0.03 -0.34 0.00 -2.30 -1.34 0.00 0.00 175.55 171.60 1nrs n PRO 60 N 0.75 0.00 -0.18 4.97 -0.02 -1.26 -1.56 135.00 137.70 1nrs n PRO 60 Ca -0.19 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.35 1nrs n PRO 60 Cb 0.58 0.00 0.14 0.00 -0.02 0.00 0.00 33.50 34.21 1nrs n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1nrs n TRP 60 N 0.00 0.45 -1.07 6.00 8.01 -1.26 -4.96 117.44 124.60 1nrs n TRP 60 Ca 0.00 -0.56 -0.02 0.00 -1.31 0.00 0.00 57.50 55.61 1nrs n TRP 60 Cb 0.00 -0.07 -0.01 0.00 -2.01 0.00 0.00 31.31 29.22 1nrs n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1nrs n ASP 60 N 0.20 -5.32 -4.70 -0.99 8.00 -0.97 -4.97 116.55 107.80 1nrs n ASP 60 Ca 0.11 0.06 -0.41 0.00 0.71 0.00 0.00 54.79 55.27 1nrs n ASP 60 Cb 0.46 -3.04 -0.04 0.00 -0.02 0.00 0.00 41.12 38.48 1nrs n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1nrs s LYS 60 N -1.86 4.42 -0.48 -1.24 2.20 -0.60 -4.95 119.74 117.23 1nrs s LYS 60 Ca 0.00 1.05 0.06 0.00 -0.36 0.00 0.00 55.97 56.72 1nrs s LYS 60 Cb 0.00 -3.49 0.25 0.00 -1.51 0.00 0.00 37.83 33.09 1nrs s LYS 60 CO 0.00 -0.08 0.92 -1.71 -0.36 0.00 0.00 175.35 174.12 1nrs n ASN 60 N 4.23 -2.71 -4.77 1.43 5.15 -1.16 -0.80 115.26 116.63 1nrs n ASN 60 Ca 0.02 -3.36 -0.39 0.00 -0.60 0.00 0.00 54.58 50.25 1nrs n ASN 60 Cb 0.50 1.78 -0.01 0.00 -0.53 0.00 0.00 39.78 41.52 1nrs n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1nrs s PHE 60 N 0.56 2.86 0.24 1.20 0.08 -0.52 -4.95 117.98 117.45 1nrs s PHE 60 Ca 0.30 1.45 0.05 0.00 0.12 0.00 0.00 56.93 58.86 1nrs s PHE 60 Cb 0.24 -3.60 -0.03 0.00 -0.57 0.00 0.00 43.02 39.06 1nrs s PHE 60 CO -0.21 -1.91 0.34 0.99 -0.10 0.00 0.00 175.22 174.34 1nrs s THR 60 N -1.31 5.15 0.32 0.64 2.01 -1.26 -4.75 115.64 116.44 1nrs s THR 60 Ca 0.58 -1.04 0.10 0.00 0.31 0.00 0.00 61.69 61.64 1nrs s THR 60 Cb -0.36 -3.80 0.32 0.00 0.01 0.00 0.00 72.50 68.67 1nrs s THR 60 CO 0.46 -0.33 1.67 -0.33 -0.69 0.00 0.00 174.62 175.40 1nrs h GLU 61 N 1.20 0.31 -0.01 4.92 3.07 -1.95 -2.88 114.58 119.24 1nrs h GLU 61 Ca -0.51 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.33 1nrs h GLU 61 Cb 1.23 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 1nrs h GLU 61 CO 0.61 0.21 -0.38 0.09 -1.40 0.00 0.00 179.01 178.14 1nrs n ASN 62 N -5.08 1.55 -0.07 1.42 3.02 -1.26 -3.54 115.26 111.29 1nrs n ASN 62 Ca 0.28 -1.22 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 1nrs n ASN 62 Cb 0.86 0.32 0.00 0.00 -0.61 0.00 0.00 39.78 40.35 1nrs n ASN 62 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1nrs n ASP 63 N -0.33 0.14 -4.22 6.41 8.00 -1.09 -4.83 116.55 120.63 1nrs n ASP 63 Ca 0.11 -1.90 -0.21 0.00 0.71 0.00 0.00 54.79 53.49 1nrs n ASP 63 Cb 0.41 -0.07 -0.12 0.00 -0.02 0.00 0.00 41.12 41.32 1nrs n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1nrs s LEU 64 N -0.86 2.27 -0.11 0.64 1.43 -1.23 -2.54 118.68 118.29 1nrs s LEU 64 Ca 0.00 -0.63 -0.06 0.00 -1.03 0.00 0.00 54.13 52.42 1nrs s LEU 64 Cb 0.00 -0.70 0.04 0.00 0.03 0.00 0.00 46.19 45.56 1nrs s LEU 64 CO 0.00 0.00 0.25 -0.76 0.23 0.00 0.00 176.35 176.08 1nrs s LEU 65 N -1.72 0.48 -0.20 1.79 1.02 -0.93 -4.60 118.68 114.51 1nrs s LEU 65 Ca 0.02 0.54 -0.09 0.00 0.02 0.00 0.00 54.13 54.62 1nrs s LEU 65 Cb -0.10 0.78 -0.05 0.00 0.02 0.00 0.00 46.19 46.85 1nrs s LEU 65 CO 0.03 -0.16 0.12 -0.69 0.02 0.00 0.00 176.35 175.67 1nrs s VAL 66 N 1.11 5.21 -0.27 -1.59 1.01 -0.37 0.17 120.40 125.67 1nrs s VAL 66 Ca -0.08 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 1nrs s VAL 66 Cb -0.09 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.94 1nrs s VAL 66 CO -0.07 0.43 -0.03 -0.13 0.00 0.00 0.00 175.10 175.29 1nrs s ARG 67 N 0.52 2.70 0.02 2.72 0.52 -0.86 -0.91 118.95 123.67 1nrs s ARG 67 Ca 0.07 -1.08 0.03 0.00 -0.52 0.00 0.00 55.73 54.23 1nrs s ARG 67 Cb -0.12 -3.08 -0.04 0.00 0.52 0.00 0.00 34.95 32.24 1nrs s ARG 67 CO -0.00 -0.48 -0.03 0.42 0.02 0.00 0.00 175.30 175.23 1nrs s ILE 68 N 1.31 3.91 0.00 1.52 1.01 -0.22 -0.17 121.20 128.55 1nrs s ILE 68 Ca -0.02 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1nrs s ILE 68 Cb -0.18 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.54 1nrs s ILE 68 CO -0.03 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.85 1nrs n GLY 69 N 1.29 0.40 3.86 6.18 0.00 -1.26 0.60 105.19 116.26 1nrs n GLY 69 Ca -0.14 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 44.62 1nrs n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nrs s LYS 70 N -3.29 3.53 0.01 1.61 1.02 -1.26 -4.12 119.74 117.24 1nrs s LYS 70 Ca 0.00 0.80 0.00 0.00 0.02 0.00 0.00 55.97 56.79 1nrs s LYS 70 Cb 0.00 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 1nrs s LYS 70 CO 0.00 -0.62 0.00 1.58 -0.92 0.00 0.00 175.35 175.39 1nrs n HIS 71 N -2.71 -0.09 -2.52 3.18 -0.00 -1.26 -4.95 115.22 106.88 1nrs n HIS 71 Ca 0.06 0.02 -0.42 0.00 -0.00 0.00 0.00 57.72 57.38 1nrs n HIS 71 Cb 0.54 0.41 -0.03 0.00 -0.00 0.00 0.00 29.99 30.91 1nrs n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1nrs s SER 72 N -5.01 7.21 0.08 0.26 0.15 -1.26 -1.29 113.70 113.84 1nrs s SER 72 Ca 0.00 1.96 -0.31 0.00 0.70 0.00 0.00 55.95 58.30 1nrs s SER 72 Cb 0.00 -2.58 -0.18 0.00 -1.71 0.00 0.00 66.02 61.55 1nrs s SER 72 CO 0.00 -0.34 1.65 -0.09 1.20 0.00 0.00 173.24 175.66 1nrs h ARG 73 N 6.26 -0.68 0.00 5.44 2.43 -1.65 -3.39 114.38 122.78 1nrs h ARG 73 Ca -0.42 0.05 -0.22 0.00 -0.81 0.00 0.00 59.98 58.57 1nrs h ARG 73 Cb 1.21 0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.88 1nrs h ARG 73 CO 0.77 -0.46 -2.14 2.41 -1.51 0.00 0.00 179.97 179.05 1nrs n THR 74 N -5.40 0.84 -2.36 0.20 -1.04 -1.26 -5.02 114.28 100.24 1nrs n THR 74 Ca -0.12 -0.67 -0.36 0.00 -2.04 0.00 0.00 64.05 60.86 1nrs n THR 74 Cb 0.30 -0.33 -0.02 0.00 -1.82 0.00 0.00 70.33 68.46 1nrs n THR 74 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1nrs s ARG 75 N -2.75 3.80 -0.35 -2.82 3.00 -1.26 -4.97 118.95 113.59 1nrs s ARG 75 Ca -0.08 1.64 -0.29 0.00 0.00 0.00 0.00 55.73 57.00 1nrs s ARG 75 Cb 0.08 -2.34 0.02 0.00 0.00 0.00 0.00 34.95 32.70 1nrs s ARG 75 CO 0.77 -0.49 1.13 -0.47 0.00 0.00 0.00 175.30 176.25 1nrs s TYR 76 N -1.65 2.99 -1.16 -0.53 5.04 -1.26 -4.89 117.35 115.89 1nrs s TYR 76 Ca 0.64 1.03 -0.10 0.00 -2.44 0.00 0.00 57.07 56.20 1nrs s TYR 76 Cb -0.25 -3.90 0.24 0.00 0.35 0.00 0.00 41.96 38.40 1nrs s TYR 76 CO 0.30 -1.06 1.33 0.39 -1.34 0.00 0.00 175.55 175.18 1nrs n GLU 77 N 7.18 3.64 -0.14 4.97 1.02 -1.26 -4.94 120.64 131.10 1nrs n GLU 77 Ca 0.13 -4.22 -0.04 0.00 -0.02 0.00 0.00 57.16 53.01 1nrs n GLU 77 Cb 0.47 -2.72 -0.03 0.00 -0.02 0.00 0.00 31.44 29.14 1nrs n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1nrs n ARG 77 N 3.44 -0.15 -0.54 3.49 0.63 -1.26 -0.65 116.66 121.61 1nrs n ARG 77 Ca 0.29 0.56 0.05 0.00 -0.92 0.00 0.00 57.85 57.83 1nrs n ARG 77 Cb 0.39 -0.82 0.25 0.00 0.45 0.00 0.00 32.46 32.73 1nrs n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1nrs n ASN 78 N -4.27 3.67 -0.00 6.15 5.03 -1.26 -4.70 115.26 119.87 1nrs n ASN 78 Ca 0.01 -3.17 -0.04 0.00 0.87 0.00 0.00 54.58 52.24 1nrs n ASN 78 Cb 0.09 -0.57 -0.01 0.00 -1.02 0.00 0.00 39.78 38.26 1nrs n ASN 78 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1nrs n ILE 79 N -0.62 1.08 -1.57 2.41 3.06 0.17 -5.05 119.36 118.84 1nrs n ILE 79 Ca 0.25 0.21 -0.33 0.00 -2.50 0.00 0.00 62.75 60.38 1nrs n ILE 79 Cb 0.95 -1.75 0.07 0.00 0.54 0.00 0.00 39.64 39.45 1nrs n ILE 79 CO 0.00 0.00 0.00 -1.83 -2.50 0.00 0.00 176.55 172.22 1nrs s GLU 80 N -2.23 2.46 0.03 9.51 -1.05 -0.76 -4.78 118.70 121.88 1nrs s GLU 80 Ca -0.09 1.52 0.07 0.00 -0.15 0.00 0.00 54.97 56.31 1nrs s GLU 80 Cb 0.02 -1.90 -0.02 0.00 -0.44 0.00 0.00 34.13 31.79 1nrs s GLU 80 CO 0.13 -1.54 -0.19 0.21 0.95 0.00 0.00 175.26 174.81 1nrs s LYS 81 N -4.09 1.36 -0.01 -4.83 2.47 0.20 -4.92 119.74 109.91 1nrs s LYS 81 Ca 0.69 -0.85 0.06 0.00 -1.56 0.00 0.00 55.97 54.31 1nrs s LYS 81 Cb -0.23 -1.42 -0.03 0.00 -1.46 0.00 0.00 37.83 34.69 1nrs s LYS 81 CO 0.44 0.37 -0.18 0.42 0.16 0.00 0.00 175.35 176.56 1nrs s ILE 82 N -0.72 2.78 0.27 5.43 1.01 -1.26 -1.06 121.20 127.65 1nrs s ILE 82 Ca 0.07 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.79 1nrs s ILE 82 Cb -0.08 -2.09 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 1nrs s ILE 82 CO 0.01 0.51 0.11 -0.44 0.00 0.00 0.00 174.94 175.13 1nrs s SER 83 N -0.93 1.29 0.04 3.58 0.01 -0.08 -4.99 113.70 112.62 1nrs s SER 83 Ca 0.12 -1.42 0.05 0.00 1.31 0.00 0.00 55.95 56.01 1nrs s SER 83 Cb -0.10 0.21 -0.04 0.00 0.21 0.00 0.00 66.02 66.30 1nrs s SER 83 CO 0.02 -0.76 -0.11 -0.04 0.41 0.00 0.00 173.24 172.75 1nrs s MET 84 N -3.99 2.29 0.03 12.44 -1.94 -1.26 -1.24 119.30 125.64 1nrs s MET 84 Ca 0.37 -0.88 -0.29 0.00 -1.71 0.00 0.00 55.69 53.18 1nrs s MET 84 Cb 0.07 -2.36 -0.04 0.00 2.01 0.00 0.00 34.83 34.51 1nrs s MET 84 CO 0.14 0.56 0.92 -0.51 -0.01 0.00 0.00 175.02 176.12 1nrs s LEU 85 N -1.66 4.41 0.04 -0.03 1.43 -1.26 0.05 118.68 121.66 1nrs s LEU 85 Ca 0.18 1.62 -0.06 0.00 -1.03 0.00 0.00 54.13 54.84 1nrs s LEU 85 Cb -0.11 -3.48 -0.29 0.00 0.03 0.00 0.00 46.19 42.34 1nrs s LEU 85 CO 0.09 -0.15 1.01 -0.08 0.23 0.00 0.00 176.35 177.44 1nrs h GLU 86 N 6.30 0.31 -2.49 1.70 4.81 0.26 -3.42 114.58 122.04 1nrs h GLU 86 Ca -0.42 -0.53 -0.00 0.00 -0.13 0.00 0.00 59.36 58.27 1nrs h GLU 86 Cb 1.21 0.20 -0.15 0.00 0.63 0.00 0.00 28.75 30.64 1nrs h GLU 86 CO 0.74 1.22 0.27 0.21 -0.73 0.00 0.00 179.01 180.72 1nrs s LYS 87 N -2.63 1.09 -0.07 1.92 2.36 -1.14 -5.01 119.74 116.26 1nrs s LYS 87 Ca -0.07 -0.19 0.05 0.00 -2.55 0.00 0.00 55.97 53.22 1nrs s LYS 87 Cb 0.06 0.51 -0.01 0.00 -1.05 0.00 0.00 37.83 37.34 1nrs s LYS 87 CO 0.88 -0.43 -0.25 0.42 1.55 0.00 0.00 175.35 177.52 1nrs s ILE 88 N -2.73 2.07 -0.19 5.43 1.01 -1.26 -1.20 121.20 124.33 1nrs s ILE 88 Ca -0.02 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.59 1nrs s ILE 88 Cb -0.01 -1.76 0.04 0.00 0.01 0.00 0.00 42.46 40.75 1nrs s ILE 88 CO -0.05 0.57 -0.09 -0.31 0.00 0.00 0.00 174.94 175.06 1nrs s TYR 89 N -0.02 2.20 -0.06 3.97 1.51 0.90 -5.01 117.35 120.84 1nrs s TYR 89 Ca -0.08 -1.44 -0.07 0.00 -1.01 0.00 0.00 57.07 54.47 1nrs s TYR 89 Cb -0.15 -1.54 -0.04 0.00 -0.11 0.00 0.00 41.96 40.11 1nrs s TYR 89 CO 0.05 -0.71 0.20 0.42 -1.11 0.00 0.00 175.55 174.41 1nrs s ILE 90 N 1.47 5.40 0.07 2.71 -1.09 -1.26 0.54 121.20 129.05 1nrs s ILE 90 Ca -0.01 0.18 -0.34 0.00 -2.23 0.00 0.00 60.65 58.25 1nrs s ILE 90 Cb -0.16 -3.49 -0.14 0.00 -1.58 0.00 0.00 42.46 37.09 1nrs s ILE 90 CO -0.08 0.50 1.64 1.57 -1.23 0.00 0.00 174.94 177.34 1nrs n HIS 91 N 1.55 2.21 -0.18 3.97 -0.00 -0.96 -4.87 115.22 116.95 1nrs n HIS 91 Ca -0.16 0.24 0.14 0.00 -0.00 0.00 0.00 57.72 57.94 1nrs n HIS 91 Cb 0.54 -2.55 0.47 0.00 -0.00 0.00 0.00 29.99 28.44 1nrs n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1nrs h PRO 92 N 6.72 0.49 -0.69 1.57 0.13 -1.95 -2.94 132.00 135.32 1nrs h PRO 92 Ca -0.46 -0.03 -0.44 0.00 -0.87 0.00 0.00 66.00 64.20 1nrs h PRO 92 Cb 1.27 -0.11 -0.26 0.00 0.13 0.00 0.00 31.00 32.03 1nrs h PRO 92 CO 0.90 0.32 0.05 0.54 -0.23 0.00 0.00 178.00 179.58 1nrs n ARG 93 N -4.50 2.56 -1.91 0.86 1.74 -1.26 -5.01 116.66 109.14 1nrs n ARG 93 Ca 0.14 -3.46 -0.42 0.00 -0.77 0.00 0.00 57.85 53.35 1nrs n ARG 93 Cb 0.48 -2.10 -0.02 0.00 -1.02 0.00 0.00 32.46 29.80 1nrs n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1nrs s TYR 94 N -3.50 2.96 -0.69 -1.55 5.04 -1.11 -4.74 117.35 113.76 1nrs s TYR 94 Ca 0.53 0.78 -0.03 0.00 -2.44 0.00 0.00 57.07 55.90 1nrs s TYR 94 Cb 0.44 -3.94 0.18 0.00 0.35 0.00 0.00 41.96 38.99 1nrs s TYR 94 CO 0.02 -3.27 0.52 1.21 -1.34 0.00 0.00 175.55 172.69 1nrs s ASN 95 N 0.72 5.43 0.45 4.32 3.84 -0.04 -4.84 114.94 124.82 1nrs s ASN 95 Ca 0.65 -3.02 0.24 0.00 0.21 0.00 0.00 52.86 50.94 1nrs s ASN 95 Cb -0.44 -1.88 0.51 0.00 -0.55 0.00 0.00 41.25 38.89 1nrs s ASN 95 CO 0.39 -0.34 1.67 4.11 -2.79 0.00 0.00 177.10 180.14 1nrs h TRP 96 N 6.86 0.00 -0.62 0.43 5.08 -1.93 0.98 115.95 126.75 1nrs h TRP 96 Ca 0.03 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.91 1nrs h TRP 96 Cb 0.93 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.07 1nrs h TRP 96 CO 0.74 0.05 0.07 0.00 -1.28 0.00 0.00 178.44 178.01 1nrs h ARG 97 N 0.00 1.03 0.00 0.12 3.08 -2.00 -3.42 114.38 113.20 1nrs h ARG 97 Ca -0.00 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1nrs h ARG 97 Cb 0.94 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1nrs h ARG 97 CO 0.01 0.97 -0.73 -1.91 -1.07 0.00 0.00 179.97 177.24 1nrs n GLU 97 N -4.21 0.00 -0.15 0.04 2.13 -1.21 -5.01 120.64 112.23 1nrs n GLU 97 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1nrs n GLU 97 Cb 0.30 -0.66 0.00 0.00 0.27 0.00 0.00 31.44 31.35 1nrs n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1nrs n ASN 98 N -2.48 0.00 -1.14 4.31 6.94 -1.11 -4.95 115.26 116.82 1nrs n ASN 98 Ca 0.00 -1.25 -0.11 0.00 -0.02 0.00 0.00 54.58 53.20 1nrs n ASN 98 Cb 0.36 -0.05 -0.01 0.00 -2.36 0.00 0.00 39.78 37.72 1nrs n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1nrs n LEU 99 N 0.00 -1.35 -4.74 -4.53 4.77 0.34 -4.98 117.00 106.50 1nrs n LEU 99 Ca 0.00 0.04 -0.41 0.00 -0.03 0.00 0.00 56.01 55.61 1nrs n LEU 99 Cb 0.55 -1.74 -0.03 0.00 -2.33 0.00 0.00 43.42 39.87 1nrs n LEU 99 CO 0.00 -0.20 1.04 -0.62 -1.33 0.00 0.00 177.39 176.28 1nrs s ASP 100 N -2.59 6.77 -0.75 -1.43 2.15 -1.21 -2.62 116.67 116.99 1nrs s ASP 100 Ca 0.00 2.55 -0.03 0.00 0.43 0.00 0.00 52.55 55.50 1nrs s ASP 100 Cb 0.00 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1nrs s ASP 100 CO 0.00 -0.61 0.43 0.54 -0.17 0.00 0.00 175.17 175.37 1nrs n ARG 101 N 2.29 -3.14 -2.35 4.34 1.74 -1.26 -0.86 116.66 117.43 1nrs n ARG 101 Ca 0.06 0.45 -0.36 0.00 -0.77 0.00 0.00 57.85 57.23 1nrs n ARG 101 Cb 0.41 -4.33 -0.03 0.00 -1.02 0.00 0.00 32.46 27.50 1nrs n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nrs s ASP 102 N -2.98 5.98 -0.04 0.55 2.15 -1.08 -4.42 116.67 116.83 1nrs s ASP 102 Ca 0.21 -1.63 -0.27 0.00 0.43 0.00 0.00 52.55 51.29 1nrs s ASP 102 Cb -0.09 -2.58 0.06 0.00 -0.30 0.00 0.00 42.92 40.01 1nrs s ASP 102 CO 0.26 -2.03 0.60 -0.51 -0.17 0.00 0.00 175.17 173.32 1nrs s ILE 103 N 7.22 0.01 0.10 4.11 2.07 -1.26 -4.02 121.20 129.42 1nrs s ILE 103 Ca 0.58 -0.10 -0.25 0.00 -1.41 0.00 0.00 60.65 59.47 1nrs s ILE 103 Cb -0.00 -0.91 0.07 0.00 0.13 0.00 0.00 42.46 41.74 1nrs s ILE 103 CO 0.02 -0.06 0.63 0.00 -1.91 0.00 0.00 174.94 173.62 1nrs s ALA 104 N -1.21 -1.65 -0.04 1.50 0.00 -0.91 -2.26 121.76 117.20 1nrs s ALA 104 Ca -0.11 0.73 0.06 0.00 0.00 0.00 0.00 51.96 52.63 1nrs s ALA 104 Cb -0.01 0.64 -0.01 0.00 0.00 0.00 0.00 23.12 23.73 1nrs s ALA 104 CO 0.09 -0.66 -0.21 -0.51 0.00 0.00 0.00 175.76 174.47 1nrs s LEU 105 N -2.32 2.01 -0.18 0.00 1.43 0.19 -1.29 118.68 118.52 1nrs s LEU 105 Ca -0.02 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 1nrs s LEU 105 Cb -0.01 -1.13 0.02 0.00 0.03 0.00 0.00 46.19 45.11 1nrs s LEU 105 CO -0.07 0.22 -0.20 -0.04 0.23 0.00 0.00 176.35 176.50 1nrs s MET 106 N -0.25 2.94 -0.27 1.70 -1.94 0.58 -0.07 119.30 121.99 1nrs s MET 106 Ca 0.01 -0.84 -0.11 0.00 -1.71 0.00 0.00 55.69 53.04 1nrs s MET 106 Cb -0.11 -2.56 -0.05 0.00 2.01 0.00 0.00 34.83 34.12 1nrs s MET 106 CO 0.01 -0.22 0.21 -1.59 -0.01 0.00 0.00 175.02 173.42 1nrs s LYS 107 N 1.29 3.97 0.39 2.03 -2.85 -0.34 -1.47 119.74 122.76 1nrs s LYS 107 Ca 0.05 -0.26 -0.25 0.00 -1.00 0.00 0.00 55.97 54.50 1nrs s LYS 107 Cb -0.13 -3.65 -0.09 0.00 -2.06 0.00 0.00 37.83 31.91 1nrs s LYS 107 CO -0.13 -0.17 1.13 -0.51 0.10 0.00 0.00 175.35 175.77 1nrs s LEU 108 N 1.73 4.20 0.31 2.77 1.43 0.10 0.23 118.68 129.44 1nrs s LEU 108 Ca 0.08 2.25 -0.00 0.00 -1.03 0.00 0.00 54.13 55.43 1nrs s LEU 108 Cb -0.16 -4.05 0.51 0.00 0.03 0.00 0.00 46.19 42.53 1nrs s LEU 108 CO 0.10 -0.59 1.95 0.50 0.23 0.00 0.00 176.35 178.54 1nrs h LYS 109 N 2.67 1.01 -3.82 1.70 1.63 -0.64 -3.41 116.57 115.71 1nrs h LYS 109 Ca -0.48 -0.06 -0.15 0.00 -0.85 0.00 0.00 60.65 59.10 1nrs h LYS 109 Cb 1.23 -0.23 -0.20 0.00 -0.60 0.00 0.00 32.23 32.43 1nrs h LYS 109 CO 0.63 0.67 -0.61 0.15 -3.45 0.00 0.00 179.45 176.83 1nrs s LYS 110 N -5.89 0.41 0.56 1.90 3.01 -1.26 -4.94 119.74 113.54 1nrs s LYS 110 Ca -0.11 -0.59 -0.19 0.00 -1.01 0.00 0.00 55.97 54.07 1nrs s LYS 110 Cb 0.19 0.16 -0.05 0.00 -1.01 0.00 0.00 37.83 37.11 1nrs s LYS 110 CO 0.79 -0.08 1.14 -2.14 0.51 0.00 0.00 175.35 175.57 1nrs s PRO 111 N -1.67 3.23 0.23 -1.68 0.02 -1.26 -4.94 135.00 128.93 1nrs s PRO 111 Ca -0.13 1.62 0.03 0.00 0.02 0.00 0.00 61.00 62.54 1nrs s PRO 111 Cb -0.07 -1.99 -0.03 0.00 0.02 0.00 0.00 34.50 32.43 1nrs s PRO 111 CO -0.01 -0.95 0.37 0.14 -0.33 0.00 0.00 177.00 176.21 1nrs s VAL 112 N -1.80 5.25 -0.12 3.83 -7.23 -0.57 -5.03 120.40 114.73 1nrs s VAL 112 Ca 0.73 -0.82 -0.01 0.00 -1.81 0.00 0.00 61.98 60.07 1nrs s VAL 112 Cb -0.25 -3.82 -0.02 0.00 0.56 0.00 0.00 36.38 32.85 1nrs s VAL 112 CO 0.30 -0.29 -0.09 0.00 -0.31 0.00 0.00 175.10 174.71 1nrs s ALA 113 N -1.95 2.81 0.82 1.32 0.00 -1.26 -4.76 121.76 118.74 1nrs s ALA 113 Ca 0.35 -0.87 -0.13 0.00 0.00 0.00 0.00 51.96 51.31 1nrs s ALA 113 Cb -0.10 -1.31 0.09 0.00 0.00 0.00 0.00 23.12 21.80 1nrs s ALA 113 CO 0.30 0.31 1.20 -0.06 0.00 0.00 0.00 175.76 177.50 1nrs s PHE 114 N 0.09 1.79 0.00 0.00 0.08 -1.26 -4.93 117.98 113.76 1nrs s PHE 114 Ca -0.03 1.69 0.00 0.00 0.12 0.00 0.00 56.93 58.70 1nrs s PHE 114 Cb -0.14 -3.46 0.00 0.00 -0.57 0.00 0.00 43.02 38.85 1nrs s PHE 114 CO 0.04 -2.82 0.00 -1.13 -0.10 0.00 0.00 175.22 171.20 1nrs n SER 115 N -3.43 0.00 0.06 1.36 3.41 -0.01 -4.91 113.62 110.11 1nrs n SER 115 Ca 0.13 -0.24 -0.03 0.00 -0.26 0.00 0.00 58.87 58.47 1nrs n SER 115 Cb 0.51 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.66 1nrs n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1nrs h ASP 116 N 0.00 0.35 0.03 4.04 3.32 -1.99 -2.88 116.42 119.29 1nrs h ASP 116 Ca 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1nrs h ASP 116 Cb 0.00 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1nrs h ASP 116 CO 0.00 0.70 -0.60 -1.22 -1.72 0.00 0.00 179.24 176.40 1nrs n TYR 117 N -4.04 0.00 -3.79 4.55 4.01 -1.26 -4.81 117.16 111.82 1nrs n TYR 117 Ca -0.01 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.48 1nrs n TYR 117 Cb 0.47 -0.02 -0.17 0.00 -0.31 0.00 0.00 39.34 39.31 1nrs n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1nrs s ILE 118 N -2.64 0.55 -0.25 -0.72 1.01 -1.09 -4.30 121.20 113.76 1nrs s ILE 118 Ca 0.16 -0.17 -0.26 0.00 0.00 0.00 0.00 60.65 60.39 1nrs s ILE 118 Cb 0.18 -0.79 0.08 0.00 0.01 0.00 0.00 42.46 41.94 1nrs s ILE 118 CO 0.65 0.14 0.80 -2.28 0.00 0.00 0.00 174.94 174.25 1nrs s HIS 119 N 1.88 -0.69 0.51 3.97 2.46 0.37 -0.83 115.29 122.97 1nrs s HIS 119 Ca 0.03 1.65 -0.18 0.00 0.47 0.00 0.00 55.06 57.03 1nrs s HIS 119 Cb -0.14 0.31 -0.08 0.00 -0.13 0.00 0.00 32.58 32.54 1nrs s HIS 119 CO -0.07 -0.36 1.00 -1.25 -2.47 0.00 0.00 174.74 171.59 1nrs s PRO 120 N 0.18 3.87 0.36 2.88 0.04 -1.26 -2.29 135.00 138.78 1nrs s PRO 120 Ca -0.00 1.07 -0.02 0.00 0.04 0.00 0.00 61.00 62.09 1nrs s PRO 120 Cb -0.04 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1nrs s PRO 120 CO 0.00 -0.34 0.60 0.54 0.04 0.00 0.00 177.00 177.84 1nrs s VAL 121 N -2.44 5.04 0.25 -0.36 0.11 -0.72 -4.94 120.40 117.34 1nrs s VAL 121 Ca 0.61 -0.18 -0.04 0.00 -2.93 0.00 0.00 61.98 59.44 1nrs s VAL 121 Cb -0.11 -3.83 -0.05 0.00 -1.53 0.00 0.00 36.38 30.85 1nrs s VAL 121 CO 0.28 -0.56 0.50 0.00 -3.33 0.00 0.00 175.10 171.98 1nrs s LEU 123 N -3.34 4.18 0.59 0.00 1.43 -1.26 0.20 118.68 120.48 1nrs s LEU 123 Ca 0.43 0.29 -0.18 0.00 -1.03 0.00 0.00 54.13 53.64 1nrs s LEU 123 Cb -0.11 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1nrs s LEU 123 CO 0.28 0.28 1.12 -2.16 0.23 0.00 0.00 176.35 176.10 1nrs s PRO 124 N -0.25 3.15 0.21 1.29 0.04 -1.26 -4.93 135.00 133.24 1nrs s PRO 124 Ca 0.10 1.51 -0.01 0.00 0.04 0.00 0.00 61.00 62.64 1nrs s PRO 124 Cb -0.12 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1nrs s PRO 124 CO 0.01 -0.99 0.41 0.16 0.04 0.00 0.00 177.00 176.62 1nrs s ASP 125 N -2.11 6.40 0.54 6.66 1.47 -1.26 -4.95 116.67 123.43 1nrs s ASP 125 Ca 0.70 0.45 0.28 0.00 1.18 0.00 0.00 52.55 55.16 1nrs s ASP 125 Cb -0.22 -2.03 1.45 0.00 -0.34 0.00 0.00 42.92 41.78 1nrs s ASP 125 CO 0.33 -0.05 1.94 -0.09 0.68 0.00 0.00 175.17 177.98 1nrs h ARG 126 N 2.04 0.00 0.09 2.11 2.43 -1.97 0.11 114.38 119.19 1nrs h ARG 126 Ca -0.48 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.38 1nrs h ARG 126 Cb 1.19 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 1nrs h ARG 126 CO 0.68 0.00 -1.63 0.93 -1.51 0.00 0.00 179.97 178.44 1nrs h GLU 127 N 0.00 0.20 -1.07 0.20 3.07 -2.04 -2.37 114.58 112.57 1nrs h GLU 127 Ca 0.31 -0.34 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1nrs h GLU 127 Cb 1.29 0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.33 1nrs h GLU 127 CO -0.00 1.02 0.00 2.41 -1.40 0.00 0.00 179.01 181.03 1nrs n THR 128 N -3.38 0.09 0.00 1.13 -1.04 0.37 -1.84 114.28 109.60 1nrs n THR 128 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1nrs n THR 128 Cb 1.04 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 69.20 1nrs n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nrs n ALA 129 N 0.69 0.00 0.69 2.41 0.00 -0.89 -2.03 120.51 121.37 1nrs n ALA 129 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1nrs n ALA 129 Cb 0.06 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.90 1nrs n ALA 129 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1nrs n SER 129 N 0.00 0.65 -0.00 0.00 7.64 -0.77 -4.14 113.62 116.99 1nrs n SER 129 Ca 0.00 0.44 0.05 0.00 1.01 0.00 0.00 58.87 60.37 1nrs n SER 129 Cb 0.00 -0.53 -0.08 0.00 -1.01 0.00 0.00 64.21 62.60 1nrs n SER 129 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1nrs n LEU 129 N -2.08 0.04 -3.90 -3.43 4.77 -0.86 -4.73 117.00 106.81 1nrs n LEU 129 Ca 0.05 -0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 1nrs n LEU 129 Cb 0.41 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 1nrs n LEU 129 CO 0.31 0.01 2.40 -0.11 -1.33 0.00 0.00 177.39 178.67 1nrs n LEU 130 N -1.80 5.83 -4.09 2.23 7.94 -1.26 -4.77 117.00 121.08 1nrs n LEU 130 Ca -0.02 -3.83 -0.23 0.00 -1.11 0.00 0.00 56.01 50.83 1nrs n LEU 130 Cb 0.26 -1.58 -0.15 0.00 0.53 0.00 0.00 43.42 42.47 1nrs n LEU 130 CO 0.21 0.53 -0.47 -1.10 -1.11 0.00 0.00 177.39 175.45 1nrs s GLN 131 N 3.87 1.24 0.28 1.96 -0.21 -1.26 -5.00 119.66 120.54 1nrs s GLN 131 Ca 0.51 -0.49 -0.29 0.00 0.02 0.00 0.00 55.36 55.11 1nrs s GLN 131 Cb 0.12 -1.16 -0.14 0.00 1.00 0.00 0.00 33.01 32.82 1nrs s GLN 131 CO -0.01 0.26 1.10 0.00 -2.12 0.00 0.00 175.29 174.51 1nrs n ALA 132 N 2.92 0.02 0.00 6.09 0.00 -1.26 0.35 120.51 128.63 1nrs n ALA 132 Ca -0.16 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1nrs n ALA 132 Cb 0.54 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1nrs n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nrs n GLY 133 N 1.33 2.82 3.78 0.00 0.00 0.30 -4.88 105.19 108.53 1nrs n GLY 133 Ca 0.10 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 1nrs n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nrs s TYR 134 N -1.27 2.58 0.44 1.61 1.51 0.16 -4.48 117.35 117.90 1nrs s TYR 134 Ca 0.00 1.20 -0.02 0.00 -1.01 0.00 0.00 57.07 57.24 1nrs s TYR 134 Cb 0.00 -3.98 -0.02 0.00 -0.11 0.00 0.00 41.96 37.85 1nrs s TYR 134 CO 0.00 -2.92 0.70 0.15 -1.11 0.00 0.00 175.55 172.36 1nrs s LYS 135 N -2.16 3.33 0.26 -0.62 1.02 -1.26 -0.55 119.74 119.75 1nrs s LYS 135 Ca 0.54 -0.17 0.02 0.00 0.02 0.00 0.00 55.97 56.39 1nrs s LYS 135 Cb -0.46 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.32 1nrs s LYS 135 CO 0.61 -0.17 0.21 0.20 -0.92 0.00 0.00 175.35 175.28 1nrs s GLY 136 N -4.14 1.78 -0.04 -3.33 0.00 -0.57 -4.85 107.32 96.17 1nrs s GLY 136 Ca 0.46 -1.82 0.02 0.00 0.00 0.00 0.00 44.72 43.37 1nrs s GLY 136 CO 0.40 -1.39 -0.08 -1.60 0.00 0.00 0.00 173.10 170.43 1nrs s ARG 137 N -3.83 1.03 -0.00 2.90 6.06 -0.44 -0.96 118.95 123.71 1nrs s ARG 137 Ca 0.39 -0.24 0.07 0.00 -2.50 0.00 0.00 55.73 53.45 1nrs s ARG 137 Cb 0.05 -0.95 -0.02 0.00 0.06 0.00 0.00 34.95 34.09 1nrs s ARG 137 CO 0.19 0.01 -0.22 0.08 -2.50 0.00 0.00 175.30 172.86 1nrs s VAL 138 N 0.58 1.71 0.09 7.11 1.01 0.61 0.12 120.40 131.62 1nrs s VAL 138 Ca -0.09 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 60.98 1nrs s VAL 138 Cb -0.12 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1nrs s VAL 138 CO 0.01 0.42 -0.20 0.42 0.00 0.00 0.00 175.10 175.75 1nrs s THR 139 N -0.57 1.67 0.00 3.92 -4.23 -1.25 -0.85 115.64 114.34 1nrs s THR 139 Ca 0.08 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 1nrs s THR 139 Cb -0.08 -1.51 0.00 0.00 1.34 0.00 0.00 72.50 72.25 1nrs s THR 139 CO -0.00 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 1nrs n GLY 140 N 1.28 0.49 0.85 3.99 0.00 -0.89 -4.56 105.19 106.36 1nrs n GLY 140 Ca -0.19 -0.81 0.01 0.00 0.00 0.00 0.00 46.02 45.03 1nrs n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1nrs n TRP 141 N -0.07 0.48 -2.68 1.61 8.01 -1.26 -1.09 117.44 122.44 1nrs n TRP 141 Ca 0.00 -1.58 -0.19 0.00 -1.31 0.00 0.00 57.50 54.42 1nrs n TRP 141 Cb 0.00 -0.34 0.09 0.00 -2.01 0.00 0.00 31.31 29.06 1nrs n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1nrs n GLY 142 N -1.10 0.98 3.63 6.99 0.00 -1.26 -4.61 105.19 109.82 1nrs n GLY 142 Ca 0.25 -2.07 -0.50 0.00 0.00 0.00 0.00 46.02 43.70 1nrs n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nrs n ASN 143 N -2.80 2.30 0.03 1.61 3.02 0.17 -3.09 115.26 116.50 1nrs n ASN 143 Ca 0.14 1.09 0.13 0.00 -0.03 0.00 0.00 54.58 55.92 1nrs n ASN 143 Cb 0.52 -1.27 0.41 0.00 -0.61 0.00 0.00 39.78 38.82 1nrs n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1nrs n LEU 144 N 3.36 0.40 -3.75 3.41 4.77 -0.81 -2.31 117.00 122.07 1nrs n LEU 144 Ca 0.19 0.34 -0.13 0.00 -0.03 0.00 0.00 56.01 56.38 1nrs n LEU 144 Cb 0.22 -0.35 -0.10 0.00 -2.33 0.00 0.00 43.42 40.86 1nrs n LEU 144 CO 0.65 -0.01 0.04 -0.75 -1.33 0.00 0.00 177.39 175.99 1nrs s LYS 145 N -3.05 0.44 0.29 3.23 2.20 -1.26 -4.27 119.74 117.32 1nrs s LYS 145 Ca 0.11 0.50 -0.01 0.00 -0.36 0.00 0.00 55.97 56.21 1nrs s LYS 145 Cb 0.16 0.21 0.65 0.00 -1.51 0.00 0.00 37.83 37.34 1nrs s LYS 145 CO 0.62 -0.05 1.58 1.49 -0.36 0.00 0.00 175.35 178.63 1nrs h GLU 146 N 5.53 0.03 -1.80 4.03 4.81 -1.89 -3.40 114.58 121.88 1nrs h GLU 146 Ca -0.27 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.02 1nrs h GLU 146 Cb 1.18 -0.01 -0.24 0.00 0.63 0.00 0.00 28.75 30.32 1nrs h GLU 146 CO 0.28 0.02 0.18 -0.08 -0.73 0.00 0.00 179.01 178.68 1nrs s THR 147 N -6.07 0.00 0.00 0.32 -1.32 -1.26 -4.89 115.64 102.42 1nrs s THR 147 Ca -0.13 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 1nrs s THR 147 Cb 0.27 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.26 1nrs s THR 147 CO 0.77 0.00 0.00 1.87 -2.21 0.00 0.00 174.62 175.05 1nrs n TRP 148 N 3.91 0.00 0.00 9.09 -0.00 -1.26 -5.19 117.44 123.99 1nrs n TRP 148 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.31 1nrs n TRP 148 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.89 1nrs n TRP 148 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1nrs n GLY 150 N 5.00 -1.94 3.40 5.87 0.00 -1.26 -5.21 105.19 111.05 1nrs n GLY 150 Ca 0.00 0.56 -0.32 0.00 0.00 0.00 0.00 46.02 46.26 1nrs n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nrs s GLN 151 N -0.48 2.29 0.81 1.61 -0.21 -1.26 -1.92 119.66 120.49 1nrs s GLN 151 Ca 0.00 -0.83 -0.12 0.00 0.02 0.00 0.00 55.36 54.44 1nrs s GLN 151 Cb 0.00 -2.21 0.09 0.00 1.00 0.00 0.00 33.01 31.89 1nrs s GLN 151 CO 0.00 0.59 1.17 -1.25 -2.12 0.00 0.00 175.29 173.68 1nrs s PRO 152 N -0.76 1.86 -0.12 2.91 0.04 -1.26 -5.00 135.00 132.66 1nrs s PRO 152 Ca 0.11 0.00 0.06 0.00 0.04 0.00 0.00 61.00 61.22 1nrs s PRO 152 Cb -0.10 -1.97 -0.24 0.00 0.04 0.00 0.00 34.50 32.23 1nrs s PRO 152 CO 0.00 -1.63 0.35 -1.13 0.04 0.00 0.00 177.00 174.63 1nrs n SER 153 N -3.31 1.25 -4.45 6.66 3.41 -1.26 -4.69 113.62 111.24 1nrs n SER 153 Ca 0.09 0.21 -0.22 0.00 -0.26 0.00 0.00 58.87 58.69 1nrs n SER 153 Cb 0.61 -0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 64.28 1nrs n SER 153 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1nrs s VAL 154 N -2.56 1.55 0.02 -3.33 0.11 -1.26 -1.88 120.40 113.04 1nrs s VAL 154 Ca -0.15 -2.08 -0.37 0.00 -2.93 0.00 0.00 61.98 56.46 1nrs s VAL 154 Cb 0.07 -2.59 -0.16 0.00 -1.53 0.00 0.00 36.38 32.17 1nrs s VAL 154 CO 0.78 -0.19 1.50 -0.11 -3.33 0.00 0.00 175.10 173.75 1nrs n LEU 155 N -0.65 2.17 -4.86 2.54 7.94 -0.41 -4.76 117.00 118.97 1nrs n LEU 155 Ca -0.05 1.09 -0.27 0.00 -1.11 0.00 0.00 56.01 55.68 1nrs n LEU 155 Cb 0.65 -1.23 -0.04 0.00 0.53 0.00 0.00 43.42 43.32 1nrs n LEU 155 CO 0.41 -0.72 -0.17 -1.10 -1.11 0.00 0.00 177.39 174.70 1nrs s GLN 156 N 1.41 3.16 0.00 1.96 -1.52 -0.25 0.26 119.66 124.68 1nrs s GLN 156 Ca 0.87 -0.71 0.01 0.00 -1.95 0.00 0.00 55.36 53.57 1nrs s GLN 156 Cb -0.91 -2.81 -0.00 0.00 -0.22 0.00 0.00 33.01 29.06 1nrs s GLN 156 CO 0.49 0.52 -0.02 0.54 -0.25 0.00 0.00 175.29 176.57 1nrs s VAL 157 N -1.70 0.16 -0.03 1.09 0.11 0.82 -2.10 120.40 118.76 1nrs s VAL 157 Ca 0.33 -0.15 -0.14 0.00 -2.93 0.00 0.00 61.98 59.09 1nrs s VAL 157 Cb -0.11 -0.15 0.02 0.00 -1.53 0.00 0.00 36.38 34.61 1nrs s VAL 157 CO 0.26 0.01 0.30 0.54 -3.33 0.00 0.00 175.10 172.88 1nrs s VAL 158 N -0.14 0.05 -0.23 2.04 0.11 -0.03 -1.96 120.40 120.25 1nrs s VAL 158 Ca -0.00 -0.40 -0.09 0.00 -2.93 0.00 0.00 61.98 58.55 1nrs s VAL 158 Cb -0.01 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1nrs s VAL 158 CO -0.00 -0.22 0.12 0.20 -3.33 0.00 0.00 175.10 171.87 1nrs s ASN 159 N -1.07 5.80 0.06 3.54 0.01 -1.26 -0.28 114.94 121.74 1nrs s ASN 159 Ca -0.11 0.04 0.02 0.00 -0.71 0.00 0.00 52.86 52.10 1nrs s ASN 159 Cb -0.05 -2.04 -0.03 0.00 0.41 0.00 0.00 41.25 39.55 1nrs s ASN 159 CO 0.03 0.07 -0.08 -0.76 -1.51 0.00 0.00 177.10 174.85 1nrs s LEU 160 N 1.04 2.30 0.11 0.60 1.43 -0.14 -4.96 118.68 119.07 1nrs s LEU 160 Ca 0.06 -0.63 -0.10 0.00 -1.03 0.00 0.00 54.13 52.43 1nrs s LEU 160 Cb -0.14 -0.19 -0.06 0.00 0.03 0.00 0.00 46.19 45.83 1nrs s LEU 160 CO 0.04 -0.23 0.43 -2.16 0.23 0.00 0.00 176.35 174.66 1nrs s PRO 161 N -1.96 3.77 0.39 1.29 0.04 -1.26 -1.51 135.00 135.75 1nrs s PRO 161 Ca -0.06 0.19 -0.25 0.00 0.04 0.00 0.00 61.00 60.92 1nrs s PRO 161 Cb -0.08 -2.93 -0.09 0.00 0.04 0.00 0.00 34.50 31.44 1nrs s PRO 161 CO -0.00 0.51 1.08 0.42 0.04 0.00 0.00 177.00 179.05 1nrs s ILE 162 N -1.49 3.58 0.03 0.56 1.01 0.29 -1.68 121.20 123.49 1nrs s ILE 162 Ca 0.36 1.26 0.05 0.00 0.00 0.00 0.00 60.65 62.32 1nrs s ILE 162 Cb -0.13 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 1nrs s ILE 162 CO 0.19 0.06 -0.10 -0.69 0.00 0.00 0.00 174.94 174.40 1nrs s VAL 163 N -1.56 3.38 0.51 2.92 1.01 -1.08 0.11 120.40 125.70 1nrs s VAL 163 Ca 0.56 -0.96 -0.23 0.00 0.00 0.00 0.00 61.98 61.36 1nrs s VAL 163 Cb -0.25 -2.48 -0.06 0.00 0.00 0.00 0.00 36.38 33.60 1nrs s VAL 163 CO 0.31 0.34 1.36 -1.61 0.00 0.00 0.00 175.10 175.49 1nrs s GLU 164 N -1.54 3.34 0.25 2.72 8.01 -1.26 -4.61 118.70 125.60 1nrs s GLU 164 Ca 0.17 2.24 -0.06 0.00 0.01 0.00 0.00 54.97 57.32 1nrs s GLU 164 Cb -0.11 -2.38 0.45 0.00 -4.31 0.00 0.00 34.13 27.79 1nrs s GLU 164 CO 0.08 -1.03 1.63 0.00 0.01 0.00 0.00 175.26 175.95 1nrs h ARG 165 N 1.74 0.10 -0.01 1.61 3.08 -1.99 -1.61 114.38 117.31 1nrs h ARG 165 Ca -0.51 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.54 1nrs h ARG 165 Cb 1.29 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 1nrs h ARG 165 CO 0.58 0.07 0.00 -1.00 -1.07 0.00 0.00 179.97 178.56 1nrs h PRO 166 N 0.11 0.01 -0.61 0.04 0.13 -1.99 0.23 132.00 129.92 1nrs h PRO 166 Ca 0.42 -0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.60 1nrs h PRO 166 Cb 0.75 -0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.83 1nrs h PRO 166 CO -0.67 0.13 0.34 0.28 -0.23 0.00 0.00 178.00 177.85 1nrs h VAL 167 N -0.10 1.00 -0.32 1.56 2.07 -1.85 -2.41 116.25 116.19 1nrs h VAL 167 Ca 0.00 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.37 1nrs h VAL 167 Cb 0.12 0.29 -0.08 0.00 -1.52 0.00 0.00 31.29 30.10 1nrs h VAL 167 CO -0.00 0.12 -0.22 0.00 0.02 0.00 0.00 177.57 177.49 1nrs h LYS 169 N -0.18 0.16 0.00 0.00 1.57 -0.34 -2.95 116.57 114.82 1nrs h LYS 169 Ca 0.17 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1nrs h LYS 169 Cb 0.44 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1nrs h LYS 169 CO -0.43 0.40 0.00 -0.25 -0.57 0.00 0.00 179.45 178.60 1nrs n ASP 170 N -4.19 0.41 0.11 0.86 8.00 -0.93 -3.08 116.55 117.73 1nrs n ASP 170 Ca -0.01 0.55 0.12 0.00 0.71 0.00 0.00 54.79 56.16 1nrs n ASP 170 Cb 0.34 -0.66 0.17 0.00 -0.02 0.00 0.00 41.12 40.95 1nrs n ASP 170 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1nrs h SER 171 N 0.00 0.00 -5.56 -2.24 4.64 -1.26 -3.48 113.55 105.65 1nrs h SER 171 Ca 0.00 -0.08 -0.23 0.00 -0.47 0.00 0.00 61.79 61.01 1nrs h SER 171 Cb 0.55 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.50 1nrs h SER 171 CO 0.00 0.04 -0.53 0.28 -0.87 0.00 0.00 176.83 175.75 1nrs s THR 172 N -3.21 0.00 -0.38 2.95 -1.32 -1.18 -4.91 115.64 107.59 1nrs s THR 172 Ca 0.05 -1.90 0.23 0.00 -1.21 0.00 0.00 61.69 58.86 1nrs s THR 172 Cb 0.11 -2.46 -0.09 0.00 -1.51 0.00 0.00 72.50 68.55 1nrs s THR 172 CO 0.71 0.00 0.98 0.54 -2.21 0.00 0.00 174.62 174.64 1nrs n ARG 173 N -0.31 0.47 -1.85 7.08 1.74 -1.26 -4.93 116.66 117.59 1nrs n ARG 173 Ca 0.02 0.03 -0.37 0.00 -0.77 0.00 0.00 57.85 56.75 1nrs n ARG 173 Cb 0.65 -1.68 0.04 0.00 -1.02 0.00 0.00 32.46 30.45 1nrs n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1nrs s ILE 174 N -3.31 2.24 -0.42 0.55 -1.09 -1.26 -5.00 121.20 112.92 1nrs s ILE 174 Ca 0.01 0.17 -0.24 0.00 -2.23 0.00 0.00 60.65 58.35 1nrs s ILE 174 Cb 0.12 -3.08 0.02 0.00 -1.58 0.00 0.00 42.46 37.95 1nrs s ILE 174 CO 0.81 -0.02 0.85 -0.60 -1.23 0.00 0.00 174.94 174.75 1nrs s ARG 175 N -3.08 3.61 0.03 2.79 3.52 -1.26 -5.02 118.95 119.54 1nrs s ARG 175 Ca 0.75 0.20 -0.30 0.00 -0.13 0.00 0.00 55.73 56.24 1nrs s ARG 175 Cb -0.37 -3.88 -0.04 0.00 -1.56 0.00 0.00 34.95 29.10 1nrs s ARG 175 CO 0.42 -1.05 1.10 0.42 -0.81 0.00 0.00 175.30 175.39 1nrs s ILE 176 N 3.41 4.40 0.51 4.11 -1.09 -1.26 -4.90 121.20 126.38 1nrs s ILE 176 Ca 0.34 1.72 0.06 0.00 -2.23 0.00 0.00 60.65 60.54 1nrs s ILE 176 Cb -0.12 -4.10 0.02 0.00 -1.58 0.00 0.00 42.46 36.68 1nrs s ILE 176 CO 0.22 0.13 0.39 0.42 -1.23 0.00 0.00 174.94 174.86 1nrs s THR 177 N 1.05 1.89 -0.57 2.92 -4.23 -1.26 -4.99 115.64 110.45 1nrs s THR 177 Ca 0.56 -1.48 0.23 0.00 -1.18 0.00 0.00 61.69 59.82 1nrs s THR 177 Cb -0.26 -2.37 0.24 0.00 1.34 0.00 0.00 72.50 71.46 1nrs s THR 177 CO 0.29 0.00 1.69 0.47 -0.54 0.00 0.00 174.62 176.53 1nrs n ASP 178 N -1.69 0.60 -1.98 3.99 8.00 -1.26 -2.11 116.55 122.11 1nrs n ASP 178 Ca -0.00 0.64 -0.04 0.00 0.71 0.00 0.00 54.79 56.10 1nrs n ASP 178 Cb 0.64 -0.77 0.32 0.00 -0.02 0.00 0.00 41.12 41.29 1nrs n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1nrs n ASN 179 N -2.15 4.98 -4.21 -2.24 3.02 -1.26 -4.90 115.26 108.49 1nrs n ASN 179 Ca 0.03 -3.19 -0.13 0.00 -0.03 0.00 0.00 54.58 51.26 1nrs n ASN 179 Cb 0.24 -0.74 -0.10 0.00 -0.61 0.00 0.00 39.78 38.58 1nrs n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1nrs s MET 180 N -2.97 0.96 0.01 3.52 -1.94 -0.90 -0.60 119.30 117.38 1nrs s MET 180 Ca 0.55 -1.39 -0.16 0.00 -1.71 0.00 0.00 55.69 52.98 1nrs s MET 180 Cb 0.44 -0.46 0.03 0.00 2.01 0.00 0.00 34.83 36.85 1nrs s MET 180 CO 0.14 0.04 0.34 -0.59 -0.01 0.00 0.00 175.02 174.94 1nrs s PHE 181 N -3.39 -0.19 0.41 -0.03 -0.12 -1.03 -4.80 117.98 108.81 1nrs s PHE 181 Ca 0.14 0.21 0.07 0.00 -0.05 0.00 0.00 56.93 57.31 1nrs s PHE 181 Cb 0.03 0.13 -0.08 0.00 -0.63 0.00 0.00 43.02 42.48 1nrs s PHE 181 CO -0.02 -0.46 0.02 0.00 -0.05 0.00 0.00 175.22 174.71 1nrs s ALA 183 N -2.69 -1.73 0.00 0.00 0.00 -0.51 -2.62 121.76 114.21 1nrs s ALA 183 Ca 0.35 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.49 1nrs s ALA 183 Cb 0.09 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1nrs s ALA 183 CO 0.18 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1nrs n GLY 184 N 0.71 2.23 3.91 0.00 0.00 -0.68 -1.02 105.19 110.35 1nrs n GLY 184 Ca -0.19 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 43.93 1nrs n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nrs s TYR 184 N -1.78 3.38 0.18 1.61 2.02 -1.26 -4.34 117.35 117.16 1nrs s TYR 184 Ca 0.00 0.69 -0.16 0.00 -0.37 0.00 0.00 57.07 57.23 1nrs s TYR 184 Cb 0.00 -2.54 -0.07 0.00 -0.40 0.00 0.00 41.96 38.95 1nrs s TYR 184 CO 0.00 -0.58 0.62 0.15 -1.57 0.00 0.00 175.55 174.17 1nrs s LYS 185 N -4.87 4.06 0.52 -0.62 1.02 -1.26 -4.84 119.74 113.76 1nrs s LYS 185 Ca 0.51 0.61 0.29 0.00 0.02 0.00 0.00 55.97 57.40 1nrs s LYS 185 Cb -0.10 -2.87 1.43 0.00 -0.52 0.00 0.00 37.83 35.77 1nrs s LYS 185 CO 0.45 0.43 1.90 -1.00 -0.92 0.00 0.00 175.35 176.20 1nrs h PRO 186 N 3.39 0.04 -0.00 -1.68 0.14 -1.97 0.40 132.00 132.33 1nrs h PRO 186 Ca -0.48 -0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.66 1nrs h PRO 186 Cb 1.19 -0.01 0.00 0.00 0.14 0.00 0.00 31.00 32.32 1nrs h PRO 186 CO 0.66 0.03 -0.19 -0.40 0.14 0.00 0.00 178.00 178.23 1nrs n ASP 186 N -4.31 0.28 0.09 1.44 5.75 -1.26 -3.71 116.55 114.84 1nrs n ASP 186 Ca 0.18 -0.02 0.13 0.00 -0.01 0.00 0.00 54.79 55.07 1nrs n ASP 186 Cb 0.90 -0.14 0.41 0.00 -1.03 0.00 0.00 41.12 41.25 1nrs n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1nrs n GLU 186 N -1.36 0.23 -2.35 0.11 1.02 0.14 -4.97 120.64 113.46 1nrs n GLU 186 Ca 0.08 0.18 -0.18 0.00 -0.02 0.00 0.00 57.16 57.22 1nrs n GLU 186 Cb 0.32 -1.76 -0.01 0.00 -0.02 0.00 0.00 31.44 29.97 1nrs n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nrs n GLY 186 N 1.33 -0.35 3.05 0.62 0.00 -1.24 -5.00 105.19 103.60 1nrs n GLY 186 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 1nrs n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nrs s LYS 186 N -4.94 0.49 0.00 1.61 -0.14 -1.26 -5.19 119.74 110.31 1nrs s LYS 186 Ca 0.00 -0.88 0.00 0.00 -1.36 0.00 0.00 55.97 53.73 1nrs s LYS 186 Cb 0.00 0.02 0.00 0.00 -1.68 0.00 0.00 37.83 36.17 1nrs s LYS 186 CO 0.00 -0.04 0.00 2.89 -0.76 0.00 0.00 175.35 177.44 1nrs n ARG 187 N 1.00 0.00 0.00 1.68 1.85 -1.26 -4.74 116.66 115.20 1nrs n ARG 187 Ca -0.20 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.65 1nrs n ARG 187 Cb 0.57 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.98 1nrs n ARG 187 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nrs n GLY 188 N 0.00 3.90 3.63 2.89 0.00 -1.24 -4.91 105.19 109.46 1nrs n GLY 188 Ca 0.00 -1.67 -0.04 0.00 0.00 0.00 0.00 46.02 44.31 1nrs n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nrs s ASP 189 N 0.00 -0.20 0.61 1.61 2.15 -0.12 -4.79 116.67 115.93 1nrs s ASP 189 Ca 0.00 -0.18 -0.10 0.00 0.43 0.00 0.00 52.55 52.71 1nrs s ASP 189 Cb 0.00 0.35 -0.03 0.00 -0.30 0.00 0.00 42.92 42.94 1nrs s ASP 189 CO 0.00 -0.61 1.00 0.00 -0.17 0.00 0.00 175.17 175.39 1nrs s ALA 190 N -2.95 3.12 0.23 3.66 0.00 -1.26 0.19 121.76 124.75 1nrs s ALA 190 Ca 0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 51.96 51.77 1nrs s ALA 190 Cb 0.00 -2.96 0.02 0.00 0.00 0.00 0.00 23.12 20.18 1nrs s ALA 190 CO -0.03 -0.73 0.37 0.00 0.00 0.00 0.00 175.76 175.37 1nrs n GLU 192 N -0.36 2.13 0.00 0.00 2.13 -1.26 -1.18 120.64 122.10 1nrs n GLU 192 Ca -0.02 0.75 0.00 0.00 0.66 0.00 0.00 57.16 58.56 1nrs n GLU 192 Cb 0.38 -2.38 0.00 0.00 0.27 0.00 0.00 31.44 29.70 1nrs n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nrs n GLY 193 N 1.48 3.36 0.13 8.31 0.00 -1.26 0.46 105.19 117.67 1nrs n GLY 193 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1nrs n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nrs h ASP 194 N 0.00 0.00 -2.71 1.61 3.32 -1.50 -3.35 116.42 113.79 1nrs h ASP 194 Ca 0.00 -0.04 -0.60 0.00 0.02 0.00 0.00 57.03 56.42 1nrs h ASP 194 Cb 0.00 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.67 1nrs h ASP 194 CO 0.00 0.02 0.13 -0.24 -1.72 0.00 0.00 179.24 177.43 1nrs n SER 195 N -2.50 1.25 0.00 6.45 2.88 -1.26 -0.90 113.62 119.55 1nrs n SER 195 Ca 0.04 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1nrs n SER 195 Cb 0.47 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 1nrs n SER 195 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nrs n GLY 196 N 1.21 2.45 3.66 0.46 0.00 -0.54 -0.86 105.19 111.56 1nrs n GLY 196 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1nrs n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nrs s GLY 197 N -1.90 1.58 -0.05 -0.02 0.00 -0.07 -2.95 107.32 103.91 1nrs s GLY 197 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 44.72 44.47 1nrs s GLY 197 CO 0.00 0.38 0.16 2.56 0.00 0.00 0.00 173.10 176.20 1nrs s PRO 198 N -4.87 3.41 -0.34 2.90 0.04 -1.26 0.42 135.00 135.31 1nrs s PRO 198 Ca 0.65 -0.27 -0.09 0.00 0.04 0.00 0.00 61.00 61.33 1nrs s PRO 198 Cb -0.20 -3.11 0.02 0.00 0.04 0.00 0.00 34.50 31.25 1nrs s PRO 198 CO 0.59 0.71 0.16 0.12 0.04 0.00 0.00 177.00 178.61 1nrs s PHE 199 N -1.22 3.21 0.30 0.56 2.19 0.18 -3.83 117.98 119.37 1nrs s PHE 199 Ca 0.23 -0.91 0.09 0.00 0.33 0.00 0.00 56.93 56.68 1nrs s PHE 199 Cb -0.12 -2.36 -0.05 0.00 -1.31 0.00 0.00 43.02 39.18 1nrs s PHE 199 CO 0.14 -0.59 0.00 0.14 1.83 0.00 0.00 175.22 176.74 1nrs s VAL 200 N 1.54 3.04 0.04 3.12 -7.23 0.12 -1.17 120.40 119.86 1nrs s VAL 200 Ca 0.02 -1.95 0.02 0.00 -1.81 0.00 0.00 61.98 58.26 1nrs s VAL 200 Cb -0.18 -2.79 -0.02 0.00 0.56 0.00 0.00 36.38 33.94 1nrs s VAL 200 CO 0.05 -0.30 -0.07 -0.04 -0.31 0.00 0.00 175.10 174.43 1nrs s MET 201 N -3.70 0.50 -0.28 4.82 -1.94 -0.58 -1.32 119.30 116.80 1nrs s MET 201 Ca 0.33 -0.71 -0.12 0.00 -1.71 0.00 0.00 55.69 53.48 1nrs s MET 201 Cb -0.04 -0.26 -0.05 0.00 2.01 0.00 0.00 34.83 36.50 1nrs s MET 201 CO 0.20 0.04 0.22 0.21 -0.01 0.00 0.00 175.02 175.68 1nrs s LYS 202 N -1.50 3.96 -0.07 2.03 2.20 -1.26 -0.70 119.74 124.40 1nrs s LYS 202 Ca -0.10 -0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 54.95 1nrs s LYS 202 Cb -0.10 -3.66 -0.03 0.00 -1.51 0.00 0.00 37.83 32.53 1nrs s LYS 202 CO 0.00 -0.19 1.29 0.45 -0.36 0.00 0.00 175.35 176.54 1nrs s SER 203 N 1.73 6.95 0.00 1.43 0.15 0.45 -4.91 113.70 119.50 1nrs s SER 203 Ca 0.08 1.87 0.18 0.00 0.70 0.00 0.00 55.95 58.79 1nrs s SER 203 Cb -0.16 -2.55 0.78 0.00 -1.71 0.00 0.00 66.02 62.38 1nrs s SER 203 CO 0.11 -0.68 1.57 -0.81 1.20 0.00 0.00 173.24 174.63 1nrs n PRO 204 N 5.73 0.03 -0.07 5.44 -0.04 -1.26 0.28 135.00 145.10 1nrs n PRO 204 Ca 0.13 0.18 -0.20 0.00 -0.04 0.00 0.00 63.50 63.57 1nrs n PRO 204 Cb 0.45 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.29 1nrs n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1nrs h PHE 204 N 0.00 0.10 -0.00 0.54 0.04 -1.96 -3.42 116.94 112.24 1nrs h PHE 204 Ca 0.00 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1nrs h PHE 204 Cb 0.30 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1nrs h PHE 204 CO 0.00 1.38 -0.35 0.27 -0.60 0.00 0.00 178.31 179.01 1nrs n ASN 204 N -4.35 0.80 -0.52 2.17 2.04 -1.23 -5.03 115.26 109.14 1nrs n ASN 204 Ca -0.25 -0.90 -0.06 0.00 -0.44 0.00 0.00 54.58 52.93 1nrs n ASN 204 Cb 0.68 0.76 -0.02 0.00 -2.53 0.00 0.00 39.78 38.67 1nrs n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1nrs n ASN 205 N -0.79 -3.62 -4.81 0.53 5.15 0.14 -5.02 115.26 106.85 1nrs n ASN 205 Ca 0.03 0.14 -0.29 0.00 -0.60 0.00 0.00 54.58 53.86 1nrs n ASN 205 Cb 0.18 -1.84 -0.06 0.00 -0.53 0.00 0.00 39.78 37.54 1nrs n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1nrs s ARG 206 N -2.76 2.98 -0.14 1.20 0.52 -1.24 -4.80 118.95 114.71 1nrs s ARG 206 Ca 0.00 -0.72 -0.12 0.00 -0.52 0.00 0.00 55.73 54.36 1nrs s ARG 206 Cb 0.00 -2.75 -0.05 0.00 0.52 0.00 0.00 34.95 32.68 1nrs s ARG 206 CO 0.00 0.54 0.26 -1.58 0.02 0.00 0.00 175.30 174.54 1nrs s TRP 207 N -1.55 3.51 -0.06 -0.53 0.52 -1.26 0.17 118.94 119.74 1nrs s TRP 207 Ca 0.31 0.60 0.05 0.00 0.02 0.00 0.00 56.10 57.08 1nrs s TRP 207 Cb -0.11 -2.25 -0.02 0.00 -1.15 0.00 0.00 33.47 29.94 1nrs s TRP 207 CO 0.23 0.37 -0.21 0.71 0.02 0.00 0.00 176.95 178.07 1nrs s TYR 208 N 0.04 2.53 -0.46 -1.98 2.02 0.12 -2.57 117.35 117.04 1nrs s TYR 208 Ca 0.16 -0.53 -0.24 0.00 -0.37 0.00 0.00 57.07 56.09 1nrs s TYR 208 Cb -0.13 -1.62 0.03 0.00 -0.40 0.00 0.00 41.96 39.84 1nrs s TYR 208 CO 0.04 -0.09 0.84 -1.14 -1.57 0.00 0.00 175.55 173.63 1nrs s GLN 209 N -0.31 3.43 -0.05 -0.62 0.74 0.13 -1.53 119.66 121.45 1nrs s GLN 209 Ca 0.01 -0.05 0.11 0.00 0.05 0.00 0.00 55.36 55.48 1nrs s GLN 209 Cb -0.13 -3.95 -0.23 0.00 1.10 0.00 0.00 33.01 29.80 1nrs s GLN 209 CO 0.02 -1.18 0.64 -1.33 -0.55 0.00 0.00 175.29 172.89 1nrs n MET 210 N 6.91 0.64 -4.02 1.67 2.81 -0.32 -4.31 117.12 120.50 1nrs n MET 210 Ca 0.03 0.30 -0.10 0.00 -1.81 0.00 0.00 57.70 56.12 1nrs n MET 210 Cb 0.48 -1.79 -0.06 0.00 -0.71 0.00 0.00 33.22 31.14 1nrs n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1nrs s GLY 211 N -5.15 0.67 -0.13 3.03 0.00 -1.05 -1.97 107.32 102.72 1nrs s GLY 211 Ca -0.06 -1.00 0.02 0.00 0.00 0.00 0.00 44.72 43.67 1nrs s GLY 211 CO 0.82 -0.78 -0.18 -0.42 0.00 0.00 0.00 173.10 172.55 1nrs s ILE 212 N -4.03 1.73 -0.00 0.90 1.01 -1.16 0.52 121.20 120.16 1nrs s ILE 212 Ca 0.24 -0.77 -0.35 0.00 0.00 0.00 0.00 60.65 59.77 1nrs s ILE 212 Cb 0.01 -1.56 -0.13 0.00 0.01 0.00 0.00 42.46 40.79 1nrs s ILE 212 CO 0.08 0.49 1.71 0.52 0.00 0.00 0.00 174.94 177.73 1nrs n VAL 213 N 4.27 0.29 0.00 2.92 0.31 0.17 -0.21 118.33 126.08 1nrs n VAL 213 Ca -0.19 -0.05 -0.01 0.00 -0.01 0.00 0.00 64.34 64.08 1nrs n VAL 213 Cb 0.51 -1.58 -0.00 0.00 -0.91 0.00 0.00 33.84 31.86 1nrs n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1nrs n SER 214 N 4.96 0.55 -3.85 4.52 2.88 -0.43 -1.47 113.62 120.79 1nrs n SER 214 Ca 0.21 0.08 -0.09 0.00 -1.33 0.00 0.00 58.87 57.74 1nrs n SER 214 Cb 0.26 -0.27 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1nrs n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1nrs s TRP 215 N -1.51 -0.01 0.00 0.66 1.48 -0.69 -4.88 118.94 113.99 1nrs s TRP 215 Ca -0.03 -0.37 -0.00 0.00 -1.06 0.00 0.00 56.10 54.63 1nrs s TRP 215 Cb 0.00 0.45 0.00 0.00 -1.16 0.00 0.00 33.47 32.76 1nrs s TRP 215 CO 0.05 -1.05 0.01 0.41 -4.06 0.00 0.00 176.95 172.31 1nrs n GLY 216 N -0.39 2.05 2.65 3.67 0.00 -1.26 0.70 105.19 112.60 1nrs n GLY 216 Ca -0.06 -1.03 -0.20 0.00 0.00 0.00 0.00 46.02 44.73 1nrs n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nrs s GLU 217 N -2.00 0.66 0.82 1.61 2.02 -1.26 -5.03 118.70 115.52 1nrs s GLU 217 Ca 0.00 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 53.88 1nrs s GLU 217 Cb -0.00 -0.90 0.00 0.00 0.10 0.00 0.00 34.13 33.33 1nrs s GLU 217 CO 0.00 -1.23 0.00 0.41 0.02 0.00 0.00 175.26 174.47 1nrs n GLY 219 N 4.00 -1.81 2.78 -1.39 0.00 -1.26 -4.73 105.19 102.78 1nrs n GLY 219 Ca 0.14 -1.66 -0.19 0.00 0.00 0.00 0.00 46.02 44.31 1nrs n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nrs n ASP 221 N 4.53 -6.06 -4.87 0.00 2.03 -1.26 -4.36 116.55 106.55 1nrs n ASP 221 Ca -0.19 -0.56 -0.34 0.00 0.52 0.00 0.00 54.79 54.23 1nrs n ASP 221 Cb 0.50 -4.79 -0.05 0.00 -0.72 0.00 0.00 41.12 36.06 1nrs n ASP 221 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nrs s ARG 221 N -6.32 3.75 0.42 -0.67 1.70 -1.26 -4.93 118.95 111.65 1nrs s ARG 221 Ca 0.58 0.16 -0.26 0.00 -0.47 0.00 0.00 55.73 55.74 1nrs s ARG 221 Cb -0.26 -2.90 -0.09 0.00 -0.57 0.00 0.00 34.95 31.13 1nrs s ARG 221 CO 0.71 0.49 1.36 -0.51 -1.08 0.00 0.00 175.30 176.27 1nrs s ASP 222 N -2.01 6.13 0.00 -2.89 1.01 -1.26 -1.48 116.67 116.16 1nrs s ASP 222 Ca 0.38 2.78 0.00 0.00 0.71 0.00 0.00 52.55 56.41 1nrs s ASP 222 Cb -0.13 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.15 1nrs s ASP 222 CO 0.20 -0.99 0.00 0.61 0.21 0.00 0.00 175.17 175.20 1nrs n GLY 223 N 0.62 0.48 3.55 0.21 0.00 -1.26 -5.03 105.19 103.76 1nrs n GLY 223 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 1nrs n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nrs s LYS 224 N -0.50 1.96 0.26 1.61 -0.14 -0.55 -4.71 119.74 117.66 1nrs s LYS 224 Ca 0.00 -1.64 0.03 0.00 -1.36 0.00 0.00 55.97 53.00 1nrs s LYS 224 Cb 0.00 -1.93 -0.05 0.00 -1.68 0.00 0.00 37.83 34.17 1nrs s LYS 224 CO 0.00 0.32 0.04 0.71 -0.76 0.00 0.00 175.35 175.65 1nrs s TYR 225 N -2.44 1.64 0.21 3.18 2.02 -1.26 -4.75 117.35 115.94 1nrs s TYR 225 Ca 0.31 -1.00 -0.05 0.00 -0.37 0.00 0.00 57.07 55.97 1nrs s TYR 225 Cb -0.05 -0.99 -0.05 0.00 -0.40 0.00 0.00 41.96 40.47 1nrs s TYR 225 CO 0.17 -0.11 0.45 0.20 -1.57 0.00 0.00 175.55 174.70 1nrs s GLY 226 N -3.35 2.03 -0.05 0.71 0.00 -0.19 -4.61 107.32 101.87 1nrs s GLY 226 Ca 0.33 -0.58 0.04 0.00 0.00 0.00 0.00 44.72 44.50 1nrs s GLY 226 CO 0.11 -0.49 -0.17 -1.36 0.00 0.00 0.00 173.10 171.20 1nrs s PHE 227 N -1.85 2.64 0.01 1.90 0.40 0.22 -1.42 117.98 119.88 1nrs s PHE 227 Ca 0.42 -0.29 0.06 0.00 -0.60 0.00 0.00 56.93 56.52 1nrs s PHE 227 Cb -0.11 -1.63 -0.02 0.00 0.51 0.00 0.00 43.02 41.77 1nrs s PHE 227 CO 0.27 0.08 -0.18 0.71 0.70 0.00 0.00 175.22 176.80 1nrs s TYR 228 N -0.55 1.60 0.28 0.36 1.51 -0.39 -1.31 117.35 118.85 1nrs s TYR 228 Ca 0.08 -0.32 -0.29 0.00 -1.01 0.00 0.00 57.07 55.52 1nrs s TYR 228 Cb -0.11 -1.00 -0.10 0.00 -0.11 0.00 0.00 41.96 40.64 1nrs s TYR 228 CO 0.01 0.01 1.13 0.99 -1.11 0.00 0.00 175.55 176.59 1nrs s THR 229 N -0.57 3.38 -0.65 -0.71 2.01 0.70 -2.47 115.64 117.34 1nrs s THR 229 Ca 0.06 1.38 -0.25 0.00 0.31 0.00 0.00 61.69 63.19 1nrs s THR 229 Cb -0.07 -3.88 0.05 0.00 0.01 0.00 0.00 72.50 68.61 1nrs s THR 229 CO 0.00 0.32 1.07 -2.28 -0.69 0.00 0.00 174.62 173.05 1nrs s HIS 230 N -1.10 2.58 0.10 4.92 2.46 0.23 -2.97 115.29 121.50 1nrs s HIS 230 Ca 0.45 -0.19 -0.19 0.00 0.47 0.00 0.00 55.06 55.61 1nrs s HIS 230 Cb -0.33 -4.36 -0.07 0.00 -0.13 0.00 0.00 32.58 27.69 1nrs s HIS 230 CO 0.43 -1.69 1.60 0.28 -2.47 0.00 0.00 174.74 172.88 1nrs h VAL 231 N 6.02 1.21 -0.46 0.89 2.07 -1.72 -2.72 116.25 121.53 1nrs h VAL 231 Ca -0.28 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 1nrs h VAL 231 Cb 1.06 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1nrs h VAL 231 CO 1.19 0.22 0.27 0.15 0.02 0.00 0.00 177.57 179.42 1nrs h PHE 232 N 0.24 0.60 0.00 1.57 3.57 -1.87 -2.16 116.94 118.89 1nrs h PHE 232 Ca 0.08 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1nrs h PHE 232 Cb 0.27 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1nrs h PHE 232 CO 0.01 0.41 -0.18 0.00 -2.23 0.00 0.00 178.31 176.32 1nrs h ARG 233 N 0.64 0.00 -0.01 1.11 3.08 -1.86 -2.99 114.38 114.35 1nrs h ARG 233 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1nrs h ARG 233 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1nrs h ARG 233 CO -0.03 0.18 -0.20 1.28 -1.07 0.00 0.00 179.97 180.12 1nrs n LEU 234 N -4.07 1.44 -0.34 3.04 4.77 -0.85 -4.64 117.00 116.35 1nrs n LEU 234 Ca -0.02 -0.45 0.14 0.00 -0.03 0.00 0.00 56.01 55.65 1nrs n LEU 234 Cb 0.25 -0.06 0.33 0.00 -2.33 0.00 0.00 43.42 41.62 1nrs n LEU 234 CO 0.34 0.26 1.16 0.50 -1.33 0.00 0.00 177.39 178.32 1nrs h LYS 235 N 1.95 0.64 0.12 3.23 3.11 -1.30 -0.92 116.57 123.39 1nrs h LYS 235 Ca 0.00 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.80 1nrs h LYS 235 Cb 0.58 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.66 1nrs h LYS 235 CO 0.00 0.43 -0.06 0.87 -2.81 0.00 0.00 179.45 177.88 1nrs h LYS 236 N 0.66 -0.15 -0.81 1.90 1.57 -1.83 0.16 116.57 118.07 1nrs h LYS 236 Ca 0.59 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.51 1nrs h LYS 236 Cb 1.00 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 33.26 1nrs h LYS 236 CO -0.43 -0.03 0.41 2.35 -0.57 0.00 0.00 179.45 181.18 1nrs h TRP 237 N -0.23 0.73 0.22 -1.35 7.01 -1.57 -2.24 115.95 118.52 1nrs h TRP 237 Ca -0.02 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 1nrs h TRP 237 Cb 0.19 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.05 1nrs h TRP 237 CO -0.05 0.20 -0.11 0.82 -2.79 0.00 0.00 178.44 176.51 1nrs h ILE 238 N 0.62 0.84 -0.52 2.65 2.04 0.03 -2.69 117.51 120.47 1nrs h ILE 238 Ca 0.43 -0.36 0.11 0.00 1.00 0.00 0.00 64.86 66.04 1nrs h ILE 238 Cb 0.57 1.05 -0.10 0.00 -0.74 0.00 0.00 36.82 37.60 1nrs h ILE 238 CO -0.34 0.08 -0.14 1.56 0.00 0.00 0.00 178.15 179.31 1nrs h GLN 239 N -0.48 -0.01 -0.21 2.37 7.50 -0.21 -2.15 115.11 121.91 1nrs h GLN 239 Ca -0.03 0.00 0.06 0.00 0.50 0.00 0.00 58.65 59.18 1nrs h GLN 239 Cb 0.36 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 27.83 1nrs h GLN 239 CO 0.05 -0.01 -0.21 -0.22 -1.50 0.00 0.00 178.83 176.94 1nrs h LYS 240 N -0.01 -0.22 0.00 1.46 1.63 -1.45 -0.15 116.57 117.83 1nrs h LYS 240 Ca 0.25 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.06 1nrs h LYS 240 Cb 0.39 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1nrs h LYS 240 CO -0.55 -0.14 -0.04 -0.39 -3.45 0.00 0.00 179.45 174.88 1nrs h VAL 241 N -0.22 0.11 0.17 2.00 -1.51 -1.05 -2.94 116.25 112.80 1nrs h VAL 241 Ca 0.13 -0.63 -0.23 0.00 -1.23 0.00 0.00 66.70 64.74 1nrs h VAL 241 Cb 0.42 1.56 0.03 0.00 -2.13 0.00 0.00 31.29 31.17 1nrs h VAL 241 CO -0.35 0.04 -1.00 0.40 -1.23 0.00 0.00 177.57 175.44 1nrs h ILE 242 N 0.00 1.45 -0.82 7.19 2.04 -0.77 -2.02 117.51 124.58 1nrs h ILE 242 Ca -0.00 -2.58 -0.48 0.00 1.00 0.00 0.00 64.86 62.80 1nrs h ILE 242 Cb 0.56 3.17 -0.25 0.00 -0.74 0.00 0.00 36.82 39.56 1nrs h ILE 242 CO 0.01 0.74 0.61 -0.90 0.00 0.00 0.00 178.15 178.61 1nrs n ASP 243 N -4.01 5.08 0.01 1.72 5.68 -0.17 -0.43 116.55 124.44 1nrs n ASP 243 Ca -0.15 -3.40 -0.02 0.00 -0.50 0.00 0.00 54.79 50.72 1nrs n ASP 243 Cb 0.90 -0.87 -0.01 0.00 -1.14 0.00 0.00 41.12 40.01 1nrs n ASP 243 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1nrs n GLN 244 N -0.70 0.12 0.00 0.11 7.27 -1.11 -4.75 117.38 118.31 1nrs n GLN 244 Ca 0.50 0.05 0.08 0.00 0.07 0.00 0.00 57.00 57.69 1nrs n GLN 244 Cb 1.13 -0.67 0.04 0.00 2.41 0.00 0.00 30.24 33.14 1nrs n GLN 244 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1nrs n PHE 245 N -3.62 0.00 1.62 3.69 3.01 -0.76 -5.10 117.46 116.30 1nrs n PHE 245 Ca -0.03 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.57 1nrs n PHE 245 Cb 0.11 0.00 0.63 0.00 -0.01 0.00 0.00 39.48 40.22 1nrs n PHE 245 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18