#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rd3 s VAL 17 N 0.00 5.28 -1.47 1.39 1.01 -0.07 -4.21 120.40 122.32 1rd3 s VAL 17 Ca 0.00 0.55 -0.05 0.00 0.00 0.00 0.00 61.98 62.49 1rd3 s VAL 17 Cb 0.00 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.78 1rd3 s VAL 17 CO 0.00 0.48 0.63 -0.62 0.00 0.00 0.00 175.10 175.59 1rd3 n GLU 18 N 2.82 -4.93 0.00 2.72 -0.58 -1.26 -1.14 120.64 118.27 1rd3 n GLU 18 Ca -0.14 0.87 0.00 0.00 -0.42 0.00 0.00 57.16 57.47 1rd3 n GLU 18 Cb 0.53 -5.65 0.00 0.00 -0.57 0.00 0.00 31.44 25.74 1rd3 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rd3 n GLY 19 N -1.53 2.19 3.53 0.62 0.00 -1.26 -4.41 105.19 104.32 1rd3 n GLY 19 Ca -0.10 -1.91 -0.09 0.00 0.00 0.00 0.00 46.02 43.92 1rd3 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rd3 s SER 20 N -0.84 -0.06 0.14 1.61 1.04 -0.38 -4.91 113.70 110.30 1rd3 s SER 20 Ca 0.00 -0.96 -0.30 0.00 0.48 0.00 0.00 55.95 55.16 1rd3 s SER 20 Cb 0.00 0.55 -0.07 0.00 0.10 0.00 0.00 66.02 66.60 1rd3 s SER 20 CO 0.00 -1.09 1.19 -1.81 0.98 0.00 0.00 173.24 172.51 1rd3 s ASP 21 N -3.03 7.11 0.37 7.02 1.01 -1.26 -0.35 116.67 127.53 1rd3 s ASP 21 Ca 0.24 2.14 -0.26 0.00 0.71 0.00 0.00 52.55 55.37 1rd3 s ASP 21 Cb 0.00 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.25 1rd3 s ASP 21 CO 0.08 -0.39 1.14 0.00 0.21 0.00 0.00 175.17 176.21 1rd3 s ALA 22 N 0.33 3.22 0.79 5.23 0.00 0.11 -4.82 121.76 126.63 1rd3 s ALA 22 Ca 0.55 0.92 -0.11 0.00 0.00 0.00 0.00 51.96 53.31 1rd3 s ALA 22 Cb -0.31 -3.35 0.07 0.00 0.00 0.00 0.00 23.12 19.52 1rd3 s ALA 22 CO 0.34 -0.39 1.09 -1.21 0.00 0.00 0.00 175.76 175.59 1rd3 s GLU 23 N -2.11 2.11 0.10 0.00 2.02 -1.26 -4.88 118.70 114.69 1rd3 s GLU 23 Ca 0.54 0.79 -0.31 0.00 0.02 0.00 0.00 54.97 56.01 1rd3 s GLU 23 Cb -0.30 -1.91 -0.09 0.00 0.10 0.00 0.00 34.13 31.93 1rd3 s GLU 23 CO 0.38 -1.64 1.65 0.42 0.02 0.00 0.00 175.26 176.09 1rd3 s ILE 24 N -3.07 2.86 -1.26 -1.63 -1.09 -1.26 -2.13 121.20 113.63 1rd3 s ILE 24 Ca 0.61 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 59.45 1rd3 s ILE 24 Cb -0.15 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 1rd3 s ILE 24 CO 0.55 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 1rd3 n GLY 25 N 3.96 1.24 0.18 6.18 0.00 -1.26 -4.89 105.19 110.60 1rd3 n GLY 25 Ca 0.15 -0.47 0.07 0.00 0.00 0.00 0.00 46.02 45.77 1rd3 n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1rd3 h MET 26 N 0.00 0.00 -1.92 1.61 -1.53 -1.78 -3.35 114.93 107.97 1rd3 h MET 26 Ca -0.25 0.00 -0.52 0.00 -3.44 0.00 0.00 59.70 55.50 1rd3 h MET 26 Cb 0.80 0.00 -0.38 0.00 -0.55 0.00 0.00 31.60 31.46 1rd3 h MET 26 CO 0.36 0.33 -1.12 0.45 0.14 0.00 0.00 176.91 177.07 1rd3 n SER 27 N -3.28 0.29 0.00 1.39 2.88 -1.26 -4.97 113.62 108.67 1rd3 n SER 27 Ca 0.01 -2.84 0.01 0.00 -1.33 0.00 0.00 58.87 54.72 1rd3 n SER 27 Cb 0.59 -0.53 0.03 0.00 -0.75 0.00 0.00 64.21 63.55 1rd3 n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1rd3 n PRO 28 N 0.99 0.01 -0.06 -1.46 -0.04 -1.26 -0.59 135.00 132.59 1rd3 n PRO 28 Ca 0.22 0.36 0.12 0.00 -0.04 0.00 0.00 63.50 64.16 1rd3 n PRO 28 Cb 0.58 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.75 1rd3 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1rd3 n TRP 29 N -1.38 0.16 -1.98 0.54 2.14 -1.06 -1.10 117.44 114.76 1rd3 n TRP 29 Ca 0.01 -0.08 -0.42 0.00 2.07 0.00 0.00 57.50 59.08 1rd3 n TRP 29 Cb 0.01 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.49 1rd3 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1rd3 s GLN 30 N -1.84 4.24 0.05 -2.67 2.00 0.24 0.09 119.66 121.76 1rd3 s GLN 30 Ca 0.33 2.32 0.05 0.00 -2.00 0.00 0.00 55.36 56.06 1rd3 s GLN 30 Cb 0.21 -3.14 -0.02 0.00 0.80 0.00 0.00 33.01 30.86 1rd3 s GLN 30 CO 0.31 -0.52 -0.13 0.08 -0.50 0.00 0.00 175.29 174.52 1rd3 s VAL 31 N 0.64 1.05 -0.20 1.34 1.01 -0.09 -3.97 120.40 120.17 1rd3 s VAL 31 Ca 0.65 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1rd3 s VAL 31 Cb -0.43 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 34.98 1rd3 s VAL 31 CO 0.37 -0.08 -0.10 -0.04 0.00 0.00 0.00 175.10 175.25 1rd3 s MET 32 N -1.29 3.24 -0.04 2.72 -1.94 -0.20 -1.58 119.30 120.20 1rd3 s MET 32 Ca -0.00 -0.70 -0.21 0.00 -1.71 0.00 0.00 55.69 53.07 1rd3 s MET 32 Cb -0.08 -2.84 -0.05 0.00 2.01 0.00 0.00 34.83 33.87 1rd3 s MET 32 CO 0.01 -0.18 0.62 -1.17 -0.01 0.00 0.00 175.02 174.29 1rd3 s LEU 33 N 1.36 4.36 0.20 -0.03 0.20 -0.68 -1.49 118.68 122.61 1rd3 s LEU 33 Ca 0.05 1.12 0.06 0.00 0.69 0.00 0.00 54.13 56.05 1rd3 s LEU 33 Cb -0.14 -2.95 -0.05 0.00 -0.43 0.00 0.00 46.19 42.62 1rd3 s LEU 33 CO -0.06 0.01 -0.10 -0.36 -0.29 0.00 0.00 176.35 175.54 1rd3 s PHE 34 N 0.30 1.61 -0.13 5.38 0.40 0.83 -0.69 117.98 125.68 1rd3 s PHE 34 Ca 0.33 -0.68 -0.06 0.00 -0.60 0.00 0.00 56.93 55.91 1rd3 s PHE 34 Cb -0.18 -0.81 -0.04 0.00 0.51 0.00 0.00 43.02 42.50 1rd3 s PHE 34 CO 0.17 0.23 0.09 0.50 0.70 0.00 0.00 175.22 176.91 1rd3 s ARG 35 N -3.71 3.46 0.02 0.44 3.52 -0.41 -1.46 118.95 120.82 1rd3 s ARG 35 Ca 0.23 -0.23 -0.27 0.00 -0.13 0.00 0.00 55.73 55.32 1rd3 s ARG 35 Cb 0.02 -3.12 -0.15 0.00 -1.56 0.00 0.00 34.95 30.14 1rd3 s ARG 35 CO 0.06 0.65 1.16 0.87 -0.81 0.00 0.00 175.30 177.23 1rd3 h LYS 36 N 5.40 -0.95 -3.56 5.12 1.57 0.07 -3.04 116.57 121.18 1rd3 h LYS 36 Ca -0.50 0.06 -0.39 0.00 -1.87 0.00 0.00 60.65 57.95 1rd3 h LYS 36 Cb 1.20 0.22 -0.37 0.00 0.08 0.00 0.00 32.23 33.36 1rd3 h LYS 36 CO 0.60 -0.63 -0.75 -1.54 -0.57 0.00 0.00 179.45 176.56 1rd3 s SER 36 N -4.30 1.12 0.37 0.86 1.04 -1.26 -1.53 113.70 110.00 1rd3 s SER 36 Ca -0.14 -0.01 -0.25 0.00 0.48 0.00 0.00 55.95 56.03 1rd3 s SER 36 Cb 0.01 -0.27 -0.09 0.00 0.10 0.00 0.00 66.02 65.77 1rd3 s SER 36 CO 0.43 -0.19 1.03 -2.16 0.98 0.00 0.00 173.24 173.33 1rd3 s PRO 37 N 1.80 4.31 -0.73 4.02 0.04 -1.26 -5.03 135.00 138.15 1rd3 s PRO 37 Ca 0.01 1.50 -0.26 0.00 0.04 0.00 0.00 61.00 62.29 1rd3 s PRO 37 Cb -0.12 -2.66 -0.12 0.00 0.04 0.00 0.00 34.50 31.63 1rd3 s PRO 37 CO -0.03 -0.01 2.40 -0.65 0.04 0.00 0.00 177.00 178.74 1rd3 s GLN 38 N -2.30 1.72 -0.01 4.56 -0.21 -0.58 -4.63 119.66 118.21 1rd3 s GLN 38 Ca 0.55 0.65 0.06 0.00 0.02 0.00 0.00 55.36 56.64 1rd3 s GLN 38 Cb -0.22 -4.75 -0.02 0.00 1.00 0.00 0.00 33.01 29.02 1rd3 s GLN 38 CO 0.28 -4.19 -0.20 -1.83 -2.12 0.00 0.00 175.29 167.23 1rd3 s GLU 39 N 8.72 1.58 -0.01 2.91 -1.05 -1.15 -4.94 118.70 124.77 1rd3 s GLU 39 Ca 0.93 -0.71 -0.30 0.00 -0.15 0.00 0.00 54.97 54.74 1rd3 s GLU 39 Cb -0.14 -1.53 -0.05 0.00 -0.44 0.00 0.00 34.13 31.97 1rd3 s GLU 39 CO 0.11 0.42 1.39 -1.17 0.95 0.00 0.00 175.26 176.96 1rd3 s LEU 40 N -0.48 4.31 -0.22 1.83 2.96 -1.26 -1.29 118.68 124.54 1rd3 s LEU 40 Ca 0.08 2.09 -0.16 0.00 -0.22 0.00 0.00 54.13 55.91 1rd3 s LEU 40 Cb -0.08 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.97 1rd3 s LEU 40 CO -0.01 -0.71 -0.32 0.18 -1.32 0.00 0.00 176.35 174.17 1rd3 n LEU 41 N 5.38 1.94 0.00 -0.68 4.77 0.14 -4.95 117.00 123.60 1rd3 n LEU 41 Ca 0.13 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1rd3 n LEU 41 Cb 0.44 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1rd3 n LEU 41 CO 0.58 0.09 0.00 0.00 -1.33 0.00 0.00 177.39 176.74 1rd3 s GLY 43 N -0.88 2.20 0.22 0.00 0.00 -0.23 -1.68 107.32 106.96 1rd3 s GLY 43 Ca 0.00 -2.04 -0.22 0.00 0.00 0.00 0.00 44.72 42.46 1rd3 s GLY 43 CO 0.00 -1.91 0.90 0.00 0.00 0.00 0.00 173.10 172.08 1rd3 s ALA 44 N -2.56 -1.40 0.05 3.20 0.00 -0.62 -3.29 121.76 117.14 1rd3 s ALA 44 Ca 0.37 -0.20 0.04 0.00 0.00 0.00 0.00 51.96 52.17 1rd3 s ALA 44 Cb 0.02 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.83 1rd3 s ALA 44 CO 0.21 -1.04 -0.12 -1.54 0.00 0.00 0.00 175.76 173.27 1rd3 s SER 45 N -3.05 1.40 -0.27 0.00 1.04 0.13 -0.92 113.70 112.03 1rd3 s SER 45 Ca 0.14 -0.54 -0.22 0.00 0.48 0.00 0.00 55.95 55.81 1rd3 s SER 45 Cb -0.03 -0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 1rd3 s SER 45 CO 0.05 -0.08 0.71 -0.22 0.98 0.00 0.00 173.24 174.67 1rd3 s LEU 46 N -1.50 4.08 -0.02 2.42 2.96 0.11 -0.32 118.68 126.41 1rd3 s LEU 46 Ca -0.03 0.73 0.09 0.00 -0.22 0.00 0.00 54.13 54.69 1rd3 s LEU 46 Cb -0.09 -2.97 0.25 0.00 0.50 0.00 0.00 46.19 43.88 1rd3 s LEU 46 CO 0.01 -0.47 1.20 2.30 -1.32 0.00 0.00 176.35 178.08 1rd3 n ILE 47 N 5.31 1.14 0.00 6.68 -5.35 -0.69 -1.38 119.36 125.06 1rd3 n ILE 47 Ca 0.02 -1.11 0.00 0.00 -0.27 0.00 0.00 62.75 61.38 1rd3 n ILE 47 Cb 0.48 0.41 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 1rd3 n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1rd3 n SER 48 N 0.11 0.00 0.25 7.28 3.41 -1.22 -4.75 113.62 118.70 1rd3 n SER 48 Ca 0.10 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.80 1rd3 n SER 48 Cb 0.43 0.00 0.63 0.00 -0.26 0.00 0.00 64.21 65.01 1rd3 n SER 48 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1rd3 h ASP 49 N 0.00 0.00 0.00 4.04 2.03 -1.97 -3.28 116.42 117.24 1rd3 h ASP 49 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1rd3 h ASP 49 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1rd3 h ASP 49 CO 0.00 0.15 0.00 0.54 -1.03 0.00 0.00 179.24 178.90 1rd3 n ARG 50 N -3.96 3.80 -4.73 4.15 1.74 -1.26 -1.03 116.66 115.37 1rd3 n ARG 50 Ca -0.02 -0.18 -0.33 0.00 -0.77 0.00 0.00 57.85 56.55 1rd3 n ARG 50 Cb 0.24 -0.66 -0.12 0.00 -1.02 0.00 0.00 32.46 30.89 1rd3 n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1rd3 s TRP 51 N -0.59 2.84 -0.06 -1.55 0.52 -1.24 -0.32 118.94 118.54 1rd3 s TRP 51 Ca 0.00 -0.12 0.03 0.00 0.02 0.00 0.00 56.10 56.02 1rd3 s TRP 51 Cb 0.00 -1.70 0.01 0.00 -1.15 0.00 0.00 33.47 30.62 1rd3 s TRP 51 CO 0.00 0.21 -0.13 0.08 0.02 0.00 0.00 176.95 177.13 1rd3 s VAL 52 N -0.61 1.14 -0.10 4.03 1.01 -0.47 -1.71 120.40 123.69 1rd3 s VAL 52 Ca 0.09 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 1rd3 s VAL 52 Cb -0.11 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1rd3 s VAL 52 CO 0.02 0.35 0.11 -0.22 0.00 0.00 0.00 175.10 175.36 1rd3 s LEU 53 N 0.51 4.22 0.00 3.92 2.96 0.56 -1.14 118.68 129.72 1rd3 s LEU 53 Ca -0.12 0.39 -0.05 0.00 -0.22 0.00 0.00 54.13 54.13 1rd3 s LEU 53 Cb -0.14 -2.06 0.02 0.00 0.50 0.00 0.00 46.19 44.51 1rd3 s LEU 53 CO 0.03 0.39 0.36 1.07 -1.32 0.00 0.00 176.35 176.88 1rd3 n THR 54 N 1.93 0.00 -3.57 3.68 5.66 -0.54 0.19 114.28 121.62 1rd3 n THR 54 Ca -0.19 -0.69 -0.37 0.00 -3.05 0.00 0.00 64.05 59.75 1rd3 n THR 54 Cb 0.55 0.55 -0.07 0.00 -1.55 0.00 0.00 70.33 69.81 1rd3 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rd3 s ALA 55 N -1.82 3.67 0.16 1.79 0.00 -1.26 -1.16 121.76 123.14 1rd3 s ALA 55 Ca 0.11 -0.41 -0.16 0.00 0.00 0.00 0.00 51.96 51.51 1rd3 s ALA 55 Cb -0.02 -2.33 0.10 0.00 0.00 0.00 0.00 23.12 20.87 1rd3 s ALA 55 CO 0.08 0.29 1.71 0.00 0.00 0.00 0.00 175.76 177.85 1rd3 h ALA 56 N 5.81 0.39 0.00 0.00 0.00 -1.68 -1.24 119.26 122.54 1rd3 h ALA 56 Ca -0.47 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1rd3 h ALA 56 Cb 1.19 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1rd3 h ALA 56 CO 0.68 -0.36 0.00 -2.39 0.00 0.00 0.00 179.25 177.19 1rd3 n HIS 57 N -5.14 0.00 0.14 0.00 1.44 -1.26 0.40 115.22 110.81 1rd3 n HIS 57 Ca 0.02 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.77 1rd3 n HIS 57 Cb 0.19 -0.22 0.03 0.00 0.12 0.00 0.00 29.99 30.11 1rd3 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1rd3 n LEU 59 N -3.13 2.89 -3.78 0.00 4.77 0.16 -4.91 117.00 113.00 1rd3 n LEU 59 Ca 0.01 -0.09 -0.28 0.00 -0.03 0.00 0.00 56.01 55.62 1rd3 n LEU 59 Cb 0.70 -0.70 -0.16 0.00 -2.33 0.00 0.00 43.42 40.93 1rd3 n LEU 59 CO 0.40 0.82 -0.38 -0.22 -1.33 0.00 0.00 177.39 176.68 1rd3 s LEU 60 N -6.25 1.45 0.24 2.23 2.96 -0.09 -0.75 118.68 118.49 1rd3 s LEU 60 Ca -0.27 -0.87 -0.18 0.00 -0.22 0.00 0.00 54.13 52.58 1rd3 s LEU 60 Cb 0.07 -0.72 0.02 0.00 0.50 0.00 0.00 46.19 46.07 1rd3 s LEU 60 CO 0.46 -0.29 0.61 -0.47 -1.32 0.00 0.00 176.35 175.34 1rd3 s TYR 60 N 1.76 -0.07 0.00 5.38 5.04 0.89 -4.00 117.35 126.35 1rd3 s TYR 60 Ca -0.02 -0.32 0.00 0.00 -2.44 0.00 0.00 57.07 54.29 1rd3 s TYR 60 Cb -0.17 0.50 0.00 0.00 0.35 0.00 0.00 41.96 42.64 1rd3 s TYR 60 CO -0.07 -1.07 0.00 -2.30 -1.34 0.00 0.00 175.55 170.76 1rd3 n PRO 60 N -0.41 0.00 -0.68 4.97 -0.02 -1.26 -2.09 135.00 135.52 1rd3 n PRO 60 Ca -0.06 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1rd3 n PRO 60 Cb 0.61 -0.09 0.21 0.00 -0.02 0.00 0.00 33.50 34.21 1rd3 n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1rd3 n TRP 60 N 0.00 0.99 -3.67 6.00 8.01 -1.26 -4.95 117.44 122.56 1rd3 n TRP 60 Ca 0.00 -1.40 -0.27 0.00 -1.31 0.00 0.00 57.50 54.52 1rd3 n TRP 60 Cb 0.00 -0.43 0.03 0.00 -2.01 0.00 0.00 31.31 28.90 1rd3 n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1rd3 n ASP 60 N -1.00 -5.05 -4.42 -0.99 10.43 -1.18 -4.96 116.55 109.38 1rd3 n ASP 60 Ca 0.29 -0.62 -0.36 0.00 2.57 0.00 0.00 54.79 56.68 1rd3 n ASP 60 Cb 0.98 -4.05 -0.13 0.00 1.84 0.00 0.00 41.12 39.76 1rd3 n ASP 60 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1rd3 s LYS 60 N -6.36 3.59 -0.31 -1.24 1.02 -0.89 -5.01 119.74 110.54 1rd3 s LYS 60 Ca 0.57 -0.52 0.05 0.00 0.02 0.00 0.00 55.97 56.09 1rd3 s LYS 60 Cb -0.28 -3.19 0.18 0.00 -0.52 0.00 0.00 37.83 34.02 1rd3 s LYS 60 CO 0.70 -0.13 0.54 1.21 -0.92 0.00 0.00 175.35 176.75 1rd3 s ASN 60 N 1.41 -0.97 0.07 2.83 3.84 -1.18 -0.08 114.94 120.87 1rd3 s ASN 60 Ca 0.05 -0.18 0.06 0.00 0.21 0.00 0.00 52.86 53.00 1rd3 s ASN 60 Cb -0.15 1.72 -0.04 0.00 -0.55 0.00 0.00 41.25 42.24 1rd3 s ASN 60 CO 0.02 -0.29 -0.07 -0.36 -2.79 0.00 0.00 177.10 173.60 1rd3 s PHE 60 N 2.55 2.83 0.21 0.43 0.08 0.07 -5.02 117.98 119.13 1rd3 s PHE 60 Ca 0.11 -0.10 0.11 0.00 0.12 0.00 0.00 56.93 57.17 1rd3 s PHE 60 Cb -0.10 -1.50 -0.04 0.00 -0.57 0.00 0.00 43.02 40.80 1rd3 s PHE 60 CO -0.23 0.42 -0.21 0.95 -0.10 0.00 0.00 175.22 176.05 1rd3 s THR 60 N -1.17 2.51 0.44 0.64 -4.23 -1.26 -4.89 115.64 107.67 1rd3 s THR 60 Ca 0.21 -2.05 0.39 0.00 -1.18 0.00 0.00 61.69 59.06 1rd3 s THR 60 Cb -0.11 -2.23 0.57 0.00 1.34 0.00 0.00 72.50 72.07 1rd3 s THR 60 CO 0.13 -0.17 1.30 -0.62 -0.54 0.00 0.00 174.62 174.71 1rd3 n GLU 61 N 0.05 -0.01 0.02 3.99 4.71 -1.26 -0.30 120.64 127.85 1rd3 n GLU 61 Ca -0.11 0.93 -0.06 0.00 -0.01 0.00 0.00 57.16 57.91 1rd3 n GLU 61 Cb 0.57 -2.07 -0.12 0.00 -1.01 0.00 0.00 31.44 28.81 1rd3 n GLU 61 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 1rd3 h ASN 62 N 0.00 0.00 0.36 1.62 4.21 -1.96 -3.31 115.58 116.50 1rd3 h ASN 62 Ca 0.77 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 58.24 1rd3 h ASN 62 Cb 2.97 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 40.16 1rd3 h ASN 62 CO -0.10 0.90 -0.19 0.44 -1.29 0.00 0.00 177.43 177.20 1rd3 h ASP 63 N 0.00 0.00 -2.02 5.81 3.32 -1.05 -3.44 116.42 119.04 1rd3 h ASP 63 Ca -0.18 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.42 1rd3 h ASP 63 Cb 1.84 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.39 1rd3 h ASP 63 CO 0.09 0.19 -0.40 -0.76 -1.72 0.00 0.00 179.24 176.63 1rd3 s LEU 64 N -7.73 4.13 -0.08 1.55 1.43 -1.20 0.77 118.68 117.55 1rd3 s LEU 64 Ca -0.03 -0.07 -0.21 0.00 -1.03 0.00 0.00 54.13 52.79 1rd3 s LEU 64 Cb 0.14 -2.76 0.05 0.00 0.03 0.00 0.00 46.19 43.64 1rd3 s LEU 64 CO 0.64 -0.22 0.50 -0.22 0.23 0.00 0.00 176.35 177.28 1rd3 s LEU 65 N -4.05 0.10 0.14 1.79 0.20 -0.53 -4.50 118.68 111.83 1rd3 s LEU 65 Ca 0.38 0.60 0.10 0.00 0.69 0.00 0.00 54.13 55.90 1rd3 s LEU 65 Cb -0.09 1.84 -0.04 0.00 -0.43 0.00 0.00 46.19 47.47 1rd3 s LEU 65 CO 0.29 -0.41 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.07 1rd3 s VAL 66 N -0.76 2.76 -0.10 1.68 1.01 -0.63 -0.12 120.40 124.24 1rd3 s VAL 66 Ca -0.08 -1.64 -0.01 0.00 0.00 0.00 0.00 61.98 60.25 1rd3 s VAL 66 Cb -0.03 -2.29 0.03 0.00 0.00 0.00 0.00 36.38 34.10 1rd3 s VAL 66 CO 0.05 0.03 -0.01 -0.13 0.00 0.00 0.00 175.10 175.04 1rd3 s ARG 67 N -2.32 0.82 0.23 2.72 0.52 -0.55 -1.36 118.95 119.01 1rd3 s ARG 67 Ca 0.19 -0.07 0.08 0.00 -0.52 0.00 0.00 55.73 55.41 1rd3 s ARG 67 Cb -0.10 -1.31 -0.04 0.00 0.52 0.00 0.00 34.95 34.02 1rd3 s ARG 67 CO 0.10 -0.36 0.02 0.42 0.02 0.00 0.00 175.30 175.51 1rd3 s ILE 68 N 1.89 3.68 0.00 1.52 1.01 0.67 -1.03 121.20 128.94 1rd3 s ILE 68 Ca 0.04 -1.66 0.00 0.00 0.00 0.00 0.00 60.65 59.03 1rd3 s ILE 68 Cb -0.13 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.41 1rd3 s ILE 68 CO -0.06 -0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.22 1rd3 n GLY 69 N -0.64 2.08 3.76 6.18 0.00 -1.25 -0.04 105.19 115.29 1rd3 n GLY 69 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1rd3 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rd3 s LYS 70 N -0.04 2.80 0.00 1.61 1.02 -1.26 -4.45 119.74 119.42 1rd3 s LYS 70 Ca 0.00 1.48 0.00 0.00 0.02 0.00 0.00 55.97 57.47 1rd3 s LYS 70 Cb 0.00 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 1rd3 s LYS 70 CO 0.00 -1.27 0.00 1.58 -0.92 0.00 0.00 175.35 174.74 1rd3 n HIS 71 N -2.27 0.00 -4.84 3.18 -0.00 -1.26 -4.92 115.22 105.11 1rd3 n HIS 71 Ca 0.11 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.51 1rd3 n HIS 71 Cb 0.52 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 30.34 1rd3 n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1rd3 s SER 72 N -1.03 3.11 0.36 0.26 0.15 -1.26 -1.31 113.70 113.98 1rd3 s SER 72 Ca 0.00 -0.59 0.09 0.00 0.70 0.00 0.00 55.95 56.15 1rd3 s SER 72 Cb 0.00 -1.44 0.67 0.00 -1.71 0.00 0.00 66.02 63.55 1rd3 s SER 72 CO 0.00 0.11 1.83 -0.09 1.20 0.00 0.00 173.24 176.29 1rd3 h ARG 73 N 7.13 0.20 0.00 5.44 2.43 -0.23 -3.39 114.38 125.96 1rd3 h ARG 73 Ca -0.28 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1rd3 h ARG 73 Cb 1.21 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1rd3 h ARG 73 CO 0.53 0.45 0.00 0.25 -1.51 0.00 0.00 179.97 179.69 1rd3 n THR 74 N -4.17 0.00 -1.42 0.20 -2.24 -1.26 -4.96 114.28 100.43 1rd3 n THR 74 Ca -0.01 0.00 -0.54 0.00 -2.27 0.00 0.00 64.05 61.22 1rd3 n THR 74 Cb 0.36 -0.21 -0.07 0.00 -2.10 0.00 0.00 70.33 68.31 1rd3 n THR 74 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1rd3 n ARG 75 N -0.29 0.00 -2.78 -0.78 0.63 -1.26 -4.91 116.66 107.27 1rd3 n ARG 75 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 1rd3 n ARG 75 Cb 0.00 -1.33 -0.03 0.00 0.45 0.00 0.00 32.46 31.54 1rd3 n ARG 75 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 1rd3 s TYR 76 N -0.22 3.44 -0.90 -0.14 5.04 -1.26 -4.71 117.35 118.59 1rd3 s TYR 76 Ca 0.82 1.41 -0.14 0.00 -2.44 0.00 0.00 57.07 56.72 1rd3 s TYR 76 Cb -1.15 -3.12 0.21 0.00 0.35 0.00 0.00 41.96 38.25 1rd3 s TYR 76 CO 0.55 -0.27 0.92 -1.21 -1.34 0.00 0.00 175.55 174.20 1rd3 s GLU 77 N 2.26 3.70 0.21 4.97 2.02 -1.26 -5.03 118.70 125.57 1rd3 s GLU 77 Ca 0.43 -2.42 -0.32 0.00 0.02 0.00 0.00 54.97 52.68 1rd3 s GLU 77 Cb -0.17 -4.58 -0.12 0.00 0.10 0.00 0.00 34.13 29.36 1rd3 s GLU 77 CO 0.13 -1.41 1.73 -2.13 0.02 0.00 0.00 175.26 173.60 1rd3 n ARG 77 N 4.44 2.78 -1.66 1.61 0.63 -1.26 -1.38 116.66 121.81 1rd3 n ARG 77 Ca 0.18 1.00 -0.15 0.00 -0.92 0.00 0.00 57.85 57.96 1rd3 n ARG 77 Cb 0.46 -2.85 -0.05 0.00 0.45 0.00 0.00 32.46 30.47 1rd3 n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1rd3 n ASN 78 N 4.00 -4.76 0.04 6.15 5.03 -1.26 -4.77 115.26 119.69 1rd3 n ASN 78 Ca 0.16 0.27 0.00 0.00 0.87 0.00 0.00 54.58 55.88 1rd3 n ASN 78 Cb 0.35 -3.67 0.00 0.00 -1.02 0.00 0.00 39.78 35.43 1rd3 n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1rd3 n ILE 79 N -2.94 0.14 -2.26 2.41 5.41 -0.85 -5.09 119.36 116.18 1rd3 n ILE 79 Ca -0.16 0.05 -0.29 0.00 1.00 0.00 0.00 62.75 63.35 1rd3 n ILE 79 Cb 0.53 -0.86 0.02 0.00 -0.71 0.00 0.00 39.64 38.62 1rd3 n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1rd3 s GLU 80 N -2.00 3.27 -0.05 0.38 -1.05 -0.48 -4.62 118.70 114.15 1rd3 s GLU 80 Ca 0.00 0.32 -0.02 0.00 -0.15 0.00 0.00 54.97 55.12 1rd3 s GLU 80 Cb 0.00 -2.21 0.03 0.00 -0.44 0.00 0.00 34.13 31.51 1rd3 s GLU 80 CO 0.00 -0.57 0.11 0.15 0.95 0.00 0.00 175.26 175.89 1rd3 s LYS 81 N -5.02 0.06 0.19 -4.83 3.01 0.95 -4.95 119.74 109.14 1rd3 s LYS 81 Ca 0.53 0.28 -0.01 0.00 -1.01 0.00 0.00 55.97 55.76 1rd3 s LYS 81 Cb -0.11 -0.16 -0.04 0.00 -1.01 0.00 0.00 37.83 36.51 1rd3 s LYS 81 CO 0.48 -0.14 0.39 0.42 0.51 0.00 0.00 175.35 177.01 1rd3 s ILE 82 N 0.97 5.20 -0.23 2.17 1.01 -1.26 -0.24 121.20 128.82 1rd3 s ILE 82 Ca -0.08 -0.30 -0.16 0.00 0.00 0.00 0.00 60.65 60.12 1rd3 s ILE 82 Cb -0.10 -3.72 0.07 0.00 0.01 0.00 0.00 42.46 38.72 1rd3 s ILE 82 CO -0.04 -0.15 0.58 -0.55 0.00 0.00 0.00 174.94 174.78 1rd3 s SER 83 N -3.06 -0.71 0.61 3.58 0.15 -0.46 -4.97 113.70 108.84 1rd3 s SER 83 Ca 0.39 1.23 -0.07 0.00 0.70 0.00 0.00 55.95 58.20 1rd3 s SER 83 Cb -0.11 1.16 0.00 0.00 -1.71 0.00 0.00 66.02 65.36 1rd3 s SER 83 CO 0.28 -0.21 0.94 -0.32 1.20 0.00 0.00 173.24 175.13 1rd3 s MET 84 N 1.05 3.04 -0.16 5.44 1.75 -1.26 -1.60 119.30 127.56 1rd3 s MET 84 Ca -0.06 0.19 -0.07 0.00 -1.25 0.00 0.00 55.69 54.49 1rd3 s MET 84 Cb -0.06 -2.21 -0.04 0.00 2.84 0.00 0.00 34.83 35.36 1rd3 s MET 84 CO -0.10 -0.71 0.09 -0.51 -0.65 0.00 0.00 175.02 173.15 1rd3 s LEU 85 N -5.06 4.03 -0.18 4.11 1.43 -1.26 -1.33 118.68 120.42 1rd3 s LEU 85 Ca 0.54 0.22 -0.22 0.00 -1.03 0.00 0.00 54.13 53.63 1rd3 s LEU 85 Cb -0.11 -2.01 -0.20 0.00 0.03 0.00 0.00 46.19 43.91 1rd3 s LEU 85 CO 0.47 0.25 0.37 -0.08 0.23 0.00 0.00 176.35 177.59 1rd3 h GLU 86 N 6.15 0.00 -3.18 1.70 4.81 -0.27 -3.44 114.58 120.36 1rd3 h GLU 86 Ca -0.43 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.66 1rd3 h GLU 86 Cb 1.18 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 30.34 1rd3 h GLU 86 CO 0.68 0.89 -0.38 0.21 -0.73 0.00 0.00 179.01 179.68 1rd3 s LYS 87 N -2.27 0.48 -0.13 1.92 2.47 -1.14 -4.94 119.74 116.12 1rd3 s LYS 87 Ca -0.23 -0.02 -0.02 0.00 -1.56 0.00 0.00 55.97 54.14 1rd3 s LYS 87 Cb 0.02 0.21 -0.03 0.00 -1.46 0.00 0.00 37.83 36.58 1rd3 s LYS 87 CO 0.58 -0.11 -0.06 0.42 0.16 0.00 0.00 175.35 176.34 1rd3 s ILE 88 N -0.76 3.69 -0.23 5.43 1.01 -1.26 -1.44 121.20 127.64 1rd3 s ILE 88 Ca -0.08 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.13 1rd3 s ILE 88 Cb -0.04 -2.58 0.06 0.00 0.01 0.00 0.00 42.46 39.90 1rd3 s ILE 88 CO 0.02 0.52 -0.06 -0.31 0.00 0.00 0.00 174.94 175.11 1rd3 s TYR 89 N 0.12 2.36 -0.19 3.97 2.02 0.60 -5.00 117.35 121.22 1rd3 s TYR 89 Ca -0.02 -1.71 -0.07 0.00 -0.37 0.00 0.00 57.07 54.90 1rd3 s TYR 89 Cb -0.14 -1.57 -0.04 0.00 -0.40 0.00 0.00 41.96 39.82 1rd3 s TYR 89 CO 0.03 -0.76 0.05 0.42 -1.57 0.00 0.00 175.55 173.72 1rd3 s ILE 90 N 1.41 4.57 0.07 2.71 1.01 -1.26 -0.18 121.20 129.53 1rd3 s ILE 90 Ca -0.05 -0.11 -0.37 0.00 0.00 0.00 0.00 60.65 60.12 1rd3 s ILE 90 Cb -0.18 -3.06 -0.17 0.00 0.01 0.00 0.00 42.46 39.05 1rd3 s ILE 90 CO -0.06 0.44 1.25 1.57 0.00 0.00 0.00 174.94 178.14 1rd3 n HIS 91 N 3.76 1.26 -0.07 3.97 -0.00 -1.13 -4.84 115.22 118.16 1rd3 n HIS 91 Ca -0.17 0.75 0.09 0.00 -0.00 0.00 0.00 57.72 58.39 1rd3 n HIS 91 Cb 0.52 -2.26 0.46 0.00 -0.00 0.00 0.00 29.99 28.71 1rd3 n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1rd3 h PRO 92 N 4.04 0.47 -0.65 1.57 0.13 -1.94 -2.49 132.00 133.12 1rd3 h PRO 92 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1rd3 h PRO 92 Cb 1.36 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1rd3 h PRO 92 CO 0.74 0.31 0.00 0.54 -0.23 0.00 0.00 178.00 179.36 1rd3 n ARG 93 N -4.47 3.77 -1.77 0.86 1.74 -1.26 -4.94 116.66 110.59 1rd3 n ARG 93 Ca 0.08 -2.43 -0.42 0.00 -0.77 0.00 0.00 57.85 54.31 1rd3 n ARG 93 Cb 0.27 -1.99 -0.03 0.00 -1.02 0.00 0.00 32.46 29.70 1rd3 n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1rd3 s TYR 94 N -2.17 1.46 -0.52 -1.55 5.04 -0.94 -4.76 117.35 113.90 1rd3 s TYR 94 Ca 0.43 0.10 -0.11 0.00 -2.44 0.00 0.00 57.07 55.04 1rd3 s TYR 94 Cb 0.31 -4.07 0.13 0.00 0.35 0.00 0.00 41.96 38.67 1rd3 s TYR 94 CO 0.15 -4.46 0.42 1.21 -1.34 0.00 0.00 175.55 171.54 1rd3 s ASN 95 N 5.50 5.90 0.13 4.32 2.47 -0.85 -4.89 114.94 127.51 1rd3 s ASN 95 Ca 0.88 -1.97 0.22 0.00 0.42 0.00 0.00 52.86 52.41 1rd3 s ASN 95 Cb -0.35 -2.08 -0.11 0.00 -1.45 0.00 0.00 41.25 37.26 1rd3 s ASN 95 CO 0.36 -0.72 0.86 -2.67 -3.72 0.00 0.00 177.10 171.21 1rd3 n TRP 96 N 4.89 0.70 0.19 0.43 4.27 -1.26 -0.21 117.44 126.45 1rd3 n TRP 96 Ca -0.08 0.20 0.03 0.00 -3.89 0.00 0.00 57.50 53.77 1rd3 n TRP 96 Cb 0.41 -0.84 0.39 0.00 -1.36 0.00 0.00 31.31 29.91 1rd3 n TRP 96 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1rd3 h ARG 97 N 0.00 0.00 0.00 -2.67 3.08 -2.00 -3.42 114.38 109.38 1rd3 h ARG 97 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1rd3 h ARG 97 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1rd3 h ARG 97 CO 0.00 0.33 0.00 0.39 -1.07 0.00 0.00 179.97 179.62 1rd3 n GLU 97 N -4.13 0.00 0.00 0.04 1.02 -1.26 -4.99 120.64 111.33 1rd3 n GLU 97 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1rd3 n GLU 97 Cb 0.37 -0.18 0.00 0.00 -0.02 0.00 0.00 31.44 31.61 1rd3 n GLU 97 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1rd3 n ASN 98 N -2.36 1.27 -1.81 1.62 0.23 -1.25 -4.91 115.26 108.05 1rd3 n ASN 98 Ca 0.00 -1.61 -0.16 0.00 -0.53 0.00 0.00 54.58 52.28 1rd3 n ASN 98 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.69 1rd3 n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1rd3 n LEU 99 N -0.31 -1.72 -4.77 -4.53 4.77 0.70 -4.95 117.00 106.20 1rd3 n LEU 99 Ca 0.00 -0.01 -0.40 0.00 -0.03 0.00 0.00 56.01 55.57 1rd3 n LEU 99 Cb 0.31 -2.36 -0.01 0.00 -2.33 0.00 0.00 43.42 39.03 1rd3 n LEU 99 CO 0.00 -0.17 1.01 -0.62 -1.33 0.00 0.00 177.39 176.28 1rd3 s ASP 100 N -2.28 6.42 -1.34 -1.43 2.15 -1.10 -2.56 116.67 116.52 1rd3 s ASP 100 Ca 0.00 2.76 -0.05 0.00 0.43 0.00 0.00 52.55 55.69 1rd3 s ASP 100 Cb 0.00 -2.65 0.02 0.00 -0.30 0.00 0.00 42.92 39.99 1rd3 s ASP 100 CO 0.00 -0.79 0.95 0.54 -0.17 0.00 0.00 175.17 175.71 1rd3 n ARG 101 N 0.37 -6.23 -2.46 4.34 1.74 -1.26 -2.01 116.66 111.15 1rd3 n ARG 101 Ca 0.02 0.72 -0.43 0.00 -0.77 0.00 0.00 57.85 57.40 1rd3 n ARG 101 Cb 0.42 -5.59 0.00 0.00 -1.02 0.00 0.00 32.46 26.27 1rd3 n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1rd3 n ASP 102 N -3.02 4.80 -3.91 0.55 2.03 -1.06 -4.36 116.55 111.58 1rd3 n ASP 102 Ca -0.15 -2.94 -0.10 0.00 0.52 0.00 0.00 54.79 52.12 1rd3 n ASP 102 Cb 0.62 -1.66 -0.10 0.00 -0.72 0.00 0.00 41.12 39.26 1rd3 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1rd3 s ILE 103 N 2.96 0.12 -0.09 5.18 2.07 -1.26 -3.66 121.20 126.52 1rd3 s ILE 103 Ca 0.48 -0.95 -0.24 0.00 -1.41 0.00 0.00 60.65 58.53 1rd3 s ILE 103 Cb 0.05 -0.72 0.05 0.00 0.13 0.00 0.00 42.46 41.98 1rd3 s ILE 103 CO 0.02 -0.52 0.55 0.00 -1.91 0.00 0.00 174.94 173.08 1rd3 s ALA 104 N -2.17 -1.42 0.04 1.50 0.00 -0.31 -2.85 121.76 116.55 1rd3 s ALA 104 Ca -0.09 1.14 0.05 0.00 0.00 0.00 0.00 51.96 53.07 1rd3 s ALA 104 Cb -0.04 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1rd3 s ALA 104 CO -0.02 -0.31 -0.10 -0.51 0.00 0.00 0.00 175.76 174.81 1rd3 s LEU 105 N -0.81 3.01 -0.07 0.00 1.43 0.74 -1.47 118.68 121.50 1rd3 s LEU 105 Ca -0.09 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1rd3 s LEU 105 Cb -0.03 -1.76 0.03 0.00 0.03 0.00 0.00 46.19 44.46 1rd3 s LEU 105 CO 0.06 0.24 -0.00 -0.04 0.23 0.00 0.00 176.35 176.84 1rd3 s MET 106 N -1.67 0.66 -0.19 1.70 -1.94 -0.29 -0.29 119.30 117.27 1rd3 s MET 106 Ca 0.18 0.08 -0.19 0.00 -1.71 0.00 0.00 55.69 54.05 1rd3 s MET 106 Cb -0.11 -0.99 -0.03 0.00 2.01 0.00 0.00 34.83 35.71 1rd3 s MET 106 CO 0.09 -0.29 0.54 0.21 -0.01 0.00 0.00 175.02 175.56 1rd3 s LYS 107 N 1.91 4.21 0.36 2.03 2.20 -0.52 -1.37 119.74 128.56 1rd3 s LYS 107 Ca 0.04 0.46 -0.26 0.00 -0.36 0.00 0.00 55.97 55.85 1rd3 s LYS 107 Cb -0.12 -3.55 -0.09 0.00 -1.51 0.00 0.00 37.83 32.55 1rd3 s LYS 107 CO -0.05 -0.14 1.10 -0.51 -0.36 0.00 0.00 175.35 175.39 1rd3 s LEU 108 N 1.60 4.29 0.12 5.43 1.43 0.56 0.42 118.68 132.53 1rd3 s LEU 108 Ca 0.25 2.21 -0.24 0.00 -1.03 0.00 0.00 54.13 55.32 1rd3 s LEU 108 Cb -0.15 -3.95 -0.05 0.00 0.03 0.00 0.00 46.19 42.06 1rd3 s LEU 108 CO 0.10 -0.43 1.67 0.11 0.23 0.00 0.00 176.35 178.02 1rd3 h LYS 109 N 2.97 -0.24 -5.96 1.70 1.57 -1.48 -3.41 116.57 111.71 1rd3 h LYS 109 Ca -0.48 0.02 -0.63 0.00 -1.87 0.00 0.00 60.65 57.69 1rd3 h LYS 109 Cb 1.22 0.06 -0.30 0.00 0.08 0.00 0.00 32.23 33.28 1rd3 h LYS 109 CO 0.64 -0.16 -0.86 0.15 -0.57 0.00 0.00 179.45 178.64 1rd3 s LYS 110 N -6.13 1.94 0.79 3.15 1.02 -1.26 -4.95 119.74 114.30 1rd3 s LYS 110 Ca -0.15 -0.78 -0.15 0.00 0.02 0.00 0.00 55.97 54.92 1rd3 s LYS 110 Cb 0.09 -1.78 0.01 0.00 -0.52 0.00 0.00 37.83 35.63 1rd3 s LYS 110 CO 0.67 0.41 0.71 -2.30 -0.92 0.00 0.00 175.35 173.91 1rd3 n PRO 111 N 2.74 0.19 -4.21 -1.68 -0.02 -1.26 -4.92 135.00 125.83 1rd3 n PRO 111 Ca -0.16 0.12 -0.32 0.00 -2.02 0.00 0.00 63.50 61.11 1rd3 n PRO 111 Cb 0.52 -2.02 -0.08 0.00 -0.02 0.00 0.00 33.50 31.91 1rd3 n PRO 111 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1rd3 s VAL 112 N -2.04 4.25 0.05 -1.45 0.11 -0.20 -5.00 120.40 116.13 1rd3 s VAL 112 Ca 0.66 -0.65 -0.24 0.00 -2.93 0.00 0.00 61.98 58.82 1rd3 s VAL 112 Cb -0.31 -2.94 -0.06 0.00 -1.53 0.00 0.00 36.38 31.55 1rd3 s VAL 112 CO 0.57 0.31 0.75 0.00 -3.33 0.00 0.00 175.10 173.40 1rd3 s ALA 113 N -1.17 3.39 0.71 1.54 0.00 -1.26 -4.77 121.76 120.21 1rd3 s ALA 113 Ca 0.22 0.26 -0.11 0.00 0.00 0.00 0.00 51.96 52.33 1rd3 s ALA 113 Cb -0.12 -2.96 0.02 0.00 0.00 0.00 0.00 23.12 20.06 1rd3 s ALA 113 CO 0.13 0.11 1.08 -0.06 0.00 0.00 0.00 175.76 177.02 1rd3 s PHE 114 N -0.21 3.23 0.00 0.00 0.08 -1.26 -4.84 117.98 114.98 1rd3 s PHE 114 Ca 0.37 1.17 0.00 0.00 0.12 0.00 0.00 56.93 58.60 1rd3 s PHE 114 Cb -0.21 -2.99 0.00 0.00 -0.57 0.00 0.00 43.02 39.26 1rd3 s PHE 114 CO 0.23 -1.24 0.00 -1.13 -0.10 0.00 0.00 175.22 172.98 1rd3 n SER 115 N -3.08 0.00 0.26 1.36 3.41 0.36 -4.89 113.62 111.04 1rd3 n SER 115 Ca 0.07 -0.66 0.13 0.00 -0.26 0.00 0.00 58.87 58.15 1rd3 n SER 115 Cb 0.56 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 65.20 1rd3 n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1rd3 h ASP 116 N 0.00 0.00 -0.01 4.04 3.32 -1.99 -2.95 116.42 118.83 1rd3 h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rd3 h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1rd3 h ASP 116 CO 0.00 0.13 -0.24 -1.22 -1.72 0.00 0.00 179.24 176.18 1rd3 n TYR 117 N -3.49 0.00 -3.66 4.55 4.01 -1.26 -4.62 117.16 112.70 1rd3 n TYR 117 Ca -0.01 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.51 1rd3 n TYR 117 Cb 0.28 0.00 -0.18 0.00 -0.31 0.00 0.00 39.34 39.13 1rd3 n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1rd3 s ILE 118 N -1.77 -0.07 -0.25 -0.72 1.01 -1.11 -3.96 121.20 114.33 1rd3 s ILE 118 Ca 0.15 0.20 -0.20 0.00 0.00 0.00 0.00 60.65 60.81 1rd3 s ILE 118 Cb 0.13 -0.32 0.07 0.00 0.01 0.00 0.00 42.46 42.35 1rd3 s ILE 118 CO 0.35 0.02 0.65 -2.28 0.00 0.00 0.00 174.94 173.68 1rd3 s HIS 119 N 2.15 -0.80 0.87 3.97 2.46 -0.26 -0.48 115.29 123.19 1rd3 s HIS 119 Ca 0.04 1.82 -0.11 0.00 0.47 0.00 0.00 55.06 57.28 1rd3 s HIS 119 Cb -0.13 0.35 0.11 0.00 -0.13 0.00 0.00 32.58 32.78 1rd3 s HIS 119 CO -0.05 -0.39 1.09 -1.25 -2.47 0.00 0.00 174.74 171.67 1rd3 s PRO 120 N 0.75 1.46 0.15 2.88 0.04 -1.26 -2.57 135.00 136.45 1rd3 s PRO 120 Ca -0.03 0.83 0.06 0.00 0.04 0.00 0.00 61.00 61.90 1rd3 s PRO 120 Cb -0.05 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1rd3 s PRO 120 CO -0.05 -2.10 0.01 0.54 0.04 0.00 0.00 177.00 175.43 1rd3 s VAL 121 N -2.96 3.85 0.40 -0.36 0.11 -0.48 -4.86 120.40 116.11 1rd3 s VAL 121 Ca 0.63 -1.28 -0.19 0.00 -2.93 0.00 0.00 61.98 58.21 1rd3 s VAL 121 Cb -0.17 -2.91 -0.10 0.00 -1.53 0.00 0.00 36.38 31.66 1rd3 s VAL 121 CO 0.56 -0.04 0.89 0.00 -3.33 0.00 0.00 175.10 173.18 1rd3 s LEU 123 N -3.17 4.39 0.66 0.00 1.43 -1.26 -0.79 118.68 119.93 1rd3 s LEU 123 Ca 0.59 0.67 -0.14 0.00 -1.03 0.00 0.00 54.13 54.22 1rd3 s LEU 123 Cb -0.09 -2.65 -0.00 0.00 0.03 0.00 0.00 46.19 43.47 1rd3 s LEU 123 CO 0.15 0.27 1.09 -2.16 0.23 0.00 0.00 176.35 175.93 1rd3 s PRO 124 N -1.59 2.89 0.38 1.29 0.04 -1.26 -4.90 135.00 131.85 1rd3 s PRO 124 Ca 0.27 1.27 0.08 0.00 0.04 0.00 0.00 61.00 62.66 1rd3 s PRO 124 Cb -0.14 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1rd3 s PRO 124 CO 0.15 -1.16 0.16 0.16 0.04 0.00 0.00 177.00 176.34 1rd3 s ASP 125 N -2.85 4.53 0.22 6.66 -4.77 -1.26 -4.83 116.67 114.38 1rd3 s ASP 125 Ca 0.64 -0.93 -0.13 0.00 -3.30 0.00 0.00 52.55 48.83 1rd3 s ASP 125 Cb -0.18 -0.59 0.26 0.00 -1.09 0.00 0.00 42.92 41.32 1rd3 s ASP 125 CO 0.43 -0.42 1.62 -0.09 0.70 0.00 0.00 175.17 177.41 1rd3 h ARG 126 N 1.49 -0.01 -0.94 2.11 9.65 -1.97 -1.69 114.38 123.02 1rd3 h ARG 126 Ca -0.43 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.46 1rd3 h ARG 126 Cb 1.25 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.79 1rd3 h ARG 126 CO 0.66 -0.01 0.62 1.49 2.80 0.00 0.00 179.97 185.54 1rd3 h GLU 127 N -0.01 1.24 -1.08 0.20 4.81 -2.04 -1.19 114.58 116.52 1rd3 h GLU 127 Ca 0.32 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1rd3 h GLU 127 Cb 0.50 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1rd3 h GLU 127 CO -0.70 0.82 0.00 2.41 -0.73 0.00 0.00 179.01 180.81 1rd3 n THR 128 N -4.39 0.42 0.00 0.32 -1.04 -0.64 -1.10 114.28 107.85 1rd3 n THR 128 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1rd3 n THR 128 Cb 0.02 -0.65 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 1rd3 n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1rd3 n ALA 129 N 0.47 0.00 0.03 2.41 0.00 -0.45 0.27 120.51 123.24 1rd3 n ALA 129 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1rd3 n ALA 129 Cb 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.59 1rd3 n ALA 129 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1rd3 h SER 129 N 0.00 0.54 0.21 0.00 0.87 -1.34 -3.40 113.55 110.42 1rd3 h SER 129 Ca 0.00 -0.86 -0.34 0.00 -1.23 0.00 0.00 61.79 59.36 1rd3 h SER 129 Cb 0.00 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 61.74 1rd3 h SER 129 CO 0.00 1.34 -2.08 0.18 -0.53 0.00 0.00 176.83 175.74 1rd3 n LEU 129 N -4.14 1.13 -3.67 2.23 4.77 0.14 -4.68 117.00 112.78 1rd3 n LEU 129 Ca -0.12 0.17 -0.42 0.00 -0.03 0.00 0.00 56.01 55.61 1rd3 n LEU 129 Cb 0.77 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.78 1rd3 n LEU 129 CO 0.49 0.57 2.43 -0.11 -1.33 0.00 0.00 177.39 179.44 1rd3 n LEU 130 N -3.04 5.60 -4.17 2.23 -0.00 -1.25 -4.84 117.00 111.53 1rd3 n LEU 130 Ca -0.28 -3.56 -0.18 0.00 -0.00 0.00 0.00 56.01 51.98 1rd3 n LEU 130 Cb 1.08 -1.40 -0.12 0.00 -0.00 0.00 0.00 43.42 42.98 1rd3 n LEU 130 CO 0.42 0.44 -0.46 -1.10 -0.00 0.00 0.00 177.39 176.69 1rd3 s GLN 131 N 4.01 0.82 0.34 1.96 -0.21 -1.26 -4.90 119.66 120.42 1rd3 s GLN 131 Ca 0.52 -0.94 -0.29 0.00 0.02 0.00 0.00 55.36 54.67 1rd3 s GLN 131 Cb 0.14 -0.83 -0.12 0.00 1.00 0.00 0.00 33.01 33.20 1rd3 s GLN 131 CO 0.01 0.19 1.45 0.00 -2.12 0.00 0.00 175.29 174.81 1rd3 n ALA 132 N 1.33 2.00 0.00 6.09 0.00 -1.26 -2.12 120.51 126.54 1rd3 n ALA 132 Ca -0.21 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1rd3 n ALA 132 Cb 0.54 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1rd3 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rd3 n GLY 133 N 1.07 3.03 3.75 0.00 0.00 -0.20 -4.93 105.19 107.90 1rd3 n GLY 133 Ca 0.05 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 1rd3 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rd3 s TYR 134 N -0.80 2.23 -0.01 1.61 1.51 -0.90 -4.49 117.35 116.50 1rd3 s TYR 134 Ca 0.00 1.37 0.00 0.00 -1.01 0.00 0.00 57.07 57.43 1rd3 s TYR 134 Cb 0.00 -3.83 -0.04 0.00 -0.11 0.00 0.00 41.96 37.99 1rd3 s TYR 134 CO 0.00 -3.00 0.04 0.15 -1.11 0.00 0.00 175.55 171.63 1rd3 s LYS 135 N -2.94 2.94 0.46 -0.62 1.02 -1.26 -0.09 119.74 119.25 1rd3 s LYS 135 Ca 0.73 -0.53 0.04 0.00 0.02 0.00 0.00 55.97 56.23 1rd3 s LYS 135 Cb -0.41 -2.78 -0.04 0.00 -0.52 0.00 0.00 37.83 34.08 1rd3 s LYS 135 CO 0.48 0.64 0.01 0.20 -0.92 0.00 0.00 175.35 175.77 1rd3 s GLY 136 N -1.57 2.78 -0.06 -3.33 0.00 0.37 -4.84 107.32 100.66 1rd3 s GLY 136 Ca 0.20 -1.27 0.05 0.00 0.00 0.00 0.00 44.72 43.70 1rd3 s GLY 136 CO 0.11 -2.14 -0.21 -1.60 0.00 0.00 0.00 173.10 169.26 1rd3 s ARG 137 N -3.80 2.29 0.01 2.90 3.52 0.20 -0.39 118.95 123.67 1rd3 s ARG 137 Ca 0.19 -0.74 0.06 0.00 -0.13 0.00 0.00 55.73 55.11 1rd3 s ARG 137 Cb 0.05 -1.89 -0.03 0.00 -1.56 0.00 0.00 34.95 31.52 1rd3 s ARG 137 CO 0.10 0.25 -0.18 0.08 -0.81 0.00 0.00 175.30 174.74 1rd3 s VAL 138 N 0.10 2.77 0.05 7.11 1.01 0.71 -1.17 120.40 130.98 1rd3 s VAL 138 Ca -0.08 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.86 1rd3 s VAL 138 Cb -0.14 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1rd3 s VAL 138 CO 0.04 0.44 -0.06 0.42 0.00 0.00 0.00 175.10 175.94 1rd3 s THR 139 N -0.83 0.43 0.00 3.92 -4.23 -1.24 -1.31 115.64 112.37 1rd3 s THR 139 Ca 0.13 -1.30 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 1rd3 s THR 139 Cb -0.10 -0.85 0.00 0.00 1.34 0.00 0.00 72.50 72.89 1rd3 s THR 139 CO 0.03 -0.58 0.00 0.61 -0.54 0.00 0.00 174.62 174.14 1rd3 n GLY 140 N 1.04 -0.93 0.62 3.99 0.00 -0.77 -4.53 105.19 104.61 1rd3 n GLY 140 Ca -0.20 -1.21 0.06 0.00 0.00 0.00 0.00 46.02 44.66 1rd3 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1rd3 n TRP 141 N -0.66 0.38 -0.59 1.61 7.02 -1.26 -1.76 117.44 122.18 1rd3 n TRP 141 Ca 0.00 -0.40 -0.30 0.00 -1.02 0.00 0.00 57.50 55.78 1rd3 n TRP 141 Cb 0.00 -0.02 0.21 0.00 -2.42 0.00 0.00 31.31 29.08 1rd3 n TRP 141 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1rd3 n GLY 142 N 0.57 -2.05 3.56 6.99 0.00 -1.24 -4.36 105.19 108.66 1rd3 n GLY 142 Ca 0.11 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.78 1rd3 n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rd3 n ASN 143 N -3.41 0.34 0.03 1.61 4.13 -1.26 -2.20 115.26 114.49 1rd3 n ASN 143 Ca 0.03 0.88 0.13 0.00 1.68 0.00 0.00 54.58 57.30 1rd3 n ASN 143 Cb 0.57 -1.30 0.55 0.00 -1.54 0.00 0.00 39.78 38.06 1rd3 n ASN 143 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1rd3 n LEU 144 N 0.17 0.24 -3.82 3.41 4.77 0.23 -2.17 117.00 119.84 1rd3 n LEU 144 Ca 0.11 0.52 -0.08 0.00 -0.03 0.00 0.00 56.01 56.54 1rd3 n LEU 144 Cb 0.44 -0.45 0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1rd3 n LEU 144 CO 0.53 -0.07 0.54 -1.59 -1.33 0.00 0.00 177.39 175.47 1rd3 s LYS 145 N -3.03 2.07 0.02 3.23 -2.85 -1.26 -4.38 119.74 113.53 1rd3 s LYS 145 Ca 0.13 -1.29 -0.14 0.00 -1.00 0.00 0.00 55.97 53.66 1rd3 s LYS 145 Cb 0.17 0.60 -0.07 0.00 -2.06 0.00 0.00 37.83 36.47 1rd3 s LYS 145 CO 0.54 -0.96 0.36 -1.91 0.10 0.00 0.00 175.35 173.48 1rd3 n GLU 146 N -0.52 0.00 -0.21 1.78 0.00 -1.26 -4.81 120.64 115.62 1rd3 n GLU 146 Ca -0.07 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.12 1rd3 n GLU 146 Cb 0.60 -0.53 0.04 0.00 0.00 0.00 0.00 31.44 31.54 1rd3 n GLU 146 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1rd3 n THR 147 N 0.45 0.67 0.58 6.31 -2.24 0.24 -4.77 114.28 115.52 1rd3 n THR 147 Ca 0.07 -0.77 0.12 0.00 -2.27 0.00 0.00 64.05 61.20 1rd3 n THR 147 Cb 0.04 0.40 0.19 0.00 -2.10 0.00 0.00 70.33 68.87 1rd3 n THR 147 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 1rd3 n TRP 147 N -0.47 0.59 -0.48 4.78 4.27 -1.21 -4.84 117.44 120.08 1rd3 n TRP 147 Ca 0.04 0.17 0.00 0.00 -3.89 0.00 0.00 57.50 53.83 1rd3 n TRP 147 Cb 0.58 -0.68 0.00 0.00 -1.36 0.00 0.00 31.31 29.84 1rd3 n TRP 147 CO 0.00 0.00 0.00 0.25 -2.29 0.00 0.00 177.69 175.65 1rd3 n THR 147 N -2.12 0.00 -3.15 -1.67 -2.24 -1.26 -5.01 114.28 98.83 1rd3 n THR 147 Ca 0.03 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.55 1rd3 n THR 147 Cb 0.44 -0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 67.90 1rd3 n THR 147 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rd3 s ALA 147 N -3.52 3.58 0.01 6.98 0.00 -1.26 -4.97 121.76 122.58 1rd3 s ALA 147 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1rd3 s ALA 147 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 23.12 20.80 1rd3 s ALA 147 CO 0.00 -0.02 0.00 -1.71 0.00 0.00 0.00 175.76 174.03 1rd3 n ASN 147 N -1.61 -1.48 -0.05 0.00 5.15 -1.26 -4.97 115.26 111.05 1rd3 n ASN 147 Ca -0.02 0.02 -0.01 0.00 -0.60 0.00 0.00 54.58 53.97 1rd3 n ASN 147 Cb 0.55 0.90 -0.12 0.00 -0.53 0.00 0.00 39.78 40.58 1rd3 n ASN 147 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1rd3 n VAL 147 N -0.82 0.59 -0.22 3.44 0.31 -1.26 -4.72 118.33 115.64 1rd3 n VAL 147 Ca 0.00 -0.52 -0.08 0.00 -0.01 0.00 0.00 64.34 63.73 1rd3 n VAL 147 Cb 0.00 -0.29 -0.03 0.00 -0.91 0.00 0.00 33.84 32.62 1rd3 n VAL 147 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1rd3 h GLY 148 N 2.97 -0.39 -0.97 2.92 0.00 -2.03 -3.44 103.07 102.13 1rd3 h GLY 148 Ca -0.23 0.55 -0.46 0.00 0.00 0.00 0.00 47.33 47.19 1rd3 h GLY 148 CO 0.01 -0.16 0.19 -1.59 0.00 0.00 0.00 176.54 174.99 1rd3 s LYS 149 N -5.86 0.53 -0.05 4.80 0.00 -1.26 -4.22 119.74 113.69 1rd3 s LYS 149 Ca -0.14 0.64 0.00 0.00 0.00 0.00 0.00 55.97 56.47 1rd3 s LYS 149 Cb 0.14 -1.74 0.00 0.00 0.00 0.00 0.00 37.83 36.23 1rd3 s LYS 149 CO 0.67 -2.69 0.00 0.41 0.00 0.00 0.00 175.35 173.74 1rd3 n GLY 150 N -0.92 0.33 3.66 0.59 0.00 -1.26 -4.92 105.19 102.68 1rd3 n GLY 150 Ca 0.06 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1rd3 n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rd3 s GLN 151 N -0.93 4.24 0.39 1.61 -0.21 -1.26 0.78 119.66 124.28 1rd3 s GLN 151 Ca 0.00 0.79 -0.27 0.00 0.02 0.00 0.00 55.36 55.90 1rd3 s GLN 151 Cb 0.00 -3.58 -0.09 0.00 1.00 0.00 0.00 33.01 30.33 1rd3 s GLN 151 CO 0.00 -0.30 1.35 -1.25 -2.12 0.00 0.00 175.29 172.97 1rd3 s PRO 152 N 2.08 4.05 0.03 2.91 0.04 -1.26 -4.95 135.00 137.91 1rd3 s PRO 152 Ca 0.33 2.27 0.01 0.00 0.04 0.00 0.00 61.00 63.64 1rd3 s PRO 152 Cb -0.16 -2.86 -0.26 0.00 0.04 0.00 0.00 34.50 31.27 1rd3 s PRO 152 CO 0.11 -0.46 0.96 0.66 0.04 0.00 0.00 177.00 178.31 1rd3 h SER 153 N 2.86 0.25 -4.13 6.66 4.64 -1.96 -3.43 113.55 118.45 1rd3 h SER 153 Ca -0.50 -0.34 -0.42 0.00 -0.47 0.00 0.00 61.79 60.07 1rd3 h SER 153 Cb 1.24 -0.08 -0.19 0.00 -0.31 0.00 0.00 62.40 63.06 1rd3 h SER 153 CO 0.63 1.28 -0.76 0.68 -0.87 0.00 0.00 176.83 177.79 1rd3 s VAL 154 N -2.64 1.30 -0.02 0.95 -7.23 -1.26 0.50 120.40 112.00 1rd3 s VAL 154 Ca -0.06 -1.65 -0.40 0.00 -1.81 0.00 0.00 61.98 58.07 1rd3 s VAL 154 Cb 0.08 -1.46 -0.19 0.00 0.56 0.00 0.00 36.38 35.37 1rd3 s VAL 154 CO 0.85 -0.38 1.22 -0.11 -0.31 0.00 0.00 175.10 176.37 1rd3 n LEU 155 N 0.67 0.69 -4.91 1.32 7.94 -0.43 -4.78 117.00 117.49 1rd3 n LEU 155 Ca -0.16 1.15 -0.31 0.00 -1.11 0.00 0.00 56.01 55.57 1rd3 n LEU 155 Cb 0.56 -1.01 -0.04 0.00 0.53 0.00 0.00 43.42 43.46 1rd3 n LEU 155 CO 0.26 -1.50 -0.08 -1.10 -1.11 0.00 0.00 177.39 173.85 1rd3 s GLN 156 N 0.52 3.50 0.01 1.96 -1.52 -0.72 0.07 119.66 123.48 1rd3 s GLN 156 Ca 0.90 -0.33 -0.01 0.00 -1.95 0.00 0.00 55.36 53.98 1rd3 s GLN 156 Cb -1.18 -2.97 -0.01 0.00 -0.22 0.00 0.00 33.01 28.63 1rd3 s GLN 156 CO 0.56 0.55 -0.00 0.54 -0.25 0.00 0.00 175.29 176.69 1rd3 s VAL 157 N -1.58 0.06 -0.18 1.09 0.11 0.52 -1.84 120.40 118.57 1rd3 s VAL 157 Ca 0.37 -0.50 -0.21 0.00 -2.93 0.00 0.00 61.98 58.71 1rd3 s VAL 157 Cb -0.13 -0.17 0.05 0.00 -1.53 0.00 0.00 36.38 34.61 1rd3 s VAL 157 CO 0.27 -0.28 0.56 0.54 -3.33 0.00 0.00 175.10 172.87 1rd3 s VAL 158 N -0.82 0.00 -0.22 2.04 0.11 -0.43 -1.25 120.40 119.83 1rd3 s VAL 158 Ca -0.09 -0.03 -0.09 0.00 -2.93 0.00 0.00 61.98 58.83 1rd3 s VAL 158 Cb -0.06 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 1rd3 s VAL 158 CO -0.00 -0.02 0.12 0.20 -3.33 0.00 0.00 175.10 172.06 1rd3 s ASN 159 N 0.02 5.82 -0.02 3.54 0.01 -1.26 -0.21 114.94 122.84 1rd3 s ASN 159 Ca -0.02 0.06 0.07 0.00 -0.71 0.00 0.00 52.86 52.25 1rd3 s ASN 159 Cb -0.04 -2.03 -0.02 0.00 0.41 0.00 0.00 41.25 39.57 1rd3 s ASN 159 CO 0.02 0.09 -0.23 -0.76 -1.51 0.00 0.00 177.10 174.71 1rd3 s LEU 160 N 0.91 2.04 0.32 0.60 1.43 0.47 -4.91 118.68 119.54 1rd3 s LEU 160 Ca 0.06 -0.41 -0.23 0.00 -1.03 0.00 0.00 54.13 52.52 1rd3 s LEU 160 Cb -0.13 -1.17 -0.10 0.00 0.03 0.00 0.00 46.19 44.82 1rd3 s LEU 160 CO 0.03 0.27 0.88 -2.16 0.23 0.00 0.00 176.35 175.60 1rd3 s PRO 161 N -0.48 4.40 0.16 1.29 0.04 -1.26 -0.48 135.00 138.67 1rd3 s PRO 161 Ca 0.07 1.14 -0.30 0.00 0.04 0.00 0.00 61.00 61.96 1rd3 s PRO 161 Cb -0.09 -2.67 -0.08 0.00 0.04 0.00 0.00 34.50 31.70 1rd3 s PRO 161 CO -0.00 0.24 1.22 0.42 0.04 0.00 0.00 177.00 178.91 1rd3 s ILE 162 N -1.73 3.62 0.15 0.56 1.01 0.87 -0.96 121.20 124.72 1rd3 s ILE 162 Ca 0.51 1.31 -0.07 0.00 0.00 0.00 0.00 60.65 62.40 1rd3 s ILE 162 Cb -0.16 -3.83 -0.06 0.00 0.01 0.00 0.00 42.46 38.42 1rd3 s ILE 162 CO 0.21 0.18 0.42 -0.69 0.00 0.00 0.00 174.94 175.05 1rd3 s VAL 163 N 0.25 5.10 0.12 2.92 1.01 -0.52 -1.03 120.40 128.25 1rd3 s VAL 163 Ca 0.55 0.21 -0.31 0.00 0.00 0.00 0.00 61.98 62.43 1rd3 s VAL 163 Cb -0.32 -3.63 -0.08 0.00 0.00 0.00 0.00 36.38 32.35 1rd3 s VAL 163 CO 0.35 0.07 1.42 -1.61 0.00 0.00 0.00 175.10 175.33 1rd3 s GLU 164 N -2.53 4.30 0.27 2.72 2.02 -1.26 -4.53 118.70 119.69 1rd3 s GLU 164 Ca 0.41 2.12 -0.09 0.00 0.02 0.00 0.00 54.97 57.43 1rd3 s GLU 164 Cb -0.12 -3.25 0.42 0.00 0.10 0.00 0.00 34.13 31.28 1rd3 s GLU 164 CO 0.22 -0.47 1.56 -0.09 0.02 0.00 0.00 175.26 176.51 1rd3 h ARG 165 N 6.85 -0.00 -0.35 1.61 2.43 -1.96 0.11 114.38 123.06 1rd3 h ARG 165 Ca -0.42 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.62 1rd3 h ARG 165 Cb 1.21 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1rd3 h ARG 165 CO 0.87 -0.00 -0.32 -1.35 -1.51 0.00 0.00 179.97 177.67 1rd3 h PRO 166 N -0.00 0.78 -0.93 0.20 0.11 -1.99 -1.86 132.00 128.30 1rd3 h PRO 166 Ca 0.45 -0.36 0.08 0.00 0.11 0.00 0.00 66.00 66.28 1rd3 h PRO 166 Cb 0.70 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.73 1rd3 h PRO 166 CO -1.00 0.99 0.60 0.28 -0.21 0.00 0.00 178.00 178.66 1rd3 h VAL 167 N 0.66 1.03 0.00 3.15 2.07 -1.19 -2.13 116.25 119.84 1rd3 h VAL 167 Ca 0.07 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 1rd3 h VAL 167 Cb 0.86 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1rd3 h VAL 167 CO 0.07 0.19 -1.16 0.00 0.02 0.00 0.00 177.57 176.69 1rd3 h LYS 169 N 0.00 0.08 -0.00 0.00 1.57 -0.79 0.17 116.57 117.60 1rd3 h LYS 169 Ca -0.06 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1rd3 h LYS 169 Cb 1.21 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1rd3 h LYS 169 CO 0.02 0.07 -0.00 -0.25 -0.57 0.00 0.00 179.45 178.72 1rd3 n ASP 170 N -4.51 0.39 -0.55 0.86 8.00 -0.85 -3.21 116.55 116.70 1rd3 n ASP 170 Ca -0.02 -1.09 0.10 0.00 0.71 0.00 0.00 54.79 54.49 1rd3 n ASP 170 Cb 0.10 -0.01 0.02 0.00 -0.02 0.00 0.00 41.12 41.21 1rd3 n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1rd3 n SER 171 N -0.71 2.09 -3.89 -2.24 3.41 0.60 -4.98 113.62 107.90 1rd3 n SER 171 Ca 0.22 -1.54 -0.10 0.00 -0.26 0.00 0.00 58.87 57.19 1rd3 n SER 171 Cb 0.18 0.34 -0.09 0.00 -0.26 0.00 0.00 64.21 64.38 1rd3 n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1rd3 s THR 172 N -2.05 0.13 -1.54 6.66 -1.32 -1.17 -4.68 115.64 111.67 1rd3 s THR 172 Ca 0.18 -1.03 0.18 0.00 -1.21 0.00 0.00 61.69 59.80 1rd3 s THR 172 Cb 0.16 -0.97 0.61 0.00 -1.51 0.00 0.00 72.50 70.80 1rd3 s THR 172 CO 0.42 -0.57 1.51 -2.11 -2.21 0.00 0.00 174.62 171.66 1rd3 n ARG 173 N 0.63 3.03 -3.59 7.08 1.85 -1.26 -4.87 116.66 119.53 1rd3 n ARG 173 Ca -0.18 -2.45 -0.36 0.00 -1.00 0.00 0.00 57.85 53.86 1rd3 n ARG 173 Cb 0.59 -1.69 -0.07 0.00 -1.05 0.00 0.00 32.46 30.24 1rd3 n ARG 173 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1rd3 s ILE 174 N -1.53 5.33 -0.52 8.89 1.01 -1.26 -5.02 121.20 128.09 1rd3 s ILE 174 Ca 0.44 0.47 -0.26 0.00 0.00 0.00 0.00 60.65 61.30 1rd3 s ILE 174 Cb 0.26 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.09 1rd3 s ILE 174 CO 0.25 0.42 2.18 -0.60 0.00 0.00 0.00 174.94 177.18 1rd3 s ARG 175 N 0.32 2.37 -0.48 2.79 3.52 -1.26 -4.93 118.95 121.28 1rd3 s ARG 175 Ca 0.15 1.14 -0.26 0.00 -0.13 0.00 0.00 55.73 56.63 1rd3 s ARG 175 Cb -0.13 -4.49 0.03 0.00 -1.56 0.00 0.00 34.95 28.80 1rd3 s ARG 175 CO 0.03 -2.98 0.95 0.42 -0.81 0.00 0.00 175.30 172.91 1rd3 s ILE 176 N 10.72 4.42 0.94 4.11 1.01 -1.26 -4.83 121.20 136.31 1rd3 s ILE 176 Ca 0.86 0.70 -0.15 0.00 0.00 0.00 0.00 60.65 62.06 1rd3 s ILE 176 Cb -0.16 -4.48 0.17 0.00 0.01 0.00 0.00 42.46 38.00 1rd3 s ILE 176 CO 0.25 -0.92 1.23 0.42 0.00 0.00 0.00 174.94 175.92 1rd3 s THR 177 N 3.89 1.95 -0.75 2.92 -4.23 -1.26 -4.95 115.64 113.21 1rd3 s THR 177 Ca 0.37 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 61.12 1rd3 s THR 177 Cb -0.10 -2.90 0.24 0.00 1.34 0.00 0.00 72.50 71.08 1rd3 s THR 177 CO 0.25 0.00 1.73 0.47 -0.54 0.00 0.00 174.62 176.53 1rd3 n ASP 178 N -3.77 0.47 -0.98 3.99 8.00 -1.26 -2.92 116.55 120.08 1rd3 n ASP 178 Ca 0.12 0.58 0.02 0.00 0.71 0.00 0.00 54.79 56.22 1rd3 n ASP 178 Cb 0.60 -0.69 0.14 0.00 -0.02 0.00 0.00 41.12 41.15 1rd3 n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1rd3 n ASN 179 N -1.97 2.65 -3.58 -2.24 3.02 -1.26 -4.84 115.26 107.04 1rd3 n ASN 179 Ca 0.04 -2.32 -0.11 0.00 -0.03 0.00 0.00 54.58 52.16 1rd3 n ASN 179 Cb 0.30 -0.56 -0.04 0.00 -0.61 0.00 0.00 39.78 38.88 1rd3 n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rd3 s MET 180 N -1.62 1.11 0.09 3.52 0.23 -1.15 -1.47 119.30 120.00 1rd3 s MET 180 Ca 0.19 -0.59 -0.06 0.00 -1.03 0.00 0.00 55.69 54.21 1rd3 s MET 180 Cb 0.15 0.49 -0.02 0.00 -1.53 0.00 0.00 34.83 33.92 1rd3 s MET 180 CO 0.06 -0.44 0.12 -0.59 -2.03 0.00 0.00 175.02 172.13 1rd3 s PHE 181 N -3.59 0.36 0.26 3.16 -0.12 -0.31 -4.77 117.98 112.98 1rd3 s PHE 181 Ca 0.01 -0.82 0.07 0.00 -0.05 0.00 0.00 56.93 56.15 1rd3 s PHE 181 Cb 0.01 -0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.16 1rd3 s PHE 181 CO -0.11 -0.51 0.19 0.00 -0.05 0.00 0.00 175.22 174.75 1rd3 s ALA 183 N -2.17 -1.30 0.00 0.00 0.00 -0.80 -1.43 121.76 116.05 1rd3 s ALA 183 Ca 0.34 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1rd3 s ALA 183 Cb -0.08 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.67 1rd3 s ALA 183 CO 0.25 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1rd3 n GLY 184 N 1.85 4.14 3.82 0.00 0.00 -0.14 -1.32 105.19 113.54 1rd3 n GLY 184 Ca -0.17 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 1rd3 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rd3 s TYR 184 N -2.00 3.47 0.29 1.61 2.02 -1.26 -4.59 117.35 116.89 1rd3 s TYR 184 Ca 0.00 1.51 -0.23 0.00 -0.37 0.00 0.00 57.07 57.98 1rd3 s TYR 184 Cb 0.00 -2.74 -0.09 0.00 -0.40 0.00 0.00 41.96 38.72 1rd3 s TYR 184 CO 0.00 0.09 0.86 0.21 -1.57 0.00 0.00 175.55 175.13 1rd3 s LYS 185 N -2.68 4.41 0.39 -0.62 2.20 -1.26 -4.91 119.74 117.28 1rd3 s LYS 185 Ca 0.54 1.12 0.14 0.00 -0.36 0.00 0.00 55.97 57.41 1rd3 s LYS 185 Cb -0.13 -2.77 0.78 0.00 -1.51 0.00 0.00 37.83 34.20 1rd3 s LYS 185 CO 0.18 0.30 1.34 -1.00 -0.36 0.00 0.00 175.35 175.81 1rd3 h PRO 186 N 3.14 0.00 0.00 4.03 0.13 -1.96 -2.95 132.00 134.39 1rd3 h PRO 186 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1rd3 h PRO 186 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1rd3 h PRO 186 CO 0.65 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.17 1rd3 n ASP 186 N -2.18 0.00 -0.87 1.44 10.43 -1.26 -4.75 116.55 119.36 1rd3 n ASP 186 Ca -0.01 0.21 -0.11 0.00 2.57 0.00 0.00 54.79 57.45 1rd3 n ASP 186 Cb 0.39 0.00 -0.01 0.00 1.84 0.00 0.00 41.12 43.33 1rd3 n ASP 186 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1rd3 n GLU 186 N -0.21 0.00 0.27 -1.24 1.02 -1.12 -4.84 120.64 114.52 1rd3 n GLU 186 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 1rd3 n GLU 186 Cb 0.00 -0.28 -0.08 0.00 -0.02 0.00 0.00 31.44 31.05 1rd3 n GLU 186 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1rd3 h GLY 186 N 0.56 -0.68 -6.88 0.62 0.00 -1.87 -3.43 103.07 91.38 1rd3 h GLY 186 Ca -0.10 0.25 -0.80 0.00 0.00 0.00 0.00 47.33 46.69 1rd3 h GLY 186 CO 0.12 -0.25 1.01 0.28 0.00 0.00 0.00 176.54 177.71 1rd3 n LYS 186 N -5.32 0.32 -3.56 4.80 5.02 -1.26 -4.95 118.16 113.21 1rd3 n LYS 186 Ca -0.11 0.11 -0.23 0.00 -2.02 0.00 0.00 58.31 56.05 1rd3 n LYS 186 Cb 0.30 -1.71 0.01 0.00 -0.02 0.00 0.00 35.03 33.61 1rd3 n LYS 186 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1rd3 s ARG 187 N 4.43 2.31 0.00 1.97 3.03 -1.26 -4.83 118.95 124.60 1rd3 s ARG 187 Ca 1.09 -1.83 0.00 0.00 2.03 0.00 0.00 55.73 57.02 1rd3 s ARG 187 Cb -1.36 -2.32 0.00 0.00 -1.03 0.00 0.00 34.95 30.25 1rd3 s ARG 187 CO 0.70 -0.64 0.00 0.41 -1.13 0.00 0.00 175.30 174.64 1rd3 n GLY 188 N -1.90 4.76 3.62 3.88 0.00 -1.26 -4.91 105.19 109.39 1rd3 n GLY 188 Ca 0.05 -1.05 -0.05 0.00 0.00 0.00 0.00 46.02 44.97 1rd3 n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rd3 s ASP 189 N 0.00 -0.22 0.06 1.61 2.15 -0.29 -4.63 116.67 115.34 1rd3 s ASP 189 Ca 0.00 -0.15 -0.06 0.00 0.43 0.00 0.00 52.55 52.77 1rd3 s ASP 189 Cb 0.00 0.34 -0.05 0.00 -0.30 0.00 0.00 42.92 42.91 1rd3 s ASP 189 CO 0.00 -0.60 0.31 0.00 -0.17 0.00 0.00 175.17 174.71 1rd3 s ALA 190 N -2.95 3.83 0.41 3.66 0.00 -1.26 -0.89 121.76 124.56 1rd3 s ALA 190 Ca 0.09 -0.57 0.07 0.00 0.00 0.00 0.00 51.96 51.56 1rd3 s ALA 190 Cb -0.00 -2.09 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 1rd3 s ALA 190 CO -0.04 0.66 0.22 0.00 0.00 0.00 0.00 175.76 176.60 1rd3 h GLU 192 N 1.34 0.62 0.00 0.00 4.57 -1.95 0.14 114.58 119.29 1rd3 h GLU 192 Ca -0.42 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1rd3 h GLU 192 Cb 1.26 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1rd3 h GLU 192 CO 0.67 0.41 0.00 0.41 -1.18 0.00 0.00 179.01 179.32 1rd3 n GLY 193 N -1.33 -0.34 0.95 1.92 0.00 -1.26 -1.22 105.19 103.91 1rd3 n GLY 193 Ca 0.18 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.29 1rd3 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rd3 n ASP 194 N -1.22 3.01 -4.60 1.61 8.00 0.47 -3.73 116.55 120.09 1rd3 n ASP 194 Ca 0.02 -1.93 -0.41 0.00 0.71 0.00 0.00 54.79 53.18 1rd3 n ASP 194 Cb 0.02 -0.08 0.01 0.00 -0.02 0.00 0.00 41.12 41.06 1rd3 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1rd3 n SER 195 N 1.28 1.09 0.00 -2.24 7.64 -0.36 -1.73 113.62 119.31 1rd3 n SER 195 Ca 0.15 1.01 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1rd3 n SER 195 Cb 0.56 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1rd3 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rd3 n GLY 196 N 1.23 2.89 3.75 0.23 0.00 0.50 -1.07 105.19 112.72 1rd3 n GLY 196 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1rd3 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rd3 s GLY 197 N -1.61 1.58 0.20 -0.02 0.00 -0.70 -3.11 107.32 103.66 1rd3 s GLY 197 Ca 0.00 -0.40 -0.15 0.00 0.00 0.00 0.00 44.72 44.17 1rd3 s GLY 197 CO 0.00 0.16 0.62 2.56 0.00 0.00 0.00 173.10 176.43 1rd3 s PRO 198 N -5.13 4.03 -0.36 2.90 0.04 -1.26 -1.09 135.00 134.12 1rd3 s PRO 198 Ca 0.64 0.58 -0.03 0.00 0.04 0.00 0.00 61.00 62.23 1rd3 s PRO 198 Cb -0.16 -2.81 0.08 0.00 0.04 0.00 0.00 34.50 31.65 1rd3 s PRO 198 CO 0.55 0.39 0.13 0.12 0.04 0.00 0.00 177.00 178.23 1rd3 s PHE 199 N -1.60 3.43 0.25 0.56 2.19 0.09 -3.74 117.98 119.17 1rd3 s PHE 199 Ca 0.43 -2.07 0.08 0.00 0.33 0.00 0.00 56.93 55.70 1rd3 s PHE 199 Cb -0.14 -2.73 -0.04 0.00 -1.31 0.00 0.00 43.02 38.80 1rd3 s PHE 199 CO 0.20 -0.88 0.06 0.14 1.83 0.00 0.00 175.22 176.57 1rd3 s VAL 200 N 1.22 3.81 -0.01 3.12 -7.23 -0.31 -0.09 120.40 120.90 1rd3 s VAL 200 Ca 0.02 -1.69 -0.03 0.00 -1.81 0.00 0.00 61.98 58.47 1rd3 s VAL 200 Cb -0.21 -3.03 0.00 0.00 0.56 0.00 0.00 36.38 33.69 1rd3 s VAL 200 CO -0.02 -0.34 0.07 -0.04 -0.31 0.00 0.00 175.10 174.46 1rd3 s MET 201 N -3.66 0.21 -0.45 4.82 -1.94 -0.09 0.59 119.30 118.79 1rd3 s MET 201 Ca 0.31 -0.14 -0.17 0.00 -1.71 0.00 0.00 55.69 53.98 1rd3 s MET 201 Cb -0.07 0.09 0.04 0.00 2.01 0.00 0.00 34.83 36.90 1rd3 s MET 201 CO 0.21 -0.04 0.44 0.21 -0.01 0.00 0.00 175.02 175.84 1rd3 s LYS 202 N -0.55 3.05 0.18 2.03 2.20 -1.26 -0.30 119.74 125.08 1rd3 s LYS 202 Ca -0.06 -0.98 -0.32 0.00 -0.36 0.00 0.00 55.97 54.25 1rd3 s LYS 202 Cb -0.04 -4.04 -0.11 0.00 -1.51 0.00 0.00 37.83 32.13 1rd3 s LYS 202 CO 0.00 -0.95 1.77 0.45 -0.36 0.00 0.00 175.35 176.26 1rd3 s SER 203 N 2.16 6.39 0.00 1.43 0.15 -0.65 -4.83 113.70 118.35 1rd3 s SER 203 Ca 0.09 2.83 0.29 0.00 0.70 0.00 0.00 55.95 59.86 1rd3 s SER 203 Cb -0.20 -2.59 1.23 0.00 -1.71 0.00 0.00 66.02 62.75 1rd3 s SER 203 CO 0.11 -0.99 1.92 -0.81 1.20 0.00 0.00 173.24 174.67 1rd3 n PRO 204 N 4.65 0.00 0.06 5.44 -0.04 -1.26 -1.04 135.00 142.81 1rd3 n PRO 204 Ca 0.17 0.01 -0.09 0.00 -0.04 0.00 0.00 63.50 63.55 1rd3 n PRO 204 Cb 0.36 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.20 1rd3 n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1rd3 h PHE 204 N 0.00 0.08 0.00 0.54 0.04 -1.97 -3.39 116.94 112.24 1rd3 h PHE 204 Ca 0.00 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1rd3 h PHE 204 Cb 0.49 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.64 1rd3 h PHE 204 CO 0.00 1.05 0.00 0.27 -0.60 0.00 0.00 178.31 179.03 1rd3 n ASN 204 N -3.36 0.00 -1.62 2.17 0.23 -1.23 -5.03 115.26 106.43 1rd3 n ASN 204 Ca -0.03 -1.00 -0.19 0.00 -0.53 0.00 0.00 54.58 52.83 1rd3 n ASN 204 Cb 0.96 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.59 1rd3 n ASN 204 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1rd3 n ASN 205 N 0.00 -5.37 -4.75 0.53 5.03 -0.21 -4.99 115.26 105.51 1rd3 n ASN 205 Ca 0.00 0.38 -0.34 0.00 0.87 0.00 0.00 54.58 55.49 1rd3 n ASN 205 Cb 0.44 -4.53 -0.08 0.00 -1.02 0.00 0.00 39.78 34.58 1rd3 n ASN 205 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1rd3 s ARG 206 N -3.89 3.05 0.02 3.52 0.52 -1.24 -4.86 118.95 116.06 1rd3 s ARG 206 Ca 0.00 -0.43 -0.28 0.00 -0.52 0.00 0.00 55.73 54.50 1rd3 s ARG 206 Cb 0.00 -2.85 -0.04 0.00 0.52 0.00 0.00 34.95 32.58 1rd3 s ARG 206 CO 0.00 0.68 0.88 -1.58 0.02 0.00 0.00 175.30 175.30 1rd3 s TRP 207 N -1.05 3.69 0.00 -0.53 0.52 -1.26 -1.64 118.94 118.67 1rd3 s TRP 207 Ca 0.18 1.59 0.07 0.00 0.02 0.00 0.00 56.10 57.96 1rd3 s TRP 207 Cb -0.12 -2.99 -0.03 0.00 -1.15 0.00 0.00 33.47 29.19 1rd3 s TRP 207 CO 0.08 0.10 -0.22 0.71 0.02 0.00 0.00 176.95 177.64 1rd3 s TYR 208 N 0.59 2.45 -0.59 -1.98 2.02 0.58 -2.29 117.35 118.13 1rd3 s TYR 208 Ca 0.46 -0.34 -0.21 0.00 -0.37 0.00 0.00 57.07 56.61 1rd3 s TYR 208 Cb -0.21 -1.49 0.08 0.00 -0.40 0.00 0.00 41.96 39.94 1rd3 s TYR 208 CO 0.25 0.10 0.78 -1.14 -1.57 0.00 0.00 175.55 173.98 1rd3 s GLN 209 N -0.95 3.11 0.05 -0.62 0.74 0.03 -0.91 119.66 121.10 1rd3 s GLN 209 Ca 0.12 -0.98 0.07 0.00 0.05 0.00 0.00 55.36 54.62 1rd3 s GLN 209 Cb -0.10 -4.20 -0.23 0.00 1.10 0.00 0.00 33.01 29.58 1rd3 s GLN 209 CO 0.01 -1.55 1.02 0.52 -0.55 0.00 0.00 175.29 174.75 1rd3 h MET 210 N 9.27 0.03 -4.04 1.67 2.86 -0.83 -3.38 114.93 120.51 1rd3 h MET 210 Ca -0.29 -0.06 -0.22 0.00 -2.06 0.00 0.00 59.70 57.07 1rd3 h MET 210 Cb 1.08 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.68 1rd3 h MET 210 CO 1.09 0.85 -0.20 0.20 1.06 0.00 0.00 176.91 179.91 1rd3 s GLY 211 N -4.87 1.26 -0.07 8.32 0.00 -0.84 -1.21 107.32 109.92 1rd3 s GLY 211 Ca -0.02 -1.38 0.04 0.00 0.00 0.00 0.00 44.72 43.35 1rd3 s GLY 211 CO 0.83 -0.94 -0.19 -0.42 0.00 0.00 0.00 173.10 172.37 1rd3 s ILE 212 N -3.34 1.63 -0.24 0.90 1.01 -0.98 -0.73 121.20 119.44 1rd3 s ILE 212 Ca 0.29 -0.80 -0.28 0.00 0.00 0.00 0.00 60.65 59.87 1rd3 s ILE 212 Cb 0.00 -1.41 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 1rd3 s ILE 212 CO 0.17 0.46 2.24 -0.69 0.00 0.00 0.00 174.94 177.12 1rd3 s VAL 213 N 0.24 3.01 -0.24 2.92 1.01 -0.25 -1.45 120.40 125.64 1rd3 s VAL 213 Ca -0.10 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 1rd3 s VAL 213 Cb -0.15 -3.01 -0.18 0.00 0.00 0.00 0.00 36.38 33.04 1rd3 s VAL 213 CO 0.05 -0.01 -0.13 -0.24 0.00 0.00 0.00 175.10 174.77 1rd3 n SER 214 N 12.07 2.00 -3.33 3.32 2.88 -0.08 -0.37 113.62 130.10 1rd3 n SER 214 Ca 0.30 0.03 -0.13 0.00 -1.33 0.00 0.00 58.87 57.74 1rd3 n SER 214 Cb 0.46 -0.59 -0.07 0.00 -0.75 0.00 0.00 64.21 63.26 1rd3 n SER 214 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 1rd3 s TRP 215 N -2.52 -0.60 0.16 0.66 -0.11 0.14 -4.91 118.94 111.77 1rd3 s TRP 215 Ca -0.33 -0.51 -0.20 0.00 1.22 0.00 0.00 56.10 56.27 1rd3 s TRP 215 Cb 0.09 -0.27 -0.08 0.00 -1.50 0.00 0.00 33.47 31.72 1rd3 s TRP 215 CO 0.61 -1.00 0.68 0.20 -4.62 0.00 0.00 176.95 172.81 1rd3 s GLY 216 N 1.65 2.69 -0.01 5.86 0.00 -1.26 -1.25 107.32 114.99 1rd3 s GLY 216 Ca 0.16 0.14 0.01 0.00 0.00 0.00 0.00 44.72 45.03 1rd3 s GLY 216 CO -0.08 0.55 0.87 0.28 0.00 0.00 0.00 173.10 174.72 1rd3 n LYS 217 N 1.20 2.07 0.01 2.90 5.02 -0.31 -3.41 118.16 125.64 1rd3 n LYS 217 Ca -0.06 -1.27 0.21 0.00 -2.02 0.00 0.00 58.31 55.18 1rd3 n LYS 217 Cb 0.50 -0.88 0.72 0.00 -0.02 0.00 0.00 35.03 35.35 1rd3 n LYS 217 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1rd3 h GLY 219 N 0.00 0.00 -2.05 0.72 0.00 -1.50 -1.20 103.07 99.05 1rd3 h GLY 219 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1rd3 h GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1rd3 s ASP 221 N -1.81 5.06 0.35 0.00 -0.00 -0.45 -0.59 116.67 119.23 1rd3 s ASP 221 Ca 0.31 0.42 0.04 0.00 -0.00 0.00 0.00 52.55 53.33 1rd3 s ASP 221 Cb 0.21 -1.19 0.65 0.00 -0.00 0.00 0.00 42.92 42.59 1rd3 s ASP 221 CO 0.30 -1.40 1.95 -0.09 -0.00 0.00 0.00 175.17 175.93 1rd3 h ARG 221 N -0.39 0.63 -3.84 8.23 2.43 -1.93 -3.46 114.38 116.06 1rd3 h ARG 221 Ca -0.44 -0.09 -0.18 0.00 -0.81 0.00 0.00 59.98 58.46 1rd3 h ARG 221 Cb 1.30 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 30.66 1rd3 h ARG 221 CO 0.59 0.52 -0.11 0.34 -1.51 0.00 0.00 179.97 179.81 1rd3 s ASP 222 N -6.65 0.52 0.00 -3.80 2.15 -1.26 -5.14 116.67 102.49 1rd3 s ASP 222 Ca -0.09 -1.30 0.00 0.00 0.43 0.00 0.00 52.55 51.60 1rd3 s ASP 222 Cb 0.16 0.67 0.00 0.00 -0.30 0.00 0.00 42.92 43.46 1rd3 s ASP 222 CO 0.76 -1.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.05 1rd3 n GLY 223 N -0.51 2.93 0.14 2.66 0.00 -1.26 -4.93 105.19 104.22 1rd3 n GLY 223 Ca -0.01 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 1rd3 n GLY 223 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1rd3 h LYS 224 N 0.00 0.38 -5.08 1.61 3.64 -1.95 -3.46 116.57 111.72 1rd3 h LYS 224 Ca 0.00 -0.25 -0.36 0.00 -1.27 0.00 0.00 60.65 58.77 1rd3 h LYS 224 Cb 0.00 0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 31.71 1rd3 h LYS 224 CO 0.00 0.85 -0.68 0.71 -2.27 0.00 0.00 179.45 178.06 1rd3 s TYR 225 N -4.00 1.45 0.16 1.91 1.51 -1.26 -4.79 117.35 112.33 1rd3 s TYR 225 Ca -0.14 -0.86 -0.04 0.00 -1.01 0.00 0.00 57.07 55.01 1rd3 s TYR 225 Cb 0.05 -0.81 -0.05 0.00 -0.11 0.00 0.00 41.96 41.04 1rd3 s TYR 225 CO 0.77 0.00 0.39 0.20 -1.11 0.00 0.00 175.55 175.81 1rd3 s GLY 226 N -3.25 2.15 -0.13 0.71 0.00 -0.43 -4.70 107.32 101.66 1rd3 s GLY 226 Ca 0.24 -0.60 -0.04 0.00 0.00 0.00 0.00 44.72 44.32 1rd3 s GLY 226 CO 0.06 -0.52 0.02 -1.36 0.00 0.00 0.00 173.10 171.29 1rd3 s PHE 227 N -1.72 3.18 0.08 1.90 2.99 -0.38 -1.91 117.98 122.12 1rd3 s PHE 227 Ca 0.41 0.06 0.07 0.00 0.00 0.00 0.00 56.93 57.47 1rd3 s PHE 227 Cb -0.12 -1.92 -0.03 0.00 0.00 0.00 0.00 43.02 40.95 1rd3 s PHE 227 CO 0.26 0.27 -0.18 0.71 -0.00 0.00 0.00 175.22 176.28 1rd3 s TYR 228 N -0.23 1.53 -0.14 0.36 1.51 0.39 -0.68 117.35 120.09 1rd3 s TYR 228 Ca 0.06 -0.43 -0.27 0.00 -1.01 0.00 0.00 57.07 55.43 1rd3 s TYR 228 Cb -0.12 -0.85 -0.02 0.00 -0.11 0.00 0.00 41.96 40.86 1rd3 s TYR 228 CO 0.02 0.13 0.89 0.99 -1.11 0.00 0.00 175.55 176.47 1rd3 s THR 229 N -1.16 4.86 -0.56 -0.71 2.01 -0.53 -1.16 115.64 118.40 1rd3 s THR 229 Ca 0.03 1.78 -0.27 0.00 0.31 0.00 0.00 61.69 63.54 1rd3 s THR 229 Cb -0.10 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.20 1rd3 s THR 229 CO 0.03 0.04 1.81 -2.28 -0.69 0.00 0.00 174.62 173.53 1rd3 s HIS 230 N 1.98 1.74 0.07 4.92 2.46 -0.54 -2.32 115.29 123.59 1rd3 s HIS 230 Ca 0.42 0.74 -0.25 0.00 0.47 0.00 0.00 55.06 56.44 1rd3 s HIS 230 Cb -0.17 -4.12 -0.16 0.00 -0.13 0.00 0.00 32.58 27.99 1rd3 s HIS 230 CO 0.15 -2.39 1.62 0.28 -2.47 0.00 0.00 174.74 171.93 1rd3 h VAL 231 N 6.83 0.90 -0.97 0.89 2.07 -1.45 -2.90 116.25 121.62 1rd3 h VAL 231 Ca -0.27 -0.19 0.13 0.00 0.82 0.00 0.00 66.70 67.18 1rd3 h VAL 231 Cb 1.16 1.02 -0.08 0.00 -1.52 0.00 0.00 31.29 31.87 1rd3 h VAL 231 CO 1.18 0.05 0.62 0.15 0.02 0.00 0.00 177.57 179.58 1rd3 h PHE 232 N -0.29 1.06 -0.04 1.57 3.57 -1.85 0.17 116.94 121.13 1rd3 h PHE 232 Ca -0.02 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1rd3 h PHE 232 Cb 0.23 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.63 1rd3 h PHE 232 CO -0.04 0.41 0.08 -0.09 -2.23 0.00 0.00 178.31 176.44 1rd3 h ARG 233 N 0.92 0.00 -0.11 1.11 9.65 -1.88 -1.74 114.38 122.31 1rd3 h ARG 233 Ca 0.49 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.37 1rd3 h ARG 233 Cb 0.55 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 1rd3 h ARG 233 CO -0.25 0.00 0.00 1.28 2.80 0.00 0.00 179.97 183.80 1rd3 n LEU 234 N -3.46 2.34 -0.34 3.80 4.77 0.48 -4.71 117.00 119.88 1rd3 n LEU 234 Ca -0.02 -2.06 -0.01 0.00 -0.03 0.00 0.00 56.01 53.89 1rd3 n LEU 234 Cb 0.16 -0.10 0.12 0.00 -2.33 0.00 0.00 43.42 41.27 1rd3 n LEU 234 CO 0.23 0.58 1.24 0.50 -1.33 0.00 0.00 177.39 178.62 1rd3 h LYS 235 N 0.67 1.13 -0.88 3.23 3.64 -0.29 -1.53 116.57 122.54 1rd3 h LYS 235 Ca 0.00 -0.07 0.20 0.00 -1.27 0.00 0.00 60.65 59.51 1rd3 h LYS 235 Cb 0.61 -0.25 -0.12 0.00 -0.41 0.00 0.00 32.23 32.06 1rd3 h LYS 235 CO 0.00 0.75 0.39 -0.22 -2.27 0.00 0.00 179.45 178.10 1rd3 h LYS 236 N 1.16 0.44 -0.16 1.90 1.63 -1.84 0.24 116.57 119.94 1rd3 h LYS 236 Ca 0.36 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 60.05 1rd3 h LYS 236 Cb -0.02 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.51 1rd3 h LYS 236 CO -0.11 0.29 -0.24 2.35 -3.45 0.00 0.00 179.45 178.29 1rd3 h TRP 237 N 0.45 0.56 -0.59 1.91 7.01 -1.67 -2.35 115.95 121.26 1rd3 h TRP 237 Ca 0.53 -0.19 0.09 0.00 2.11 0.00 0.00 58.89 61.43 1rd3 h TRP 237 Cb 0.94 -0.11 -0.07 0.00 -2.10 0.00 0.00 29.16 27.82 1rd3 h TRP 237 CO -0.13 0.87 0.22 0.82 -2.79 0.00 0.00 178.44 177.43 1rd3 h ILE 238 N 0.08 0.78 -0.44 2.65 2.04 0.10 -1.52 117.51 121.20 1rd3 h ILE 238 Ca 0.02 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 1rd3 h ILE 238 Cb 0.81 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1rd3 h ILE 238 CO 0.06 0.07 0.10 1.56 0.00 0.00 0.00 178.15 179.94 1rd3 h GLN 239 N 0.40 0.71 -0.36 2.37 4.20 -0.65 -2.19 115.11 119.58 1rd3 h GLN 239 Ca 0.30 -0.17 0.06 0.00 0.06 0.00 0.00 58.65 58.90 1rd3 h GLN 239 Cb 0.36 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.99 1rd3 h GLN 239 CO -0.30 0.72 0.02 -0.22 -0.67 0.00 0.00 178.83 178.37 1rd3 h LYS 240 N 0.58 0.12 0.60 1.46 3.64 -0.78 0.96 116.57 123.14 1rd3 h LYS 240 Ca 0.14 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1rd3 h LYS 240 Cb 0.33 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1rd3 h LYS 240 CO 0.00 0.08 -0.29 0.28 -2.27 0.00 0.00 179.45 177.25 1rd3 h VAL 241 N 0.12 0.41 -0.25 2.00 2.07 -1.22 -3.14 116.25 116.25 1rd3 h VAL 241 Ca 0.18 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.69 1rd3 h VAL 241 Cb 0.24 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1rd3 h VAL 241 CO -0.28 0.00 0.13 0.40 0.02 0.00 0.00 177.57 177.84 1rd3 h ILE 242 N -0.81 1.01 0.00 4.57 2.04 -1.03 -2.78 117.51 120.50 1rd3 h ILE 242 Ca -0.08 -0.09 -0.28 0.00 1.00 0.00 0.00 64.86 65.41 1rd3 h ILE 242 Cb 0.62 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1rd3 h ILE 242 CO 0.13 0.05 1.14 0.47 0.00 0.00 0.00 178.15 179.95 1rd3 n ASP 243 N -4.97 4.82 0.00 1.72 10.43 0.33 -2.78 116.55 126.11 1rd3 n ASP 243 Ca -0.02 -2.29 0.00 0.00 2.57 0.00 0.00 54.79 55.05 1rd3 n ASP 243 Cb 0.05 -1.12 0.00 0.00 1.84 0.00 0.00 41.12 41.89 1rd3 n ASP 243 CO 0.00 0.00 0.00 1.67 -1.07 0.00 0.00 177.20 177.80 1rd3 n GLN 244 N 3.17 0.00 -0.11 -1.24 7.27 -1.16 -4.88 117.38 120.44 1rd3 n GLN 244 Ca 0.42 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.52 1rd3 n GLN 244 Cb 0.47 0.00 0.09 0.00 2.41 0.00 0.00 30.24 33.21 1rd3 n GLN 244 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1rd3 n PHE 245 N -0.15 0.24 0.00 3.69 3.72 -1.06 -5.13 117.46 118.76 1rd3 n PHE 245 Ca 0.00 -0.58 0.00 0.00 -0.05 0.00 0.00 57.45 56.82 1rd3 n PHE 245 Cb 0.00 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 1rd3 n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12