#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 3.96 -1.55 1.39 1.01 0.03 -3.95 120.40 121.29 1rd3 s VAL 17 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1rd3 s VAL 17 Cb 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.67 1rd3 s VAL 17 CO 0.00 0.52 0.00 -0.62 0.00 0.00 0.00 175.10 175.00 1rd3 n GLU 18 N 3.20 -1.30 0.00 2.72 -0.58 -1.26 -1.57 120.64 121.86 1rd3 n GLU 18 Ca -0.18 0.90 0.00 0.00 -0.42 0.00 0.00 57.16 57.47 1rd3 n GLU 18 Cb 0.53 -5.27 0.00 0.00 -0.57 0.00 0.00 31.44 26.12 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 -0.98 1.78 3.27 0.62 0.00 -1.26 -4.49 105.19 104.13 1rd3 n GLY 19 Ca -0.19 -1.96 -0.13 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.00 0.33 0.24 1.61 1.04 -0.64 -4.94 113.70 110.34 1rd3 s SER 20 Ca 0.00 -1.38 -0.30 0.00 0.48 0.00 0.00 55.95 54.75 1rd3 s SER 20 Cb 0.00 0.44 -0.09 0.00 0.10 0.00 0.00 66.02 66.47 1rd3 s SER 20 CO 0.00 -0.92 1.20 -1.81 0.98 0.00 0.00 173.24 172.69 1rd3 s ASP 21 N -3.17 7.07 0.60 7.02 1.01 -1.26 -0.45 116.67 127.49 1rd3 s ASP 21 Ca 0.37 2.33 -0.15 0.00 0.71 0.00 0.00 52.55 55.81 1rd3 s ASP 21 Cb 0.05 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1rd3 s ASP 21 CO 0.14 -0.35 1.05 0.00 0.21 0.00 0.00 175.17 176.22 1rd3 s ALA 22 N -0.52 2.79 0.33 5.23 0.00 0.16 -4.77 121.76 124.99 1rd3 s ALA 22 Ca 0.50 0.30 -0.09 0.00 0.00 0.00 0.00 51.96 52.67 1rd3 s ALA 22 Cb -0.34 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.52 1rd3 s ALA 22 CO 0.40 -0.78 0.67 -1.21 0.00 0.00 0.00 175.76 174.84 1rd3 s GLU 23 N -4.25 3.76 0.17 0.00 2.02 -1.26 -4.91 118.70 114.22 1rd3 s GLU 23 Ca 0.62 0.31 -0.34 0.00 0.02 0.00 0.00 54.97 55.58 1rd3 s GLU 23 Cb -0.15 -2.51 -0.14 0.00 0.10 0.00 0.00 34.13 31.43 1rd3 s GLU 23 CO 0.39 0.11 1.48 -0.89 0.02 0.00 0.00 175.26 176.38 1rd3 n ILE 24 N -0.92 0.26 -1.00 -1.63 2.08 -1.26 -0.90 119.36 116.00 1rd3 n ILE 24 Ca 0.01 -0.06 0.00 0.00 0.56 0.00 0.00 62.75 63.25 1rd3 n ILE 24 Cb 0.54 -1.38 0.00 0.00 -0.75 0.00 0.00 39.64 38.05 1rd3 n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1rd3 n GLY 25 N 2.92 0.24 0.15 7.39 0.00 -1.26 -4.88 105.19 109.74 1rd3 n GLY 25 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 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 0.49 0.12 -2.04 1.61 -1.53 -1.39 -3.33 114.93 108.86 1rd3 h MET 26 Ca 0.00 -0.09 -0.56 0.00 -3.44 0.00 0.00 59.70 55.62 1rd3 h MET 26 Cb 0.52 0.02 -0.40 0.00 -0.55 0.00 0.00 31.60 31.18 1rd3 h MET 26 CO 0.00 0.72 -1.03 0.45 0.14 0.00 0.00 176.91 177.19 1rd3 n SER 27 N -3.81 0.96 0.00 1.39 2.88 -1.26 -4.95 113.62 108.83 1rd3 n SER 27 Ca -0.02 -2.89 0.04 0.00 -1.33 0.00 0.00 58.87 54.67 1rd3 n SER 27 Cb 0.64 -0.64 0.21 0.00 -0.75 0.00 0.00 64.21 63.67 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 1.10 0.14 -0.22 -1.46 -0.04 -1.25 -1.54 135.00 131.73 1rd3 n PRO 28 Ca 0.23 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 63.98 1rd3 n PRO 28 Cb 0.53 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.23 0.57 -2.17 0.54 2.14 -1.05 -1.22 117.44 115.01 1rd3 n TRP 29 Ca 0.04 -0.29 -0.42 0.00 2.07 0.00 0.00 57.50 58.91 1rd3 n TRP 29 Cb 0.06 -0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.53 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 -1.41 4.34 0.00 -2.67 2.00 -0.59 -0.14 119.66 121.20 1rd3 s GLN 30 Ca 0.40 2.09 0.05 0.00 -2.00 0.00 0.00 55.36 55.90 1rd3 s GLN 30 Cb 0.23 -3.22 -0.01 0.00 0.80 0.00 0.00 33.01 30.81 1rd3 s GLN 30 CO 0.32 -0.37 -0.14 0.08 -0.50 0.00 0.00 175.29 174.67 1rd3 s VAL 31 N 0.66 1.14 -0.19 1.34 1.01 -0.03 -3.78 120.40 120.54 1rd3 s VAL 31 Ca 0.61 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 1rd3 s VAL 31 Cb -0.37 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1rd3 s VAL 31 CO 0.34 0.24 0.03 -0.04 0.00 0.00 0.00 175.10 175.67 1rd3 s MET 32 N -0.56 3.79 -0.27 2.72 1.00 -0.31 -1.08 119.30 124.59 1rd3 s MET 32 Ca 0.05 -0.44 -0.12 0.00 0.00 0.00 0.00 55.69 55.18 1rd3 s MET 32 Cb -0.06 -3.15 -0.05 0.00 0.00 0.00 0.00 34.83 31.57 1rd3 s MET 32 CO -0.00 0.13 0.22 -1.17 0.00 0.00 0.00 175.02 174.21 1rd3 s LEU 33 N 0.72 4.03 0.20 -0.03 0.20 -0.99 -1.50 118.68 121.32 1rd3 s LEU 33 Ca 0.02 0.06 0.09 0.00 0.69 0.00 0.00 54.13 54.99 1rd3 s LEU 33 Cb -0.14 -2.18 -0.04 0.00 -0.43 0.00 0.00 46.19 43.40 1rd3 s LEU 33 CO 0.02 -0.07 -0.08 -0.36 -0.29 0.00 0.00 176.35 175.57 1rd3 s PHE 34 N 1.75 2.63 0.11 5.38 0.40 0.11 -0.18 117.98 128.19 1rd3 s PHE 34 Ca 0.09 -0.23 -0.23 0.00 -0.60 0.00 0.00 56.93 55.95 1rd3 s PHE 34 Cb -0.16 -1.25 -0.07 0.00 0.51 0.00 0.00 43.02 42.05 1rd3 s PHE 34 CO 0.10 0.54 0.71 0.50 0.70 0.00 0.00 175.22 177.78 1rd3 s ARG 35 N -3.02 4.45 0.13 0.44 3.52 0.52 -1.46 118.95 123.53 1rd3 s ARG 35 Ca 0.26 1.01 -0.12 0.00 -0.13 0.00 0.00 55.73 56.75 1rd3 s ARG 35 Cb -0.08 -3.28 -0.05 0.00 -1.56 0.00 0.00 34.95 29.98 1rd3 s ARG 35 CO 0.16 0.52 1.46 -0.22 -0.81 0.00 0.00 175.30 176.42 1rd3 h LYS 36 N 4.71 0.85 -1.83 5.12 3.64 0.49 -3.17 116.57 126.38 1rd3 h LYS 36 Ca -0.47 -0.44 0.07 0.00 -1.27 0.00 0.00 60.65 58.55 1rd3 h LYS 36 Cb 1.21 0.01 -0.22 0.00 -0.41 0.00 0.00 32.23 32.82 1rd3 h LYS 36 CO 0.66 1.08 0.02 0.45 -2.27 0.00 0.00 179.45 179.39 1rd3 s SER 36 N -6.70 -0.94 0.75 4.20 0.15 -1.26 -3.71 113.70 106.19 1rd3 s SER 36 Ca -0.12 1.38 -0.13 0.00 0.70 0.00 0.00 55.95 57.78 1rd3 s SER 36 Cb 0.10 1.79 0.05 0.00 -1.71 0.00 0.00 66.02 66.25 1rd3 s SER 36 CO 0.86 -0.20 1.15 -2.16 1.20 0.00 0.00 173.24 174.09 1rd3 s PRO 37 N 2.23 2.10 -0.35 5.44 0.04 -1.26 -5.05 135.00 138.15 1rd3 s PRO 37 Ca -0.07 1.54 -0.29 0.00 0.04 0.00 0.00 61.00 62.22 1rd3 s PRO 37 Cb -0.08 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.63 1rd3 s PRO 37 CO -0.19 -1.82 1.17 -1.14 0.04 0.00 0.00 177.00 175.06 1rd3 s GLN 38 N -4.25 3.93 -0.01 4.56 0.74 -1.24 -4.61 119.66 118.78 1rd3 s GLN 38 Ca 0.69 1.02 -0.05 0.00 0.05 0.00 0.00 55.36 57.07 1rd3 s GLN 38 Cb -0.24 -3.82 0.00 0.00 1.10 0.00 0.00 33.01 30.05 1rd3 s GLN 38 CO 0.48 -1.09 0.12 -1.83 -0.55 0.00 0.00 175.29 172.42 1rd3 s GLU 39 N 4.02 0.35 0.01 1.67 -1.05 -1.20 -4.95 118.70 117.56 1rd3 s GLU 39 Ca 0.50 -0.22 -0.30 0.00 -0.15 0.00 0.00 54.97 54.79 1rd3 s GLU 39 Cb -0.13 0.15 -0.04 0.00 -0.44 0.00 0.00 34.13 33.67 1rd3 s GLU 39 CO 0.22 -0.07 1.17 -1.17 0.95 0.00 0.00 175.26 176.36 1rd3 s LEU 40 N -0.89 4.34 -0.14 1.83 2.96 -1.26 -0.35 118.68 125.16 1rd3 s LEU 40 Ca -0.10 1.90 -0.12 0.00 -0.22 0.00 0.00 54.13 55.59 1rd3 s LEU 40 Cb -0.06 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 43.00 1rd3 s LEU 40 CO 0.01 -0.49 -0.25 0.18 -1.32 0.00 0.00 176.35 174.48 1rd3 n LEU 41 N 4.40 1.59 0.00 -0.68 4.77 0.75 -4.92 117.00 122.91 1rd3 n LEU 41 Ca 0.09 0.26 -0.04 0.00 -0.03 0.00 0.00 56.01 56.30 1rd3 n LEU 41 Cb 0.47 -0.61 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1rd3 n LEU 41 CO 0.55 -0.09 -0.00 0.00 -1.33 0.00 0.00 177.39 176.51 1rd3 s GLY 43 N -1.49 2.07 0.20 0.00 0.00 0.15 -2.35 107.32 105.91 1rd3 s GLY 43 Ca 0.08 -1.89 -0.23 0.00 0.00 0.00 0.00 44.72 42.67 1rd3 s GLY 43 CO 0.06 -1.76 0.91 0.00 0.00 0.00 0.00 173.10 172.30 1rd3 s ALA 44 N -2.47 -1.49 0.03 3.20 0.00 -0.24 -3.30 121.76 117.49 1rd3 s ALA 44 Ca 0.41 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.31 1rd3 s ALA 44 Cb -0.01 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.79 1rd3 s ALA 44 CO 0.24 -1.04 -0.06 -1.54 0.00 0.00 0.00 175.76 173.36 1rd3 s SER 45 N -2.99 0.64 -0.26 0.00 1.04 0.85 -0.85 113.70 112.12 1rd3 s SER 45 Ca 0.13 -0.48 -0.20 0.00 0.48 0.00 0.00 55.95 55.88 1rd3 s SER 45 Cb -0.03 0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.12 1rd3 s SER 45 CO 0.04 -0.20 0.61 -0.22 0.98 0.00 0.00 173.24 174.45 1rd3 s LEU 46 N -1.38 4.07 0.00 2.42 2.96 0.80 0.43 118.68 127.98 1rd3 s LEU 46 Ca -0.10 0.63 0.11 0.00 -0.22 0.00 0.00 54.13 54.55 1rd3 s LEU 46 Cb -0.09 -2.81 -0.09 0.00 0.50 0.00 0.00 46.19 43.69 1rd3 s LEU 46 CO -0.00 -0.37 0.50 2.30 -1.32 0.00 0.00 176.35 177.45 1rd3 n ILE 47 N 5.22 0.00 -3.79 6.68 -5.35 -0.72 -1.66 119.36 119.74 1rd3 n ILE 47 Ca -0.01 -0.28 -0.07 0.00 -0.27 0.00 0.00 62.75 62.12 1rd3 n ILE 47 Cb 0.49 1.03 0.03 0.00 -1.74 0.00 0.00 39.64 39.44 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 -1.04 -2.08 0.00 7.28 3.41 -1.17 -4.69 113.62 115.33 1rd3 n SER 48 Ca 0.03 -2.38 0.14 0.00 -0.26 0.00 0.00 58.87 56.40 1rd3 n SER 48 Cb 0.18 3.45 0.74 0.00 -0.26 0.00 0.00 64.21 68.32 1rd3 n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1rd3 n ASP 49 N -1.46 0.00 0.00 4.04 5.68 -1.26 -3.69 116.55 119.86 1rd3 n ASP 49 Ca -0.07 -0.37 0.00 0.00 -0.50 0.00 0.00 54.79 53.85 1rd3 n ASP 49 Cb 0.57 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 1rd3 n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1rd3 n ARG 50 N -1.19 3.06 -4.27 0.11 1.74 -1.26 -0.48 116.66 114.36 1rd3 n ARG 50 Ca 0.16 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.90 1rd3 n ARG 50 Cb 0.18 -0.38 -0.11 0.00 -1.02 0.00 0.00 32.46 31.13 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 -0.44 3.12 -0.07 -1.55 0.52 -1.24 0.18 118.94 119.46 1rd3 s TRP 51 Ca 0.00 -0.10 0.05 0.00 0.02 0.00 0.00 56.10 56.07 1rd3 s TRP 51 Cb 0.00 -1.97 -0.01 0.00 -1.15 0.00 0.00 33.47 30.35 1rd3 s TRP 51 CO 0.00 0.11 -0.23 0.08 0.02 0.00 0.00 176.95 176.93 1rd3 s VAL 52 N 0.16 1.93 -0.07 4.03 1.01 0.15 -1.76 120.40 125.86 1rd3 s VAL 52 Ca 0.01 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 1rd3 s VAL 52 Cb -0.13 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1rd3 s VAL 52 CO 0.02 0.54 0.13 -0.22 0.00 0.00 0.00 175.10 175.57 1rd3 s LEU 53 N 0.05 4.25 0.00 3.92 2.96 0.17 0.08 118.68 130.11 1rd3 s LEU 53 Ca -0.09 0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 54.17 1rd3 s LEU 53 Cb -0.15 -2.24 0.01 0.00 0.50 0.00 0.00 46.19 44.32 1rd3 s LEU 53 CO 0.05 0.35 0.17 1.07 -1.32 0.00 0.00 176.35 176.67 1rd3 n THR 54 N 1.58 0.00 -3.55 3.68 5.66 -0.41 -0.11 114.28 121.13 1rd3 n THR 54 Ca -0.16 -0.32 -0.37 0.00 -3.05 0.00 0.00 64.05 60.15 1rd3 n THR 54 Cb 0.54 0.26 -0.07 0.00 -1.55 0.00 0.00 70.33 69.51 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 -1.49 3.64 0.22 1.79 0.00 -1.26 -1.95 121.76 122.71 1rd3 s ALA 55 Ca 0.05 -0.39 -0.08 0.00 0.00 0.00 0.00 51.96 51.54 1rd3 s ALA 55 Cb -0.01 -2.36 0.28 0.00 0.00 0.00 0.00 23.12 21.03 1rd3 s ALA 55 CO 0.04 0.25 1.81 0.00 0.00 0.00 0.00 175.76 177.86 1rd3 h ALA 56 N 5.96 0.97 0.00 0.00 0.00 -1.72 -0.28 119.26 124.19 1rd3 h ALA 56 Ca -0.46 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1rd3 h ALA 56 Cb 1.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1rd3 h ALA 56 CO 0.70 0.07 0.00 -2.39 0.00 0.00 0.00 179.25 177.62 1rd3 n HIS 57 N -4.77 0.00 0.08 0.00 1.44 -1.25 -0.69 115.22 110.03 1rd3 n HIS 57 Ca 0.10 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.71 1rd3 n HIS 57 Cb 0.20 -0.16 -0.08 0.00 0.12 0.00 0.00 29.99 30.07 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 -3.50 2.52 -3.88 0.00 4.77 -0.16 -4.91 117.00 111.84 1rd3 n LEU 59 Ca -0.03 0.11 -0.28 0.00 -0.03 0.00 0.00 56.01 55.78 1rd3 n LEU 59 Cb 0.91 -0.93 -0.16 0.00 -2.33 0.00 0.00 43.42 40.91 1rd3 n LEU 59 CO 0.49 0.75 -0.42 -0.22 -1.33 0.00 0.00 177.39 176.67 1rd3 s LEU 60 N -7.03 1.68 0.23 2.23 2.96 0.14 -0.79 118.68 118.09 1rd3 s LEU 60 Ca -0.33 -0.74 -0.20 0.00 -0.22 0.00 0.00 54.13 52.64 1rd3 s LEU 60 Cb 0.10 -0.91 0.03 0.00 0.50 0.00 0.00 46.19 45.91 1rd3 s LEU 60 CO 0.60 -0.20 0.63 -0.47 -1.32 0.00 0.00 176.35 175.58 1rd3 s TYR 60 N 1.63 -0.20 0.00 5.38 5.04 0.87 -3.96 117.35 126.11 1rd3 s TYR 60 Ca -0.00 -0.17 0.00 0.00 -2.44 0.00 0.00 57.07 54.46 1rd3 s TYR 60 Cb -0.16 0.56 0.00 0.00 0.35 0.00 0.00 41.96 42.71 1rd3 s TYR 60 CO -0.07 -1.06 0.00 -2.30 -1.34 0.00 0.00 175.55 170.78 1rd3 n PRO 60 N -0.41 0.00 -1.44 4.97 -0.02 -1.26 -2.67 135.00 134.17 1rd3 n PRO 60 Ca -0.08 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.30 1rd3 n PRO 60 Cb 0.61 -0.38 0.10 0.00 -0.02 0.00 0.00 33.50 33.81 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 -0.04 1.51 -3.91 6.00 8.01 -1.26 -4.97 117.44 122.78 1rd3 n TRP 60 Ca 0.00 -1.88 -0.29 0.00 -1.31 0.00 0.00 57.50 54.02 1rd3 n TRP 60 Cb 0.00 -0.30 0.02 0.00 -2.01 0.00 0.00 31.31 29.02 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 -0.85 -3.83 -4.04 -0.99 8.00 -1.23 -4.96 116.55 108.64 1rd3 n ASP 60 Ca 0.32 -0.82 -0.31 0.00 0.71 0.00 0.00 54.79 54.69 1rd3 n ASP 60 Cb 0.85 -3.77 -0.16 0.00 -0.02 0.00 0.00 41.12 38.02 1rd3 n ASP 60 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1rd3 s LYS 60 N -6.54 2.46 -0.46 -1.24 1.02 -1.09 -5.02 119.74 108.87 1rd3 s LYS 60 Ca 0.53 -0.68 0.07 0.00 0.02 0.00 0.00 55.97 55.91 1rd3 s LYS 60 Cb -0.27 -2.28 0.18 0.00 -0.52 0.00 0.00 37.83 34.95 1rd3 s LYS 60 CO 0.84 -0.25 0.64 1.21 -0.92 0.00 0.00 175.35 176.86 1rd3 s ASN 60 N 1.42 -1.04 0.11 2.83 3.84 -1.19 -0.09 114.94 120.82 1rd3 s ASN 60 Ca 0.04 -1.51 0.02 0.00 0.21 0.00 0.00 52.86 51.61 1rd3 s ASN 60 Cb -0.13 1.63 -0.04 0.00 -0.55 0.00 0.00 41.25 42.16 1rd3 s ASN 60 CO -0.11 -0.12 0.24 -0.36 -2.79 0.00 0.00 177.10 173.96 1rd3 s PHE 60 N 1.18 3.47 0.39 0.43 0.08 0.03 -5.02 117.98 118.53 1rd3 s PHE 60 Ca 0.24 0.16 0.06 0.00 0.12 0.00 0.00 56.93 57.51 1rd3 s PHE 60 Cb -0.02 -1.69 -0.08 0.00 -0.57 0.00 0.00 43.02 40.66 1rd3 s PHE 60 CO -0.07 0.54 0.02 -0.08 -0.10 0.00 0.00 175.22 175.54 1rd3 s THR 60 N -1.64 1.77 0.30 0.64 -1.32 -1.26 -4.82 115.64 109.32 1rd3 s THR 60 Ca 0.34 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 58.87 1rd3 s THR 60 Cb -0.12 -2.94 0.33 0.00 -1.51 0.00 0.00 72.50 68.26 1rd3 s THR 60 CO 0.28 -0.00 1.63 -0.33 -2.21 0.00 0.00 174.62 173.99 1rd3 h GLU 61 N 1.87 0.17 0.00 7.08 3.07 -1.90 0.10 114.58 124.97 1rd3 h GLU 61 Ca -0.43 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 1rd3 h GLU 61 Cb 1.24 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1rd3 h GLU 61 CO 0.78 0.11 0.00 0.09 -1.40 0.00 0.00 179.01 178.59 1rd3 n ASN 62 N -5.25 0.00 0.01 1.42 4.13 -1.26 -2.93 115.26 111.37 1rd3 n ASN 62 Ca 0.24 -0.66 0.11 0.00 1.68 0.00 0.00 54.58 55.95 1rd3 n ASN 62 Cb 0.78 -0.09 0.08 0.00 -1.54 0.00 0.00 39.78 39.01 1rd3 n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1rd3 n ASP 63 N -1.09 0.67 -4.66 6.41 8.00 0.02 -4.88 116.55 121.01 1rd3 n ASP 63 Ca 0.19 -0.43 -0.23 0.00 0.71 0.00 0.00 54.79 55.03 1rd3 n ASP 63 Cb 0.14 0.61 -0.07 0.00 -0.02 0.00 0.00 41.12 41.78 1rd3 n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rd3 s LEU 64 N -3.30 3.17 -0.02 0.64 1.43 -1.15 0.11 118.68 119.57 1rd3 s LEU 64 Ca 0.08 -0.72 -0.10 0.00 -1.03 0.00 0.00 54.13 52.36 1rd3 s LEU 64 Cb 0.16 -1.67 0.01 0.00 0.03 0.00 0.00 46.19 44.73 1rd3 s LEU 64 CO 0.78 -0.09 0.21 -0.22 0.23 0.00 0.00 176.35 177.25 1rd3 s LEU 65 N -3.71 1.26 -0.01 1.79 0.20 -0.54 -4.40 118.68 113.27 1rd3 s LEU 65 Ca 0.33 0.03 0.04 0.00 0.69 0.00 0.00 54.13 55.22 1rd3 s LEU 65 Cb -0.05 0.87 -0.01 0.00 -0.43 0.00 0.00 46.19 46.57 1rd3 s LEU 65 CO 0.20 -0.32 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.13 1rd3 s VAL 66 N -1.01 0.92 -0.10 1.68 1.01 0.17 0.08 120.40 123.14 1rd3 s VAL 66 Ca -0.11 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1rd3 s VAL 66 Cb -0.06 -0.77 -0.00 0.00 0.00 0.00 0.00 36.38 35.55 1rd3 s VAL 66 CO 0.02 0.25 -0.22 -0.13 0.00 0.00 0.00 175.10 175.02 1rd3 s ARG 67 N -0.30 3.11 0.12 2.72 0.52 -0.56 0.43 118.95 124.98 1rd3 s ARG 67 Ca 0.04 -0.84 0.11 0.00 -0.52 0.00 0.00 55.73 54.52 1rd3 s ARG 67 Cb -0.05 -2.37 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 1rd3 s ARG 67 CO -0.00 0.19 -0.27 0.42 0.02 0.00 0.00 175.30 175.66 1rd3 s ILE 68 N 0.33 2.25 -0.02 1.52 1.01 0.13 -1.16 121.20 125.26 1rd3 s ILE 68 Ca -0.17 -1.70 0.00 0.00 0.00 0.00 0.00 60.65 58.78 1rd3 s ILE 68 Cb -0.17 -1.98 0.00 0.00 0.01 0.00 0.00 42.46 40.32 1rd3 s ILE 68 CO 0.08 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.76 1rd3 n GLY 69 N 1.03 0.46 3.84 6.18 0.00 -1.25 -0.26 105.19 115.19 1rd3 n GLY 69 Ca -0.18 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.82 4.03 -0.00 1.61 1.02 -1.26 -4.28 119.74 120.03 1rd3 s LYS 70 Ca 0.00 0.60 0.00 0.00 0.02 0.00 0.00 55.97 56.59 1rd3 s LYS 70 Cb 0.00 -2.74 -0.00 0.00 -0.52 0.00 0.00 37.83 34.57 1rd3 s LYS 70 CO 0.00 0.35 -0.00 1.58 -0.92 0.00 0.00 175.35 176.36 1rd3 n HIS 71 N 0.33 0.00 -5.20 3.18 -0.00 -1.26 -4.87 115.22 107.40 1rd3 n HIS 71 Ca -0.01 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.39 1rd3 n HIS 71 Cb 0.52 -0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.35 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 -3.41 3.21 0.33 0.26 0.15 -1.26 -1.59 113.70 111.39 1rd3 s SER 72 Ca -0.00 -0.48 0.18 0.00 0.70 0.00 0.00 55.95 56.35 1rd3 s SER 72 Cb 0.00 -0.95 0.16 0.00 -1.71 0.00 0.00 66.02 63.52 1rd3 s SER 72 CO 0.00 0.24 1.48 -0.09 1.20 0.00 0.00 173.24 176.07 1rd3 h ARG 73 N 6.12 0.00 0.00 5.44 2.43 -0.48 -3.40 114.38 124.50 1rd3 h ARG 73 Ca -0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1rd3 h ARG 73 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1rd3 h ARG 73 CO 0.48 0.30 0.00 0.25 -1.51 0.00 0.00 179.97 179.49 1rd3 n THR 74 N -3.16 0.00 -2.18 0.20 -2.24 -1.26 -4.93 114.28 100.71 1rd3 n THR 74 Ca 0.02 0.36 -0.37 0.00 -2.27 0.00 0.00 64.05 61.80 1rd3 n THR 74 Cb 0.66 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 1rd3 n THR 74 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1rd3 s ARG 75 N -0.72 3.53 0.08 -0.78 3.00 -1.26 -5.01 118.95 117.78 1rd3 s ARG 75 Ca 0.00 1.80 -0.26 0.00 -1.00 0.00 0.00 55.73 56.27 1rd3 s ARG 75 Cb 0.00 -2.26 -0.06 0.00 0.00 0.00 0.00 34.95 32.63 1rd3 s ARG 75 CO 0.00 -0.75 0.80 -0.47 0.00 0.00 0.00 175.30 174.88 1rd3 s TYR 76 N -1.57 3.78 -0.98 5.12 5.04 -1.26 -4.79 117.35 122.69 1rd3 s TYR 76 Ca 0.68 1.55 -0.13 0.00 -2.44 0.00 0.00 57.07 56.73 1rd3 s TYR 76 Cb -0.29 -2.85 0.22 0.00 0.35 0.00 0.00 41.96 39.38 1rd3 s TYR 76 CO 0.34 0.30 1.02 -1.21 -1.34 0.00 0.00 175.55 174.66 1rd3 s GLU 77 N -0.22 3.85 -0.18 4.97 2.02 -1.26 -5.01 118.70 122.88 1rd3 s GLU 77 Ca 0.40 -2.60 -0.35 0.00 0.02 0.00 0.00 54.97 52.44 1rd3 s GLU 77 Cb -0.21 -4.63 -0.16 0.00 0.10 0.00 0.00 34.13 29.23 1rd3 s GLU 77 CO 0.25 -1.42 1.04 -2.13 0.02 0.00 0.00 175.26 173.03 1rd3 n ARG 77 N 4.22 0.00 -0.93 1.61 3.00 -1.26 -0.46 116.66 122.84 1rd3 n ARG 77 Ca 0.21 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 58.01 1rd3 n ARG 77 Cb 0.44 -1.20 -0.02 0.00 0.00 0.00 0.00 32.46 31.68 1rd3 n ARG 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1rd3 n ASN 78 N 2.08 -3.46 0.02 6.15 4.13 -1.26 -4.71 115.26 118.21 1rd3 n ASN 78 Ca 0.20 0.13 -0.02 0.00 1.68 0.00 0.00 54.58 56.57 1rd3 n ASN 78 Cb 0.01 -2.65 -0.01 0.00 -1.54 0.00 0.00 39.78 35.60 1rd3 n ASN 78 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1rd3 n ILE 79 N -1.47 1.28 -2.05 2.41 5.41 0.39 -5.06 119.36 120.28 1rd3 n ILE 79 Ca -0.05 0.34 -0.32 0.00 1.00 0.00 0.00 62.75 63.72 1rd3 n ILE 79 Cb 0.35 -1.76 0.01 0.00 -0.71 0.00 0.00 39.64 37.52 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 -2.20 3.41 0.01 0.38 -1.05 -0.88 -4.79 118.70 113.58 1rd3 s GLU 80 Ca -0.07 1.10 0.04 0.00 -0.15 0.00 0.00 54.97 55.90 1rd3 s GLU 80 Cb 0.01 -2.05 -0.01 0.00 -0.44 0.00 0.00 34.13 31.63 1rd3 s GLU 80 CO 0.10 -0.73 -0.14 0.15 0.95 0.00 0.00 175.26 175.59 1rd3 s LYS 81 N -4.24 1.04 -0.11 -4.83 3.01 0.64 -4.97 119.74 110.29 1rd3 s LYS 81 Ca 0.62 -0.59 0.00 0.00 -1.01 0.00 0.00 55.97 54.99 1rd3 s LYS 81 Cb -0.14 -1.03 -0.02 0.00 -1.01 0.00 0.00 37.83 35.63 1rd3 s LYS 81 CO 0.39 0.27 -0.11 -1.50 0.51 0.00 0.00 175.35 174.91 1rd3 s ILE 82 N -0.51 3.27 0.02 2.17 2.07 -1.26 0.17 121.20 127.13 1rd3 s ILE 82 Ca 0.04 -0.60 0.00 0.00 -1.41 0.00 0.00 60.65 58.68 1rd3 s ILE 82 Cb -0.06 -2.36 -0.02 0.00 0.13 0.00 0.00 42.46 40.15 1rd3 s ILE 82 CO 0.00 0.55 -0.03 -0.55 -1.91 0.00 0.00 174.94 172.99 1rd3 s SER 83 N -0.06 0.28 0.53 4.50 0.15 0.17 -5.00 113.70 114.27 1rd3 s SER 83 Ca -0.01 -0.51 0.01 0.00 0.70 0.00 0.00 55.95 56.14 1rd3 s SER 83 Cb -0.14 0.10 0.03 0.00 -1.71 0.00 0.00 66.02 64.30 1rd3 s SER 83 CO 0.03 -0.30 0.76 -0.04 1.20 0.00 0.00 173.24 174.89 1rd3 s MET 84 N -1.50 2.61 -0.09 5.44 -1.94 -1.26 -0.65 119.30 121.90 1rd3 s MET 84 Ca -0.15 -0.77 0.02 0.00 -1.71 0.00 0.00 55.69 53.08 1rd3 s MET 84 Cb -0.10 -2.51 -0.02 0.00 2.01 0.00 0.00 34.83 34.22 1rd3 s MET 84 CO -0.01 -0.65 -0.15 -0.51 -0.01 0.00 0.00 175.02 173.68 1rd3 s LEU 85 N -4.72 2.62 -0.05 -0.03 1.43 -1.26 -1.31 118.68 115.36 1rd3 s LEU 85 Ca 0.56 -0.31 -0.23 0.00 -1.03 0.00 0.00 54.13 53.13 1rd3 s LEU 85 Cb -0.10 -1.55 -0.27 0.00 0.03 0.00 0.00 46.19 44.29 1rd3 s LEU 85 CO 0.38 0.25 0.95 -0.08 0.23 0.00 0.00 176.35 178.08 1rd3 h GLU 86 N 6.08 0.27 -2.76 1.70 4.81 -0.75 -3.43 114.58 120.50 1rd3 h GLU 86 Ca -0.34 -0.38 -0.06 0.00 -0.13 0.00 0.00 59.36 58.45 1rd3 h GLU 86 Cb 1.19 0.13 -0.16 0.00 0.63 0.00 0.00 28.75 30.53 1rd3 h GLU 86 CO 0.52 1.13 0.04 0.21 -0.73 0.00 0.00 179.01 180.18 1rd3 s LYS 87 N -2.72 1.04 0.12 1.92 2.47 -1.21 -4.89 119.74 116.48 1rd3 s LYS 87 Ca -0.14 -0.23 0.09 0.00 -1.56 0.00 0.00 55.97 54.13 1rd3 s LYS 87 Cb 0.01 0.48 -0.04 0.00 -1.46 0.00 0.00 37.83 36.82 1rd3 s LYS 87 CO 0.80 -0.38 -0.23 0.96 0.16 0.00 0.00 175.35 176.66 1rd3 s ILE 88 N -2.46 1.91 -0.15 5.43 -4.36 -1.26 -1.44 121.20 118.87 1rd3 s ILE 88 Ca -0.05 -1.66 -0.01 0.00 -0.26 0.00 0.00 60.65 58.66 1rd3 s ILE 88 Cb -0.01 -1.74 0.04 0.00 1.25 0.00 0.00 42.46 42.01 1rd3 s ILE 88 CO -0.02 -0.04 -0.02 -0.31 0.24 0.00 0.00 174.94 174.79 1rd3 s TYR 89 N -1.24 1.31 -0.14 1.37 2.02 0.99 -4.98 117.35 116.69 1rd3 s TYR 89 Ca 0.10 -0.83 -0.08 0.00 -0.37 0.00 0.00 57.07 55.89 1rd3 s TYR 89 Cb -0.10 -1.13 -0.04 0.00 -0.40 0.00 0.00 41.96 40.29 1rd3 s TYR 89 CO 0.05 -0.55 0.15 0.42 -1.57 0.00 0.00 175.55 174.04 1rd3 s ILE 90 N 1.76 5.47 0.14 2.71 1.01 -1.26 -0.26 121.20 130.78 1rd3 s ILE 90 Ca 0.01 0.22 -0.34 0.00 0.00 0.00 0.00 60.65 60.55 1rd3 s ILE 90 Cb -0.15 -3.43 -0.14 0.00 0.01 0.00 0.00 42.46 38.76 1rd3 s ILE 90 CO -0.07 0.57 1.59 1.57 0.00 0.00 0.00 174.94 178.61 1rd3 n HIS 91 N 2.35 2.27 0.07 3.97 -0.00 -0.97 -4.87 115.22 118.05 1rd3 n HIS 91 Ca -0.19 0.25 0.11 0.00 -0.00 0.00 0.00 57.72 57.90 1rd3 n HIS 91 Cb 0.54 -2.55 0.58 0.00 -0.00 0.00 0.00 29.99 28.57 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 6.13 0.18 -0.70 1.57 0.13 -1.95 -1.68 132.00 135.69 1rd3 h PRO 92 Ca -0.45 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.53 1rd3 h PRO 92 Cb 1.26 -0.04 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 1rd3 h PRO 92 CO 0.89 0.12 0.18 0.54 -0.23 0.00 0.00 178.00 179.50 1rd3 n ARG 93 N -4.47 4.14 -2.01 0.86 1.74 -1.26 -4.95 116.66 110.71 1rd3 n ARG 93 Ca 0.04 -3.07 -0.42 0.00 -0.77 0.00 0.00 57.85 53.63 1rd3 n ARG 93 Cb 0.28 -2.24 -0.03 0.00 -1.02 0.00 0.00 32.46 29.45 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 -2.88 2.53 -0.40 -1.55 5.04 -0.63 -4.75 117.35 114.70 1rd3 s TYR 94 Ca 0.55 0.45 -0.06 0.00 -2.44 0.00 0.00 57.07 55.56 1rd3 s TYR 94 Cb 0.43 -3.88 0.08 0.00 0.35 0.00 0.00 41.96 38.94 1rd3 s TYR 94 CO 0.14 -3.50 0.20 1.21 -1.34 0.00 0.00 175.55 172.27 1rd3 s ASN 95 N 2.28 5.41 0.02 4.32 2.47 -0.51 -4.94 114.94 123.99 1rd3 s ASN 95 Ca 0.71 -1.61 0.22 0.00 0.42 0.00 0.00 52.86 52.61 1rd3 s ASN 95 Cb -0.37 -1.90 -0.25 0.00 -1.45 0.00 0.00 41.25 37.27 1rd3 s ASN 95 CO 0.31 -0.49 0.63 -2.67 -3.72 0.00 0.00 177.10 171.15 1rd3 n TRP 96 N 4.78 0.20 0.15 0.43 4.27 -1.26 -0.67 117.44 125.33 1rd3 n TRP 96 Ca -0.08 0.06 -0.00 0.00 -3.89 0.00 0.00 57.50 53.58 1rd3 n TRP 96 Cb 0.43 -0.57 0.21 0.00 -1.36 0.00 0.00 31.31 30.02 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 -3.43 114.38 109.36 1rd3 h ARG 97 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1rd3 h ARG 97 Cb 0.97 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 1rd3 h ARG 97 CO 0.00 0.56 -0.67 0.39 -1.07 0.00 0.00 179.97 179.18 1rd3 n GLU 97 N -3.82 0.21 -0.20 0.04 1.02 -1.26 -4.99 120.64 111.63 1rd3 n GLU 97 Ca -0.01 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1rd3 n GLU 97 Cb 0.57 -0.86 0.00 0.00 -0.02 0.00 0.00 31.44 31.13 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 -3.78 0.00 -2.47 1.62 0.23 -1.26 -4.75 115.26 104.85 1rd3 n ASN 98 Ca -0.09 -1.34 -0.21 0.00 -0.53 0.00 0.00 54.58 52.41 1rd3 n ASN 98 Cb 0.30 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.94 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 0.00 -2.11 -4.73 -4.53 4.77 0.15 -4.91 117.00 105.64 1rd3 n LEU 99 Ca 0.00 -0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.48 1rd3 n LEU 99 Cb 0.57 -2.89 -0.03 0.00 -2.33 0.00 0.00 43.42 38.74 1rd3 n LEU 99 CO 0.00 -0.10 1.18 -0.62 -1.33 0.00 0.00 177.39 176.52 1rd3 s ASP 100 N -2.24 6.60 -0.94 -1.43 2.15 -1.12 -2.24 116.67 117.45 1rd3 s ASP 100 Ca 0.07 2.66 -0.06 0.00 0.43 0.00 0.00 52.55 55.65 1rd3 s ASP 100 Cb -0.03 -2.61 0.01 0.00 -0.30 0.00 0.00 42.92 39.99 1rd3 s ASP 100 CO 0.09 -0.78 0.82 0.54 -0.17 0.00 0.00 175.17 175.67 1rd3 n ARG 101 N 3.20 -5.50 -2.39 4.34 1.74 -1.26 -1.43 116.66 115.37 1rd3 n ARG 101 Ca 0.11 0.58 -0.37 0.00 -0.77 0.00 0.00 57.85 57.39 1rd3 n ARG 101 Cb 0.39 -4.85 -0.03 0.00 -1.02 0.00 0.00 32.46 26.95 1rd3 n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1rd3 s ASP 102 N -3.27 6.12 -0.14 0.55 2.15 -0.95 -4.53 116.67 116.61 1rd3 s ASP 102 Ca 0.38 -1.73 -0.22 0.00 0.43 0.00 0.00 52.55 51.41 1rd3 s ASP 102 Cb -0.17 -2.58 0.05 0.00 -0.30 0.00 0.00 42.92 39.93 1rd3 s ASP 102 CO 0.51 -1.89 0.55 -0.51 -0.17 0.00 0.00 175.17 173.66 1rd3 s ILE 103 N 6.70 0.01 0.02 4.11 2.07 -1.26 -3.81 121.20 129.03 1rd3 s ILE 103 Ca 0.57 -0.08 -0.17 0.00 -1.41 0.00 0.00 60.65 59.56 1rd3 s ILE 103 Cb 0.00 -0.82 0.03 0.00 0.13 0.00 0.00 42.46 41.80 1rd3 s ILE 103 CO 0.02 -0.04 0.36 0.00 -1.91 0.00 0.00 174.94 173.37 1rd3 s ALA 104 N -0.36 -0.89 0.05 1.50 0.00 -0.82 -2.29 121.76 118.94 1rd3 s ALA 104 Ca -0.05 0.31 0.07 0.00 0.00 0.00 0.00 51.96 52.28 1rd3 s ALA 104 Cb -0.03 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 1rd3 s ALA 104 CO 0.04 -0.36 -0.16 -0.51 0.00 0.00 0.00 175.76 174.76 1rd3 s LEU 105 N -1.71 2.72 -0.08 0.00 1.43 0.64 -1.29 118.68 120.39 1rd3 s LEU 105 Ca -0.09 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1rd3 s LEU 105 Cb -0.02 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.63 1rd3 s LEU 105 CO 0.01 0.25 -0.11 -0.04 0.23 0.00 0.00 176.35 176.69 1rd3 s MET 106 N -1.56 1.60 -0.21 1.70 -1.94 0.11 -0.01 119.30 119.00 1rd3 s MET 106 Ca 0.16 -0.35 -0.10 0.00 -1.71 0.00 0.00 55.69 53.68 1rd3 s MET 106 Cb -0.11 -1.42 -0.05 0.00 2.01 0.00 0.00 34.83 35.27 1rd3 s MET 106 CO 0.07 -0.05 0.14 0.21 -0.01 0.00 0.00 175.02 175.37 1rd3 s LYS 107 N 0.94 4.15 0.53 2.03 2.20 -0.52 0.32 119.74 129.39 1rd3 s LYS 107 Ca -0.09 -0.23 -0.18 0.00 -0.36 0.00 0.00 55.97 55.10 1rd3 s LYS 107 Cb -0.15 -3.46 -0.07 0.00 -1.51 0.00 0.00 37.83 32.65 1rd3 s LYS 107 CO 0.00 0.22 1.05 -0.51 -0.36 0.00 0.00 175.35 175.76 1rd3 s LEU 108 N 0.58 3.71 0.24 5.43 1.43 0.13 -0.19 118.68 130.01 1rd3 s LEU 108 Ca 0.08 1.89 -0.06 0.00 -1.03 0.00 0.00 54.13 55.01 1rd3 s LEU 108 Cb -0.12 -4.55 0.32 0.00 0.03 0.00 0.00 46.19 41.87 1rd3 s LEU 108 CO 0.00 -0.93 1.85 0.11 0.23 0.00 0.00 176.35 177.61 1rd3 h LYS 109 N 1.11 0.94 -4.19 1.70 1.79 -1.47 -3.38 116.57 113.09 1rd3 h LYS 109 Ca -0.48 -0.06 -0.14 0.00 -2.18 0.00 0.00 60.65 57.79 1rd3 h LYS 109 Cb 1.22 -0.21 -0.17 0.00 -1.58 0.00 0.00 32.23 31.49 1rd3 h LYS 109 CO 0.58 0.62 -0.69 0.15 -1.08 0.00 0.00 179.45 179.04 1rd3 s LYS 110 N -6.07 0.54 0.53 3.15 1.02 -1.26 -4.89 119.74 112.75 1rd3 s LYS 110 Ca -0.13 -1.05 -0.22 0.00 0.02 0.00 0.00 55.97 54.59 1rd3 s LYS 110 Cb 0.18 0.17 -0.05 0.00 -0.52 0.00 0.00 37.83 37.60 1rd3 s LYS 110 CO 0.79 -0.09 1.35 -2.14 -0.92 0.00 0.00 175.35 174.34 1rd3 s PRO 111 N -3.23 3.24 0.17 -1.68 0.02 -1.26 -4.86 135.00 127.40 1rd3 s PRO 111 Ca 0.01 2.22 -0.00 0.00 0.02 0.00 0.00 61.00 63.24 1rd3 s PRO 111 Cb 0.03 -2.31 -0.04 0.00 0.02 0.00 0.00 34.50 32.20 1rd3 s PRO 111 CO -0.07 -1.10 0.35 0.54 -0.33 0.00 0.00 177.00 176.38 1rd3 s VAL 112 N -1.31 5.25 -0.16 3.83 0.11 0.36 -5.01 120.40 123.47 1rd3 s VAL 112 Ca 0.70 -0.38 -0.16 0.00 -2.93 0.00 0.00 61.98 59.21 1rd3 s VAL 112 Cb -0.40 -3.71 -0.04 0.00 -1.53 0.00 0.00 36.38 30.70 1rd3 s VAL 112 CO 0.48 -0.09 0.37 0.00 -3.33 0.00 0.00 175.10 172.53 1rd3 s ALA 113 N -1.77 3.55 0.79 1.54 0.00 -1.26 -4.82 121.76 119.78 1rd3 s ALA 113 Ca 0.38 -0.41 -0.11 0.00 0.00 0.00 0.00 51.96 51.82 1rd3 s ALA 113 Cb -0.11 -2.53 0.07 0.00 0.00 0.00 0.00 23.12 20.54 1rd3 s ALA 113 CO 0.28 -0.06 1.09 -0.06 0.00 0.00 0.00 175.76 177.02 1rd3 s PHE 114 N 0.78 2.51 0.00 0.00 0.08 -1.26 -4.82 117.98 115.27 1rd3 s PHE 114 Ca 0.20 1.53 0.00 0.00 0.12 0.00 0.00 56.93 58.78 1rd3 s PHE 114 Cb -0.14 -3.07 0.00 0.00 -0.57 0.00 0.00 43.02 39.24 1rd3 s PHE 114 CO 0.07 -1.90 0.00 -1.13 -0.10 0.00 0.00 175.22 172.16 1rd3 n SER 115 N -3.59 0.00 0.10 1.36 3.41 0.25 -4.89 113.62 110.26 1rd3 n SER 115 Ca 0.09 -0.63 0.04 0.00 -0.26 0.00 0.00 58.87 58.11 1rd3 n SER 115 Cb 0.53 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.92 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 0.28 -0.07 4.04 3.32 -1.99 -3.07 116.42 118.93 1rd3 h ASP 116 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1rd3 h ASP 116 Cb 0.00 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1rd3 h ASP 116 CO 0.00 0.31 0.00 -1.22 -1.72 0.00 0.00 179.24 176.61 1rd3 n TYR 117 N -4.38 0.06 -3.63 4.55 4.01 -1.26 -4.72 117.16 111.78 1rd3 n TYR 117 Ca 0.00 -0.04 -0.24 0.00 -0.16 0.00 0.00 57.90 57.46 1rd3 n TYR 117 Cb 0.17 -0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.03 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 -1.57 -0.09 -0.12 -0.72 1.01 -1.16 -4.18 121.20 114.37 1rd3 s ILE 118 Ca 0.24 0.01 -0.14 0.00 0.00 0.00 0.00 60.65 60.76 1rd3 s ILE 118 Cb 0.16 -0.45 0.04 0.00 0.01 0.00 0.00 42.46 42.22 1rd3 s ILE 118 CO 0.24 -0.14 0.38 -2.28 0.00 0.00 0.00 174.94 173.15 1rd3 s HIS 119 N 2.15 -0.39 0.43 3.97 2.46 -0.36 -0.58 115.29 122.96 1rd3 s HIS 119 Ca 0.03 0.91 -0.22 0.00 0.47 0.00 0.00 55.06 56.25 1rd3 s HIS 119 Cb -0.15 0.14 -0.10 0.00 -0.13 0.00 0.00 32.58 32.35 1rd3 s HIS 119 CO -0.07 -0.25 0.98 -1.25 -2.47 0.00 0.00 174.74 171.68 1rd3 s PRO 120 N -0.11 4.15 0.33 2.88 0.04 -1.26 -2.53 135.00 138.49 1rd3 s PRO 120 Ca -0.03 1.24 0.01 0.00 0.04 0.00 0.00 61.00 62.26 1rd3 s PRO 120 Cb -0.03 -2.25 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 1rd3 s PRO 120 CO 0.01 -0.12 0.52 0.54 0.04 0.00 0.00 177.00 178.00 1rd3 s VAL 121 N -2.03 5.11 0.52 -0.36 0.11 -0.66 -4.94 120.40 118.15 1rd3 s VAL 121 Ca 0.62 -0.56 -0.05 0.00 -2.93 0.00 0.00 61.98 59.06 1rd3 s VAL 121 Cb -0.13 -3.85 -0.02 0.00 -1.53 0.00 0.00 36.38 30.85 1rd3 s VAL 121 CO 0.17 -0.51 0.82 0.00 -3.33 0.00 0.00 175.10 172.25 1rd3 s LEU 123 N -4.83 3.22 0.77 0.00 1.43 -1.26 -1.11 118.68 116.90 1rd3 s LEU 123 Ca 0.50 -0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 53.31 1rd3 s LEU 123 Cb -0.10 -1.78 0.06 0.00 0.03 0.00 0.00 46.19 44.40 1rd3 s LEU 123 CO 0.45 0.16 1.19 -2.16 0.23 0.00 0.00 176.35 176.21 1rd3 s PRO 124 N 0.42 1.90 0.54 1.29 0.04 -1.26 -4.94 135.00 132.99 1rd3 s PRO 124 Ca -0.04 1.68 0.06 0.00 0.04 0.00 0.00 61.00 62.74 1rd3 s PRO 124 Cb -0.14 -1.81 0.06 0.00 0.04 0.00 0.00 34.50 32.64 1rd3 s PRO 124 CO 0.03 -2.00 0.46 -0.40 0.04 0.00 0.00 177.00 175.13 1rd3 n ASP 125 N -3.09 2.62 -0.11 6.66 5.68 -1.26 -4.85 116.55 122.19 1rd3 n ASP 125 Ca 0.13 -2.79 -0.05 0.00 -0.50 0.00 0.00 54.79 51.57 1rd3 n ASP 125 Cb 0.51 -0.10 0.01 0.00 -1.14 0.00 0.00 41.12 40.40 1rd3 n ASP 125 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1rd3 h ARG 126 N 0.00 0.04 -0.08 0.11 2.43 -1.97 -2.96 114.38 111.96 1rd3 h ARG 126 Ca -0.33 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1rd3 h ARG 126 Cb 1.24 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1rd3 h ARG 126 CO 0.51 0.03 0.05 1.05 -1.51 0.00 0.00 179.97 180.10 1rd3 h GLU 127 N 0.04 0.11 -0.35 0.20 9.09 -2.03 -1.39 114.58 120.24 1rd3 h GLU 127 Ca 0.18 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.58 1rd3 h GLU 127 Cb 0.27 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.35 1rd3 h GLU 127 CO -0.35 0.08 0.00 2.41 0.05 0.00 0.00 179.01 181.20 1rd3 n THR 128 N -5.03 0.00 0.00 -1.06 -1.04 -1.12 -0.29 114.28 105.74 1rd3 n THR 128 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1rd3 n THR 128 Cb 0.03 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.46 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 0.54 0.00 0.06 2.41 0.00 -0.53 -0.51 120.51 122.48 1rd3 n ALA 129 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1rd3 n ALA 129 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 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 0.21 0.00 0.00 0.87 -0.90 -3.41 113.55 110.32 1rd3 h SER 129 Ca 0.00 -0.26 -0.25 0.00 -1.23 0.00 0.00 61.79 60.04 1rd3 h SER 129 Cb 0.00 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 61.84 1rd3 h SER 129 CO 0.00 1.21 -2.02 0.18 -0.53 0.00 0.00 176.83 175.68 1rd3 n LEU 129 N -3.37 0.00 -4.21 2.23 4.77 0.33 -4.76 117.00 111.99 1rd3 n LEU 129 Ca -0.09 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.47 1rd3 n LEU 129 Cb 1.01 0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 42.43 1rd3 n LEU 129 CO 0.49 0.34 2.20 0.18 -1.33 0.00 0.00 177.39 179.27 1rd3 n LEU 130 N -2.52 5.40 -3.93 2.23 7.99 -1.26 -4.81 117.00 120.09 1rd3 n LEU 130 Ca -0.23 -3.86 -0.16 0.00 -0.01 0.00 0.00 56.01 51.76 1rd3 n LEU 130 Cb 0.95 -1.67 -0.15 0.00 -0.11 0.00 0.00 43.42 42.44 1rd3 n LEU 130 CO 0.32 0.28 -0.39 -1.10 -1.51 0.00 0.00 177.39 174.99 1rd3 s GLN 131 N 4.12 0.37 0.20 3.23 -0.21 -1.26 -4.91 119.66 121.20 1rd3 s GLN 131 Ca 0.53 -0.13 -0.31 0.00 0.02 0.00 0.00 55.36 55.47 1rd3 s GLN 131 Cb 0.08 -0.38 -0.16 0.00 1.00 0.00 0.00 33.01 33.55 1rd3 s GLN 131 CO 0.03 0.06 0.98 0.00 -2.12 0.00 0.00 175.29 174.24 1rd3 n ALA 132 N 3.13 -1.31 0.00 6.09 0.00 -1.26 -1.18 120.51 125.98 1rd3 n ALA 132 Ca -0.15 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1rd3 n ALA 132 Cb 0.57 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 1.76 2.70 3.76 0.00 0.00 0.11 -4.91 105.19 108.61 1rd3 n GLY 133 Ca 0.15 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.35 2.99 0.06 1.61 1.51 -0.33 -4.52 117.35 117.32 1rd3 s TYR 134 Ca 0.00 1.26 -0.02 0.00 -1.01 0.00 0.00 57.07 57.30 1rd3 s TYR 134 Cb 0.00 -3.76 -0.04 0.00 -0.11 0.00 0.00 41.96 38.04 1rd3 s TYR 134 CO 0.00 -2.24 0.25 0.15 -1.11 0.00 0.00 175.55 172.59 1rd3 s LYS 135 N -1.35 3.49 0.41 -0.62 1.02 -1.26 -0.12 119.74 121.31 1rd3 s LYS 135 Ca 0.53 -0.31 0.04 0.00 0.02 0.00 0.00 55.97 56.24 1rd3 s LYS 135 Cb -0.41 -3.01 -0.04 0.00 -0.52 0.00 0.00 37.83 33.85 1rd3 s LYS 135 CO 0.51 0.59 0.06 0.20 -0.92 0.00 0.00 175.35 175.79 1rd3 s GLY 136 N -2.32 2.56 -0.01 -3.33 0.00 0.84 -4.86 107.32 100.19 1rd3 s GLY 136 Ca 0.34 -1.40 0.07 0.00 0.00 0.00 0.00 44.72 43.73 1rd3 s GLY 136 CO 0.25 -1.96 -0.23 -1.60 0.00 0.00 0.00 173.10 169.55 1rd3 s ARG 137 N -3.80 2.15 -0.03 2.90 3.52 0.22 -0.78 118.95 123.13 1rd3 s ARG 137 Ca 0.24 -0.91 0.05 0.00 -0.13 0.00 0.00 55.73 54.98 1rd3 s ARG 137 Cb 0.05 -2.11 -0.01 0.00 -1.56 0.00 0.00 34.95 31.32 1rd3 s ARG 137 CO 0.12 0.57 -0.18 0.08 -0.81 0.00 0.00 175.30 175.08 1rd3 s VAL 138 N -0.68 1.44 0.03 7.11 1.01 0.74 -0.68 120.40 129.36 1rd3 s VAL 138 Ca 0.11 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1rd3 s VAL 138 Cb -0.10 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1rd3 s VAL 138 CO 0.00 0.41 -0.09 0.42 0.00 0.00 0.00 175.10 175.84 1rd3 s THR 139 N -0.19 0.68 0.00 3.92 -4.23 -1.25 -0.32 115.64 114.25 1rd3 s THR 139 Ca 0.01 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 1rd3 s THR 139 Cb -0.09 -0.67 0.00 0.00 1.34 0.00 0.00 72.50 73.08 1rd3 s THR 139 CO 0.01 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 1rd3 n GLY 140 N 1.93 0.52 1.47 3.99 0.00 -0.70 -4.48 105.19 107.92 1rd3 n GLY 140 Ca -0.19 -0.93 -0.04 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.27 1.70 -0.80 1.61 7.02 -1.26 -2.13 117.44 123.31 1rd3 n TRP 141 Ca 0.00 -1.32 -0.30 0.00 -1.02 0.00 0.00 57.50 54.86 1rd3 n TRP 141 Cb 0.00 -0.56 0.25 0.00 -2.42 0.00 0.00 31.31 28.58 1rd3 n TRP 141 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1rd3 s GLY 142 N -1.78 1.52 0.71 6.99 0.00 -1.25 -4.72 107.32 108.79 1rd3 s GLY 142 Ca 0.49 -0.74 -0.15 0.00 0.00 0.00 0.00 44.72 44.31 1rd3 s GLY 142 CO 0.08 0.13 1.18 0.21 0.00 0.00 0.00 173.10 174.70 1rd3 s ASN 143 N -3.43 4.46 0.20 1.64 2.47 -1.26 -3.32 114.94 115.69 1rd3 s ASN 143 Ca 0.69 2.26 0.24 0.00 0.42 0.00 0.00 52.86 56.47 1rd3 s ASN 143 Cb -0.14 -2.58 0.26 0.00 -1.45 0.00 0.00 41.25 37.34 1rd3 s ASN 143 CO 0.58 -2.08 1.30 -0.07 -3.72 0.00 0.00 177.10 173.11 1rd3 h LEU 144 N -0.17 0.00 -8.27 3.21 3.38 -0.92 -2.30 115.31 110.24 1rd3 h LEU 144 Ca -0.47 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.26 1rd3 h LEU 144 Cb 1.28 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 1rd3 h LEU 144 CO 0.51 0.05 0.01 -1.59 0.09 0.00 0.00 178.44 177.50 1rd3 s LYS 145 N -3.23 1.96 -0.08 1.13 -2.85 -1.26 -4.29 119.74 111.11 1rd3 s LYS 145 Ca 0.04 -1.52 -0.19 0.00 -1.00 0.00 0.00 55.97 53.31 1rd3 s LYS 145 Cb 0.11 0.52 -0.09 0.00 -2.06 0.00 0.00 37.83 36.31 1rd3 s LYS 145 CO 0.73 -0.86 0.56 -1.91 0.10 0.00 0.00 175.35 173.97 1rd3 n GLU 146 N -0.52 0.00 -0.17 1.78 0.00 -1.26 -4.82 120.64 115.65 1rd3 n GLU 146 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.17 1rd3 n GLU 146 Cb 0.61 -0.66 0.06 0.00 0.00 0.00 0.00 31.44 31.45 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 1.07 0.96 0.86 6.31 -2.24 -0.14 -4.75 114.28 116.35 1rd3 n THR 147 Ca 0.11 -1.12 0.12 0.00 -2.27 0.00 0.00 64.05 60.89 1rd3 n THR 147 Cb 0.01 0.25 0.28 0.00 -2.10 0.00 0.00 70.33 68.77 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 -0.69 0.18 -1.73 4.78 4.27 -1.22 -4.87 117.44 118.15 1rd3 n TRP 147 Ca 0.07 0.05 0.00 0.00 -3.89 0.00 0.00 57.50 53.73 1rd3 n TRP 147 Cb 0.57 -0.42 0.00 0.00 -1.36 0.00 0.00 31.31 30.11 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 -1.70 0.00 -1.67 -1.67 -2.24 -1.26 -5.02 114.28 100.72 1rd3 n THR 147 Ca 0.05 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.53 1rd3 n THR 147 Cb 0.37 -1.40 0.08 0.00 -2.10 0.00 0.00 70.33 67.27 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 -2.80 2.47 0.23 6.98 0.00 -1.26 -4.93 121.76 122.45 1rd3 s ALA 147 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1rd3 s ALA 147 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1rd3 s ALA 147 CO 0.00 -1.53 0.00 -1.71 0.00 0.00 0.00 175.76 172.52 1rd3 n ASN 147 N -3.29 -4.35 -0.02 0.00 5.15 -1.26 -4.95 115.26 106.53 1rd3 n ASN 147 Ca 0.07 0.56 0.02 0.00 -0.60 0.00 0.00 54.58 54.63 1rd3 n ASN 147 Cb 0.57 -1.58 -0.08 0.00 -0.53 0.00 0.00 39.78 38.16 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 -0.99 0.22 0.00 3.44 0.31 -1.26 -4.84 118.33 115.21 1rd3 n VAL 147 Ca 0.00 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1rd3 n VAL 147 Cb 0.01 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 1rd3 n VAL 147 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rd3 n GLY 148 N 2.07 -3.31 3.56 2.92 0.00 -1.26 -4.68 105.19 104.49 1rd3 n GLY 148 Ca -0.06 0.62 -0.30 0.00 0.00 0.00 0.00 46.02 46.27 1rd3 n GLY 148 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1rd3 n LYS 149 N -2.11 -1.17 -0.71 1.61 0.00 -1.26 -4.06 118.16 110.47 1rd3 n LYS 149 Ca 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 58.31 58.02 1rd3 n LYS 149 Cb 0.00 -2.23 0.00 0.00 -0.00 0.00 0.00 35.03 32.80 1rd3 n LYS 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1rd3 n GLY 150 N 0.71 0.68 3.62 2.58 0.00 -1.26 -4.97 105.19 106.54 1rd3 n GLY 150 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.29 4.04 0.26 1.61 -0.21 -1.26 -0.50 119.66 123.31 1rd3 s GLN 151 Ca 0.00 0.07 -0.30 0.00 0.02 0.00 0.00 55.36 55.15 1rd3 s GLN 151 Cb 0.00 -3.63 -0.10 0.00 1.00 0.00 0.00 33.01 30.28 1rd3 s GLN 151 CO 0.00 -0.23 1.35 -1.25 -2.12 0.00 0.00 175.29 173.04 1rd3 s PRO 152 N 1.93 4.34 0.11 2.91 0.04 -1.26 -4.95 135.00 138.12 1rd3 s PRO 152 Ca 0.16 2.19 -0.03 0.00 0.04 0.00 0.00 61.00 63.36 1rd3 s PRO 152 Cb -0.16 -3.13 -0.17 0.00 0.04 0.00 0.00 34.50 31.09 1rd3 s PRO 152 CO 0.09 -0.28 1.24 0.66 0.04 0.00 0.00 177.00 178.75 1rd3 h SER 153 N 4.59 0.41 -3.70 6.66 4.64 -1.96 -3.45 113.55 120.73 1rd3 h SER 153 Ca -0.47 -0.38 -0.60 0.00 -0.47 0.00 0.00 61.79 59.87 1rd3 h SER 153 Cb 1.22 -0.13 -0.20 0.00 -0.31 0.00 0.00 62.40 62.98 1rd3 h SER 153 CO 0.73 1.24 -0.82 0.68 -0.87 0.00 0.00 176.83 177.79 1rd3 s VAL 154 N -2.94 2.03 0.12 0.95 -7.23 -1.26 0.28 120.40 112.35 1rd3 s VAL 154 Ca -0.04 -1.81 -0.35 0.00 -1.81 0.00 0.00 61.98 57.97 1rd3 s VAL 154 Cb 0.08 -1.88 -0.16 0.00 0.56 0.00 0.00 36.38 34.98 1rd3 s VAL 154 CO 0.87 -0.11 1.23 -0.11 -0.31 0.00 0.00 175.10 176.67 1rd3 n LEU 155 N 0.63 1.45 -4.94 1.32 7.94 -0.62 -4.81 117.00 117.97 1rd3 n LEU 155 Ca -0.16 1.13 -0.25 0.00 -1.11 0.00 0.00 56.01 55.62 1rd3 n LEU 155 Cb 0.55 -1.18 -0.03 0.00 0.53 0.00 0.00 43.42 43.29 1rd3 n LEU 155 CO 0.26 -1.24 -0.09 -1.10 -1.11 0.00 0.00 177.39 174.10 1rd3 s GLN 156 N 0.03 3.41 0.03 1.96 -1.52 -0.90 -0.67 119.66 121.99 1rd3 s GLN 156 Ca 0.79 -0.64 0.01 0.00 -1.95 0.00 0.00 55.36 53.57 1rd3 s GLN 156 Cb -0.92 -2.94 -0.02 0.00 -0.22 0.00 0.00 33.01 28.91 1rd3 s GLN 156 CO 0.50 0.51 -0.04 0.54 -0.25 0.00 0.00 175.29 176.54 1rd3 s VAL 157 N -1.78 0.22 -0.25 1.09 0.11 0.40 -1.71 120.40 118.49 1rd3 s VAL 157 Ca 0.34 -0.96 -0.21 0.00 -2.93 0.00 0.00 61.98 58.22 1rd3 s VAL 157 Cb -0.11 -0.36 0.07 0.00 -1.53 0.00 0.00 36.38 34.44 1rd3 s VAL 157 CO 0.28 -0.48 0.65 0.54 -3.33 0.00 0.00 175.10 172.76 1rd3 s VAL 158 N -1.47 -0.00 -0.24 2.04 0.11 0.56 -1.61 120.40 119.78 1rd3 s VAL 158 Ca -0.14 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.80 1rd3 s VAL 158 Cb -0.10 -0.90 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 1rd3 s VAL 158 CO -0.01 0.00 0.18 0.20 -3.33 0.00 0.00 175.10 172.14 1rd3 s ASN 159 N 0.54 6.12 0.03 3.54 0.01 -1.26 -0.19 114.94 123.73 1rd3 s ASN 159 Ca -0.02 0.11 0.07 0.00 -0.71 0.00 0.00 52.86 52.32 1rd3 s ASN 159 Cb -0.05 -2.11 -0.02 0.00 0.41 0.00 0.00 41.25 39.48 1rd3 s ASN 159 CO -0.02 0.04 -0.21 -0.76 -1.51 0.00 0.00 177.10 174.64 1rd3 s LEU 160 N 1.19 2.14 0.25 0.60 1.43 0.04 -4.92 118.68 119.41 1rd3 s LEU 160 Ca 0.08 -0.50 -0.23 0.00 -1.03 0.00 0.00 54.13 52.46 1rd3 s LEU 160 Cb -0.14 -1.02 -0.09 0.00 0.03 0.00 0.00 46.19 44.98 1rd3 s LEU 160 CO 0.06 0.19 0.81 -2.16 0.23 0.00 0.00 176.35 175.48 1rd3 s PRO 161 N -1.04 4.42 0.31 1.29 0.04 -1.26 -0.11 135.00 138.65 1rd3 s PRO 161 Ca 0.08 1.08 -0.28 0.00 0.04 0.00 0.00 61.00 61.92 1rd3 s PRO 161 Cb -0.09 -2.90 -0.09 0.00 0.04 0.00 0.00 34.50 31.46 1rd3 s PRO 161 CO 0.01 0.37 1.11 0.42 0.04 0.00 0.00 177.00 178.95 1rd3 s ILE 162 N -1.51 3.45 -0.05 0.56 1.01 0.83 -1.42 121.20 124.08 1rd3 s ILE 162 Ca 0.45 1.38 -0.01 0.00 0.00 0.00 0.00 60.65 62.47 1rd3 s ILE 162 Cb -0.18 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1rd3 s ILE 162 CO 0.23 0.27 0.00 -0.69 0.00 0.00 0.00 174.94 174.75 1rd3 s VAL 163 N -1.27 4.26 0.23 2.92 1.01 -0.52 -0.72 120.40 126.32 1rd3 s VAL 163 Ca 0.48 -0.38 -0.31 0.00 0.00 0.00 0.00 61.98 61.77 1rd3 s VAL 163 Cb -0.31 -2.83 -0.11 0.00 0.00 0.00 0.00 36.38 33.13 1rd3 s VAL 163 CO 0.39 0.52 1.62 -1.61 0.00 0.00 0.00 175.10 176.02 1rd3 s GLU 164 N -1.15 4.16 0.23 2.72 2.02 -1.26 -4.44 118.70 120.98 1rd3 s GLU 164 Ca 0.16 2.51 -0.13 0.00 0.02 0.00 0.00 54.97 57.53 1rd3 s GLU 164 Cb -0.11 -3.08 0.28 0.00 0.10 0.00 0.00 34.13 31.32 1rd3 s GLU 164 CO 0.06 -0.65 1.60 -0.09 0.02 0.00 0.00 175.26 176.20 1rd3 h ARG 165 N 6.05 -0.02 -0.90 1.61 2.43 -1.98 0.17 114.38 121.74 1rd3 h ARG 165 Ca -0.44 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1rd3 h ARG 165 Cb 1.21 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.72 1rd3 h ARG 165 CO 0.88 -0.01 0.54 -1.35 -1.51 0.00 0.00 179.97 178.52 1rd3 h PRO 166 N -0.02 1.22 -0.42 0.20 0.11 -1.99 0.17 132.00 131.27 1rd3 h PRO 166 Ca 0.35 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 1rd3 h PRO 166 Cb 0.55 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 1rd3 h PRO 166 CO -0.77 0.86 0.23 0.28 -0.21 0.00 0.00 178.00 178.39 1rd3 h VAL 167 N 1.24 1.15 -0.05 3.15 2.07 -1.41 -1.82 116.25 120.58 1rd3 h VAL 167 Ca 0.32 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1rd3 h VAL 167 Cb -0.05 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1rd3 h VAL 167 CO -0.06 0.16 0.02 0.00 0.02 0.00 0.00 177.57 177.71 1rd3 h LYS 169 N 0.05 0.02 0.00 0.00 1.57 -0.76 -0.14 116.57 117.30 1rd3 h LYS 169 Ca 0.02 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1rd3 h LYS 169 Cb 0.00 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1rd3 h LYS 169 CO -0.01 0.01 -0.08 -0.44 -0.57 0.00 0.00 179.45 178.36 1rd3 h ASP 170 N 0.02 0.00 0.18 0.86 3.32 -0.67 -3.07 116.42 117.06 1rd3 h ASP 170 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1rd3 h ASP 170 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1rd3 h ASP 170 CO -0.00 0.08 -0.66 -1.54 -1.72 0.00 0.00 179.24 175.39 1rd3 n SER 171 N -3.42 1.03 -4.22 6.45 3.41 -0.07 -4.99 113.62 111.80 1rd3 n SER 171 Ca -0.01 -0.85 -0.13 0.00 -0.26 0.00 0.00 58.87 57.62 1rd3 n SER 171 Cb 0.23 0.57 -0.10 0.00 -0.26 0.00 0.00 64.21 64.65 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 -2.85 0.65 -1.06 6.66 -1.32 -1.16 -4.70 115.64 111.86 1rd3 s THR 172 Ca 0.13 -1.97 0.10 0.00 -1.21 0.00 0.00 61.69 58.74 1rd3 s THR 172 Cb 0.17 -2.02 0.16 0.00 -1.51 0.00 0.00 72.50 69.31 1rd3 s THR 172 CO 0.72 -0.56 0.99 -2.11 -2.21 0.00 0.00 174.62 171.45 1rd3 n ARG 173 N -0.19 1.43 -2.99 7.08 1.85 -1.26 -4.88 116.66 117.69 1rd3 n ARG 173 Ca -0.08 -1.47 -0.40 0.00 -1.00 0.00 0.00 57.85 54.91 1rd3 n ARG 173 Cb 0.63 -1.21 -0.06 0.00 -1.05 0.00 0.00 32.46 30.77 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 -0.90 4.51 -0.81 8.89 1.09 -1.26 -4.97 121.20 127.76 1rd3 s ILE 174 Ca 0.15 1.66 -0.25 0.00 -1.10 0.00 0.00 60.65 61.11 1rd3 s ILE 174 Cb 0.09 -4.12 -0.02 0.00 -1.06 0.00 0.00 42.46 37.35 1rd3 s ILE 174 CO 0.13 0.47 1.83 -0.60 -0.10 0.00 0.00 174.94 176.67 1rd3 s ARG 175 N -0.75 2.71 0.13 2.79 3.52 -1.26 -4.95 118.95 121.14 1rd3 s ARG 175 Ca 0.36 -0.06 -0.30 0.00 -0.13 0.00 0.00 55.73 55.60 1rd3 s ARG 175 Cb -0.22 -4.81 -0.07 0.00 -1.56 0.00 0.00 34.95 28.29 1rd3 s ARG 175 CO 0.25 -2.98 1.25 0.42 -0.81 0.00 0.00 175.30 173.43 1rd3 s ILE 176 N 9.02 3.62 0.45 4.11 1.01 -1.26 -4.81 121.20 133.34 1rd3 s ILE 176 Ca 0.65 1.25 0.08 0.00 0.00 0.00 0.00 60.65 62.62 1rd3 s ILE 176 Cb -0.08 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.59 1rd3 s ILE 176 CO 0.07 0.14 0.45 0.42 0.00 0.00 0.00 174.94 176.02 1rd3 s THR 177 N 0.58 2.53 -1.91 2.92 -4.23 -1.26 -4.99 115.64 109.28 1rd3 s THR 177 Ca 0.58 -1.28 0.24 0.00 -1.18 0.00 0.00 61.69 60.05 1rd3 s THR 177 Cb -0.33 -2.81 0.65 0.00 1.34 0.00 0.00 72.50 71.35 1rd3 s THR 177 CO 0.33 0.00 1.81 0.47 -0.54 0.00 0.00 174.62 176.69 1rd3 n ASP 178 N -1.69 0.00 -1.56 3.99 8.00 -1.26 -2.37 116.55 121.67 1rd3 n ASP 178 Ca 0.05 -0.65 0.06 0.00 0.71 0.00 0.00 54.79 54.96 1rd3 n ASP 178 Cb 0.62 -0.05 0.31 0.00 -0.02 0.00 0.00 41.12 41.98 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 -1.05 4.60 -3.61 -2.24 3.02 -1.26 -4.90 115.26 109.83 1rd3 n ASN 179 Ca 0.17 -2.68 -0.11 0.00 -0.03 0.00 0.00 54.58 51.93 1rd3 n ASN 179 Cb 0.10 -0.63 -0.04 0.00 -0.61 0.00 0.00 39.78 38.60 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 -2.31 1.17 0.24 3.52 0.23 -1.00 -0.93 119.30 120.23 1rd3 s MET 180 Ca 0.42 -0.68 -0.02 0.00 -1.03 0.00 0.00 55.69 54.37 1rd3 s MET 180 Cb 0.32 0.51 -0.03 0.00 -1.53 0.00 0.00 34.83 34.09 1rd3 s MET 180 CO 0.13 -0.48 0.25 -0.59 -2.03 0.00 0.00 175.02 172.30 1rd3 s PHE 181 N -3.81 1.08 0.33 3.16 -0.12 -0.44 -4.78 117.98 113.40 1rd3 s PHE 181 Ca 0.04 -1.29 0.08 0.00 -0.05 0.00 0.00 56.93 55.71 1rd3 s PHE 181 Cb 0.01 -0.39 -0.06 0.00 -0.63 0.00 0.00 43.02 41.94 1rd3 s PHE 181 CO -0.10 -0.79 -0.07 0.00 -0.05 0.00 0.00 175.22 174.20 1rd3 s ALA 183 N -2.76 -1.47 0.00 0.00 0.00 -1.11 -1.43 121.76 114.99 1rd3 s ALA 183 Ca 0.32 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1rd3 s ALA 183 Cb 0.03 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1rd3 s ALA 183 CO 0.15 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1rd3 n GLY 184 N 0.70 3.38 3.96 0.00 0.00 -0.51 -1.50 105.19 111.23 1rd3 n GLY 184 Ca -0.19 -1.29 -0.22 0.00 0.00 0.00 0.00 46.02 44.31 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 3.28 0.37 1.61 2.02 -1.26 -4.44 117.35 116.93 1rd3 s TYR 184 Ca 0.00 0.18 -0.23 0.00 -0.37 0.00 0.00 57.07 56.65 1rd3 s TYR 184 Cb 0.00 -2.15 -0.10 0.00 -0.40 0.00 0.00 41.96 39.31 1rd3 s TYR 184 CO 0.00 -0.17 0.94 -1.59 -1.57 0.00 0.00 175.55 173.15 1rd3 s LYS 185 N -4.43 4.39 0.55 -0.62 0.00 -1.26 -4.92 119.74 113.46 1rd3 s LYS 185 Ca 0.45 1.20 0.24 0.00 0.00 0.00 0.00 55.97 57.86 1rd3 s LYS 185 Cb -0.10 -2.50 1.48 0.00 0.00 0.00 0.00 37.83 36.72 1rd3 s LYS 185 CO 0.36 0.13 2.12 -1.00 0.00 0.00 0.00 175.35 176.96 1rd3 h PRO 186 N 2.56 0.00 -2.01 1.78 0.13 -1.95 -1.06 132.00 131.45 1rd3 h PRO 186 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1rd3 h PRO 186 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1rd3 h PRO 186 CO 0.63 0.00 -0.02 -0.40 -0.23 0.00 0.00 178.00 177.98 1rd3 n ASP 186 N -4.20 4.47 -4.75 1.44 5.68 -1.26 -4.87 116.55 113.05 1rd3 n ASP 186 Ca 0.01 -2.19 -0.37 0.00 -0.50 0.00 0.00 54.79 51.74 1rd3 n ASP 186 Cb 0.27 -0.96 0.03 0.00 -1.14 0.00 0.00 41.12 39.32 1rd3 n ASP 186 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1rd3 s GLU 186 N 0.40 3.16 0.00 0.11 0.41 -0.40 -4.88 118.70 117.49 1rd3 s GLU 186 Ca 0.04 1.98 0.03 0.00 -0.41 0.00 0.00 54.97 56.61 1rd3 s GLU 186 Cb 0.02 -2.14 -0.02 0.00 -1.78 0.00 0.00 34.13 30.21 1rd3 s GLU 186 CO 0.00 -1.10 0.19 0.41 -0.49 0.00 0.00 175.26 174.27 1rd3 n GLY 186 N 0.61 0.41 2.77 -1.39 0.00 -1.26 -4.89 105.19 101.44 1rd3 n GLY 186 Ca 0.11 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 1rd3 n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rd3 s LYS 186 N -1.07 0.67 0.49 1.61 -0.14 -1.26 -5.15 119.74 114.89 1rd3 s LYS 186 Ca 0.01 -0.05 0.08 0.00 -1.36 0.00 0.00 55.97 54.65 1rd3 s LYS 186 Cb 0.02 -1.31 0.02 0.00 -1.68 0.00 0.00 37.83 34.88 1rd3 s LYS 186 CO 0.09 -0.39 0.50 -0.98 -0.76 0.00 0.00 175.35 173.81 1rd3 s ARG 187 N 1.93 2.44 0.00 1.68 3.03 -1.26 -4.79 118.95 121.98 1rd3 s ARG 187 Ca 0.03 -1.65 0.00 0.00 2.03 0.00 0.00 55.73 56.14 1rd3 s ARG 187 Cb -0.14 -2.41 0.00 0.00 -1.03 0.00 0.00 34.95 31.37 1rd3 s ARG 187 CO -0.06 -0.47 0.00 0.41 -1.13 0.00 0.00 175.30 174.05 1rd3 n GLY 188 N -1.80 4.10 3.60 3.88 0.00 -1.26 -4.92 105.19 108.78 1rd3 n GLY 188 Ca 0.05 -1.11 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.41 0.21 1.61 -1.08 -0.61 -4.57 116.67 111.82 1rd3 s ASP 189 Ca 0.00 -0.22 -0.05 0.00 -0.52 0.00 0.00 52.55 51.76 1rd3 s ASP 189 Cb 0.00 0.59 -0.05 0.00 -1.46 0.00 0.00 42.92 42.00 1rd3 s ASP 189 CO 0.00 -1.02 0.46 0.00 0.52 0.00 0.00 175.17 175.14 1rd3 s ALA 190 N -3.65 3.71 0.53 3.66 0.00 -1.26 -0.79 121.76 123.95 1rd3 s ALA 190 Ca 0.06 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.49 1rd3 s ALA 190 Cb -0.02 -2.21 0.03 0.00 0.00 0.00 0.00 23.12 20.92 1rd3 s ALA 190 CO -0.05 0.47 0.29 0.00 0.00 0.00 0.00 175.76 176.47 1rd3 h GLU 192 N 0.00 0.95 0.00 0.00 4.57 -1.93 -1.94 114.58 116.23 1rd3 h GLU 192 Ca -0.36 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1rd3 h GLU 192 Cb 1.24 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.63 1rd3 h GLU 192 CO 0.58 0.67 0.00 0.78 -1.18 0.00 0.00 179.01 179.86 1rd3 h GLY 193 N 1.00 0.00 -0.70 1.92 0.00 -1.91 -2.03 103.07 101.36 1rd3 h GLY 193 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1rd3 h GLY 193 CO -0.05 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.71 1rd3 n ASP 194 N -2.38 1.70 -4.61 0.19 8.00 -0.73 -3.82 116.55 114.90 1rd3 n ASP 194 Ca 0.00 -1.59 -0.45 0.00 0.71 0.00 0.00 54.79 53.47 1rd3 n ASP 194 Cb 0.14 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.21 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 0.33 1.62 0.00 -2.24 7.64 -0.76 -1.44 113.62 118.77 1rd3 n SER 195 Ca 0.18 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.24 1rd3 n SER 195 Cb 0.38 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 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 1.27 2.93 3.74 0.23 0.00 -0.10 0.33 105.19 113.59 1rd3 n GLY 196 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 1.62 0.37 -0.02 0.00 -0.52 -2.86 107.32 103.92 1rd3 s GLY 197 Ca 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 44.72 44.51 1rd3 s GLY 197 CO 0.00 0.38 0.76 2.56 0.00 0.00 0.00 173.10 176.80 1rd3 s PRO 198 N -4.98 3.87 -0.32 2.90 0.04 -1.26 -1.27 135.00 133.98 1rd3 s PRO 198 Ca 0.63 0.56 0.03 0.00 0.04 0.00 0.00 61.00 62.25 1rd3 s PRO 198 Cb -0.17 -2.40 0.09 0.00 0.04 0.00 0.00 34.50 32.05 1rd3 s PRO 198 CO 0.56 0.04 0.01 0.12 0.04 0.00 0.00 177.00 177.77 1rd3 s PHE 199 N -2.22 3.58 0.17 0.56 2.19 -0.40 -3.77 117.98 118.09 1rd3 s PHE 199 Ca 0.52 -2.71 0.07 0.00 0.33 0.00 0.00 56.93 55.14 1rd3 s PHE 199 Cb -0.10 -2.59 -0.04 0.00 -1.31 0.00 0.00 43.02 38.97 1rd3 s PHE 199 CO 0.26 -0.92 0.02 0.14 1.83 0.00 0.00 175.22 176.54 1rd3 s VAL 200 N 0.99 3.86 -0.01 3.12 -7.23 0.15 -0.56 120.40 120.72 1rd3 s VAL 200 Ca 0.04 -1.35 0.01 0.00 -1.81 0.00 0.00 61.98 58.87 1rd3 s VAL 200 Cb -0.20 -2.94 0.01 0.00 0.56 0.00 0.00 36.38 33.81 1rd3 s VAL 200 CO -0.07 -0.10 -0.03 -0.04 -0.31 0.00 0.00 175.10 174.56 1rd3 s MET 201 N -2.94 0.32 -0.17 4.82 -1.94 -0.20 0.71 119.30 119.90 1rd3 s MET 201 Ca 0.28 -0.07 -0.21 0.00 -1.71 0.00 0.00 55.69 53.98 1rd3 s MET 201 Cb -0.10 -0.36 -0.03 0.00 2.01 0.00 0.00 34.83 36.35 1rd3 s MET 201 CO 0.19 0.01 0.62 0.21 -0.01 0.00 0.00 175.02 176.05 1rd3 s LYS 202 N 0.27 4.26 -0.02 2.03 2.20 -1.26 -0.80 119.74 126.41 1rd3 s LYS 202 Ca -0.03 0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 55.92 1rd3 s LYS 202 Cb -0.05 -3.54 -0.05 0.00 -1.51 0.00 0.00 37.83 32.68 1rd3 s LYS 202 CO -0.01 -0.15 1.36 0.45 -0.36 0.00 0.00 175.35 176.65 1rd3 s SER 203 N 1.07 6.89 0.00 1.43 0.15 0.13 -4.87 113.70 118.50 1rd3 s SER 203 Ca 0.30 2.03 0.23 0.00 0.70 0.00 0.00 55.95 59.21 1rd3 s SER 203 Cb -0.16 -2.56 1.15 0.00 -1.71 0.00 0.00 66.02 62.75 1rd3 s SER 203 CO 0.11 -0.70 1.74 -0.81 1.20 0.00 0.00 173.24 174.78 1rd3 n PRO 204 N 5.49 0.34 -0.10 5.44 -0.04 -1.26 -0.42 135.00 144.45 1rd3 n PRO 204 Ca 0.13 0.07 -0.19 0.00 -0.04 0.00 0.00 63.50 63.47 1rd3 n PRO 204 Cb 0.44 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.30 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 0.00 -0.11 0.54 -1.00 -1.97 -3.40 116.94 111.00 1rd3 h PHE 204 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1rd3 h PHE 204 Cb 0.20 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.76 1rd3 h PHE 204 CO 0.00 1.28 0.00 0.27 -1.61 0.00 0.00 178.31 178.25 1rd3 n ASN 204 N -4.47 2.47 -4.17 2.17 0.23 -1.24 -5.01 115.26 105.23 1rd3 n ASN 204 Ca -0.27 -2.27 -0.35 0.00 -0.53 0.00 0.00 54.58 51.15 1rd3 n ASN 204 Cb 0.61 -0.18 -0.06 0.00 -2.08 0.00 0.00 39.78 38.08 1rd3 n ASN 204 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1rd3 n ASN 205 N -0.39 -2.09 -4.91 0.53 2.04 0.44 -4.97 115.26 105.90 1rd3 n ASN 205 Ca 0.08 -0.94 -0.25 0.00 -0.44 0.00 0.00 54.58 53.02 1rd3 n ASN 205 Cb 0.42 -1.80 -0.03 0.00 -2.53 0.00 0.00 39.78 35.83 1rd3 n ASN 205 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1rd3 s ARG 206 N -6.85 3.29 -0.12 -3.83 0.52 -1.25 -4.78 118.95 105.92 1rd3 s ARG 206 Ca 0.70 -0.71 -0.17 0.00 -0.52 0.00 0.00 55.73 55.02 1rd3 s ARG 206 Cb -0.40 -2.86 -0.04 0.00 0.52 0.00 0.00 34.95 32.17 1rd3 s ARG 206 CO 0.85 0.49 0.44 -1.58 0.02 0.00 0.00 175.30 175.53 1rd3 s TRP 207 N -1.80 3.51 0.00 -0.53 0.52 -1.26 -0.69 118.94 118.68 1rd3 s TRP 207 Ca 0.34 0.83 0.05 0.00 0.02 0.00 0.00 56.10 57.34 1rd3 s TRP 207 Cb -0.10 -2.50 -0.03 0.00 -1.15 0.00 0.00 33.47 29.68 1rd3 s TRP 207 CO 0.27 0.19 -0.15 0.71 0.02 0.00 0.00 176.95 177.99 1rd3 s TYR 208 N 0.56 2.65 -0.63 -1.98 2.02 0.01 -2.02 117.35 117.97 1rd3 s TYR 208 Ca 0.24 -0.20 -0.19 0.00 -0.37 0.00 0.00 57.07 56.56 1rd3 s TYR 208 Cb -0.15 -1.55 0.11 0.00 -0.40 0.00 0.00 41.96 39.98 1rd3 s TYR 208 CO 0.09 0.23 0.75 -1.14 -1.57 0.00 0.00 175.55 173.92 1rd3 s GLN 209 N -1.15 3.11 0.09 -0.62 0.74 -0.27 -1.04 119.66 120.53 1rd3 s GLN 209 Ca 0.14 -1.37 -0.03 0.00 0.05 0.00 0.00 55.36 54.14 1rd3 s GLN 209 Cb -0.11 -4.31 -0.22 0.00 1.10 0.00 0.00 33.01 29.47 1rd3 s GLN 209 CO 0.04 -1.57 1.20 0.52 -0.55 0.00 0.00 175.29 174.93 1rd3 h MET 210 N 9.12 0.27 -4.55 1.67 2.86 -1.16 -3.40 114.93 119.75 1rd3 h MET 210 Ca -0.25 -0.42 -0.35 0.00 -2.06 0.00 0.00 59.70 56.63 1rd3 h MET 210 Cb 1.08 0.15 -0.12 0.00 0.06 0.00 0.00 31.60 32.77 1rd3 h MET 210 CO 1.09 1.17 -0.41 0.20 1.06 0.00 0.00 176.91 180.02 1rd3 s GLY 211 N -4.61 1.84 -0.07 8.32 0.00 -0.87 -0.64 107.32 111.29 1rd3 s GLY 211 Ca -0.04 -1.79 0.02 0.00 0.00 0.00 0.00 44.72 42.92 1rd3 s GLY 211 CO 0.87 -1.28 -0.14 -0.42 0.00 0.00 0.00 173.10 172.14 1rd3 s ILE 212 N -3.48 1.27 -0.09 0.90 1.01 -0.78 -1.27 121.20 118.75 1rd3 s ILE 212 Ca 0.37 -0.55 -0.33 0.00 0.00 0.00 0.00 60.65 60.13 1rd3 s ILE 212 Cb 0.02 -1.15 -0.11 0.00 0.01 0.00 0.00 42.46 41.23 1rd3 s ILE 212 CO 0.22 0.39 1.94 0.52 0.00 0.00 0.00 174.94 178.00 1rd3 n VAL 213 N 3.84 0.59 -0.07 2.92 0.31 -0.40 -0.29 118.33 125.24 1rd3 n VAL 213 Ca -0.22 -0.14 -0.10 0.00 -0.01 0.00 0.00 64.34 63.88 1rd3 n VAL 213 Cb 0.52 -1.99 -0.06 0.00 -0.91 0.00 0.00 33.84 31.39 1rd3 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1rd3 n SER 214 N 7.27 2.89 -3.28 4.52 2.88 0.19 -0.92 113.62 127.16 1rd3 n SER 214 Ca 0.23 -0.07 -0.07 0.00 -1.33 0.00 0.00 58.87 57.63 1rd3 n SER 214 Cb 0.32 -0.22 -0.05 0.00 -0.75 0.00 0.00 64.21 63.51 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 -2.28 -1.09 -0.12 0.66 -0.11 -0.27 -4.93 118.94 110.80 1rd3 s TRP 215 Ca -0.19 0.20 -0.15 0.00 1.22 0.00 0.00 56.10 57.18 1rd3 s TRP 215 Cb 0.05 -0.08 -0.05 0.00 -1.50 0.00 0.00 33.47 31.90 1rd3 s TRP 215 CO 0.32 -1.02 0.37 0.20 -4.62 0.00 0.00 176.95 172.20 1rd3 s GLY 216 N 2.28 2.32 -0.15 5.86 0.00 -1.26 -1.11 107.32 115.26 1rd3 s GLY 216 Ca 0.12 -0.33 0.16 0.00 0.00 0.00 0.00 44.72 44.67 1rd3 s GLY 216 CO -0.22 0.48 1.32 0.28 0.00 0.00 0.00 173.10 174.96 1rd3 n LYS 217 N 3.27 2.45 0.14 2.90 5.02 -1.06 -3.01 118.16 127.87 1rd3 n LYS 217 Ca -0.11 -2.68 0.05 0.00 -2.02 0.00 0.00 58.31 53.55 1rd3 n LYS 217 Cb 0.52 -1.69 0.48 0.00 -0.02 0.00 0.00 35.03 34.32 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 1.24 0.24 -1.70 0.72 0.00 -1.37 -2.59 103.07 99.62 1rd3 h GLY 219 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1rd3 h GLY 219 CO 0.14 0.11 -0.01 0.00 0.00 0.00 0.00 176.54 176.78 1rd3 s ASP 221 N -2.01 4.46 0.32 0.00 -0.00 -0.97 -0.96 116.67 117.50 1rd3 s ASP 221 Ca 0.29 0.72 0.03 0.00 -0.00 0.00 0.00 52.55 53.60 1rd3 s ASP 221 Cb 0.20 -1.21 0.53 0.00 -0.00 0.00 0.00 42.92 42.45 1rd3 s ASP 221 CO 0.31 -1.92 1.84 -0.09 -0.00 0.00 0.00 175.17 175.30 1rd3 h ARG 221 N -1.04 0.57 -3.81 8.23 2.43 -1.93 -3.46 114.38 115.37 1rd3 h ARG 221 Ca -0.46 -0.14 -0.10 0.00 -0.81 0.00 0.00 59.98 58.47 1rd3 h ARG 221 Cb 1.32 -0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 30.70 1rd3 h ARG 221 CO 0.64 0.61 -0.18 0.34 -1.51 0.00 0.00 179.97 179.87 1rd3 s ASP 222 N -6.73 0.04 0.00 -3.80 -1.08 -1.26 -5.14 116.67 98.70 1rd3 s ASP 222 Ca -0.08 -1.05 0.00 0.00 -0.52 0.00 0.00 52.55 50.90 1rd3 s ASP 222 Cb 0.15 0.57 0.00 0.00 -1.46 0.00 0.00 42.92 42.18 1rd3 s ASP 222 CO 0.78 -1.13 0.00 0.61 0.52 0.00 0.00 175.17 175.95 1rd3 n GLY 223 N -0.39 2.55 0.24 2.66 0.00 -1.26 -4.92 105.19 104.07 1rd3 n GLY 223 Ca -0.01 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 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 0.85 -4.28 1.61 3.64 -1.92 -3.45 116.57 113.02 1rd3 h LYS 224 Ca 0.00 -0.56 -0.14 0.00 -1.27 0.00 0.00 60.65 58.68 1rd3 h LYS 224 Cb 0.00 0.07 -0.16 0.00 -0.41 0.00 0.00 32.23 31.74 1rd3 h LYS 224 CO 0.00 1.19 -0.69 0.71 -2.27 0.00 0.00 179.45 178.39 1rd3 s TYR 225 N -4.08 0.55 0.37 1.91 1.51 -1.26 -4.69 117.35 111.65 1rd3 s TYR 225 Ca -0.11 -0.98 -0.01 0.00 -1.01 0.00 0.00 57.07 54.97 1rd3 s TYR 225 Cb 0.10 -0.39 -0.03 0.00 -0.11 0.00 0.00 41.96 41.53 1rd3 s TYR 225 CO 0.89 -0.32 0.59 0.20 -1.11 0.00 0.00 175.55 175.80 1rd3 s GLY 226 N -2.75 1.38 -0.16 0.71 0.00 -0.56 -4.68 107.32 101.25 1rd3 s GLY 226 Ca 0.05 -0.83 -0.02 0.00 0.00 0.00 0.00 44.72 43.91 1rd3 s GLY 226 CO -0.08 -0.75 -0.07 -1.36 0.00 0.00 0.00 173.10 170.83 1rd3 s PHE 227 N -2.38 2.92 -0.03 1.90 2.99 -0.27 -2.74 117.98 120.37 1rd3 s PHE 227 Ca 0.41 -0.62 0.07 0.00 0.00 0.00 0.00 56.93 56.80 1rd3 s PHE 227 Cb -0.10 -1.96 -0.02 0.00 0.00 0.00 0.00 43.02 40.95 1rd3 s PHE 227 CO 0.37 -0.25 -0.25 0.71 -0.00 0.00 0.00 175.22 175.80 1rd3 s TYR 228 N 0.68 2.32 -0.08 0.36 1.51 0.46 -0.64 117.35 121.96 1rd3 s TYR 228 Ca -0.04 -0.51 -0.30 0.00 -1.01 0.00 0.00 57.07 55.22 1rd3 s TYR 228 Cb -0.15 -1.50 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1rd3 s TYR 228 CO 0.02 -0.09 1.45 0.99 -1.11 0.00 0.00 175.55 176.82 1rd3 s THR 229 N -0.48 3.87 -0.55 -0.71 2.01 0.60 -1.33 115.64 119.05 1rd3 s THR 229 Ca 0.06 1.10 -0.27 0.00 0.31 0.00 0.00 61.69 62.90 1rd3 s THR 229 Cb -0.11 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1rd3 s THR 229 CO 0.00 -0.08 1.97 -2.28 -0.69 0.00 0.00 174.62 173.54 1rd3 s HIS 230 N 3.49 1.55 0.14 4.92 2.46 -0.11 -1.87 115.29 125.87 1rd3 s HIS 230 Ca 0.64 0.93 -0.17 0.00 0.47 0.00 0.00 55.06 56.93 1rd3 s HIS 230 Cb -0.29 -3.99 -0.01 0.00 -0.13 0.00 0.00 32.58 28.16 1rd3 s HIS 230 CO 0.23 -2.44 1.78 0.28 -2.47 0.00 0.00 174.74 172.12 1rd3 h VAL 231 N 7.04 1.11 -0.71 0.89 2.07 -1.17 -2.96 116.25 122.53 1rd3 h VAL 231 Ca -0.27 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1rd3 h VAL 231 Cb 1.19 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 1rd3 h VAL 231 CO 1.18 0.11 0.36 0.15 0.02 0.00 0.00 177.57 179.39 1rd3 h PHE 232 N 0.46 1.00 -0.33 1.57 3.57 -1.85 -1.46 116.94 119.90 1rd3 h PHE 232 Ca 0.13 -0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.68 1rd3 h PHE 232 Cb -0.01 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 1rd3 h PHE 232 CO -0.04 0.73 0.30 0.00 -2.23 0.00 0.00 178.31 177.07 1rd3 h ARG 233 N 0.98 0.00 -0.40 1.11 2.47 -1.88 -1.49 114.38 115.16 1rd3 h ARG 233 Ca 0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 1rd3 h ARG 233 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1rd3 h ARG 233 CO -0.03 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.78 1rd3 n LEU 234 N -4.02 3.49 -0.36 3.04 4.77 -0.62 -4.69 117.00 118.61 1rd3 n LEU 234 Ca 0.05 -2.29 -0.00 0.00 -0.03 0.00 0.00 56.01 53.74 1rd3 n LEU 234 Cb 0.46 -0.37 0.14 0.00 -2.33 0.00 0.00 43.42 41.32 1rd3 n LEU 234 CO 0.31 0.75 1.28 0.50 -1.33 0.00 0.00 177.39 178.91 1rd3 h LYS 235 N 2.46 1.24 -0.84 3.23 3.64 -0.47 -2.51 116.57 123.33 1rd3 h LYS 235 Ca 0.00 -0.07 0.10 0.00 -1.27 0.00 0.00 60.65 59.40 1rd3 h LYS 235 Cb 1.02 -0.28 -0.07 0.00 -0.41 0.00 0.00 32.23 32.48 1rd3 h LYS 235 CO 0.08 0.82 0.48 0.87 -2.27 0.00 0.00 179.45 179.43 1rd3 h LYS 236 N 1.28 0.77 -0.50 1.90 6.56 -1.84 0.24 116.57 124.99 1rd3 h LYS 236 Ca 0.38 -0.05 -0.12 0.00 -1.06 0.00 0.00 60.65 59.81 1rd3 h LYS 236 Cb -0.05 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 31.42 1rd3 h LYS 236 CO -0.11 0.51 -0.15 2.35 -2.06 0.00 0.00 179.45 179.99 1rd3 h TRP 237 N 0.80 1.10 0.63 -1.35 7.01 -1.82 -0.07 115.95 122.24 1rd3 h TRP 237 Ca 0.41 -0.24 -0.03 0.00 2.11 0.00 0.00 58.89 61.14 1rd3 h TRP 237 Cb 0.38 -0.27 0.01 0.00 -2.10 0.00 0.00 29.16 27.18 1rd3 h TRP 237 CO -0.06 1.04 -0.30 0.82 -2.79 0.00 0.00 178.44 177.16 1rd3 h ILE 238 N 0.86 0.37 -0.89 2.65 2.04 -0.67 -1.81 117.51 120.06 1rd3 h ILE 238 Ca 0.13 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.95 1rd3 h ILE 238 Cb 0.71 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1rd3 h ILE 238 CO 0.05 0.01 0.59 1.56 0.00 0.00 0.00 178.15 180.36 1rd3 h GLN 239 N -0.87 1.15 -0.14 2.37 4.20 -0.59 -1.54 115.11 119.68 1rd3 h GLN 239 Ca -0.09 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.59 1rd3 h GLN 239 Cb 0.66 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 1rd3 h GLN 239 CO 0.14 0.76 -0.06 -0.22 -0.67 0.00 0.00 178.83 178.78 1rd3 h LYS 240 N 1.19 -0.05 0.68 1.46 3.64 -0.75 0.49 116.57 123.23 1rd3 h LYS 240 Ca 0.33 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.68 1rd3 h LYS 240 Cb -0.11 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1rd3 h LYS 240 CO -0.08 -0.03 -0.33 0.28 -2.27 0.00 0.00 179.45 177.02 1rd3 h VAL 241 N -0.05 0.33 -0.40 2.00 2.07 -1.00 -0.98 116.25 118.22 1rd3 h VAL 241 Ca 0.08 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.68 1rd3 h VAL 241 Cb 0.16 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 30.19 1rd3 h VAL 241 CO -0.17 0.00 -0.10 0.40 0.02 0.00 0.00 177.57 177.72 1rd3 h ILE 242 N -0.91 0.60 -0.08 4.57 2.04 -1.08 0.15 117.51 122.79 1rd3 h ILE 242 Ca -0.09 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1rd3 h ILE 242 Cb 0.70 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1rd3 h ILE 242 CO 0.15 0.00 -0.04 -0.78 0.00 0.00 0.00 178.15 177.48 1rd3 h ASP 243 N 0.00 0.10 0.69 1.72 3.58 0.11 -0.71 116.42 121.92 1rd3 h ASP 243 Ca 0.19 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.52 1rd3 h ASP 243 Cb 0.30 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 1rd3 h ASP 243 CO -0.41 0.16 -1.39 1.67 -2.88 0.00 0.00 179.24 176.39 1rd3 n GLN 244 N -4.42 0.62 -0.02 0.28 7.27 -0.38 -4.39 117.38 116.34 1rd3 n GLN 244 Ca -0.02 0.14 0.01 0.00 0.07 0.00 0.00 57.00 57.21 1rd3 n GLN 244 Cb 0.16 -1.77 0.02 0.00 2.41 0.00 0.00 30.24 31.06 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 -2.76 0.05 -4.44 3.69 3.72 0.39 -5.01 117.46 113.09 1rd3 n PHE 245 Ca -0.07 -0.33 -0.25 0.00 -0.05 0.00 0.00 57.45 56.75 1rd3 n PHE 245 Cb 0.74 -0.03 -0.11 0.00 -0.94 0.00 0.00 39.48 39.15 1rd3 n PHE 245 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1rd3 s GLY 246 N -0.72 1.79 0.00 1.37 0.00 -0.28 -5.02 107.32 104.47 1rd3 s GLY 246 Ca 0.04 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 42.98 1rd3 s GLY 246 CO 0.03 -1.85 0.51 -1.84 0.00 0.00 0.00 173.10 169.95