#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5g n GLN 14 N 0.00 0.00 0.15 -0.52 6.02 -1.26 -4.97 117.38 116.80 1s5g n GLN 14 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1s5g n GLN 14 Cb 0.00 0.00 0.22 0.00 1.02 0.00 0.00 30.24 31.48 1s5g n GLN 14 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1s5g h LYS 15 N 0.00 0.01 -0.01 -1.09 3.64 -2.06 -3.18 116.57 113.88 1s5g h LYS 15 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1s5g h LYS 15 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1s5g h LYS 15 CO 0.00 0.56 -0.04 0.00 -2.27 0.00 0.00 179.45 177.70 1s5g n GLN 16 N -3.89 1.27 0.16 1.90 0.00 -1.26 -2.72 117.38 112.83 1s5g n GLN 16 Ca -0.01 -0.56 0.13 0.00 0.00 0.00 0.00 57.00 56.55 1s5g n GLN 16 Cb 0.56 -1.49 0.41 0.00 0.00 0.00 0.00 30.24 29.72 1s5g n GLN 16 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1s5g h ILE 17 N 1.37 0.00 0.00 -0.39 2.04 -1.92 0.75 117.51 119.36 1s5g h ILE 17 Ca 0.00 -0.53 -0.20 0.00 1.00 0.00 0.00 64.86 65.12 1s5g h ILE 17 Cb 0.35 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1s5g h ILE 17 CO 0.00 0.00 -1.48 1.56 0.00 0.00 0.00 178.15 178.23 1s5g h GLN 18 N 0.00 0.00 0.00 2.37 1.08 -1.69 -3.23 115.11 113.65 1s5g h GLN 18 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1s5g h GLN 18 Cb 0.68 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 1s5g h GLN 18 CO 0.00 0.35 -0.08 1.49 -0.95 0.00 0.00 178.83 179.64 1s5g h GLU 19 N 0.00 0.00 0.00 1.46 4.81 -0.96 -0.64 114.58 119.26 1s5g h GLU 19 Ca -0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1s5g h GLU 19 Cb 1.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.08 1s5g h GLU 19 CO 0.06 0.00 0.00 -1.33 -0.73 0.00 0.00 179.01 177.01 1s5g n MET 20 N -2.92 0.23 0.03 1.92 2.81 0.24 0.87 117.12 120.30 1s5g n MET 20 Ca 0.04 0.20 0.01 0.00 -1.81 0.00 0.00 57.70 56.14 1s5g n MET 20 Cb 0.51 -1.78 -0.09 0.00 -0.71 0.00 0.00 33.22 31.16 1s5g n MET 20 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1s5g n LYS 21 N -2.19 0.63 0.06 0.03 4.81 -0.68 -2.86 118.16 117.95 1s5g n LYS 21 Ca 0.06 0.18 -0.11 0.00 -0.87 0.00 0.00 58.31 57.56 1s5g n LYS 21 Cb 0.41 -1.78 -0.13 0.00 0.02 0.00 0.00 35.03 33.56 1s5g n LYS 21 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1s5g h GLU 22 N 0.00 0.11 -1.27 1.64 4.81 -0.34 -2.85 114.58 116.68 1s5g h GLU 22 Ca -0.17 -0.19 -0.44 0.00 -0.13 0.00 0.00 59.36 58.43 1s5g h GLU 22 Cb 1.55 0.07 -0.20 0.00 0.63 0.00 0.00 28.75 30.80 1s5g h GLU 22 CO 0.04 1.00 0.57 0.00 -0.73 0.00 0.00 179.01 179.89 1s5g n ALA 23 N -2.49 5.43 0.00 2.92 0.00 0.25 -1.81 120.51 124.82 1s5g n ALA 23 Ca -0.08 -2.29 0.00 0.00 0.00 0.00 0.00 53.44 51.07 1s5g n ALA 23 Cb 1.00 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1s5g n ALA 23 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1s5g n PHE 24 N -0.21 0.00 0.18 0.00 -0.00 -1.08 -4.49 117.46 111.86 1s5g n PHE 24 Ca 0.42 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.93 1s5g n PHE 24 Cb 0.72 0.00 0.30 0.00 -0.00 0.00 0.00 39.48 40.50 1s5g n PHE 24 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 1s5g h SER 25 N 0.00 0.00 0.00 -2.13 0.02 -1.32 -2.24 113.55 107.88 1s5g h SER 25 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1s5g h SER 25 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1s5g h SER 25 CO 0.00 0.38 -1.13 0.23 -1.14 0.00 0.00 176.83 175.17 1s5g n MET 26 N -3.46 1.34 0.13 3.45 2.81 -1.26 -4.18 117.12 115.95 1s5g n MET 26 Ca 0.00 -0.06 -0.14 0.00 -1.81 0.00 0.00 57.70 55.70 1s5g n MET 26 Cb 0.54 -1.28 -0.08 0.00 -0.71 0.00 0.00 33.22 31.68 1s5g n MET 26 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1s5g h ILE 27 N 0.00 0.85 0.00 2.02 5.03 -1.76 -3.12 117.51 120.53 1s5g h ILE 27 Ca 0.00 -0.40 -0.07 0.00 -0.12 0.00 0.00 64.86 64.27 1s5g h ILE 27 Cb 0.51 1.08 -0.03 0.00 -3.03 0.00 0.00 36.82 35.36 1s5g h ILE 27 CO 0.00 0.09 -0.12 -0.67 -0.68 0.00 0.00 178.15 176.77 1s5g n ASP 28 N -5.13 4.64 -0.22 1.72 2.03 -0.85 -4.68 116.55 114.06 1s5g n ASP 28 Ca -0.09 -2.29 0.01 0.00 0.52 0.00 0.00 54.79 52.94 1s5g n ASP 28 Cb 0.20 -1.10 0.08 0.00 -0.72 0.00 0.00 41.12 39.59 1s5g n ASP 28 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1s5g h VAL 29 N 1.57 0.37 -0.34 5.18 2.07 -1.73 0.41 116.25 123.78 1s5g h VAL 29 Ca 0.07 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1s5g h VAL 29 Cb 1.08 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1s5g h VAL 29 CO 0.12 0.01 0.00 -0.90 0.02 0.00 0.00 177.57 176.81 1s5g n ASP 30 N -5.40 2.11 -3.05 0.57 5.75 -1.26 -5.01 116.55 110.26 1s5g n ASP 30 Ca 0.09 -1.92 -0.17 0.00 -0.01 0.00 0.00 54.79 52.79 1s5g n ASP 30 Cb 0.36 -0.23 0.02 0.00 -1.03 0.00 0.00 41.12 40.24 1s5g n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1s5g n ARG 31 N 0.64 -2.26 -0.58 0.11 1.74 0.13 -4.98 116.66 111.46 1s5g n ARG 31 Ca 0.15 1.92 0.00 0.00 -0.77 0.00 0.00 57.85 59.15 1s5g n ARG 31 Cb 0.36 -4.40 0.00 0.00 -1.02 0.00 0.00 32.46 27.40 1s5g n ARG 31 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1s5g n ASP 32 N -0.14 0.06 -1.92 0.55 5.75 -1.26 -4.97 116.55 114.63 1s5g n ASP 32 Ca 0.04 -1.87 -0.14 0.00 -0.01 0.00 0.00 54.79 52.81 1s5g n ASP 32 Cb 0.50 -0.18 -0.03 0.00 -1.03 0.00 0.00 41.12 40.38 1s5g n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s5g n GLY 33 N 0.04 0.43 3.84 6.12 0.00 -1.26 -4.84 105.19 109.51 1s5g n GLY 33 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1s5g n GLY 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s5g s PHE 34 N -2.46 0.03 -0.21 1.61 -0.12 -1.26 -4.72 117.98 110.84 1s5g s PHE 34 Ca 0.00 -0.46 -0.04 0.00 -0.05 0.00 0.00 56.93 56.38 1s5g s PHE 34 Cb 0.00 0.71 0.10 0.00 -0.63 0.00 0.00 43.02 43.20 1s5g s PHE 34 CO 0.00 -1.03 0.24 0.08 -0.05 0.00 0.00 175.22 174.45 1s5g s VAL 35 N -2.50 -0.35 1.20 -2.49 1.01 -1.26 -4.72 120.40 111.30 1s5g s VAL 35 Ca 0.18 -0.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.88 1s5g s VAL 35 Cb -0.03 -0.71 0.29 0.00 0.00 0.00 0.00 36.38 35.93 1s5g s VAL 35 CO 0.06 -0.23 0.94 -0.24 0.00 0.00 0.00 175.10 175.63 1s5g n SER 36 N 5.32 -1.93 0.00 3.32 2.88 -1.26 -4.72 113.62 117.23 1s5g n SER 36 Ca -0.05 -0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.28 1s5g n SER 36 Cb 0.49 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 1s5g n SER 36 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1s5g n LYS 37 N -4.86 0.00 0.00 -1.46 4.81 -1.26 -1.00 118.16 114.39 1s5g n LYS 37 Ca 0.02 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 1s5g n LYS 37 Cb 0.55 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 34.08 1s5g n LYS 37 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1s5g n GLU 38 N -1.13 3.58 -0.32 1.64 1.02 -1.26 -4.64 120.64 119.53 1s5g n GLU 38 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 1s5g n GLU 38 Cb 0.02 -0.36 0.16 0.00 -0.02 0.00 0.00 31.44 31.23 1s5g n GLU 38 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1s5g h ASP 39 N 0.00 0.85 -0.10 1.62 1.82 -1.35 0.04 116.42 119.29 1s5g h ASP 39 Ca 0.00 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1s5g h ASP 39 Cb 0.00 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 39.85 1s5g h ASP 39 CO 0.00 0.53 0.06 0.40 -1.61 0.00 0.00 179.24 178.61 1s5g h ILE 40 N 0.97 1.07 0.00 2.25 2.04 -1.83 -2.56 117.51 119.46 1s5g h ILE 40 Ca 0.40 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 66.03 1s5g h ILE 40 Cb 0.23 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1s5g h ILE 40 CO -0.19 0.07 -0.11 0.11 0.00 0.00 0.00 178.15 178.02 1s5g h LYS 41 N 0.08 0.00 -0.13 2.37 1.57 -1.62 -1.60 116.57 117.24 1s5g h LYS 41 Ca 0.04 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1s5g h LYS 41 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1s5g h LYS 41 CO -0.01 0.11 -0.19 0.00 -0.57 0.00 0.00 179.45 178.80 1s5g h ALA 42 N 1.89 0.20 -0.43 3.86 0.00 -0.62 0.16 119.26 124.30 1s5g h ALA 42 Ca -0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1s5g h ALA 42 Cb 0.46 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1s5g h ALA 42 CO 0.01 0.12 -0.10 0.97 0.00 0.00 0.00 179.25 180.26 1s5g h ILE 43 N -0.03 1.26 -0.25 0.00 6.09 -1.20 -1.64 117.51 121.72 1s5g h ILE 43 Ca 0.01 -1.15 -0.06 0.00 -1.37 0.00 0.00 64.86 62.30 1s5g h ILE 43 Cb 0.74 1.03 -0.01 0.00 0.47 0.00 0.00 36.82 39.06 1s5g h ILE 43 CO 0.04 0.39 -0.06 -1.28 -3.07 0.00 0.00 178.15 174.18 1s5g h SER 44 N 0.70 0.49 0.27 2.19 0.87 -1.21 -3.01 113.55 113.86 1s5g h SER 44 Ca 0.12 -0.37 -0.05 0.00 -1.23 0.00 0.00 61.79 60.26 1s5g h SER 44 Cb 0.58 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1s5g h SER 44 CO 0.04 0.74 -0.25 -0.33 -0.53 0.00 0.00 176.83 176.50 1s5g h GLU 45 N 0.23 0.00 0.00 2.24 3.07 -0.54 -1.75 114.58 117.83 1s5g h GLU 45 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1s5g h GLU 45 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1s5g h GLU 45 CO 0.03 0.25 0.00 0.94 -1.40 0.00 0.00 179.01 178.83 1s5g n GLN 46 N -4.18 0.20 0.00 2.33 0.00 -0.63 -4.31 117.38 110.79 1s5g n GLN 46 Ca -0.02 0.14 0.00 0.00 -0.00 0.00 0.00 57.00 57.12 1s5g n GLN 46 Cb 0.31 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.05 1s5g n GLN 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1s5g n LEU 47 N -1.32 0.36 0.00 1.69 4.77 -1.02 -5.10 117.00 116.38 1s5g n LEU 47 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1s5g n LEU 47 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1s5g n LEU 47 CO 0.13 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 1s5g n GLY 48 N 1.84 1.43 3.65 -0.72 0.00 -0.69 -5.15 105.19 105.54 1s5g n GLY 48 Ca 0.00 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 1s5g n GLY 48 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1s5g s ARG 49 N 1.14 2.08 -0.23 1.61 1.70 -1.26 -4.91 118.95 119.09 1s5g s ARG 49 Ca 0.00 -1.81 -0.02 0.00 -0.47 0.00 0.00 55.73 53.42 1s5g s ARG 49 Cb 0.00 -1.90 0.01 0.00 -0.57 0.00 0.00 34.95 32.49 1s5g s ARG 49 CO 0.00 0.07 -0.07 0.00 -1.08 0.00 0.00 175.30 174.22 1s5g s ALA 50 N -2.56 2.71 0.76 7.88 0.00 -1.26 -4.18 121.76 125.11 1s5g s ALA 50 Ca 0.36 -1.29 -0.15 0.00 0.00 0.00 0.00 51.96 50.88 1s5g s ALA 50 Cb 0.02 -1.63 0.05 0.00 0.00 0.00 0.00 23.12 21.56 1s5g s ALA 50 CO 0.20 -0.56 1.19 -2.30 0.00 0.00 0.00 175.76 174.28 1s5g n PRO 51 N 4.73 0.45 -1.94 0.00 -0.02 -1.26 -5.01 135.00 131.96 1s5g n PRO 51 Ca -0.18 0.22 -0.34 0.00 -2.02 0.00 0.00 63.50 61.19 1s5g n PRO 51 Cb 0.49 -2.43 0.03 0.00 -0.02 0.00 0.00 33.50 31.57 1s5g n PRO 51 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1s5g s ASP 52 N -1.87 5.32 0.27 2.55 1.01 -1.26 -4.93 116.67 117.76 1s5g s ASP 52 Ca 0.76 2.07 0.15 0.00 0.71 0.00 0.00 52.55 56.24 1s5g s ASP 52 Cb -0.32 -2.56 0.06 0.00 1.01 0.00 0.00 42.92 41.10 1s5g s ASP 52 CO 0.48 -1.49 1.42 -0.78 0.21 0.00 0.00 175.17 175.01 1s5g h ASP 53 N 0.46 0.00 0.07 0.27 3.58 -1.96 -1.31 116.42 117.53 1s5g h ASP 53 Ca -0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 1s5g h ASP 53 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 1s5g h ASP 53 CO 0.55 0.50 -0.02 0.29 -2.88 0.00 0.00 179.24 177.68 1s5g n LYS 54 N -3.21 1.18 -0.28 0.28 5.02 -1.26 -0.18 118.16 119.71 1s5g n LYS 54 Ca 0.01 -0.41 0.10 0.00 -2.02 0.00 0.00 58.31 55.99 1s5g n LYS 54 Cb 0.74 -1.49 0.25 0.00 -0.02 0.00 0.00 35.03 34.51 1s5g n LYS 54 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1s5g n GLU 55 N -0.55 2.71 -0.02 1.97 1.02 -0.54 -2.77 120.64 122.46 1s5g n GLU 55 Ca 0.20 -2.40 -0.02 0.00 -0.02 0.00 0.00 57.16 54.92 1s5g n GLU 55 Cb 0.24 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 1s5g n GLU 55 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1s5g n LEU 56 N 1.24 0.17 -0.11 -4.62 -0.00 0.74 -4.71 117.00 109.71 1s5g n LEU 56 Ca 0.19 -0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.98 1s5g n LEU 56 Cb 0.55 0.09 -0.12 0.00 -0.00 0.00 0.00 43.42 43.94 1s5g n LEU 56 CO 0.13 0.14 -1.23 0.41 -0.00 0.00 0.00 177.39 176.84 1s5g n THR 57 N -2.19 1.55 0.00 1.47 -1.04 0.01 -4.20 114.28 109.88 1s5g n THR 57 Ca -0.07 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.46 1s5g n THR 57 Cb 0.64 -1.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.49 1s5g n THR 57 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s5g n ALA 58 N -3.54 1.05 -0.10 2.41 0.00 -1.11 -0.03 120.51 119.17 1s5g n ALA 58 Ca -0.46 -0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.03 1s5g n ALA 58 Cb 0.94 -1.00 0.12 0.00 0.00 0.00 0.00 19.45 19.51 1s5g n ALA 58 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1s5g n MET 59 N -1.46 2.70 0.32 0.00 2.81 -1.26 -4.62 117.12 115.61 1s5g n MET 59 Ca 0.00 -1.88 0.17 0.00 -1.81 0.00 0.00 57.70 54.18 1s5g n MET 59 Cb 0.00 -1.21 0.89 0.00 -0.71 0.00 0.00 33.22 32.18 1s5g n MET 59 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1s5g h LEU 60 N 1.65 0.00 -2.19 4.03 3.38 -0.62 -2.77 115.31 118.79 1s5g h LEU 60 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s5g h LEU 60 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1s5g h LEU 60 CO 0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 1s5g n LYS 61 N -3.02 2.87 -0.80 1.13 4.01 -1.26 -4.38 118.16 116.72 1s5g n LYS 61 Ca -0.01 -1.67 -0.04 0.00 -0.51 0.00 0.00 58.31 56.08 1s5g n LYS 61 Cb 0.34 -1.78 0.21 0.00 -0.51 0.00 0.00 35.03 33.29 1s5g n LYS 61 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1s5g n GLU 62 N 0.42 2.08 -3.40 1.97 2.13 -1.05 -4.88 120.64 117.92 1s5g n GLU 62 Ca 0.15 -3.11 -0.26 0.00 0.66 0.00 0.00 57.16 54.60 1s5g n GLU 62 Cb 0.67 -1.86 -0.08 0.00 0.27 0.00 0.00 31.44 30.43 1s5g n GLU 62 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1s5g n ALA 63 N -1.01 3.30 -0.10 4.31 0.00 -1.26 -4.80 120.51 120.94 1s5g n ALA 63 Ca 0.34 -4.09 -0.01 0.00 0.00 0.00 0.00 53.44 49.67 1s5g n ALA 63 Cb 1.08 -0.87 -0.00 0.00 0.00 0.00 0.00 19.45 19.66 1s5g n ALA 63 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1s5g n PRO 64 N 1.40 0.00 0.00 0.00 -0.02 -1.26 -2.99 135.00 132.13 1s5g n PRO 64 Ca 0.26 -0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1s5g n PRO 64 Cb 0.45 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1s5g n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s5g n GLY 65 N 3.79 3.40 0.00 -1.23 0.00 -1.26 -5.09 105.19 104.80 1s5g n GLY 65 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1s5g n GLY 65 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1s5g n PRO 66 N 0.00 0.00 -3.31 1.61 -0.02 -1.16 -4.88 135.00 127.24 1s5g n PRO 66 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.51 1s5g n PRO 66 Cb 0.00 -0.11 -0.05 0.00 -0.02 0.00 0.00 33.50 33.33 1s5g n PRO 66 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1s5g s LEU 67 N 0.00 -0.11 0.00 2.45 2.96 -1.26 -4.71 118.68 118.00 1s5g s LEU 67 Ca 0.00 0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1s5g s LEU 67 Cb 0.00 1.13 0.00 0.00 0.50 0.00 0.00 46.19 47.82 1s5g s LEU 67 CO 0.00 -0.02 0.00 0.59 -1.32 0.00 0.00 176.35 175.60 1s5g n ASN 68 N 4.24 1.22 -0.02 3.68 4.13 -1.26 -4.22 115.26 123.03 1s5g n ASN 68 Ca -0.09 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.05 1s5g n ASN 68 Cb 0.56 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.65 1s5g n ASN 68 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1s5g n PHE 69 N 0.00 0.99 -0.16 3.10 7.35 -1.26 -3.03 117.46 124.46 1s5g n PHE 69 Ca 0.00 0.31 -0.12 0.00 -0.76 0.00 0.00 57.45 56.88 1s5g n PHE 69 Cb 0.00 -1.17 0.09 0.00 0.35 0.00 0.00 39.48 38.75 1s5g n PHE 69 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1s5g n THR 70 N -3.14 2.14 -0.26 -2.13 -1.04 -1.26 -2.71 114.28 105.88 1s5g n THR 70 Ca -0.22 -1.00 0.00 0.00 -2.04 0.00 0.00 64.05 60.79 1s5g n THR 70 Cb 1.06 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 1s5g n THR 70 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1s5g n MET 71 N -0.29 0.86 0.07 -2.82 1.56 -1.25 -4.56 117.12 110.68 1s5g n MET 71 Ca 0.30 0.00 -0.15 0.00 -0.27 0.00 0.00 57.70 57.58 1s5g n MET 71 Cb 1.06 -0.07 -0.14 0.00 2.15 0.00 0.00 33.22 36.22 1s5g n MET 71 CO 0.00 0.00 0.00 0.74 -0.73 0.00 0.00 175.97 175.98 1s5g h PHE 72 N 0.00 0.39 0.59 1.12 0.05 -1.42 -2.69 116.94 114.98 1s5g h PHE 72 Ca 0.00 -0.29 -0.03 0.00 3.82 0.00 0.00 57.97 61.48 1s5g h PHE 72 Cb 0.00 -0.02 0.01 0.00 2.00 0.00 0.00 35.95 37.94 1s5g h PHE 72 CO 0.00 1.29 -0.28 -0.07 -0.18 0.00 0.00 178.31 179.07 1s5g h LEU 73 N 0.06 -0.67 0.00 1.54 3.38 -1.80 -3.31 115.31 114.51 1s5g h LEU 73 Ca -0.19 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1s5g h LEU 73 Cb 1.98 0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.90 1s5g h LEU 73 CO 0.17 -0.27 0.00 -1.54 0.09 0.00 0.00 178.44 176.88 1s5g n SER 74 N -5.31 0.00 -0.39 -0.43 3.41 -1.25 -2.14 113.62 107.51 1s5g n SER 74 Ca -0.10 -0.78 0.04 0.00 -0.26 0.00 0.00 58.87 57.77 1s5g n SER 74 Cb 0.33 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.38 1s5g n SER 74 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1s5g n ILE 75 N -0.84 1.15 0.00 -1.33 5.41 -1.01 -4.29 119.36 118.45 1s5g n ILE 75 Ca 0.10 -1.14 0.00 0.00 1.00 0.00 0.00 62.75 62.71 1s5g n ILE 75 Cb 0.04 0.40 -0.00 0.00 -0.71 0.00 0.00 39.64 39.37 1s5g n ILE 75 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1s5g n PHE 76 N -0.06 0.00 0.96 1.39 3.01 -0.91 -4.57 117.46 117.29 1s5g n PHE 76 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.54 1s5g n PHE 76 Cb 0.41 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 1s5g n PHE 76 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1s5g n SER 77 N -1.43 0.48 -0.01 4.37 7.64 -1.11 -1.42 113.62 122.14 1s5g n SER 77 Ca -0.00 -1.44 0.08 0.00 1.01 0.00 0.00 58.87 58.52 1s5g n SER 77 Cb 0.01 -0.24 -0.12 0.00 -1.01 0.00 0.00 64.21 62.85 1s5g n SER 77 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1s5g n ASP 78 N -0.07 1.11 -0.10 6.43 -0.08 -1.26 -4.31 116.55 118.26 1s5g n ASP 78 Ca 0.00 -0.18 -0.13 0.00 -1.51 0.00 0.00 54.79 52.97 1s5g n ASP 78 Cb 0.12 1.61 -0.09 0.00 2.34 0.00 0.00 41.12 45.10 1s5g n ASP 78 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1s5g n LYS 79 N -1.94 0.55 0.00 -0.67 4.76 -0.51 -4.36 118.16 116.00 1s5g n LYS 79 Ca -0.02 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1s5g n LYS 79 Cb 0.40 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 1s5g n LYS 79 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1s5g n LEU 80 N -3.03 0.58 -4.43 -0.35 4.77 -0.99 -4.72 117.00 108.82 1s5g n LEU 80 Ca -0.34 -0.29 -0.39 0.00 -0.03 0.00 0.00 56.01 54.97 1s5g n LEU 80 Cb 0.87 -0.29 -0.12 0.00 -2.33 0.00 0.00 43.42 41.56 1s5g n LEU 80 CO 0.20 0.14 -0.20 -0.55 -1.33 0.00 0.00 177.39 175.66 1s5g s SER 81 N -0.43 5.58 0.00 -1.43 0.15 -1.26 -4.36 113.70 111.95 1s5g s SER 81 Ca 0.00 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.06 1s5g s SER 81 Cb 0.00 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 1s5g s SER 81 CO 0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1s5g n GLY 82 N 4.98 1.95 3.96 9.45 0.00 -1.26 -5.01 105.19 119.26 1s5g n GLY 82 Ca -0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 1s5g n GLY 82 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1s5g s THR 83 N -1.97 4.31 0.24 2.61 -1.32 -1.26 -5.12 115.64 113.12 1s5g s THR 83 Ca 0.00 -0.62 0.11 0.00 -1.21 0.00 0.00 61.69 59.96 1s5g s THR 83 Cb 0.00 -3.56 -0.05 0.00 -1.51 0.00 0.00 72.50 67.38 1s5g s THR 83 CO 0.00 -0.34 -0.20 -1.81 -2.21 0.00 0.00 174.62 170.06 1s5g s ASP 84 N -4.16 3.29 0.89 8.08 1.01 -1.26 -5.15 116.67 119.37 1s5g s ASP 84 Ca 0.45 -0.98 -0.01 0.00 0.71 0.00 0.00 52.55 52.72 1s5g s ASP 84 Cb -0.10 -0.25 0.02 0.00 1.01 0.00 0.00 42.92 43.60 1s5g s ASP 84 CO 0.36 0.01 0.04 -1.54 0.21 0.00 0.00 175.17 174.25 1s5g n SER 85 N -0.30 -1.84 -0.02 0.27 3.41 -1.26 -4.84 113.62 109.03 1s5g n SER 85 Ca -0.08 -0.04 -0.07 0.00 -0.26 0.00 0.00 58.87 58.42 1s5g n SER 85 Cb 0.59 -0.05 -0.13 0.00 -0.26 0.00 0.00 64.21 64.36 1s5g n SER 85 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1s5g n GLU 86 N -1.88 0.64 0.04 4.33 2.13 -1.26 -3.42 120.64 121.21 1s5g n GLU 86 Ca 0.01 0.24 -0.02 0.00 0.66 0.00 0.00 57.16 58.05 1s5g n GLU 86 Cb 0.03 -1.75 -0.08 0.00 0.27 0.00 0.00 31.44 29.90 1s5g n GLU 86 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1s5g h GLU 87 N 0.00 0.00 -0.18 5.31 4.81 -1.95 -2.87 114.58 119.70 1s5g h GLU 87 Ca -0.30 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.78 1s5g h GLU 87 Cb 1.97 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.34 1s5g h GLU 87 CO 0.07 0.43 -0.52 1.15 -0.73 0.00 0.00 179.01 179.40 1s5g h THR 88 N 0.00 1.32 0.12 0.32 2.02 -1.92 -2.97 112.91 111.81 1s5g h THR 88 Ca -0.14 -1.76 -0.24 0.00 0.77 0.00 0.00 66.41 65.04 1s5g h THR 88 Cb 1.65 1.75 0.02 0.00 -1.74 0.00 0.00 68.15 69.84 1s5g h THR 88 CO 0.06 0.54 -1.00 0.40 0.37 0.00 0.00 175.52 175.90 1s5g h ILE 89 N 0.39 1.39 0.00 3.11 2.04 -1.67 -2.80 117.51 119.97 1s5g h ILE 89 Ca 0.01 -2.44 0.00 0.00 1.00 0.00 0.00 64.86 63.43 1s5g h ILE 89 Cb 1.04 2.91 0.00 0.00 -0.74 0.00 0.00 36.82 40.03 1s5g h ILE 89 CO 0.10 0.72 0.00 -1.14 0.00 0.00 0.00 178.15 177.82 1s5g n ARG 90 N -3.99 0.64 0.00 2.37 0.63 -1.08 -1.72 116.66 113.52 1s5g n ARG 90 Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 1s5g n ARG 90 Cb 0.88 -1.12 0.00 0.00 0.45 0.00 0.00 32.46 32.68 1s5g n ARG 90 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1s5g n ASN 91 N -0.26 4.57 -0.17 6.15 5.03 -1.12 -3.99 115.26 125.47 1s5g n ASN 91 Ca 0.00 0.00 -0.10 0.00 0.87 0.00 0.00 54.58 55.35 1s5g n ASN 91 Cb 0.06 0.45 0.00 0.00 -1.02 0.00 0.00 39.78 39.27 1s5g n ASN 91 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1s5g h ALA 92 N 0.00 0.69 0.00 5.41 0.00 -1.05 -1.29 119.26 123.01 1s5g h ALA 92 Ca 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1s5g h ALA 92 Cb 0.92 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1s5g h ALA 92 CO 0.00 0.57 -0.35 0.74 0.00 0.00 0.00 179.25 180.21 1s5g h PHE 93 N 0.80 0.00 0.00 0.00 0.04 -1.62 -2.11 116.94 114.06 1s5g h PHE 93 Ca 0.13 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.90 1s5g h PHE 93 Cb 0.63 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.78 1s5g h PHE 93 CO 0.05 0.35 0.00 0.00 -0.60 0.00 0.00 178.31 178.10 1s5g n ALA 94 N -2.32 2.23 1.52 2.45 0.00 -0.58 -2.61 120.51 121.21 1s5g n ALA 94 Ca -0.01 -0.11 0.15 0.00 0.00 0.00 0.00 53.44 53.47 1s5g n ALA 94 Cb 0.46 -1.41 0.71 0.00 0.00 0.00 0.00 19.45 19.21 1s5g n ALA 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1s5g n MET 95 N -1.36 0.72 -0.65 0.00 2.81 -0.68 -3.20 117.12 114.76 1s5g n MET 95 Ca 0.10 -0.17 0.06 0.00 -1.81 0.00 0.00 57.70 55.88 1s5g n MET 95 Cb 0.23 -1.50 0.17 0.00 -0.71 0.00 0.00 33.22 31.42 1s5g n MET 95 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1s5g n PHE 96 N -0.99 0.00 -3.02 2.03 3.01 -1.07 -4.80 117.46 112.62 1s5g n PHE 96 Ca 0.16 -1.27 -0.16 0.00 1.01 0.00 0.00 57.45 57.19 1s5g n PHE 96 Cb 0.24 -0.22 -0.00 0.00 -0.01 0.00 0.00 39.48 39.49 1s5g n PHE 96 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1s5g n ASP 97 N -0.92 -0.62 0.25 4.37 2.03 -1.20 -4.85 116.55 115.61 1s5g n ASP 97 Ca 0.17 -3.12 0.18 0.00 0.52 0.00 0.00 54.79 52.53 1s5g n ASP 97 Cb 0.74 0.31 0.85 0.00 -0.72 0.00 0.00 41.12 42.30 1s5g n ASP 97 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1s5g h GLU 98 N 3.43 0.00 -0.37 -0.67 4.11 -1.87 -0.38 114.58 118.82 1s5g h GLU 98 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 1s5g h GLU 98 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1s5g h GLU 98 CO 0.38 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.50 1s5g n GLN 99 N -3.30 1.87 -4.07 1.06 1.13 -1.26 -4.94 117.38 107.87 1s5g n GLN 99 Ca 0.01 -1.32 -0.34 0.00 -1.94 0.00 0.00 57.00 53.41 1s5g n GLN 99 Cb 0.39 -1.29 -0.02 0.00 0.11 0.00 0.00 30.24 29.43 1s5g n GLN 99 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1s5g n GLU 100 N 0.57 -3.39 0.00 -1.09 1.02 -0.15 -4.85 120.64 112.75 1s5g n GLU 100 Ca 0.12 0.40 0.14 0.00 -0.02 0.00 0.00 57.16 57.81 1s5g n GLU 100 Cb 0.32 -5.14 0.67 0.00 -0.02 0.00 0.00 31.44 27.26 1s5g n GLU 100 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1s5g n THR 101 N -4.32 0.00 -2.64 2.62 -2.24 -1.26 -4.89 114.28 101.55 1s5g n THR 101 Ca 0.07 -0.05 -0.20 0.00 -2.27 0.00 0.00 64.05 61.60 1s5g n THR 101 Cb 0.50 -0.18 0.01 0.00 -2.10 0.00 0.00 70.33 68.56 1s5g n THR 101 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1s5g n LYS 102 N -0.96 -2.91 -3.64 -0.78 4.76 -1.26 -4.97 118.16 108.40 1s5g n LYS 102 Ca 0.16 0.88 -0.06 0.00 -2.87 0.00 0.00 58.31 56.41 1s5g n LYS 102 Cb 0.26 -5.49 -0.07 0.00 -1.84 0.00 0.00 35.03 27.89 1s5g n LYS 102 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1s5g s LYS 103 N -5.25 0.67 0.18 1.97 1.02 -1.26 -4.30 119.74 112.77 1s5g s LYS 103 Ca 0.13 1.19 0.02 0.00 0.02 0.00 0.00 55.97 57.33 1s5g s LYS 103 Cb -0.06 0.18 -0.04 0.00 -0.52 0.00 0.00 37.83 37.40 1s5g s LYS 103 CO 0.16 -0.15 0.33 -0.51 -0.92 0.00 0.00 175.35 174.26 1s5g s LEU 104 N 1.70 4.30 0.61 3.17 1.43 -0.90 -4.92 118.68 124.07 1s5g s LEU 104 Ca -0.10 0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 53.12 1s5g s LEU 104 Cb -0.05 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 1s5g s LEU 104 CO -0.19 0.01 1.03 0.20 0.23 0.00 0.00 176.35 177.62 1s5g s ASN 105 N -3.30 6.24 -0.01 2.29 -0.87 -1.26 -0.55 114.94 117.49 1s5g s ASN 105 Ca 0.36 1.45 -0.24 0.00 -1.57 0.00 0.00 52.86 52.86 1s5g s ASN 105 Cb -0.11 -2.48 -0.17 0.00 -0.02 0.00 0.00 41.25 38.48 1s5g s ASN 105 CO 0.29 -0.86 1.15 -0.29 -2.57 0.00 0.00 177.10 174.82 1s5g h ILE 106 N -0.18 0.79 -0.09 0.60 6.09 -1.45 -2.70 117.51 120.57 1s5g h ILE 106 Ca -0.44 -0.77 0.03 0.00 -1.37 0.00 0.00 64.86 62.30 1s5g h ILE 106 Cb 1.19 1.19 -0.00 0.00 0.47 0.00 0.00 36.82 39.67 1s5g h ILE 106 CO 0.62 0.15 0.08 -0.33 -3.07 0.00 0.00 178.15 175.60 1s5g h GLU 107 N -0.75 0.00 0.42 2.19 4.39 -1.95 -2.12 114.58 116.76 1s5g h GLU 107 Ca -0.03 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1s5g h GLU 107 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1s5g h GLU 107 CO 0.05 0.00 -0.20 -0.92 -1.16 0.00 0.00 179.01 176.78 1s5g h TYR 108 N 0.00 -0.52 -0.98 4.33 3.20 -1.94 -0.94 116.97 120.12 1s5g h TYR 108 Ca 0.04 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.94 1s5g h TYR 108 Cb 0.20 0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 1s5g h TYR 108 CO 0.00 -0.23 0.64 0.97 -1.64 0.00 0.00 178.16 177.90 1s5g h ILE 109 N -1.06 1.15 0.17 1.81 6.09 -1.35 0.31 117.51 124.63 1s5g h ILE 109 Ca -0.06 -0.42 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 1s5g h ILE 109 Cb 0.52 -0.18 -0.01 0.00 0.47 0.00 0.00 36.82 37.62 1s5g h ILE 109 CO 0.09 0.22 -0.14 0.11 -3.07 0.00 0.00 178.15 175.37 1s5g h LYS 110 N 1.22 -0.32 -0.48 2.19 1.57 -1.43 0.22 116.57 119.55 1s5g h LYS 110 Ca 0.40 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.25 1s5g h LYS 110 Cb 0.04 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 1s5g h LYS 110 CO -0.14 -0.21 0.22 0.22 -0.57 0.00 0.00 179.45 178.98 1s5g h ASP 111 N -0.33 0.30 -0.78 0.86 1.82 -0.57 0.10 116.42 117.83 1s5g h ASP 111 Ca -0.00 0.03 0.12 0.00 -0.39 0.00 0.00 57.03 56.79 1s5g h ASP 111 Cb 0.30 -0.02 -0.08 0.00 0.68 0.00 0.00 39.33 40.21 1s5g h ASP 111 CO -0.02 0.21 0.39 -0.07 -1.61 0.00 0.00 179.24 178.14 1s5g h LEU 112 N 0.44 0.49 0.13 2.28 3.38 0.39 -0.19 115.31 122.22 1s5g h LEU 112 Ca 0.21 0.08 -0.29 0.00 0.09 0.00 0.00 57.88 57.97 1s5g h LEU 112 Cb 0.15 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1s5g h LEU 112 CO -0.17 0.24 -1.35 -0.07 0.09 0.00 0.00 178.44 177.19 1s5g h LEU 113 N 0.61 0.43 0.12 1.67 3.38 0.09 -3.23 115.31 118.39 1s5g h LEU 113 Ca 0.40 -0.50 -0.29 0.00 0.09 0.00 0.00 57.88 57.58 1s5g h LEU 113 Cb 0.49 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1s5g h LEU 113 CO -0.31 1.40 -1.43 -0.08 0.09 0.00 0.00 178.44 178.10 1s5g h GLU 114 N 0.07 0.26 -0.15 1.13 4.81 -0.59 -1.22 114.58 118.89 1s5g h GLU 114 Ca -0.18 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.61 1s5g h GLU 114 Cb 2.00 0.17 0.00 0.00 0.63 0.00 0.00 28.75 31.54 1s5g h GLU 114 CO 0.19 1.15 0.00 0.09 -0.73 0.00 0.00 179.01 179.71 1s5g n ASN 115 N -3.48 2.27 -4.24 1.04 5.03 -0.10 -3.97 115.26 111.81 1s5g n ASN 115 Ca -0.14 -1.70 -0.14 0.00 0.87 0.00 0.00 54.58 53.48 1s5g n ASN 115 Cb 1.04 -0.10 -0.10 0.00 -1.02 0.00 0.00 39.78 39.60 1s5g n ASN 115 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1s5g s MET 116 N -0.88 1.25 6.35 3.52 -1.94 -1.22 -4.95 119.30 121.43 1s5g s MET 116 Ca 0.15 -1.66 0.00 0.00 -1.71 0.00 0.00 55.69 52.47 1s5g s MET 116 Cb 0.09 0.03 0.00 0.00 2.01 0.00 0.00 34.83 36.95 1s5g s MET 116 CO 0.12 -0.33 0.00 0.41 -0.01 0.00 0.00 175.02 175.22 1s5g n GLY 117 N -0.33 2.95 2.74 -0.03 0.00 -1.26 -2.95 105.19 106.31 1s5g n GLY 117 Ca 0.00 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1s5g n GLY 117 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s5g n ASP 118 N 2.22 6.70 0.00 1.61 9.92 -1.26 -4.98 116.55 130.76 1s5g n ASP 118 Ca 0.00 -3.31 0.00 0.00 -0.53 0.00 0.00 54.79 50.95 1s5g n ASP 118 Cb 0.00 -1.33 0.00 0.00 -0.64 0.00 0.00 41.12 39.15 1s5g n ASP 118 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1s5g n ASN 119 N 1.86 0.00 -4.80 -2.24 3.02 -1.15 -4.89 115.26 107.06 1s5g n ASN 119 Ca 0.44 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.67 1s5g n ASN 119 Cb 0.30 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.49 1s5g n ASN 119 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1s5g s PHE 120 N 0.00 2.91 0.26 3.10 0.40 -0.46 -4.99 117.98 119.20 1s5g s PHE 120 Ca 0.00 1.51 0.06 0.00 -0.60 0.00 0.00 56.93 57.90 1s5g s PHE 120 Cb 0.00 -3.03 -0.03 0.00 0.51 0.00 0.00 43.02 40.47 1s5g s PHE 120 CO 0.00 -1.26 0.33 0.54 0.70 0.00 0.00 175.22 175.53 1s5g s ASN 121 N -2.83 6.05 0.31 1.36 2.20 -1.26 -4.72 114.94 116.05 1s5g s ASN 121 Ca 0.64 -0.06 0.21 0.00 -0.94 0.00 0.00 52.86 52.71 1s5g s ASN 121 Cb -0.17 -1.65 1.06 0.00 -2.00 0.00 0.00 41.25 38.49 1s5g s ASN 121 CO 0.40 -0.11 1.15 0.29 -2.94 0.00 0.00 177.10 175.88 1s5g n LYS 122 N -1.38 -0.03 0.01 3.55 4.01 -1.26 -1.57 118.16 121.49 1s5g n LYS 122 Ca -0.08 0.95 -0.02 0.00 -0.51 0.00 0.00 58.31 58.66 1s5g n LYS 122 Cb 0.57 -1.81 -0.01 0.00 -0.51 0.00 0.00 35.03 33.27 1s5g n LYS 122 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 1s5g h ASP 123 N 0.00 -0.11 -1.15 4.39 3.32 -1.98 -2.12 116.42 118.77 1s5g h ASP 123 Ca 0.64 0.00 0.33 0.00 0.02 0.00 0.00 57.03 58.02 1s5g h ASP 123 Cb 1.93 0.03 -0.10 0.00 0.22 0.00 0.00 39.33 41.41 1s5g h ASP 123 CO -0.42 0.30 0.75 -0.33 -1.72 0.00 0.00 179.24 177.82 1s5g h GLU 124 N -0.88 0.25 0.40 3.56 5.08 -1.68 0.61 114.58 121.92 1s5g h GLU 124 Ca -0.01 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1s5g h GLU 124 Cb 0.10 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1s5g h GLU 124 CO 0.02 0.17 -0.19 0.52 -1.00 0.00 0.00 179.01 178.52 1s5g h MET 125 N 0.26 -0.52 -1.25 2.33 2.86 -1.38 0.17 114.93 117.39 1s5g h MET 125 Ca 0.68 0.04 0.40 0.00 -2.06 0.00 0.00 59.70 58.75 1s5g h MET 125 Cb 1.94 0.12 -0.12 0.00 0.06 0.00 0.00 31.60 33.59 1s5g h MET 125 CO -0.33 -0.35 0.80 -0.09 1.06 0.00 0.00 176.91 178.01 1s5g h ARG 126 N -0.69 0.14 0.07 1.72 2.43 0.03 0.14 114.38 118.22 1s5g h ARG 126 Ca -0.05 -0.01 -0.27 0.00 -0.81 0.00 0.00 59.98 58.84 1s5g h ARG 126 Cb 0.41 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1s5g h ARG 126 CO 0.09 0.09 -1.32 0.52 -1.51 0.00 0.00 179.97 177.84 1s5g h MET 127 N 0.14 0.16 -0.11 0.20 2.86 0.20 -3.15 114.93 115.23 1s5g h MET 127 Ca 0.78 -0.27 -0.19 0.00 -2.06 0.00 0.00 59.70 57.96 1s5g h MET 127 Cb 2.35 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 34.11 1s5g h MET 127 CO -0.41 1.04 -0.72 1.15 1.06 0.00 0.00 176.91 179.03 1s5g h THR 128 N 0.04 1.34 -0.00 2.22 2.02 0.22 -3.24 112.91 115.51 1s5g h THR 128 Ca -0.15 -2.06 0.00 0.00 0.77 0.00 0.00 66.41 64.97 1s5g h THR 128 Cb 1.93 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 70.38 1s5g h THR 128 CO 0.15 0.63 -0.42 0.49 0.37 0.00 0.00 175.52 176.75 1s5g n PHE 129 N -3.88 0.00 -0.35 3.16 3.01 -0.86 -3.75 117.46 114.79 1s5g n PHE 129 Ca -0.05 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.51 1s5g n PHE 129 Cb 0.71 -0.22 0.28 0.00 -0.01 0.00 0.00 39.48 40.24 1s5g n PHE 129 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1s5g h LYS 130 N 0.34 0.80 0.00 -1.08 3.64 -1.57 -2.59 116.57 116.10 1s5g h LYS 130 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1s5g h LYS 130 Cb 0.50 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1s5g h LYS 130 CO 0.00 0.53 -0.02 -1.91 -2.27 0.00 0.00 179.45 175.78 1s5g n GLU 131 N -4.73 1.33 -2.48 1.90 4.07 -1.26 -5.06 120.64 114.41 1s5g n GLU 131 Ca 0.21 -2.42 -0.40 0.00 -0.06 0.00 0.00 57.16 54.48 1s5g n GLU 131 Cb 0.48 -1.42 -0.04 0.00 -0.06 0.00 0.00 31.44 30.40 1s5g n GLU 131 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1s5g s ALA 132 N -2.61 3.40 -0.65 4.31 0.00 -0.98 -4.98 121.76 120.26 1s5g s ALA 132 Ca 0.28 0.88 -0.27 0.00 0.00 0.00 0.00 51.96 52.85 1s5g s ALA 132 Cb 0.25 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 20.04 1s5g s ALA 132 CO 0.03 -0.17 1.50 -1.25 0.00 0.00 0.00 175.76 175.87 1s5g s PRO 133 N -1.19 3.05 -0.14 0.00 0.04 -1.26 -4.98 135.00 130.52 1s5g s PRO 133 Ca 0.46 0.23 -0.01 0.00 0.04 0.00 0.00 61.00 61.71 1s5g s PRO 133 Cb -0.31 -4.23 0.04 0.00 0.04 0.00 0.00 34.50 30.03 1s5g s PRO 133 CO 0.40 -2.27 -0.03 0.08 0.04 0.00 0.00 177.00 175.21 1s5g s VAL 134 N 6.87 0.82 -0.12 -0.36 1.01 -1.26 -2.40 120.40 124.96 1s5g s VAL 134 Ca 0.50 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.13 1s5g s VAL 134 Cb -0.10 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 1s5g s VAL 134 CO 0.20 0.16 -0.17 -1.83 0.00 0.00 0.00 175.10 173.46 1s5g s GLU 135 N 1.77 3.25 -1.52 2.72 -1.05 -0.80 -4.78 118.70 118.29 1s5g s GLU 135 Ca 0.02 -0.76 -0.02 0.00 -0.15 0.00 0.00 54.97 54.06 1s5g s GLU 135 Cb -0.14 -2.52 0.00 0.00 -0.44 0.00 0.00 34.13 31.03 1s5g s GLU 135 CO -0.07 0.18 0.04 0.41 0.95 0.00 0.00 175.26 176.77 1s5g n GLY 136 N 3.59 -0.17 2.48 -3.83 0.00 -1.26 -1.29 105.19 104.72 1s5g n GLY 136 Ca -0.19 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s5g n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s5g n GLY 137 N -2.55 2.98 3.78 -0.02 0.00 -1.26 -5.02 105.19 103.10 1s5g n GLY 137 Ca -0.31 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 1s5g n GLY 137 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s5g s LYS 138 N -0.22 4.08 -0.28 1.61 0.00 -0.41 -1.08 119.74 123.44 1s5g s LYS 138 Ca 0.00 0.29 -0.12 0.00 0.00 0.00 0.00 55.97 56.14 1s5g s LYS 138 Cb 0.00 -3.33 -0.05 0.00 0.00 0.00 0.00 37.83 34.45 1s5g s LYS 138 CO 0.00 0.44 0.21 0.12 0.00 0.00 0.00 175.35 176.13 1s5g s PHE 139 N -0.23 3.23 -0.56 1.78 5.36 0.29 -1.90 117.98 125.96 1s5g s PHE 139 Ca 0.21 0.17 -0.24 0.00 -0.96 0.00 0.00 56.93 56.11 1s5g s PHE 139 Cb -0.15 -2.40 0.04 0.00 -0.34 0.00 0.00 43.02 40.17 1s5g s PHE 139 CO 0.09 -0.15 0.97 0.34 -1.46 0.00 0.00 175.22 175.00 1s5g s ASP 140 N 1.70 6.34 0.45 6.13 -1.08 -1.01 -2.11 116.67 127.09 1s5g s ASP 140 Ca 0.08 -0.33 0.26 0.00 -0.52 0.00 0.00 52.55 52.04 1s5g s ASP 140 Cb -0.16 -2.45 0.66 0.00 -1.46 0.00 0.00 42.92 39.51 1s5g s ASP 140 CO 0.10 -1.26 1.72 0.10 0.52 0.00 0.00 175.17 176.36 1s5g h TYR 141 N 9.34 0.00 0.40 -5.34 -0.00 -1.91 -0.15 116.97 119.31 1s5g h TYR 141 Ca -0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.45 1s5g h TYR 141 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.81 1s5g h TYR 141 CO 0.93 0.00 -0.19 0.28 -0.00 0.00 0.00 178.16 179.17 1s5g h VAL 142 N 0.00 0.00 -0.46 -0.90 2.07 -1.90 0.86 116.25 115.92 1s5g h VAL 142 Ca 0.00 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.15 1s5g h VAL 142 Cb 0.84 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1s5g h VAL 142 CO 0.00 0.00 0.28 0.50 0.02 0.00 0.00 177.57 178.37 1s5g h LYS 143 N -0.92 0.54 -0.73 1.57 3.64 -1.94 -1.32 116.57 117.41 1s5g h LYS 143 Ca -0.05 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.39 1s5g h LYS 143 Cb 0.41 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.03 1s5g h LYS 143 CO 0.09 0.36 0.37 0.35 -2.27 0.00 0.00 179.45 178.35 1s5g h PHE 144 N 0.56 0.67 -0.64 1.91 3.04 -1.09 -1.66 116.94 119.74 1s5g h PHE 144 Ca 0.18 0.03 0.10 0.00 3.98 0.00 0.00 57.97 62.26 1s5g h PHE 144 Cb 0.00 -0.19 -0.08 0.00 2.56 0.00 0.00 35.95 38.24 1s5g h PHE 144 CO -0.06 0.25 0.25 1.15 -2.02 0.00 0.00 178.31 177.87 1s5g h THR 145 N 0.63 0.76 -0.41 4.41 2.02 0.33 -2.11 112.91 118.54 1s5g h THR 145 Ca 0.36 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.39 1s5g h THR 145 Cb 0.36 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1s5g h THR 145 CO -0.26 0.08 0.27 0.00 0.37 0.00 0.00 175.52 175.98 1s5g h ALA 146 N 1.44 0.52 -0.34 6.16 0.00 -0.83 -2.04 119.26 124.17 1s5g h ALA 146 Ca 0.32 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.28 1s5g h ALA 146 Cb 0.41 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 1s5g h ALA 146 CO -0.32 -0.02 -0.28 1.98 0.00 0.00 0.00 179.25 180.61 1s5g h MET 147 N 0.56 -0.24 0.00 0.00 -1.53 -1.04 0.23 114.93 112.91 1s5g h MET 147 Ca 0.15 0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.43 1s5g h MET 147 Cb -0.06 0.05 0.00 0.00 -0.55 0.00 0.00 31.60 31.04 1s5g h MET 147 CO -0.03 -0.16 0.00 0.82 0.14 0.00 0.00 176.91 177.68 1s5g h ILE 148 N -0.24 0.00 -0.07 1.77 1.08 -1.02 -2.99 117.51 116.04 1s5g h ILE 148 Ca 0.16 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.56 1s5g h ILE 148 Cb 0.50 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 1s5g h ILE 148 CO -0.48 0.00 0.00 0.29 -0.69 0.00 0.00 178.15 177.27 1s5g n LYS 149 N -2.47 2.11 -0.99 2.37 4.76 0.72 -4.98 118.16 119.68 1s5g n LYS 149 Ca -0.01 -2.30 0.00 0.00 -2.87 0.00 0.00 58.31 53.13 1s5g n LYS 149 Cb 0.09 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 1s5g n LYS 149 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s5g n GLY 150 N -0.90 0.28 0.08 0.72 0.00 -0.67 -4.81 105.19 99.90 1s5g n GLY 150 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1s5g n GLY 150 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s5g n SER 151 N -0.43 0.73 0.00 1.61 2.88 -0.94 -4.86 113.62 112.60 1s5g n SER 151 Ca 0.00 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1s5g n SER 151 Cb 0.22 0.54 0.00 0.00 -0.75 0.00 0.00 64.21 64.22 1s5g n SER 151 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s5g n GLY 152 N 1.25 4.70 2.93 0.46 0.00 -1.05 -4.92 105.19 108.55 1s5g n GLY 152 Ca 0.01 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 1s5g n GLY 152 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s5g s GLU 153 N 4.09 0.18 0.00 1.61 0.41 -1.26 -4.83 118.70 118.89 1s5g s GLU 153 Ca 0.00 -0.24 0.31 0.00 -0.41 0.00 0.00 54.97 54.63 1s5g s GLU 153 Cb 0.00 -0.05 1.69 0.00 -1.78 0.00 0.00 34.13 34.00 1s5g s GLU 153 CO 0.00 0.01 2.11 0.39 -0.49 0.00 0.00 175.26 177.27