#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1g s LYS 2 N 0.00 4.07 0.04 0.03 1.02 -1.26 -4.53 119.74 119.11 3h1g s LYS 2 Ca 0.00 1.18 0.03 0.00 0.02 0.00 0.00 55.97 57.20 3h1g s LYS 2 Cb 0.00 -3.75 -0.04 0.00 -0.52 0.00 0.00 37.83 33.52 3h1g s LYS 2 CO 0.00 -0.90 0.01 -0.51 -0.92 0.00 0.00 175.35 173.04 3h1g s LEU 3 N 3.72 3.55 -0.12 3.17 1.43 -0.46 -0.41 118.68 129.55 3h1g s LEU 3 Ca 0.48 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.55 3h1g s LEU 3 Cb -0.14 -2.15 0.01 0.00 0.03 0.00 0.00 46.19 43.94 3h1g s LEU 3 CO 0.16 0.23 -0.22 -0.22 0.23 0.00 0.00 176.35 176.53 3h1g s LEU 4 N -1.93 2.06 -0.18 1.79 2.96 -0.60 -0.74 118.68 122.04 3h1g s LEU 4 Ca 0.23 -0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 53.56 3h1g s LEU 4 Cb -0.12 -1.39 -0.00 0.00 0.50 0.00 0.00 46.19 45.18 3h1g s LEU 4 CO 0.15 0.10 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.46 3h1g s VAL 5 N 0.69 2.81 -0.20 1.68 1.01 0.37 -0.65 120.40 126.11 3h1g s VAL 5 Ca -0.11 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3h1g s VAL 5 Cb -0.16 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 34.03 3h1g s VAL 5 CO 0.01 0.49 -0.16 -0.69 0.00 0.00 0.00 175.10 174.76 3h1g s VAL 6 N 1.12 1.98 -0.27 2.92 1.01 0.94 -0.62 120.40 127.48 3h1g s VAL 6 Ca 0.01 -1.11 -0.22 0.00 0.00 0.00 0.00 61.98 60.67 3h1g s VAL 6 Cb -0.14 -1.91 0.07 0.00 0.00 0.00 0.00 36.38 34.40 3h1g s VAL 6 CO -0.04 0.33 0.71 -0.62 0.00 0.00 0.00 175.10 175.48 3h1g s ASP 7 N 1.28 -0.82 0.00 3.32 -1.08 -0.59 -1.04 116.67 117.74 3h1g s ASP 7 Ca 0.00 1.47 0.30 0.00 -0.52 0.00 0.00 52.55 53.80 3h1g s ASP 7 Cb -0.15 1.43 1.56 0.00 -1.46 0.00 0.00 42.92 44.30 3h1g s ASP 7 CO -0.10 -0.24 2.05 -0.90 0.52 0.00 0.00 175.17 176.49 3h1g n ASP 8 N 3.29 0.30 -4.64 -0.34 5.75 -1.11 -4.27 116.55 115.54 3h1g n ASP 8 Ca -0.16 -0.80 -0.39 0.00 -0.01 0.00 0.00 54.79 53.43 3h1g n ASP 8 Cb 0.56 -0.07 -0.08 0.00 -1.03 0.00 0.00 41.12 40.51 3h1g n ASP 8 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3h1g s SER 9 N -2.22 6.41 0.20 -1.12 0.15 -1.26 -4.97 113.70 110.88 3h1g s SER 9 Ca 0.38 0.49 -0.06 0.00 0.70 0.00 0.00 55.95 57.47 3h1g s SER 9 Cb 0.21 -2.25 0.13 0.00 -1.71 0.00 0.00 66.02 62.40 3h1g s SER 9 CO 0.41 -0.18 1.59 0.77 1.20 0.00 0.00 173.24 177.03 3h1g h SER 10 N 7.77 0.84 -0.48 5.45 4.64 -2.00 -1.49 113.55 128.27 3h1g h SER 10 Ca -0.32 -0.32 -0.13 0.00 -0.47 0.00 0.00 61.79 60.54 3h1g h SER 10 Cb 1.15 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 3h1g h SER 10 CO 0.70 1.05 -0.23 0.71 -0.87 0.00 0.00 176.83 178.20 3h1g h THR 11 N 0.70 1.27 -0.59 2.95 1.35 -1.98 -1.95 112.91 114.66 3h1g h THR 11 Ca 0.09 -1.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.55 3h1g h THR 11 Cb 0.80 1.14 -0.03 0.00 -1.73 0.00 0.00 68.15 68.33 3h1g h THR 11 CO 0.07 0.48 0.38 -0.03 -0.25 0.00 0.00 175.52 176.17 3h1g h MET 12 N 0.86 0.79 -0.91 4.72 -1.53 -1.95 -1.02 114.93 115.89 3h1g h MET 12 Ca 0.11 -0.06 0.07 0.00 -3.44 0.00 0.00 59.70 56.38 3h1g h MET 12 Cb 0.81 -0.17 -0.07 0.00 -0.55 0.00 0.00 31.60 31.62 3h1g h MET 12 CO 0.07 0.54 0.57 0.00 0.14 0.00 0.00 176.91 178.23 3h1g h ARG 13 N 0.80 1.00 -0.12 0.39 3.08 -1.05 0.42 114.38 118.90 3h1g h ARG 13 Ca 0.22 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 3h1g h ARG 13 Cb -0.07 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.75 3h1g h ARG 13 CO -0.04 0.66 0.06 -0.09 -1.07 0.00 0.00 179.97 179.48 3h1g h ARG 14 N 1.03 0.17 -0.38 0.04 2.43 -0.97 0.01 114.38 116.71 3h1g h ARG 14 Ca 0.40 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 3h1g h ARG 14 Cb 0.20 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3h1g h ARG 14 CO -0.18 0.24 0.25 0.82 -1.51 0.00 0.00 179.97 179.58 3h1g h ILE 15 N 0.06 1.10 -0.26 1.20 2.04 -0.71 0.34 117.51 121.29 3h1g h ILE 15 Ca 0.04 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3h1g h ILE 15 Cb 0.13 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3h1g h ILE 15 CO -0.00 0.10 0.03 0.40 0.00 0.00 0.00 178.15 178.68 3h1g h ILE 16 N 0.51 1.24 -0.62 -0.67 2.04 -0.82 -0.58 117.51 118.61 3h1g h ILE 16 Ca 0.14 -0.81 -0.07 0.00 1.00 0.00 0.00 64.86 65.11 3h1g h ILE 16 Cb -0.05 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 3h1g h ILE 16 CO -0.03 0.26 0.11 0.50 0.00 0.00 0.00 178.15 178.99 3h1g h LYS 17 N 0.25 1.02 -0.79 2.37 3.64 -0.81 -0.20 116.57 122.05 3h1g h LYS 17 Ca 0.08 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 3h1g h LYS 17 Cb 0.35 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 3h1g h LYS 17 CO 0.01 0.95 0.40 -0.97 -2.27 0.00 0.00 179.45 177.56 3h1g h ASN 18 N 0.93 1.02 -0.42 4.20 -1.24 -0.87 -1.54 115.58 117.65 3h1g h ASN 18 Ca 0.19 -0.12 -0.04 0.00 0.71 0.00 0.00 56.30 57.03 3h1g h ASN 18 Cb 0.42 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.19 3h1g h ASN 18 CO 0.01 0.85 0.09 0.74 -1.29 0.00 0.00 177.43 177.83 3h1g h THR 19 N 1.11 1.24 -0.84 -3.57 2.02 -0.58 -1.26 112.91 111.03 3h1g h THR 19 Ca 0.27 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 3h1g h THR 19 Cb 0.09 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 3h1g h THR 19 CO -0.04 0.29 0.45 -0.07 0.37 0.00 0.00 175.52 176.53 3h1g h LEU 20 N 0.55 1.04 -0.58 2.58 3.38 -0.88 -2.36 115.31 119.04 3h1g h LEU 20 Ca 0.13 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3h1g h LEU 20 Cb 0.34 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3h1g h LEU 20 CO 0.00 0.84 0.37 -1.28 0.09 0.00 0.00 178.44 178.47 3h1g h SER 21 N 1.17 0.68 -0.50 -0.43 0.87 -0.98 0.17 113.55 114.53 3h1g h SER 21 Ca 0.29 -0.03 0.10 0.00 -1.23 0.00 0.00 61.79 60.92 3h1g h SER 21 Cb 0.03 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 3h1g h SER 21 CO -0.05 0.51 0.34 0.03 -0.53 0.00 0.00 176.83 177.13 3h1g h ARG 22 N 0.79 0.22 -0.09 2.24 3.08 -0.75 -0.54 114.38 119.31 3h1g h ARG 22 Ca 0.21 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3h1g h ARG 22 Cb -0.06 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 29.94 3h1g h ARG 22 CO -0.04 0.15 0.00 1.28 -1.07 0.00 0.00 179.97 180.28 3h1g n LEU 23 N -4.45 1.72 0.00 3.04 4.77 -0.62 -4.92 117.00 116.54 3h1g n LEU 23 Ca 0.08 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 3h1g n LEU 23 Cb 0.41 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3h1g n LEU 23 CO 0.35 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 3h1g n GLY 24 N 1.18 0.68 3.33 -0.72 0.00 -0.21 -0.39 105.19 109.05 3h1g n GLY 24 Ca 0.18 -0.36 -0.46 0.00 0.00 0.00 0.00 46.02 45.38 3h1g n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h1g s TYR 25 N -2.00 3.19 -0.89 1.61 1.51 0.48 -4.34 117.35 116.92 3h1g s TYR 25 Ca 0.00 -1.19 0.14 0.00 -1.01 0.00 0.00 57.07 55.01 3h1g s TYR 25 Cb 0.00 -3.82 -0.10 0.00 -0.11 0.00 0.00 41.96 37.92 3h1g s TYR 25 CO 0.00 -1.08 0.66 0.39 -1.11 0.00 0.00 175.55 174.41 3h1g n GLU 26 N 5.51 2.19 -3.46 -0.62 -0.58 -1.26 -3.13 120.64 119.29 3h1g n GLU 26 Ca -0.13 -0.25 -0.42 0.00 -0.42 0.00 0.00 57.16 55.94 3h1g n GLU 26 Cb 0.41 -1.18 -0.03 0.00 -0.57 0.00 0.00 31.44 30.06 3h1g n GLU 26 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3h1g s ASP 27 N -2.14 6.60 -0.07 1.62 -1.08 -1.26 -5.01 116.67 115.33 3h1g s ASP 27 Ca 0.08 -3.31 0.02 0.00 -0.52 0.00 0.00 52.55 48.82 3h1g s ASP 27 Cb 0.11 -2.09 0.02 0.00 -1.46 0.00 0.00 42.92 39.49 3h1g s ASP 27 CO 0.51 -0.34 -0.11 -0.69 0.52 0.00 0.00 175.17 175.05 3h1g s VAL 28 N -0.78 1.09 0.02 1.11 1.01 -1.26 -1.35 120.40 120.24 3h1g s VAL 28 Ca 0.25 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.82 3h1g s VAL 28 Cb -0.11 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 3h1g s VAL 28 CO -0.09 0.35 -0.00 -0.22 0.00 0.00 0.00 175.10 175.14 3h1g s LEU 29 N 0.83 3.48 0.26 3.92 2.96 0.08 -4.99 118.68 125.23 3h1g s LEU 29 Ca -0.11 -0.05 0.10 0.00 -0.22 0.00 0.00 54.13 53.84 3h1g s LEU 29 Cb -0.15 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 3h1g s LEU 29 CO 0.02 0.26 -0.08 -1.61 -1.32 0.00 0.00 176.35 173.62 3h1g s GLU 30 N -1.72 2.07 -0.00 1.98 2.02 -1.26 -0.48 118.70 121.31 3h1g s GLU 30 Ca 0.21 -1.52 -0.08 0.00 0.02 0.00 0.00 54.97 53.60 3h1g s GLU 30 Cb -0.12 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 32.08 3h1g s GLU 30 CO 0.12 0.36 0.16 0.00 0.02 0.00 0.00 175.26 175.92 3h1g s ALA 31 N -2.32 -0.40 -0.08 5.21 0.00 0.21 -4.87 121.76 119.51 3h1g s ALA 31 Ca 0.30 -0.05 0.11 0.00 0.00 0.00 0.00 51.96 52.32 3h1g s ALA 31 Cb -0.06 0.10 -0.24 0.00 0.00 0.00 0.00 23.12 22.92 3h1g s ALA 31 CO 0.18 -0.21 0.53 0.39 0.00 0.00 0.00 175.76 176.65 3h1g n GLU 32 N 1.46 0.65 -4.23 0.00 1.02 -1.26 -1.54 120.64 116.74 3h1g n GLU 32 Ca -0.22 0.25 -0.13 0.00 -0.02 0.00 0.00 57.16 57.03 3h1g n GLU 32 Cb 0.56 -1.74 -0.10 0.00 -0.02 0.00 0.00 31.44 30.13 3h1g n GLU 32 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3h1g s HIS 33 N -2.58 1.18 0.21 -0.32 3.76 -1.26 -2.75 115.29 113.53 3h1g s HIS 33 Ca -0.08 -1.12 -0.08 0.00 -0.15 0.00 0.00 55.06 53.63 3h1g s HIS 33 Cb 0.08 -0.67 0.16 0.00 1.11 0.00 0.00 32.58 33.26 3h1g s HIS 33 CO 0.82 -0.34 1.80 0.78 -0.85 0.00 0.00 174.74 176.95 3h1g h GLY 34 N 2.68 1.23 0.53 -2.22 0.00 -0.75 -1.95 103.07 102.58 3h1g h GLY 34 Ca -0.37 -0.62 0.07 0.00 0.00 0.00 0.00 47.33 46.42 3h1g h GLY 34 CO 0.61 0.59 0.19 -2.08 0.00 0.00 0.00 176.54 175.84 3h1g h VAL 35 N 1.13 0.83 -0.45 4.60 2.07 -1.16 0.49 116.25 123.76 3h1g h VAL 35 Ca 0.27 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 67.56 3h1g h VAL 35 Cb 0.13 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3h1g h VAL 35 CO -0.03 0.07 -0.15 -0.08 0.02 0.00 0.00 177.57 177.40 3h1g h GLU 36 N 0.37 0.89 -0.29 1.57 4.81 -1.79 -1.79 114.58 118.35 3h1g h GLU 36 Ca 0.25 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3h1g h GLU 36 Cb 0.26 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3h1g h GLU 36 CO -0.25 1.01 0.19 0.00 -0.73 0.00 0.00 179.01 179.23 3h1g h ALA 37 N 0.86 0.37 -0.34 2.92 0.00 -0.93 -1.88 119.26 120.26 3h1g h ALA 37 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3h1g h ALA 37 Cb 0.70 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3h1g h ALA 37 CO 0.05 -0.15 0.22 2.35 0.00 0.00 0.00 179.25 181.73 3h1g h TRP 38 N 0.38 0.43 -0.53 0.00 2.91 -0.67 -0.28 115.95 118.20 3h1g h TRP 38 Ca 0.11 0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.21 3h1g h TRP 38 Cb -0.02 -0.14 -0.06 0.00 -0.51 0.00 0.00 29.16 28.43 3h1g h TRP 38 CO -0.05 0.28 0.19 1.49 -1.03 0.00 0.00 178.44 179.32 3h1g h GLU 39 N 0.45 0.36 -0.54 2.65 4.22 -1.25 0.34 114.58 120.82 3h1g h GLU 39 Ca 0.12 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.51 3h1g h GLU 39 Cb -0.04 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3h1g h GLU 39 CO -0.03 0.24 0.20 0.87 -2.18 0.00 0.00 179.01 178.12 3h1g h LYS 40 N 0.37 0.82 -0.27 1.92 1.57 -0.80 -1.17 116.57 119.01 3h1g h LYS 40 Ca 0.25 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3h1g h LYS 40 Cb 0.28 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3h1g h LYS 40 CO -0.26 0.73 0.07 -0.07 -0.57 0.00 0.00 179.45 179.35 3h1g h LEU 41 N 0.74 0.41 -1.35 2.94 3.38 -0.50 0.97 115.31 121.90 3h1g h LEU 41 Ca 0.18 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3h1g h LEU 41 Cb 0.22 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3h1g h LEU 41 CO -0.01 0.53 0.07 -0.78 0.09 0.00 0.00 178.44 178.34 3h1g h ASP 42 N 0.27 0.47 0.60 -0.43 3.58 -0.11 -1.87 116.42 118.92 3h1g h ASP 42 Ca 0.09 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.47 3h1g h ASP 42 Cb 0.27 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.20 3h1g h ASP 42 CO 0.00 0.48 -0.54 0.00 -2.88 0.00 0.00 179.24 176.30 3h1g n ALA 43 N -2.48 3.36 -3.23 -0.78 0.00 -0.46 -4.39 120.51 112.53 3h1g n ALA 43 Ca 0.02 -0.32 -0.25 0.00 0.00 0.00 0.00 53.44 52.89 3h1g n ALA 43 Cb 0.19 -1.14 -0.07 0.00 0.00 0.00 0.00 19.45 18.43 3h1g n ALA 43 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h1g n ASN 44 N -1.66 0.53 0.00 0.00 4.13 0.32 -4.95 115.26 113.62 3h1g n ASN 44 Ca 0.05 -2.75 0.10 0.00 1.68 0.00 0.00 54.58 53.66 3h1g n ASN 44 Cb 0.36 -0.64 0.59 0.00 -1.54 0.00 0.00 39.78 38.55 3h1g n ASN 44 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3h1g n ALA 45 N 1.45 2.23 1.24 5.41 0.00 -1.03 -1.55 120.51 128.26 3h1g n ALA 45 Ca 0.23 -0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.69 3h1g n ALA 45 Cb 0.51 -1.33 0.70 0.00 0.00 0.00 0.00 19.45 19.33 3h1g n ALA 45 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3h1g n ASP 46 N -1.03 0.00 -4.63 0.00 5.75 -1.26 -4.89 116.55 110.49 3h1g n ASP 46 Ca 0.14 0.13 -0.46 0.00 -0.01 0.00 0.00 54.79 54.60 3h1g n ASP 46 Cb 0.08 -0.38 -0.03 0.00 -1.03 0.00 0.00 41.12 39.76 3h1g n ASP 46 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3h1g n THR 47 N -1.38 1.08 -0.10 2.12 -1.04 -0.59 -4.75 114.28 109.62 3h1g n THR 47 Ca 0.11 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.05 61.71 3h1g n THR 47 Cb 0.28 -1.20 -0.14 0.00 -1.82 0.00 0.00 70.33 67.45 3h1g n THR 47 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3h1g n LYS 48 N 1.73 0.67 -3.77 -2.82 4.76 0.45 -4.97 118.16 114.21 3h1g n LYS 48 Ca 0.12 0.10 -0.13 0.00 -2.87 0.00 0.00 58.31 55.53 3h1g n LYS 48 Cb 0.29 -1.55 -0.14 0.00 -1.84 0.00 0.00 35.03 31.79 3h1g n LYS 48 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3h1g s VAL 49 N -2.51 -0.04 -0.22 -0.18 1.01 -1.14 -3.98 120.40 113.33 3h1g s VAL 49 Ca -0.22 0.15 -0.10 0.00 0.00 0.00 0.00 61.98 61.81 3h1g s VAL 49 Cb 0.08 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 36.20 3h1g s VAL 49 CO 0.72 0.06 0.14 -0.22 0.00 0.00 0.00 175.10 175.80 3h1g s LEU 50 N 0.95 4.10 -0.18 3.92 2.96 -0.54 -1.56 118.68 128.34 3h1g s LEU 50 Ca -0.07 0.14 -0.00 0.00 -0.22 0.00 0.00 54.13 53.97 3h1g s LEU 50 Cb -0.10 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.52 3h1g s LEU 50 CO -0.05 0.11 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.31 3h1g s ILE 51 N 0.80 2.49 0.02 6.68 1.01 0.18 -0.86 121.20 131.52 3h1g s ILE 51 Ca 0.07 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 3h1g s ILE 51 Cb -0.13 -2.07 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 3h1g s ILE 51 CO 0.02 0.51 0.05 0.28 0.00 0.00 0.00 174.94 175.80 3h1g s THR 52 N 1.18 0.12 0.02 2.92 -1.32 -0.16 -0.04 115.64 118.36 3h1g s THR 52 Ca 0.02 -0.96 -0.00 0.00 -1.21 0.00 0.00 61.69 59.54 3h1g s THR 52 Cb -0.14 -0.57 0.00 0.00 -1.51 0.00 0.00 72.50 70.28 3h1g s THR 52 CO -0.07 -0.53 0.02 -0.90 -2.21 0.00 0.00 174.62 170.94 3h1g n ASP 53 N 1.22 0.02 -0.00 8.08 5.75 -0.20 -0.87 116.55 130.55 3h1g n ASP 53 Ca -0.22 -1.02 -0.00 0.00 -0.01 0.00 0.00 54.79 53.54 3h1g n ASP 53 Cb 0.56 -0.02 -0.00 0.00 -1.03 0.00 0.00 41.12 40.64 3h1g n ASP 53 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 3h1g n TRP 54 N -1.69 0.00 -2.22 2.11 -0.00 -1.26 -3.94 117.44 110.45 3h1g n TRP 54 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.08 3h1g n TRP 54 Cb 0.01 -0.02 -0.03 0.00 -0.00 0.00 0.00 31.31 31.27 3h1g n TRP 54 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 3h1g s ASN 55 N -4.64 6.82 -0.24 5.87 0.01 -1.26 -0.23 114.94 121.27 3h1g s ASN 55 Ca -0.01 2.01 -0.28 0.00 -0.71 0.00 0.00 52.86 53.87 3h1g s ASN 55 Cb 0.00 -2.54 0.16 0.00 0.41 0.00 0.00 41.25 39.27 3h1g s ASN 55 CO 0.02 -0.80 1.18 0.00 -1.51 0.00 0.00 177.10 175.99 3h1g s MET 56 N 3.33 0.34 1.09 -0.60 0.23 -1.26 -4.76 119.30 117.66 3h1g s MET 56 Ca 0.64 0.16 -0.14 0.00 -1.03 0.00 0.00 55.69 55.32 3h1g s MET 56 Cb -0.29 0.16 0.24 0.00 -1.53 0.00 0.00 34.83 33.41 3h1g s MET 56 CO 0.24 -0.09 1.08 -2.14 -2.03 0.00 0.00 175.02 172.07 3h1g s PRO 57 N -0.72 -0.31 -1.13 3.16 0.02 -1.26 -3.77 135.00 131.00 3h1g s PRO 57 Ca 0.04 0.42 -0.03 0.00 0.02 0.00 0.00 61.00 61.45 3h1g s PRO 57 Cb -0.02 -1.66 -0.03 0.00 0.02 0.00 0.00 34.50 32.81 3h1g s PRO 57 CO -0.05 -3.21 0.96 0.39 -0.33 0.00 0.00 177.00 174.76 3h1g n GLU 58 N -4.49 -4.45 -0.97 5.54 1.02 -1.26 -4.18 120.64 111.86 3h1g n GLU 58 Ca 0.06 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 58.06 3h1g n GLU 58 Cb 0.57 -5.85 0.00 0.00 -0.02 0.00 0.00 31.44 26.14 3h1g n GLU 58 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 3h1g n MET 59 N -3.68 -0.84 -1.76 3.49 0.00 -1.26 -0.76 117.12 112.32 3h1g n MET 59 Ca -0.18 1.02 -0.30 0.00 -0.00 0.00 0.00 57.70 58.25 3h1g n MET 59 Cb 0.65 -0.90 0.08 0.00 0.00 0.00 0.00 33.22 33.05 3h1g n MET 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3h1g s ASN 60 N -0.09 4.69 0.39 6.12 2.20 -1.25 -2.08 114.94 124.93 3h1g s ASN 60 Ca 0.00 1.06 0.12 0.00 -0.94 0.00 0.00 52.86 53.10 3h1g s ASN 60 Cb 0.00 -1.73 0.78 0.00 -2.00 0.00 0.00 41.25 38.30 3h1g s ASN 60 CO 0.00 -1.81 1.87 1.23 -2.94 0.00 0.00 177.10 175.45 3h1g h GLY 61 N -0.98 0.07 0.90 0.45 0.00 -0.73 -1.71 103.07 101.07 3h1g h GLY 61 Ca -0.47 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 3h1g h GLY 61 CO 0.63 0.05 0.09 -2.00 0.00 0.00 0.00 176.54 175.31 3h1g h LEU 62 N 0.06 0.31 -0.96 3.11 5.85 -1.82 -0.44 115.31 121.41 3h1g h LEU 62 Ca 0.01 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.51 3h1g h LEU 62 Cb 0.53 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3h1g h LEU 62 CO 0.04 0.38 0.04 0.44 -0.34 0.00 0.00 178.44 179.00 3h1g h ASP 63 N 0.21 0.75 -0.35 1.25 3.32 -1.91 -1.26 116.42 118.44 3h1g h ASP 63 Ca 0.07 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3h1g h ASP 63 Cb 0.17 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3h1g h ASP 63 CO -0.01 0.80 0.22 0.25 -1.72 0.00 0.00 179.24 178.78 3h1g h LEU 64 N 0.75 0.42 -0.38 1.55 5.85 -1.20 -1.28 115.31 121.02 3h1g h LEU 64 Ca 0.15 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3h1g h LEU 64 Cb 0.40 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3h1g h LEU 64 CO 0.01 0.34 0.23 0.58 -0.34 0.00 0.00 178.44 179.26 3h1g h VAL 65 N 0.46 1.13 -0.82 1.05 2.07 -0.56 -0.68 116.25 118.90 3h1g h VAL 65 Ca 0.13 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.41 3h1g h VAL 65 Cb -0.01 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 3h1g h VAL 65 CO -0.02 0.13 0.50 0.11 0.02 0.00 0.00 177.57 178.30 3h1g h LYS 66 N 0.50 0.90 -0.35 1.57 1.57 -1.06 -0.65 116.57 119.05 3h1g h LYS 66 Ca 0.14 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 3h1g h LYS 66 Cb 0.00 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 3h1g h LYS 66 CO -0.03 0.60 -0.08 -0.22 -0.57 0.00 0.00 179.45 179.15 3h1g h LYS 67 N 0.93 0.67 0.13 3.15 3.64 -0.77 -2.45 116.57 121.87 3h1g h LYS 67 Ca 0.35 -0.26 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3h1g h LYS 67 Cb 0.14 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3h1g h LYS 67 CO -0.16 0.83 -0.26 0.28 -2.27 0.00 0.00 179.45 177.86 3h1g h VAL 68 N 0.46 0.42 0.00 2.00 2.07 -0.69 -2.83 116.25 117.67 3h1g h VAL 68 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 3h1g h VAL 68 Cb 0.59 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3h1g h VAL 68 CO 0.03 0.00 0.00 0.03 0.02 0.00 0.00 177.57 177.65 3h1g h ARG 69 N -0.48 0.00 -0.00 1.57 2.47 -1.01 -1.87 114.38 115.06 3h1g h ARG 69 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 3h1g h ARG 69 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 3h1g h ARG 69 CO -0.14 0.00 -0.41 0.43 0.56 0.00 0.00 179.97 180.40 3h1g n SER 70 N -3.00 0.49 -4.73 7.04 7.64 -0.94 -4.65 113.62 115.48 3h1g n SER 70 Ca -0.02 -0.24 -0.39 0.00 1.01 0.00 0.00 58.87 59.23 3h1g n SER 70 Cb 0.12 0.15 -0.05 0.00 -1.01 0.00 0.00 64.21 63.42 3h1g n SER 70 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3h1g s ASP 71 N -2.94 6.88 0.64 6.43 -1.08 -0.70 -4.95 116.67 120.94 3h1g s ASP 71 Ca 0.13 1.06 0.33 0.00 -0.52 0.00 0.00 52.55 53.54 3h1g s ASP 71 Cb 0.18 -2.36 1.80 0.00 -1.46 0.00 0.00 42.92 41.08 3h1g s ASP 71 CO 0.66 -0.04 2.07 0.77 0.52 0.00 0.00 175.17 179.16 3h1g h SER 72 N 6.54 0.00 1.38 -0.34 4.64 -1.88 -2.15 113.55 121.75 3h1g h SER 72 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3h1g h SER 72 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3h1g h SER 72 CO 0.74 0.00 -0.35 0.03 -0.87 0.00 0.00 176.83 176.38 3h1g h ARG 73 N 0.00 0.00 0.00 4.77 3.08 -1.92 -3.37 114.38 116.94 3h1g h ARG 73 Ca 0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3h1g h ARG 73 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 3h1g h ARG 73 CO -0.00 0.00 -0.18 1.19 -1.07 0.00 0.00 179.97 179.91 3h1g n PHE 74 N -2.55 0.00 -0.08 3.04 3.72 -0.81 -4.74 117.46 116.04 3h1g n PHE 74 Ca 0.03 -0.86 0.13 0.00 -0.05 0.00 0.00 57.45 56.71 3h1g n PHE 74 Cb 0.48 -0.14 0.53 0.00 -0.94 0.00 0.00 39.48 39.41 3h1g n PHE 74 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3h1g h LYS 75 N 0.15 0.34 -0.13 -1.08 1.57 -1.72 -2.96 116.57 112.74 3h1g h LYS 75 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3h1g h LYS 75 Cb 1.10 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3h1g h LYS 75 CO 0.00 0.23 0.00 0.39 -0.57 0.00 0.00 179.45 179.50 3h1g n GLU 76 N -4.46 2.52 -2.13 3.15 -0.58 -1.26 -5.00 120.64 112.87 3h1g n GLU 76 Ca 0.10 -2.15 -0.42 0.00 -0.42 0.00 0.00 57.16 54.27 3h1g n GLU 76 Cb 0.41 -1.35 -0.03 0.00 -0.57 0.00 0.00 31.44 29.91 3h1g n GLU 76 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 3h1g s ILE 77 N -1.82 3.22 0.28 -3.67 2.07 -1.12 -4.96 121.20 115.20 3h1g s ILE 77 Ca 0.21 0.87 -0.30 0.00 -1.41 0.00 0.00 60.65 60.02 3h1g s ILE 77 Cb 0.16 -3.55 -0.11 0.00 0.13 0.00 0.00 42.46 39.09 3h1g s ILE 77 CO 0.06 0.06 1.56 -2.84 -1.91 0.00 0.00 174.94 171.87 3h1g s PRO 78 N 1.18 4.16 -0.14 3.50 0.02 -1.26 -4.90 135.00 137.57 3h1g s PRO 78 Ca 0.65 2.50 0.00 0.00 0.02 0.00 0.00 61.00 64.18 3h1g s PRO 78 Cb -0.38 -3.05 0.03 0.00 0.02 0.00 0.00 34.50 31.12 3h1g s PRO 78 CO 0.30 -0.58 -0.11 0.42 -0.33 0.00 0.00 177.00 176.71 3h1g s ILE 79 N 0.02 1.33 -0.24 2.83 1.01 -1.26 -1.46 121.20 123.43 3h1g s ILE 79 Ca 0.62 -0.53 -0.07 0.00 0.00 0.00 0.00 60.65 60.68 3h1g s ILE 79 Cb -0.46 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 3h1g s ILE 79 CO 0.46 0.38 0.06 -0.63 0.00 0.00 0.00 174.94 175.21 3h1g s ILE 80 N 1.58 4.25 -0.23 2.92 1.01 -0.04 -0.91 121.20 129.78 3h1g s ILE 80 Ca 0.04 -0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.40 3h1g s ILE 80 Cb -0.13 -2.98 -0.05 0.00 0.01 0.00 0.00 42.46 39.31 3h1g s ILE 80 CO -0.09 0.35 0.14 -0.32 0.00 0.00 0.00 174.94 175.02 3h1g s MET 81 N 1.52 4.05 -0.27 2.79 1.75 -0.41 -0.99 119.30 127.75 3h1g s MET 81 Ca 0.06 -0.28 0.01 0.00 -1.25 0.00 0.00 55.69 54.23 3h1g s MET 81 Cb -0.15 -3.49 0.05 0.00 2.84 0.00 0.00 34.83 34.08 3h1g s MET 81 CO 0.03 0.08 -0.08 0.42 -0.65 0.00 0.00 175.02 174.82 3h1g s ILE 82 N 0.98 2.45 -0.02 10.11 1.01 -0.05 -0.52 121.20 135.17 3h1g s ILE 82 Ca 0.07 -1.47 -0.20 0.00 0.00 0.00 0.00 60.65 59.05 3h1g s ILE 82 Cb -0.13 -2.39 0.04 0.00 0.01 0.00 0.00 42.46 39.98 3h1g s ILE 82 CO 0.04 0.00 0.42 0.28 0.00 0.00 0.00 174.94 175.68 3h1g s THR 83 N 1.17 0.04 -1.27 2.92 -1.32 -0.50 -3.94 115.64 112.74 3h1g s THR 83 Ca -0.06 -0.34 0.22 0.00 -1.21 0.00 0.00 61.69 60.30 3h1g s THR 83 Cb -0.19 -0.75 0.31 0.00 -1.51 0.00 0.00 72.50 70.36 3h1g s THR 83 CO -0.04 -0.19 1.70 0.00 -2.21 0.00 0.00 174.62 173.88 3h1g n ALA 84 N 1.11 2.08 -2.19 11.08 0.00 -1.26 -0.53 120.51 130.80 3h1g n ALA 84 Ca -0.21 -0.09 -0.31 0.00 0.00 0.00 0.00 53.44 52.83 3h1g n ALA 84 Cb 0.57 -1.35 -0.05 0.00 0.00 0.00 0.00 19.45 18.62 3h1g n ALA 84 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3h1g s GLU 85 N -2.73 2.84 0.02 0.00 0.41 -1.26 -4.74 118.70 113.25 3h1g s GLU 85 Ca 0.17 -1.07 0.27 0.00 -0.41 0.00 0.00 54.97 53.93 3h1g s GLU 85 Cb 0.14 -5.25 0.84 0.00 -1.78 0.00 0.00 34.13 28.08 3h1g s GLU 85 CO 0.35 -3.40 1.66 0.41 -0.49 0.00 0.00 175.26 173.80 3h1g n GLY 86 N 6.11 -1.41 3.77 -1.39 0.00 -1.26 -4.64 105.19 106.36 3h1g n GLY 86 Ca 0.43 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 3h1g n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h1g s GLY 87 N -3.10 2.93 0.49 -0.02 0.00 -1.26 -4.89 107.32 101.47 3h1g s GLY 87 Ca 0.12 0.98 0.19 0.00 0.00 0.00 0.00 44.72 46.01 3h1g s GLY 87 CO 0.62 1.53 2.06 0.50 0.00 0.00 0.00 173.10 177.82 3h1g h LYS 88 N 3.07 0.00 -0.90 2.90 1.79 -1.99 -1.41 116.57 120.02 3h1g h LYS 88 Ca -0.48 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.05 3h1g h LYS 88 Cb 1.23 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.82 3h1g h LYS 88 CO 0.64 0.12 0.59 0.00 -1.08 0.00 0.00 179.45 179.72 3h1g h ALA 89 N 1.88 1.49 -0.04 3.86 0.00 -1.98 0.17 119.26 124.63 3h1g h ALA 89 Ca -0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 3h1g h ALA 89 Cb 0.24 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.77 3h1g h ALA 89 CO 0.02 0.38 -0.94 0.93 0.00 0.00 0.00 179.25 179.63 3h1g h GLU 90 N 1.05 0.67 -0.03 0.00 3.07 -1.64 -1.74 114.58 115.97 3h1g h GLU 90 Ca 0.38 -0.66 0.01 0.00 -0.50 0.00 0.00 59.36 58.59 3h1g h GLU 90 Cb 0.16 0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 3h1g h GLU 90 CO -0.14 1.26 -0.06 0.28 -1.40 0.00 0.00 179.01 178.96 3h1g h VAL 91 N 0.41 0.84 -0.52 3.13 2.07 -0.80 -1.01 116.25 120.36 3h1g h VAL 91 Ca -0.10 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.48 3h1g h VAL 91 Cb 1.59 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 3h1g h VAL 91 CO 0.18 0.00 0.23 0.40 0.02 0.00 0.00 177.57 178.40 3h1g h ILE 92 N -0.09 0.88 -0.57 4.57 2.04 -0.63 0.41 117.51 124.13 3h1g h ILE 92 Ca 0.03 -0.15 0.09 0.00 1.00 0.00 0.00 64.86 65.83 3h1g h ILE 92 Cb 0.13 0.41 -0.07 0.00 -0.74 0.00 0.00 36.82 36.55 3h1g h ILE 92 CO -0.08 0.08 0.21 0.74 0.00 0.00 0.00 178.15 179.09 3h1g h THR 93 N 0.43 0.78 -0.29 -0.27 2.02 -0.88 -1.15 112.91 113.56 3h1g h THR 93 Ca 0.24 -0.13 -0.14 0.00 0.77 0.00 0.00 66.41 67.16 3h1g h THR 93 Cb 0.22 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3h1g h THR 93 CO -0.21 0.07 -0.35 0.00 0.37 0.00 0.00 175.52 175.40 3h1g h ALA 94 N 1.39 0.44 -0.74 6.16 0.00 -0.50 -2.36 119.26 123.65 3h1g h ALA 94 Ca 0.28 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3h1g h ALA 94 Cb 0.34 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3h1g h ALA 94 CO -0.29 0.50 0.42 -0.07 0.00 0.00 0.00 179.25 179.81 3h1g h LEU 95 N 0.51 0.92 -1.83 0.00 3.38 -0.69 -1.53 115.31 116.06 3h1g h LEU 95 Ca 0.04 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3h1g h LEU 95 Cb 0.93 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3h1g h LEU 95 CO 0.08 0.74 0.11 0.11 0.09 0.00 0.00 178.44 179.57 3h1g h LYS 96 N 1.02 0.22 0.00 1.13 1.57 -1.04 -2.13 116.57 117.34 3h1g h LYS 96 Ca 0.26 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 3h1g h LYS 96 Cb 0.01 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 3h1g h LYS 96 CO -0.04 0.15 -0.12 0.00 -0.57 0.00 0.00 179.45 178.87 3h1g h ALA 97 N 1.89 0.95 0.00 3.86 0.00 -0.84 -3.47 119.26 121.65 3h1g h ALA 97 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3h1g h ALA 97 Cb -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3h1g h ALA 97 CO -0.01 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.79 3h1g n GLY 98 N 0.71 0.75 3.76 0.00 0.00 -0.80 -4.33 105.19 105.27 3h1g n GLY 98 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3h1g n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1g s VAL 99 N -1.47 3.33 -0.12 1.61 1.01 -0.64 -4.72 120.40 119.41 3h1g s VAL 99 Ca 0.00 1.29 0.18 0.00 0.00 0.00 0.00 61.98 63.44 3h1g s VAL 99 Cb 0.00 -3.82 -0.26 0.00 0.00 0.00 0.00 36.38 32.30 3h1g s VAL 99 CO 0.00 0.28 0.21 0.59 0.00 0.00 0.00 175.10 176.19 3h1g n ASN 100 N 1.41 0.51 -3.75 3.32 3.02 -0.09 -4.48 115.26 115.20 3h1g n ASN 100 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.42 3h1g n ASN 100 Cb 0.44 1.33 -0.15 0.00 -0.61 0.00 0.00 39.78 40.80 3h1g n ASN 100 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3h1g s ASN 101 N -4.84 -0.09 -0.18 6.41 0.01 -1.10 -5.04 114.94 110.10 3h1g s ASN 101 Ca -0.08 0.27 0.01 0.00 -0.71 0.00 0.00 52.86 52.35 3h1g s ASN 101 Cb 0.08 0.16 0.02 0.00 0.41 0.00 0.00 41.25 41.93 3h1g s ASN 101 CO 0.77 -0.14 -0.20 -0.47 -1.51 0.00 0.00 177.10 175.55 3h1g s TYR 102 N 1.11 2.74 -0.14 2.20 5.04 -1.26 -1.28 117.35 125.76 3h1g s TYR 102 Ca -0.09 -1.61 0.01 0.00 -2.44 0.00 0.00 57.07 52.94 3h1g s TYR 102 Cb -0.11 -1.90 -0.00 0.00 0.35 0.00 0.00 41.96 40.30 3h1g s TYR 102 CO -0.05 -0.79 -0.17 0.42 -1.34 0.00 0.00 175.55 173.61 3h1g s ILE 103 N 1.27 2.54 -0.23 3.14 1.01 0.33 -5.00 121.20 124.26 3h1g s ILE 103 Ca 0.04 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 59.76 3h1g s ILE 103 Cb -0.13 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 3h1g s ILE 103 CO -0.12 0.53 0.16 -0.69 0.00 0.00 0.00 174.94 174.82 3h1g s VAL 104 N 0.70 5.37 0.55 2.92 1.01 -1.26 -1.41 120.40 128.28 3h1g s VAL 104 Ca -0.08 0.21 -0.15 0.00 0.00 0.00 0.00 61.98 61.95 3h1g s VAL 104 Cb -0.16 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 32.66 3h1g s VAL 104 CO 0.01 0.37 1.01 -0.54 0.00 0.00 0.00 175.10 175.96 3h1g s LYS 105 N 0.85 3.72 0.67 2.72 1.02 0.31 -4.65 119.74 124.37 3h1g s LYS 105 Ca 0.08 0.99 -0.08 0.00 0.02 0.00 0.00 55.97 56.98 3h1g s LYS 105 Cb -0.13 -2.10 0.03 0.00 -0.52 0.00 0.00 37.83 35.12 3h1g s LYS 105 CO 0.03 -0.47 1.00 -1.25 -0.92 0.00 0.00 175.35 173.74 3h1g s PRO 106 N -4.25 2.57 0.03 -1.68 0.04 -1.26 -4.47 135.00 125.98 3h1g s PRO 106 Ca 0.59 0.00 -0.16 0.00 0.04 0.00 0.00 61.00 61.48 3h1g s PRO 106 Cb -0.12 -2.16 0.03 0.00 0.04 0.00 0.00 34.50 32.29 3h1g s PRO 106 CO 0.36 -1.03 0.35 -0.59 0.04 0.00 0.00 177.00 176.13 3h1g s PHE 107 N -3.20 -0.19 0.73 0.56 -0.12 -1.26 -5.09 117.98 109.40 3h1g s PHE 107 Ca 0.58 0.16 -0.11 0.00 -0.05 0.00 0.00 56.93 57.51 3h1g s PHE 107 Cb -0.11 0.15 0.03 0.00 -0.63 0.00 0.00 43.02 42.46 3h1g s PHE 107 CO 0.47 -0.50 1.07 0.95 -0.05 0.00 0.00 175.22 177.15 3h1g s THR 108 N -2.20 3.73 0.27 -4.49 -4.23 -1.26 -4.87 115.64 102.59 3h1g s THR 108 Ca -0.07 0.56 -0.02 0.00 -1.18 0.00 0.00 61.69 60.98 3h1g s THR 108 Cb -0.02 -3.25 0.27 0.00 1.34 0.00 0.00 72.50 70.85 3h1g s THR 108 CO -0.01 -0.74 1.87 -0.65 -0.54 0.00 0.00 174.62 174.56 3h1g h PRO 109 N -0.87 1.11 -0.65 3.99 0.11 -1.99 -1.12 132.00 132.59 3h1g h PRO 109 Ca -0.44 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3h1g h PRO 109 Cb 1.22 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 3h1g h PRO 109 CO 0.56 0.74 0.33 0.37 -0.21 0.00 0.00 178.00 179.78 3h1g h GLN 110 N 1.15 0.92 -0.47 1.05 5.75 -1.99 -1.31 115.11 120.21 3h1g h GLN 110 Ca 0.44 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.80 3h1g h GLN 110 Cb 0.22 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 3h1g h GLN 110 CO -0.19 0.72 0.22 0.28 -2.65 0.00 0.00 178.83 177.21 3h1g h VAL 111 N 0.89 1.19 -0.78 2.39 2.07 -1.81 -0.78 116.25 119.42 3h1g h VAL 111 Ca 0.22 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.22 3h1g h VAL 111 Cb 0.09 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 3h1g h VAL 111 CO -0.03 0.21 0.50 0.25 0.02 0.00 0.00 177.57 178.52 3h1g h LEU 112 N 0.62 0.84 -0.36 2.57 5.85 -1.09 0.01 115.31 123.75 3h1g h LEU 112 Ca 0.16 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.89 3h1g h LEU 112 Cb 0.13 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3h1g h LEU 112 CO -0.02 0.59 0.21 0.50 -0.34 0.00 0.00 178.44 179.38 3h1g h LYS 113 N 0.99 0.42 -0.30 1.25 3.64 -1.01 0.52 116.57 122.09 3h1g h LYS 113 Ca 0.31 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3h1g h LYS 113 Cb -0.02 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3h1g h LYS 113 CO -0.10 0.28 0.18 0.93 -2.27 0.00 0.00 179.45 178.47 3h1g h GLU 114 N 0.43 0.40 -0.17 1.90 5.08 -0.47 -1.05 114.58 120.69 3h1g h GLU 114 Ca 0.14 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.32 3h1g h GLU 114 Cb 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3h1g h GLU 114 CO -0.06 0.30 -0.51 0.87 -1.00 0.00 0.00 179.01 178.60 3h1g h LYS 115 N 0.38 0.48 -0.23 2.33 1.57 -0.78 -1.76 116.57 118.56 3h1g h LYS 115 Ca 0.11 -0.29 -0.18 0.00 -1.87 0.00 0.00 60.65 58.42 3h1g h LYS 115 Cb -0.00 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 3h1g h LYS 115 CO -0.02 0.88 -0.59 -0.07 -0.57 0.00 0.00 179.45 179.08 3h1g h LEU 116 N 0.38 0.85 -1.41 2.94 3.38 -0.86 -3.04 115.31 117.54 3h1g h LEU 116 Ca 0.01 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 3h1g h LEU 116 Cb 1.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3h1g h LEU 116 CO 0.09 1.24 0.18 -0.08 0.09 0.00 0.00 178.44 179.97 3h1g h GLU 117 N 0.57 0.58 -0.79 1.13 4.81 -1.01 0.47 114.58 120.34 3h1g h GLU 117 Ca 0.00 -0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.25 3h1g h GLU 117 Cb 1.18 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 30.38 3h1g h GLU 117 CO 0.12 0.47 0.44 0.28 -0.73 0.00 0.00 179.01 179.59 3h1g h VAL 118 N 0.58 0.90 0.12 0.32 2.07 -1.21 0.99 116.25 120.02 3h1g h VAL 118 Ca 0.14 -0.25 -0.31 0.00 0.82 0.00 0.00 66.70 67.10 3h1g h VAL 118 Cb 0.10 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 3h1g h VAL 118 CO -0.02 0.14 -1.61 0.58 0.02 0.00 0.00 177.57 176.68 3h1g h VAL 119 N 0.74 0.89 0.00 2.57 2.07 -1.18 -3.41 116.25 117.94 3h1g h VAL 119 Ca 0.38 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.53 3h1g h VAL 119 Cb 0.35 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 3h1g h VAL 119 CO -0.25 0.74 -0.92 0.18 0.02 0.00 0.00 177.57 177.35 3h1g n LEU 120 N -3.81 0.42 0.00 2.57 4.77 0.15 -5.10 117.00 116.01 3h1g n LEU 120 Ca -0.28 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 3h1g n LEU 120 Cb 0.94 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 3h1g n LEU 120 CO 0.40 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3h1g n GLY 121 N 1.44 1.41 3.64 -0.72 0.00 0.34 -4.77 105.19 106.53 3h1g n GLY 121 Ca 0.01 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 3h1g n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h1g s THR 122 N 0.00 2.97 0.00 2.61 -4.23 -1.26 -4.58 115.64 111.15 3h1g s THR 122 Ca 0.00 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 3h1g s THR 122 Cb 0.00 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 71.03 3h1g s THR 122 CO 0.00 -0.27 0.30 -3.20 -0.54 0.00 0.00 174.62 170.91