#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tlu s SER 3 N 0.00 -0.60 0.38 3.14 1.04 -1.26 -0.53 113.70 115.87 1tlu s SER 3 Ca 0.00 0.47 0.05 0.00 0.48 0.00 0.00 55.95 56.95 1tlu s SER 3 Cb 0.00 0.53 0.75 0.00 0.10 0.00 0.00 66.02 67.40 1tlu s SER 3 CO 0.00 -0.69 2.00 -0.07 0.98 0.00 0.00 173.24 175.47 1tlu h LEU 4 N 2.65 0.54 -7.81 2.42 3.38 -0.42 -3.46 115.31 112.60 1tlu h LEU 4 Ca -0.28 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 1tlu h LEU 4 Cb 1.19 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.68 1tlu h LEU 4 CO 0.38 0.44 -0.21 -0.83 0.09 0.00 0.00 178.44 178.30 1tlu s GLY 5 N -3.67 0.14 -0.09 0.83 0.00 -0.32 -3.71 107.32 100.50 1tlu s GLY 5 Ca -0.09 -0.54 0.02 0.00 0.00 0.00 0.00 44.72 44.12 1tlu s GLY 5 CO 0.75 -0.61 -0.16 0.50 0.00 0.00 0.00 173.10 173.58 1tlu s ARG 6 N -3.90 2.97 -0.12 2.90 0.52 -0.01 -0.83 118.95 120.48 1tlu s ARG 6 Ca 0.10 -0.74 -0.00 0.00 -0.52 0.00 0.00 55.73 54.58 1tlu s ARG 6 Cb 0.02 -2.46 0.02 0.00 0.52 0.00 0.00 34.95 33.06 1tlu s ARG 6 CO -0.05 0.36 -0.09 -1.58 0.02 0.00 0.00 175.30 173.96 1tlu s HIS 7 N -0.06 1.65 -0.26 -0.53 2.46 0.34 -1.19 115.29 117.70 1tlu s HIS 7 Ca -0.04 -0.84 -0.09 0.00 0.47 0.00 0.00 55.06 54.55 1tlu s HIS 7 Cb -0.14 -1.31 -0.04 0.00 -0.13 0.00 0.00 32.58 30.95 1tlu s HIS 7 CO 0.04 -0.54 0.14 -0.51 -2.47 0.00 0.00 174.74 171.40 1tlu s LEU 8 N 1.60 3.82 -0.44 8.88 1.43 -0.24 0.14 118.68 133.87 1tlu s LEU 8 Ca 0.04 -0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 52.94 1tlu s LEU 8 Cb -0.13 -2.04 0.05 0.00 0.03 0.00 0.00 46.19 44.10 1tlu s LEU 8 CO -0.08 -0.01 0.33 -0.69 0.23 0.00 0.00 176.35 176.12 1tlu s VAL 9 N 1.52 5.09 0.05 -1.59 1.01 0.42 -1.18 120.40 125.73 1tlu s VAL 9 Ca 0.06 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.21 1tlu s VAL 9 Cb -0.15 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1tlu s VAL 9 CO 0.07 -0.44 -0.25 0.00 0.00 0.00 0.00 175.10 174.48 1tlu s ALA 10 N 1.63 2.33 -0.25 5.51 0.00 0.66 -1.50 121.76 130.14 1tlu s ALA 10 Ca 0.04 -1.27 -0.04 0.00 0.00 0.00 0.00 51.96 50.69 1tlu s ALA 10 Cb -0.22 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.39 1tlu s ALA 10 CO 0.08 0.54 -0.01 -1.21 0.00 0.00 0.00 175.76 175.15 1tlu s GLU 11 N -1.33 3.16 -0.23 0.00 0.41 0.46 -1.52 118.70 119.64 1tlu s GLU 11 Ca 0.12 -0.78 -0.06 0.00 -0.41 0.00 0.00 54.97 53.84 1tlu s GLU 11 Cb -0.10 -3.10 -0.02 0.00 -1.78 0.00 0.00 34.13 29.12 1tlu s GLU 11 CO 0.03 -0.32 0.03 -0.06 -0.49 0.00 0.00 175.26 174.46 1tlu s PHE 12 N 1.44 3.05 0.14 1.61 2.99 -0.55 -1.45 117.98 125.22 1tlu s PHE 12 Ca 0.03 -0.52 0.08 0.00 0.00 0.00 0.00 56.93 56.52 1tlu s PHE 12 Cb -0.16 -2.18 -0.04 0.00 0.00 0.00 0.00 43.02 40.64 1tlu s PHE 12 CO -0.02 -0.36 -0.09 0.71 -0.00 0.00 0.00 175.22 175.46 1tlu s TYR 13 N 1.45 2.70 -1.33 0.36 2.02 0.50 -1.37 117.35 121.68 1tlu s TYR 13 Ca 0.05 -0.18 -0.01 0.00 -0.37 0.00 0.00 57.07 56.56 1tlu s TYR 13 Cb -0.15 -1.37 0.01 0.00 -0.40 0.00 0.00 41.96 40.05 1tlu s TYR 13 CO 0.02 0.47 0.70 0.39 -1.57 0.00 0.00 175.55 175.56 1tlu n GLU 14 N 0.36 -4.87 -2.14 -0.62 1.02 -0.74 -1.77 120.64 111.89 1tlu n GLU 14 Ca -0.12 0.61 -0.27 0.00 -0.02 0.00 0.00 57.16 57.36 1tlu n GLU 14 Cb 0.54 -5.16 0.08 0.00 -0.02 0.00 0.00 31.44 26.88 1tlu n GLU 14 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1tlu s ASP 16 N -4.56 5.81 0.56 0.00 -1.08 0.39 -4.78 116.67 113.02 1tlu s ASP 16 Ca 0.61 1.10 0.31 0.00 -0.52 0.00 0.00 52.55 54.06 1tlu s ASP 16 Cb -0.10 -2.53 1.69 0.00 -1.46 0.00 0.00 42.92 40.52 1tlu s ASP 16 CO 0.46 -1.81 2.16 0.03 0.52 0.00 0.00 175.17 176.53 1tlu h ARG 17 N 13.10 0.00 -0.16 4.34 3.08 -1.89 -2.01 114.38 130.84 1tlu h ARG 17 Ca -0.32 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.67 1tlu h ARG 17 Cb 1.16 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 1tlu h ARG 17 CO 1.07 0.06 -0.13 0.93 -1.07 0.00 0.00 179.97 180.83 1tlu h GLU 18 N 0.00 0.37 -0.74 0.04 4.39 -1.93 -3.06 114.58 113.66 1tlu h GLU 18 Ca -0.00 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.49 1tlu h GLU 18 Cb 0.21 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 1tlu h GLU 18 CO 0.01 0.72 0.35 0.28 -1.16 0.00 0.00 179.01 179.21 1tlu h VAL 19 N 0.03 1.24 0.00 3.13 2.07 -1.78 -2.70 116.25 118.24 1tlu h VAL 19 Ca 0.03 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1tlu h VAL 19 Cb 0.64 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1tlu h VAL 19 CO 0.03 0.29 -0.02 -0.07 0.02 0.00 0.00 177.57 177.82 1tlu h LEU 20 N 1.04 0.00 -2.35 2.57 3.38 -1.39 -2.11 115.31 116.45 1tlu h LEU 20 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1tlu h LEU 20 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1tlu h LEU 20 CO -0.03 0.02 0.00 -0.67 0.09 0.00 0.00 178.44 177.85 1tlu n ASP 21 N -3.96 3.42 -4.33 -0.43 2.03 -1.03 -4.20 116.55 108.05 1tlu n ASP 21 Ca -0.03 -1.98 -0.47 0.00 0.52 0.00 0.00 54.79 52.84 1tlu n ASP 21 Cb 0.11 -0.25 -0.02 0.00 -0.72 0.00 0.00 41.12 40.24 1tlu n ASP 21 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1tlu s ASN 22 N -1.42 6.75 0.48 1.67 3.84 -0.79 -4.88 114.94 120.58 1tlu s ASN 22 Ca 0.38 -2.66 0.19 0.00 0.21 0.00 0.00 52.86 50.97 1tlu s ASN 22 Cb 0.22 -2.22 1.20 0.00 -0.55 0.00 0.00 41.25 39.91 1tlu s ASN 22 CO 0.30 -0.59 1.99 1.62 -2.79 0.00 0.00 177.10 177.64 1tlu h VAL 23 N 4.83 0.83 -0.16 -5.21 3.04 -1.87 -0.27 116.25 117.44 1tlu h VAL 23 Ca 0.10 -0.07 -0.22 0.00 -1.01 0.00 0.00 66.70 65.50 1tlu h VAL 23 Cb 1.04 0.60 0.01 0.00 -2.01 0.00 0.00 31.29 30.93 1tlu h VAL 23 CO 0.77 0.04 -0.75 -0.61 -1.01 0.00 0.00 177.57 176.00 1tlu h GLN 24 N 0.21 0.78 -0.15 4.17 4.15 -1.95 -2.47 115.11 119.85 1tlu h GLN 24 Ca 0.25 -0.62 -0.20 0.00 0.77 0.00 0.00 58.65 58.85 1tlu h GLN 24 Cb 0.72 0.13 0.01 0.00 0.21 0.00 0.00 27.48 28.55 1tlu h GLN 24 CO -0.05 1.23 -0.70 1.25 -1.93 0.00 0.00 178.83 178.64 1tlu h LEU 25 N 0.54 0.88 -0.58 -2.39 5.85 -1.66 -2.87 115.31 115.07 1tlu h LEU 25 Ca -0.05 -0.63 0.01 0.00 0.84 0.00 0.00 57.88 58.06 1tlu h LEU 25 Cb 1.38 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1tlu h LEU 25 CO 0.16 1.36 0.38 0.40 -0.34 0.00 0.00 178.44 180.39 1tlu h ILE 26 N 0.45 1.12 -0.63 4.05 1.08 -1.13 -0.02 117.51 122.43 1tlu h ILE 26 Ca -0.04 -0.26 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 1tlu h ILE 26 Cb 1.33 0.29 -0.03 0.00 -3.07 0.00 0.00 36.82 35.35 1tlu h ILE 26 CO 0.15 0.14 0.37 -0.08 -0.69 0.00 0.00 178.15 178.03 1tlu h GLU 27 N 0.76 0.87 -0.09 2.37 4.81 -1.48 0.26 114.58 122.09 1tlu h GLU 27 Ca 0.22 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1tlu h GLU 27 Cb -0.05 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.15 1tlu h GLU 27 CO -0.06 0.64 0.06 0.37 -0.73 0.00 0.00 179.01 179.28 1tlu h GLN 28 N 0.86 0.12 -0.15 1.92 4.15 -1.18 -1.77 115.11 119.05 1tlu h GLN 28 Ca 0.23 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.53 1tlu h GLN 28 Cb 0.00 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1tlu h GLN 28 CO -0.04 0.10 -0.38 0.93 -1.93 0.00 0.00 178.83 177.51 1tlu h GLU 29 N 0.11 0.34 -0.18 1.69 4.39 -0.82 -1.53 114.58 118.57 1tlu h GLU 29 Ca 0.03 -0.15 -0.14 0.00 0.34 0.00 0.00 59.36 59.44 1tlu h GLU 29 Cb 0.01 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1tlu h GLU 29 CO -0.01 0.67 -0.47 0.52 -1.16 0.00 0.00 179.01 178.56 1tlu h MET 30 N 0.28 0.47 -0.08 2.33 2.86 -0.81 -1.14 114.93 118.85 1tlu h MET 30 Ca 0.03 -0.26 -0.18 0.00 -2.06 0.00 0.00 59.70 57.23 1tlu h MET 30 Cb 0.80 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.47 1tlu h MET 30 CO 0.06 0.84 -0.72 0.87 1.06 0.00 0.00 176.91 179.03 1tlu h LYS 31 N 0.37 0.41 -0.25 1.72 1.57 -1.12 -2.36 116.57 116.92 1tlu h LYS 31 Ca 0.02 -0.33 -0.10 0.00 -1.87 0.00 0.00 60.65 58.37 1tlu h LYS 31 Cb 0.97 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1tlu h LYS 31 CO 0.09 0.97 -0.25 0.37 -0.57 0.00 0.00 179.45 180.05 1tlu h GLN 32 N 0.28 0.49 -0.28 3.15 5.75 -1.10 -1.16 115.11 122.24 1tlu h GLN 32 Ca -0.03 -0.18 -0.11 0.00 -0.15 0.00 0.00 58.65 58.18 1tlu h GLN 32 Cb 1.29 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.80 1tlu h GLN 32 CO 0.12 0.70 -0.29 0.00 -2.65 0.00 0.00 178.83 176.72 1tlu h ALA 33 N 1.30 0.98 -0.26 3.38 0.00 -1.10 -0.49 119.26 123.07 1tlu h ALA 33 Ca 0.06 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1tlu h ALA 33 Cb 0.67 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1tlu h ALA 33 CO 0.05 0.60 0.07 0.00 0.00 0.00 0.00 179.25 179.97 1tlu h ALA 34 N 1.19 0.34 -0.29 0.00 0.00 -0.87 -1.89 119.26 117.75 1tlu h ALA 34 Ca 0.06 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1tlu h ALA 34 Cb 0.75 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1tlu h ALA 34 CO 0.06 -0.01 0.11 -0.92 0.00 0.00 0.00 179.25 178.49 1tlu h TYR 35 N 0.25 0.20 -0.76 0.00 3.20 -0.94 -2.36 116.97 116.56 1tlu h TYR 35 Ca 0.08 0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.10 1tlu h TYR 35 Cb 0.27 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.44 1tlu h TYR 35 CO 0.01 0.09 0.50 0.93 -1.64 0.00 0.00 178.16 178.05 1tlu h GLU 36 N 0.24 0.48 0.00 1.82 4.39 -0.86 0.25 114.58 120.90 1tlu h GLU 36 Ca 0.13 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1tlu h GLU 36 Cb 0.09 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1tlu h GLU 36 CO -0.12 0.32 -0.05 -1.13 -1.16 0.00 0.00 179.01 176.86 1tlu n SER 37 N -4.49 0.25 0.00 1.42 3.41 -0.73 -4.76 113.62 108.71 1tlu n SER 37 Ca 0.14 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1tlu n SER 37 Cb 0.48 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1tlu n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tlu n GLY 38 N 1.45 0.47 3.87 5.00 0.00 0.89 -2.03 105.19 114.84 1tlu n GLY 38 Ca 0.06 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 1tlu n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tlu s ALA 39 N -2.00 3.09 -0.25 4.61 0.00 -0.93 -4.80 121.76 121.48 1tlu s ALA 39 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 51.96 51.81 1tlu s ALA 39 Cb 0.00 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.99 1tlu s ALA 39 CO 0.00 -0.64 0.15 0.99 0.00 0.00 0.00 175.76 176.26 1tlu s THR 40 N -3.11 5.18 0.04 0.00 2.01 -1.26 -4.61 115.64 113.89 1tlu s THR 40 Ca 0.56 0.12 -0.30 0.00 0.31 0.00 0.00 61.69 62.37 1tlu s THR 40 Cb -0.11 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1tlu s THR 40 CO 0.51 0.33 1.07 -0.63 -0.69 0.00 0.00 174.62 175.21 1tlu s ILE 41 N 1.26 4.47 -0.24 1.82 1.01 -1.26 -2.01 121.20 126.25 1tlu s ILE 41 Ca 0.07 1.80 -0.16 0.00 0.00 0.00 0.00 60.65 62.36 1tlu s ILE 41 Cb -0.14 -4.16 -0.13 0.00 0.01 0.00 0.00 42.46 38.04 1tlu s ILE 41 CO 0.06 0.16 -0.19 0.52 0.00 0.00 0.00 174.94 175.48 1tlu n VAL 42 N 3.77 1.52 -3.81 2.92 0.31 0.14 -4.94 118.33 118.25 1tlu n VAL 42 Ca 0.07 -0.21 -0.10 0.00 -0.01 0.00 0.00 64.34 64.09 1tlu n VAL 42 Cb 0.49 -1.99 -0.05 0.00 -0.91 0.00 0.00 33.84 31.38 1tlu n VAL 42 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1tlu s THR 43 N -2.49 0.04 -0.07 2.52 -1.32 -1.08 -5.02 115.64 108.22 1tlu s THR 43 Ca -0.34 -0.96 -0.04 0.00 -1.21 0.00 0.00 61.69 59.13 1tlu s THR 43 Cb 0.11 -1.66 0.03 0.00 -1.51 0.00 0.00 72.50 69.47 1tlu s THR 43 CO 0.50 -0.17 0.17 -0.55 -2.21 0.00 0.00 174.62 172.36 1tlu s SER 44 N -2.90 -0.16 -0.15 8.08 0.15 -1.26 -1.49 113.70 115.97 1tlu s SER 44 Ca 0.12 0.35 -0.06 0.00 0.70 0.00 0.00 55.95 57.06 1tlu s SER 44 Cb 0.00 0.28 0.07 0.00 -1.71 0.00 0.00 66.02 64.66 1tlu s SER 44 CO -0.02 -0.11 0.31 0.28 1.20 0.00 0.00 173.24 174.90 1tlu s THR 45 N 0.73 -0.43 0.02 6.45 -1.32 -0.65 -5.02 115.64 115.41 1tlu s THR 45 Ca -0.05 0.23 0.05 0.00 -1.21 0.00 0.00 61.69 60.71 1tlu s THR 45 Cb -0.07 -0.51 -0.02 0.00 -1.51 0.00 0.00 72.50 70.40 1tlu s THR 45 CO -0.04 0.10 -0.16 -0.36 -2.21 0.00 0.00 174.62 171.95 1tlu s PHE 46 N 2.33 1.43 0.02 9.09 0.08 -1.26 -1.07 117.98 128.60 1tlu s PHE 46 Ca -0.01 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 56.73 1tlu s PHE 46 Cb -0.12 -0.88 -0.01 0.00 -0.57 0.00 0.00 43.02 41.44 1tlu s PHE 46 CO -0.10 0.02 -0.03 -1.01 -0.10 0.00 0.00 175.22 174.00 1tlu s HIS 47 N -0.61 0.26 -0.15 0.36 3.76 0.33 -5.00 115.29 114.24 1tlu s HIS 47 Ca 0.05 -0.33 -0.01 0.00 -0.15 0.00 0.00 55.06 54.61 1tlu s HIS 47 Cb -0.07 -0.18 -0.01 0.00 1.11 0.00 0.00 32.58 33.43 1tlu s HIS 47 CO 0.00 -0.10 -0.10 -0.98 -0.85 0.00 0.00 174.74 172.71 1tlu s ARG 48 N -0.94 3.41 -0.11 1.40 3.03 -1.26 -1.29 118.95 123.19 1tlu s ARG 48 Ca -0.09 -0.66 -0.03 0.00 2.03 0.00 0.00 55.73 56.98 1tlu s ARG 48 Cb -0.06 -2.74 -0.03 0.00 -1.03 0.00 0.00 34.95 31.08 1tlu s ARG 48 CO -0.00 0.12 0.03 -0.06 -1.13 0.00 0.00 175.30 174.26 1tlu s PHE 49 N 0.60 3.24 0.30 5.89 0.40 -0.20 -5.01 117.98 123.20 1tlu s PHE 49 Ca -0.06 0.21 -0.21 0.00 -0.60 0.00 0.00 56.93 56.27 1tlu s PHE 49 Cb -0.15 -1.85 -0.09 0.00 0.51 0.00 0.00 43.02 41.43 1tlu s PHE 49 CO 0.03 0.45 0.83 -0.51 0.70 0.00 0.00 175.22 176.72 1tlu s LEU 50 N -0.71 4.24 0.16 -0.37 1.43 -1.26 -2.35 118.68 119.82 1tlu s LEU 50 Ca 0.11 1.57 0.08 0.00 -1.03 0.00 0.00 54.13 54.87 1tlu s LEU 50 Cb -0.12 -3.94 -0.07 0.00 0.03 0.00 0.00 46.19 42.09 1tlu s LEU 50 CO 0.02 -0.09 1.36 1.55 0.23 0.00 0.00 176.35 179.42 1tlu h PRO 51 N 2.95 0.00 -4.28 1.29 0.13 -2.06 -3.49 132.00 126.54 1tlu h PRO 51 Ca -0.48 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.51 1tlu h PRO 51 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 1tlu h PRO 51 CO 0.65 0.89 -0.65 0.71 -0.23 0.00 0.00 178.00 179.37 1tlu s TYR 52 N -2.92 0.63 0.00 1.56 2.02 -0.99 -5.14 117.35 112.50 1tlu s TYR 52 Ca 0.01 -1.10 0.00 0.00 -0.37 0.00 0.00 57.07 55.60 1tlu s TYR 52 Cb 0.10 -0.40 0.00 0.00 -0.40 0.00 0.00 41.96 41.26 1tlu s TYR 52 CO 0.80 -0.45 0.00 0.41 -1.57 0.00 0.00 175.55 174.75 1tlu n GLY 53 N 0.02 3.49 2.91 0.71 0.00 -1.23 -4.58 105.19 106.51 1tlu n GLY 53 Ca -0.11 -1.47 -0.19 0.00 0.00 0.00 0.00 46.02 44.24 1tlu n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tlu s VAL 54 N -0.72 0.54 -0.03 1.61 1.01 -1.24 -1.03 120.40 120.53 1tlu s VAL 54 Ca 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 61.87 1tlu s VAL 54 Cb 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 1tlu s VAL 54 CO 0.00 0.21 -0.16 -0.44 0.00 0.00 0.00 175.10 174.71 1tlu s SER 55 N 0.70 2.00 -0.01 3.32 0.01 -0.41 -0.68 113.70 118.63 1tlu s SER 55 Ca -0.09 -0.32 -0.24 0.00 1.31 0.00 0.00 55.95 56.61 1tlu s SER 55 Cb -0.12 -0.41 0.05 0.00 0.21 0.00 0.00 66.02 65.74 1tlu s SER 55 CO 0.00 0.17 0.53 -0.83 0.41 0.00 0.00 173.24 173.52 1tlu s GLY 56 N -0.13 -0.42 -0.01 3.44 0.00 -0.09 -0.51 107.32 109.61 1tlu s GLY 56 Ca 0.01 0.82 0.01 0.00 0.00 0.00 0.00 44.72 45.55 1tlu s GLY 56 CO 0.01 0.52 -0.01 0.54 0.00 0.00 0.00 173.10 174.16 1tlu s VAL 57 N -1.63 0.17 -0.38 1.40 0.11 -0.24 -1.26 120.40 118.58 1tlu s VAL 57 Ca -0.10 -0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 58.91 1tlu s VAL 57 Cb -0.02 -0.19 0.09 0.00 -1.53 0.00 0.00 36.38 34.74 1tlu s VAL 57 CO 0.05 0.08 0.14 -0.69 -3.33 0.00 0.00 175.10 171.35 1tlu s VAL 58 N 0.34 3.11 -0.03 2.04 1.01 0.11 -1.64 120.40 125.34 1tlu s VAL 58 Ca -0.03 -1.93 -0.30 0.00 0.00 0.00 0.00 61.98 59.72 1tlu s VAL 58 Cb -0.06 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 1tlu s VAL 58 CO -0.01 -0.55 1.15 -0.69 0.00 0.00 0.00 175.10 175.01 1tlu s VAL 59 N 1.14 4.34 0.35 2.92 1.01 -0.56 -1.60 120.40 128.00 1tlu s VAL 59 Ca 0.06 1.67 0.01 0.00 0.00 0.00 0.00 61.98 63.71 1tlu s VAL 59 Cb -0.22 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.10 1tlu s VAL 59 CO -0.04 0.04 0.06 2.30 0.00 0.00 0.00 175.10 177.46 1tlu n ILE 60 N 4.37 0.00 -1.58 2.22 -5.35 -0.37 0.25 119.36 118.89 1tlu n ILE 60 Ca 0.10 -1.60 -0.46 0.00 -0.27 0.00 0.00 62.75 60.51 1tlu n ILE 60 Cb 0.47 0.22 -0.05 0.00 -1.74 0.00 0.00 39.64 38.54 1tlu n ILE 60 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1tlu n SER 61 N -1.36 3.09 -1.55 7.28 2.88 -0.85 -2.24 113.62 120.87 1tlu n SER 61 Ca -0.12 0.50 -0.16 0.00 -1.33 0.00 0.00 58.87 57.77 1tlu n SER 61 Cb 0.44 -1.43 -0.06 0.00 -0.75 0.00 0.00 64.21 62.40 1tlu n SER 61 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1tlu n GLU 62 N 8.01 -1.41 -0.15 -1.46 1.02 -1.26 -4.49 120.64 120.90 1tlu n GLU 62 Ca 0.30 0.90 0.00 0.00 -0.02 0.00 0.00 57.16 58.34 1tlu n GLU 62 Cb 0.35 -5.22 0.00 0.00 -0.02 0.00 0.00 31.44 26.55 1tlu n GLU 62 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1tlu n SER 63 N -0.88 0.00 -3.63 1.62 3.41 -0.95 -4.83 113.62 108.36 1tlu n SER 63 Ca -0.16 -0.12 -0.10 0.00 -0.26 0.00 0.00 58.87 58.24 1tlu n SER 63 Cb 0.52 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 1tlu n SER 63 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1tlu s HIS 64 N -3.21 -0.31 -0.14 7.33 -3.43 -0.74 -1.24 115.29 113.55 1tlu s HIS 64 Ca 0.00 0.00 -0.00 0.00 -0.80 0.00 0.00 55.06 54.26 1tlu s HIS 64 Cb 0.00 0.52 0.03 0.00 -1.43 0.00 0.00 32.58 31.70 1tlu s HIS 64 CO 0.00 -0.95 -0.07 -0.51 -2.00 0.00 0.00 174.74 171.21 1tlu s LEU 65 N -2.83 1.47 0.16 5.38 1.02 -0.63 -0.29 118.68 122.97 1tlu s LEU 65 Ca 0.06 -0.51 0.07 0.00 0.02 0.00 0.00 54.13 53.76 1tlu s LEU 65 Cb -0.02 -0.92 -0.04 0.00 0.02 0.00 0.00 46.19 45.23 1tlu s LEU 65 CO -0.05 -0.14 -0.14 0.42 0.02 0.00 0.00 176.35 176.45 1tlu s THR 66 N 1.64 1.51 -0.18 5.49 -4.23 -0.04 0.06 115.64 119.89 1tlu s THR 66 Ca 0.03 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.38 1tlu s THR 66 Cb -0.14 -1.83 0.05 0.00 1.34 0.00 0.00 72.50 71.92 1tlu s THR 66 CO -0.08 -0.55 0.47 -0.51 -0.54 0.00 0.00 174.62 173.42 1tlu s ILE 67 N -2.70 -0.00 -0.10 2.99 2.07 -0.39 -1.34 121.20 121.73 1tlu s ILE 67 Ca 0.17 0.02 -0.02 0.00 -1.41 0.00 0.00 60.65 59.40 1tlu s ILE 67 Cb -0.02 -0.67 0.04 0.00 0.13 0.00 0.00 42.46 41.94 1tlu s ILE 67 CO 0.04 0.01 0.02 -1.00 -1.91 0.00 0.00 174.94 172.10 1tlu s HIS 68 N 0.54 0.65 0.13 3.50 3.76 -0.36 -0.91 115.29 122.60 1tlu s HIS 68 Ca -0.02 -0.28 0.04 0.00 -0.15 0.00 0.00 55.06 54.65 1tlu s HIS 68 Cb -0.04 -0.81 -0.04 0.00 1.11 0.00 0.00 32.58 32.80 1tlu s HIS 68 CO -0.03 -0.39 0.11 0.95 -0.85 0.00 0.00 174.74 174.54 1tlu s THR 69 N 1.98 4.52 -0.55 1.30 -4.23 0.15 -0.50 115.64 118.30 1tlu s THR 69 Ca 0.04 -0.94 0.05 0.00 -1.18 0.00 0.00 61.69 59.65 1tlu s THR 69 Cb -0.13 -3.25 0.17 0.00 1.34 0.00 0.00 72.50 70.63 1tlu s THR 69 CO -0.06 -0.01 0.42 0.79 -0.54 0.00 0.00 174.62 175.22 1tlu n TRP 70 N -0.00 1.08 -0.34 3.99 8.01 0.29 -3.73 117.44 126.73 1tlu n TRP 70 Ca -0.08 -3.79 0.20 0.00 -1.31 0.00 0.00 57.50 52.52 1tlu n TRP 70 Cb 0.53 -0.16 0.42 0.00 -2.01 0.00 0.00 31.31 30.09 1tlu n TRP 70 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 1tlu h PRO 71 N 5.49 0.48 0.00 -0.99 0.11 -1.85 0.12 132.00 135.36 1tlu h PRO 71 Ca 0.21 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1tlu h PRO 71 Cb 0.83 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1tlu h PRO 71 CO 0.54 0.32 0.00 -0.85 -0.21 0.00 0.00 178.00 177.80 1tlu n GLU 72 N -4.91 0.11 0.00 1.05 0.00 -1.26 -1.84 120.64 113.78 1tlu n GLU 72 Ca 0.28 0.46 0.01 0.00 0.00 0.00 0.00 57.16 57.91 1tlu n GLU 72 Cb 0.83 -1.76 0.00 0.00 0.00 0.00 0.00 31.44 30.51 1tlu n GLU 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1tlu n TYR 73 N -1.98 0.00 -1.99 -1.84 4.01 0.34 -4.98 117.16 110.72 1tlu n TYR 73 Ca 0.01 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.56 1tlu n TYR 73 Cb 0.13 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.12 1tlu n TYR 73 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tlu n GLY 74 N 0.35 0.59 3.67 2.72 0.00 -0.63 -4.53 105.19 107.36 1tlu n GLY 74 Ca 0.01 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1tlu n GLY 74 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1tlu s TYR 75 N -2.83 3.02 -0.03 1.61 5.04 -1.06 -0.56 117.35 122.54 1tlu s TYR 75 Ca 0.00 0.03 -0.01 0.00 -2.44 0.00 0.00 57.07 54.64 1tlu s TYR 75 Cb 0.00 -1.61 0.02 0.00 0.35 0.00 0.00 41.96 40.72 1tlu s TYR 75 CO 0.00 0.45 0.06 0.00 -1.34 0.00 0.00 175.55 174.72 1tlu s ALA 76 N -1.15 -0.06 -0.36 3.97 0.00 -0.47 -0.55 121.76 123.14 1tlu s ALA 76 Ca 0.21 0.31 -0.14 0.00 0.00 0.00 0.00 51.96 52.35 1tlu s ALA 76 Cb -0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 1tlu s ALA 76 CO 0.13 -0.09 0.27 0.00 0.00 0.00 0.00 175.76 176.07 1tlu s ALA 77 N 0.70 3.50 -0.02 0.00 0.00 0.34 -1.48 121.76 124.80 1tlu s ALA 77 Ca -0.06 -1.45 0.08 0.00 0.00 0.00 0.00 51.96 50.53 1tlu s ALA 77 Cb -0.08 -2.75 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 1tlu s ALA 77 CO -0.02 -1.11 -0.26 0.42 0.00 0.00 0.00 175.76 174.78 1tlu s ILE 78 N 1.75 2.06 -0.07 0.00 1.01 -0.57 -1.23 121.20 124.14 1tlu s ILE 78 Ca 0.06 -1.10 0.01 0.00 0.00 0.00 0.00 60.65 59.63 1tlu s ILE 78 Cb -0.18 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.60 1tlu s ILE 78 CO 0.11 0.58 -0.09 -1.81 0.00 0.00 0.00 174.94 173.72 1tlu s ASP 79 N -0.56 1.72 -0.44 3.58 1.01 -0.45 -0.25 116.67 121.29 1tlu s ASP 79 Ca 0.08 -0.26 0.03 0.00 0.71 0.00 0.00 52.55 53.11 1tlu s ASP 79 Cb -0.10 -0.75 0.12 0.00 1.01 0.00 0.00 42.92 43.20 1tlu s ASP 79 CO -0.00 -0.03 0.20 -0.76 0.21 0.00 0.00 175.17 174.79 1tlu s LEU 80 N 1.03 3.41 -0.33 1.23 1.43 -0.32 -0.86 118.68 124.28 1tlu s LEU 80 Ca -0.08 -2.57 -0.09 0.00 -1.03 0.00 0.00 54.13 50.36 1tlu s LEU 80 Cb -0.15 -1.28 0.01 0.00 0.03 0.00 0.00 46.19 44.80 1tlu s LEU 80 CO -0.00 -0.29 0.14 0.12 0.23 0.00 0.00 176.35 176.55 1tlu s PHE 81 N 0.37 3.19 0.13 0.29 2.19 0.60 -1.08 117.98 123.67 1tlu s PHE 81 Ca 0.16 -0.86 0.07 0.00 0.33 0.00 0.00 56.93 56.63 1tlu s PHE 81 Cb -0.23 -2.34 -0.04 0.00 -1.31 0.00 0.00 43.02 39.09 1tlu s PHE 81 CO -0.04 -0.56 -0.16 0.95 1.83 0.00 0.00 175.22 177.24 1tlu s THR 82 N 1.55 1.54 -0.05 0.12 -4.23 -0.34 -1.79 115.64 112.45 1tlu s THR 82 Ca 0.03 -1.74 0.04 0.00 -1.18 0.00 0.00 61.69 58.83 1tlu s THR 82 Cb -0.18 -1.62 0.00 0.00 1.34 0.00 0.00 72.50 72.04 1tlu s THR 82 CO 0.05 -0.32 -0.16 0.00 -0.54 0.00 0.00 174.62 173.65 1tlu n GLY 84 N 3.35 3.07 0.25 0.00 0.00 -1.24 -4.64 105.19 105.97 1tlu n GLY 84 Ca -0.19 -1.63 0.13 0.00 0.00 0.00 0.00 46.02 44.33 1tlu n GLY 84 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1tlu h GLU 85 N 0.00 0.00 -0.01 1.61 4.39 -1.96 -2.93 114.58 115.68 1tlu h GLU 85 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1tlu h GLU 85 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1tlu h GLU 85 CO 0.00 0.13 -0.12 -0.25 -1.16 0.00 0.00 179.01 177.61 1tlu n ASP 86 N -3.29 0.87 -4.29 1.42 10.43 -1.26 -4.74 116.55 115.69 1tlu n ASP 86 Ca 0.00 -0.95 -0.34 0.00 2.57 0.00 0.00 54.79 56.07 1tlu n ASP 86 Cb 0.37 0.02 -0.14 0.00 1.84 0.00 0.00 41.12 43.20 1tlu n ASP 86 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1tlu s VAL 87 N -2.32 3.02 -0.32 2.53 1.01 -1.11 -4.71 120.40 118.50 1tlu s VAL 87 Ca 0.31 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 1tlu s VAL 87 Cb 0.20 -2.32 0.04 0.00 0.00 0.00 0.00 36.38 34.30 1tlu s VAL 87 CO 0.44 0.48 0.06 -0.62 0.00 0.00 0.00 175.10 175.46 1tlu s ASP 88 N 1.09 5.10 0.54 3.32 2.15 -0.86 -4.75 116.67 123.27 1tlu s ASP 88 Ca 0.00 -1.15 0.25 0.00 0.43 0.00 0.00 52.55 52.09 1tlu s ASP 88 Cb -0.15 -1.80 1.52 0.00 -0.30 0.00 0.00 42.92 42.20 1tlu s ASP 88 CO -0.02 -0.28 2.15 1.55 -0.17 0.00 0.00 175.17 178.39 1tlu h PRO 89 N 8.13 0.00 0.00 4.34 0.13 -1.90 -2.53 132.00 140.18 1tlu h PRO 89 Ca -0.23 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.87 1tlu h PRO 89 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1tlu h PRO 89 CO 0.57 0.06 -0.12 -1.49 -0.23 0.00 0.00 178.00 176.80 1tlu h TRP 90 N 0.00 0.00 -0.15 1.56 4.06 -1.94 -1.66 115.95 117.82 1tlu h TRP 90 Ca -0.00 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.79 1tlu h TRP 90 Cb 0.15 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.30 1tlu h TRP 90 CO 0.00 0.12 -0.57 0.87 -3.56 0.00 0.00 178.44 175.30 1tlu h LYS 91 N 0.00 0.46 -0.33 0.49 1.79 -1.77 -1.58 116.57 115.65 1tlu h LYS 91 Ca -0.00 -0.30 -0.10 0.00 -2.18 0.00 0.00 60.65 58.07 1tlu h LYS 91 Cb 0.54 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 1tlu h LYS 91 CO 0.02 0.91 -0.20 0.00 -1.08 0.00 0.00 179.45 179.09 1tlu h ALA 92 N 1.03 0.46 -0.38 3.86 0.00 -1.51 -2.34 119.26 120.38 1tlu h ALA 92 Ca 0.00 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.60 1tlu h ALA 92 Cb 1.10 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1tlu h ALA 92 CO 0.10 0.41 0.13 0.35 0.00 0.00 0.00 179.25 180.24 1tlu h PHE 93 N 0.48 0.23 -0.40 0.00 3.57 -1.17 -1.21 116.94 118.44 1tlu h PHE 93 Ca 0.07 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1tlu h PHE 93 Cb 0.74 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1tlu h PHE 93 CO 0.06 0.09 0.22 1.49 -2.23 0.00 0.00 178.31 177.94 1tlu h GLU 94 N 0.28 0.56 -0.46 1.11 4.57 -1.17 0.26 114.58 119.73 1tlu h GLU 94 Ca 0.17 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.24 1tlu h GLU 94 Cb 0.16 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1tlu h GLU 94 CO -0.18 0.45 0.10 1.25 -1.18 0.00 0.00 179.01 179.45 1tlu h HIS 95 N 0.52 0.78 -0.43 0.92 2.76 -1.23 -2.64 115.15 115.82 1tlu h HIS 95 Ca 0.14 -0.10 -0.07 0.00 -2.20 0.00 0.00 60.37 58.14 1tlu h HIS 95 Cb 0.05 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 1tlu h HIS 95 CO -0.03 0.72 -0.00 -0.07 -1.30 0.00 0.00 177.93 177.25 1tlu h LEU 96 N 0.62 0.76 -1.05 0.26 3.38 -0.91 -0.81 115.31 117.55 1tlu h LEU 96 Ca 0.14 -0.31 0.08 0.00 0.09 0.00 0.00 57.88 57.88 1tlu h LEU 96 Cb 0.34 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 1tlu h LEU 96 CO 0.00 0.88 0.63 0.50 0.09 0.00 0.00 178.44 180.54 1tlu h LYS 97 N 0.61 1.06 -0.05 1.13 3.11 -0.41 -0.10 116.57 121.92 1tlu h LYS 97 Ca 0.12 -0.06 -0.06 0.00 -2.81 0.00 0.00 60.65 57.84 1tlu h LYS 97 Cb 0.50 -0.24 0.00 0.00 -1.00 0.00 0.00 32.23 31.49 1tlu h LYS 97 CO 0.02 0.70 -0.21 -0.22 -2.81 0.00 0.00 179.45 176.93 1tlu h LYS 98 N 1.09 0.24 -0.94 1.90 3.64 -1.27 -2.16 116.57 119.08 1tlu h LYS 98 Ca 0.44 -0.19 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1tlu h LYS 98 Cb 0.25 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 1tlu h LYS 98 CO -0.18 0.83 0.62 0.00 -2.27 0.00 0.00 179.45 178.44 1tlu h ALA 99 N 0.42 1.34 -0.01 5.00 0.00 -0.75 -2.39 119.26 122.87 1tlu h ALA 99 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1tlu h ALA 99 Cb 0.86 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1tlu h ALA 99 CO 0.05 0.61 -0.27 1.28 0.00 0.00 0.00 179.25 180.92 1tlu n LEU 100 N -4.40 0.94 -3.88 0.00 4.32 -0.09 -4.94 117.00 108.95 1tlu n LEU 100 Ca 0.11 -0.22 -0.28 0.00 -0.02 0.00 0.00 56.01 55.60 1tlu n LEU 100 Cb 0.02 -0.14 0.02 0.00 -1.62 0.00 0.00 43.42 41.71 1tlu n LEU 100 CO 0.37 0.18 0.02 0.29 -1.22 0.00 0.00 177.39 177.03 1tlu n LYS 101 N -0.74 -5.01 -2.23 3.23 5.02 -0.84 -0.46 118.16 117.14 1tlu n LYS 101 Ca 0.12 0.57 -0.41 0.00 -2.02 0.00 0.00 58.31 56.57 1tlu n LYS 101 Cb 0.34 -5.29 -0.03 0.00 -0.02 0.00 0.00 35.03 30.03 1tlu n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tlu s ALA 102 N -3.46 3.52 -2.09 7.82 0.00 -1.05 -4.20 121.76 122.29 1tlu s ALA 102 Ca 0.43 1.10 0.22 0.00 0.00 0.00 0.00 51.96 53.71 1tlu s ALA 102 Cb -0.22 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.44 1tlu s ALA 102 CO 0.84 -0.52 1.08 1.63 0.00 0.00 0.00 175.76 178.79 1tlu n LYS 103 N 2.47 1.38 -3.67 0.00 5.02 -0.73 -4.91 118.16 117.74 1tlu n LYS 103 Ca 0.05 -1.09 -0.09 0.00 -2.02 0.00 0.00 58.31 55.16 1tlu n LYS 103 Cb 0.43 -1.46 -0.09 0.00 -0.02 0.00 0.00 35.03 33.90 1tlu n LYS 103 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1tlu s ARG 104 N -2.36 0.58 0.06 1.97 3.52 -1.18 -5.04 118.95 116.50 1tlu s ARG 104 Ca 0.19 1.02 0.02 0.00 -0.13 0.00 0.00 55.73 56.82 1tlu s ARG 104 Cb 0.18 0.09 -0.03 0.00 -1.56 0.00 0.00 34.95 33.62 1tlu s ARG 104 CO 0.52 -0.15 -0.07 0.14 -0.81 0.00 0.00 175.30 174.94 1tlu s VAL 105 N 1.44 0.52 -0.05 7.11 -7.23 -1.26 -0.37 120.40 120.56 1tlu s VAL 105 Ca -0.09 -1.38 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 1tlu s VAL 105 Cb -0.06 -0.97 0.02 0.00 0.56 0.00 0.00 36.38 35.93 1tlu s VAL 105 CO -0.16 -0.59 -0.03 -2.28 -0.31 0.00 0.00 175.10 171.73 1tlu s HIS 106 N -2.27 0.70 -0.03 2.82 5.04 -0.53 -4.98 115.29 116.04 1tlu s HIS 106 Ca -0.03 -0.19 0.02 0.00 -1.54 0.00 0.00 55.06 53.32 1tlu s HIS 106 Cb -0.04 -0.68 0.01 0.00 0.04 0.00 0.00 32.58 31.91 1tlu s HIS 106 CO -0.02 -0.22 -0.06 0.08 -2.34 0.00 0.00 174.74 172.18 1tlu s VAL 107 N 1.18 0.59 -0.14 0.89 1.01 -1.26 -0.41 120.40 122.26 1tlu s VAL 107 Ca -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 1tlu s VAL 107 Cb -0.14 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 1tlu s VAL 107 CO -0.01 0.22 -0.12 -0.69 0.00 0.00 0.00 175.10 174.49 1tlu s VAL 108 N 0.57 3.11 -0.24 2.92 1.01 -0.56 -4.95 120.40 122.25 1tlu s VAL 108 Ca -0.08 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 1tlu s VAL 108 Cb -0.11 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1tlu s VAL 108 CO 0.00 0.51 0.06 -0.70 0.00 0.00 0.00 175.10 174.97 1tlu s GLU 109 N 0.50 3.64 0.01 2.72 2.12 -1.26 -0.44 118.70 125.99 1tlu s GLU 109 Ca -0.08 -0.49 0.00 0.00 0.36 0.00 0.00 54.97 54.76 1tlu s GLU 109 Cb -0.16 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 1tlu s GLU 109 CO 0.04 -0.17 0.08 -1.01 -0.54 0.00 0.00 175.26 173.66 1tlu s HIS 110 N 1.54 3.26 -0.50 5.30 3.76 0.12 -4.94 115.29 123.84 1tlu s HIS 110 Ca 0.06 0.18 -0.14 0.00 -0.15 0.00 0.00 55.06 55.01 1tlu s HIS 110 Cb -0.15 -1.71 0.11 0.00 1.11 0.00 0.00 32.58 31.93 1tlu s HIS 110 CO 0.03 0.54 0.42 -1.21 -0.85 0.00 0.00 174.74 173.67 1tlu s GLU 111 N -1.85 2.86 0.05 1.40 2.02 -1.26 -0.51 118.70 121.41 1tlu s GLU 111 Ca 0.24 -1.58 -0.27 0.00 0.02 0.00 0.00 54.97 53.38 1tlu s GLU 111 Cb -0.12 -4.13 -0.05 0.00 0.10 0.00 0.00 34.13 29.92 1tlu s GLU 111 CO 0.15 -1.18 0.84 1.03 0.02 0.00 0.00 175.26 176.12 1tlu s ARG 112 N 1.56 4.55 -0.72 1.61 1.81 -0.01 -4.11 118.95 123.64 1tlu s ARG 112 Ca 0.04 1.20 -0.02 0.00 -1.72 0.00 0.00 55.73 55.22 1tlu s ARG 112 Cb -0.27 -3.39 -0.02 0.00 -0.45 0.00 0.00 34.95 30.82 1tlu s ARG 112 CO 0.03 0.20 0.61 0.41 -0.68 0.00 0.00 175.30 175.88 1tlu n GLY 113 N 2.48 -0.26 3.77 -3.53 0.00 -1.26 -1.17 105.19 105.22 1tlu n GLY 113 Ca 0.00 0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1tlu n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tlu n ARG 114 N -2.79 2.60 -0.03 1.61 1.74 -1.26 -0.73 116.66 117.80 1tlu n ARG 114 Ca -0.11 0.91 0.01 0.00 -0.77 0.00 0.00 57.85 57.89 1tlu n ARG 114 Cb 0.59 -2.67 0.32 0.00 -1.02 0.00 0.00 32.46 29.68 1tlu n ARG 114 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1tlu h TYR 115 N 2.82 0.60 0.00 -1.55 0.05 -1.17 -2.18 116.97 115.54 1tlu h TYR 115 Ca -0.51 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.24 1tlu h TYR 115 Cb 1.25 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.80 1tlu h TYR 115 CO 0.52 0.50 0.00 -0.40 -1.05 0.00 0.00 178.16 177.73 1tlu n ASP 116 N -4.35 0.00 -0.10 3.88 5.68 -1.26 -3.29 116.55 117.12 1tlu n ASP 116 Ca 0.03 -0.15 -0.12 0.00 -0.50 0.00 0.00 54.79 54.05 1tlu n ASP 116 Cb 0.17 -0.27 -0.15 0.00 -1.14 0.00 0.00 41.12 39.74 1tlu n ASP 116 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1tlu n GLU 117 N -1.27 0.68 0.00 0.11 -0.58 -0.84 -5.27 120.64 113.47 1tlu n GLU 117 Ca 0.13 0.07 0.09 0.00 -0.42 0.00 0.00 57.16 57.03 1tlu n GLU 117 Cb 0.21 -1.55 0.08 0.00 -0.57 0.00 0.00 31.44 29.60 1tlu n GLU 117 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09