#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 -0.50 0.31 4.39 1.04 -1.26 -1.70 113.70 115.98 1tlu s SER 3 Ca 0.00 -0.09 -0.01 0.00 0.48 0.00 0.00 55.95 56.34 1tlu s SER 3 Cb 0.00 0.59 0.50 0.00 0.10 0.00 0.00 66.02 67.20 1tlu s SER 3 CO 0.00 -0.98 1.96 -0.07 0.98 0.00 0.00 173.24 175.14 1tlu h LEU 4 N 2.00 0.90 -8.02 2.42 3.38 -0.77 -3.46 115.31 111.77 1tlu h LEU 4 Ca -0.31 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 1tlu h LEU 4 Cb 1.29 -0.22 -0.12 0.00 0.09 0.00 0.00 40.66 41.71 1tlu h LEU 4 CO 0.35 0.64 -0.24 -0.83 0.09 0.00 0.00 178.44 178.45 1tlu s GLY 5 N -3.35 0.39 -0.09 0.83 0.00 -0.53 -3.09 107.32 101.48 1tlu s GLY 5 Ca -0.11 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 43.85 1tlu s GLY 5 CO 0.79 -0.72 -0.11 0.50 0.00 0.00 0.00 173.10 173.57 1tlu s ARG 6 N -3.96 2.96 -0.12 2.90 0.52 0.11 -1.41 118.95 119.96 1tlu s ARG 6 Ca 0.16 -0.63 -0.01 0.00 -0.52 0.00 0.00 55.73 54.73 1tlu s ARG 6 Cb 0.02 -2.57 0.03 0.00 0.52 0.00 0.00 34.95 32.95 1tlu s ARG 6 CO 0.00 0.47 -0.04 -1.58 0.02 0.00 0.00 175.30 174.18 1tlu s HIS 7 N -0.32 1.25 -0.26 -0.53 2.46 0.30 -0.38 115.29 117.82 1tlu s HIS 7 Ca 0.04 -0.66 -0.10 0.00 0.47 0.00 0.00 55.06 54.80 1tlu s HIS 7 Cb -0.13 -1.11 -0.05 0.00 -0.13 0.00 0.00 32.58 31.17 1tlu s HIS 7 CO 0.02 -0.49 0.16 -0.51 -2.47 0.00 0.00 174.74 171.45 1tlu s LEU 8 N 1.78 3.91 -0.40 8.88 1.43 0.29 0.56 118.68 135.13 1tlu s LEU 8 Ca 0.03 -0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 52.99 1tlu s LEU 8 Cb -0.14 -2.07 0.05 0.00 0.03 0.00 0.00 46.19 44.06 1tlu s LEU 8 CO -0.07 -0.02 0.26 -0.69 0.23 0.00 0.00 176.35 176.05 1tlu s VAL 9 N 1.57 4.64 0.01 -1.59 1.01 -0.15 -0.90 120.40 125.00 1tlu s VAL 9 Ca 0.07 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.12 1tlu s VAL 9 Cb -0.15 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1tlu s VAL 9 CO 0.08 -0.36 -0.25 0.00 0.00 0.00 0.00 175.10 174.57 1tlu s ALA 10 N 1.54 2.26 -0.25 5.51 0.00 0.11 -1.45 121.76 129.50 1tlu s ALA 10 Ca 0.03 -1.19 -0.05 0.00 0.00 0.00 0.00 51.96 50.74 1tlu s ALA 10 Cb -0.21 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 1tlu s ALA 10 CO 0.06 0.54 0.01 -1.21 0.00 0.00 0.00 175.76 175.16 1tlu s GLU 11 N -0.98 3.35 -0.23 0.00 0.41 0.37 -1.32 118.70 120.31 1tlu s GLU 11 Ca 0.11 -0.66 -0.07 0.00 -0.41 0.00 0.00 54.97 53.95 1tlu s GLU 11 Cb -0.10 -3.16 -0.03 0.00 -1.78 0.00 0.00 34.13 29.06 1tlu s GLU 11 CO 0.01 -0.26 0.05 -0.06 -0.49 0.00 0.00 175.26 174.51 1tlu s PHE 12 N 1.51 3.09 0.23 1.61 2.99 -0.35 -1.67 117.98 125.38 1tlu s PHE 12 Ca 0.05 -0.38 0.10 0.00 0.00 0.00 0.00 56.93 56.70 1tlu s PHE 12 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 43.02 40.66 1tlu s PHE 12 CO -0.00 -0.26 -0.10 0.71 -0.00 0.00 0.00 175.22 175.56 1tlu s TYR 13 N 1.27 2.55 -1.43 0.36 2.02 -0.27 -1.10 117.35 120.74 1tlu s TYR 13 Ca 0.04 -0.26 -0.02 0.00 -0.37 0.00 0.00 57.07 56.46 1tlu s TYR 13 Cb -0.15 -1.18 0.02 0.00 -0.40 0.00 0.00 41.96 40.25 1tlu s TYR 13 CO 0.03 0.59 0.48 0.39 -1.57 0.00 0.00 175.55 175.46 1tlu n GLU 14 N -0.38 -3.43 -2.12 -0.62 1.02 -0.59 -1.99 120.64 112.54 1tlu n GLU 14 Ca -0.08 0.42 -0.27 0.00 -0.02 0.00 0.00 57.16 57.20 1tlu n GLU 14 Cb 0.58 -4.64 0.10 0.00 -0.02 0.00 0.00 31.44 27.46 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 -4.64 5.73 0.48 0.00 -1.08 0.47 -4.78 116.67 112.86 1tlu s ASP 16 Ca 0.64 0.20 0.23 0.00 -0.52 0.00 0.00 52.55 53.11 1tlu s ASP 16 Cb -0.09 -2.54 1.27 0.00 -1.46 0.00 0.00 42.92 40.10 1tlu s ASP 16 CO 0.47 -2.04 1.90 0.03 0.52 0.00 0.00 175.17 176.05 1tlu h ARG 17 N 12.69 0.20 0.09 4.34 3.08 -1.89 -1.31 114.38 131.58 1tlu h ARG 17 Ca -0.27 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.76 1tlu h ARG 17 Cb 1.12 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1tlu h ARG 17 CO 1.21 0.13 -0.04 0.93 -1.07 0.00 0.00 179.97 181.13 1tlu h GLU 18 N 0.20 -0.11 -0.70 0.04 3.07 -1.93 -2.46 114.58 112.70 1tlu h GLU 18 Ca 0.41 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 1tlu h GLU 18 Cb 1.29 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.19 1tlu h GLU 18 CO -0.08 0.06 0.44 0.28 -1.40 0.00 0.00 179.01 178.30 1tlu h VAL 19 N -0.27 1.19 0.00 3.13 2.07 -1.66 -2.10 116.25 118.61 1tlu h VAL 19 Ca -0.01 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1tlu h VAL 19 Cb 0.23 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1tlu h VAL 19 CO 0.02 0.19 -0.16 -0.07 0.02 0.00 0.00 177.57 177.57 1tlu h LEU 20 N 0.95 0.00 -2.85 2.57 3.38 -1.08 -2.49 115.31 115.79 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 -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1tlu h LEU 20 CO -0.05 0.16 0.00 -0.67 0.09 0.00 0.00 178.44 177.97 1tlu n ASP 21 N -4.18 4.00 -4.28 -0.43 2.03 -0.82 -3.99 116.55 108.88 1tlu n ASP 21 Ca -0.02 -2.10 -0.45 0.00 0.52 0.00 0.00 54.79 52.74 1tlu n ASP 21 Cb 0.23 -0.48 -0.04 0.00 -0.72 0.00 0.00 41.12 40.11 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 -1.00 6.34 0.41 1.67 3.84 -0.94 -4.83 114.94 120.44 1tlu s ASN 22 Ca 0.46 -2.48 0.11 0.00 0.21 0.00 0.00 52.86 51.17 1tlu s ASN 22 Cb 0.26 -2.14 0.94 0.00 -0.55 0.00 0.00 41.25 39.76 1tlu s ASN 22 CO 0.29 -0.61 1.98 1.62 -2.79 0.00 0.00 177.10 177.60 1tlu h VAL 23 N 5.18 0.94 0.11 -5.21 3.04 -1.87 -0.47 116.25 117.97 1tlu h VAL 23 Ca -0.01 -0.17 -0.01 0.00 -1.01 0.00 0.00 66.70 65.50 1tlu h VAL 23 Cb 1.04 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.71 1tlu h VAL 23 CO 0.81 0.09 -0.05 1.56 -1.01 0.00 0.00 177.57 178.97 1tlu h GLN 24 N 0.51 -0.15 -0.43 4.17 7.50 -1.95 -2.59 115.11 122.17 1tlu h GLN 24 Ca 0.28 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.43 1tlu h GLN 24 Cb 0.43 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.97 1tlu h GLN 24 CO -0.08 0.23 0.21 1.25 -1.50 0.00 0.00 178.83 178.94 1tlu h LEU 25 N -0.55 0.55 -0.71 1.46 5.85 -1.83 -2.33 115.31 117.75 1tlu h LEU 25 Ca -0.02 -0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.66 1tlu h LEU 25 Cb 0.44 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 1tlu h LEU 25 CO 0.03 0.51 0.38 0.40 -0.34 0.00 0.00 178.44 179.42 1tlu h ILE 26 N 0.55 0.92 -0.26 4.05 1.08 -1.14 0.94 117.51 123.64 1tlu h ILE 26 Ca 0.15 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 1tlu h ILE 26 Cb 0.10 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 34.02 1tlu h ILE 26 CO -0.02 0.12 0.14 -0.08 -0.69 0.00 0.00 178.15 177.63 1tlu h GLU 27 N 0.68 0.37 -0.22 2.37 4.81 -1.24 0.23 114.58 121.57 1tlu h GLU 27 Ca 0.33 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.55 1tlu h GLU 27 Cb 0.27 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1tlu h GLU 27 CO -0.22 0.33 0.02 1.96 -0.73 0.00 0.00 179.01 180.37 1tlu h GLN 28 N 0.31 0.09 0.00 1.92 4.20 -0.77 -1.12 115.11 119.75 1tlu h GLN 28 Ca 0.09 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 1tlu h GLN 28 Cb 0.07 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1tlu h GLN 28 CO -0.01 0.06 -0.33 0.93 -0.67 0.00 0.00 178.83 178.80 1tlu h GLU 29 N 0.09 0.00 -0.16 1.46 4.39 -0.66 -1.88 114.58 117.83 1tlu h GLU 29 Ca 0.10 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.66 1tlu h GLU 29 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1tlu h GLU 29 CO -0.16 0.33 -0.45 0.52 -1.16 0.00 0.00 179.01 178.09 1tlu h MET 30 N 0.00 0.59 -0.04 2.33 2.86 -0.31 -1.72 114.93 118.64 1tlu h MET 30 Ca -0.00 -0.42 -0.12 0.00 -2.06 0.00 0.00 59.70 57.10 1tlu h MET 30 Cb 0.65 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1tlu h MET 30 CO 0.04 1.04 -0.51 0.87 1.06 0.00 0.00 176.91 179.41 1tlu h LYS 31 N 0.24 0.12 -0.06 1.72 1.57 -1.15 -2.27 116.57 116.74 1tlu h LYS 31 Ca -0.01 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 1tlu h LYS 31 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1tlu h LYS 31 CO 0.10 0.60 -0.48 0.37 -0.57 0.00 0.00 179.45 179.47 1tlu h GLN 32 N 0.09 0.14 -0.23 3.15 5.75 -1.29 -1.47 115.11 121.25 1tlu h GLN 32 Ca 0.00 -0.08 -0.16 0.00 -0.15 0.00 0.00 58.65 58.27 1tlu h GLN 32 Cb 0.94 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.49 1tlu h GLN 32 CO 0.07 0.60 -0.49 0.00 -2.65 0.00 0.00 178.83 176.36 1tlu h ALA 33 N 1.39 0.70 -0.43 3.38 0.00 -1.05 -1.37 119.26 121.89 1tlu h ALA 33 Ca 0.00 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1tlu h ALA 33 Cb 0.90 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1tlu h ALA 33 CO 0.07 0.67 -0.01 0.00 0.00 0.00 0.00 179.25 179.98 1tlu h ALA 34 N 0.96 1.17 -0.26 0.00 0.00 -0.98 -1.91 119.26 118.24 1tlu h ALA 34 Ca 0.02 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1tlu h ALA 34 Cb 1.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1tlu h ALA 34 CO 0.10 0.54 -0.03 -0.92 0.00 0.00 0.00 179.25 178.94 1tlu h TYR 35 N 0.66 0.52 -0.62 0.00 3.20 -0.95 -2.31 116.97 117.48 1tlu h TYR 35 Ca 0.13 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1tlu h TYR 35 Cb 0.43 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 1tlu h TYR 35 CO 0.02 0.66 0.37 0.93 -1.64 0.00 0.00 178.16 178.50 1tlu h GLU 36 N 0.24 0.83 0.00 1.82 4.39 -0.93 -2.12 114.58 118.81 1tlu h GLU 36 Ca 0.07 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1tlu h GLU 36 Cb 0.47 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1tlu h GLU 36 CO 0.02 0.58 0.00 0.66 -1.16 0.00 0.00 179.01 179.11 1tlu h SER 37 N 0.85 0.00 0.00 1.42 4.64 -1.31 -3.45 113.55 115.70 1tlu h SER 37 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1tlu h SER 37 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1tlu h SER 37 CO -0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.53 1tlu n GLY 38 N 0.31 0.91 3.88 -0.77 0.00 -0.80 -1.42 105.19 107.31 1tlu n GLY 38 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.01 3.36 -0.25 4.61 0.00 -0.88 -4.80 121.76 121.80 1tlu s ALA 39 Ca 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 51.96 51.64 1tlu s ALA 39 Cb 0.00 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 1tlu s ALA 39 CO 0.00 -0.03 0.13 0.99 0.00 0.00 0.00 175.76 176.85 1tlu s THR 40 N -2.40 4.96 -0.11 0.00 2.01 -1.26 -4.49 115.64 114.34 1tlu s THR 40 Ca 0.51 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.26 1tlu s THR 40 Cb -0.10 -3.32 -0.01 0.00 0.01 0.00 0.00 72.50 69.07 1tlu s THR 40 CO 0.32 0.33 1.08 -0.63 -0.69 0.00 0.00 174.62 175.04 1tlu s ILE 41 N 1.33 4.59 -0.19 1.82 1.01 -1.26 -3.02 121.20 125.48 1tlu s ILE 41 Ca 0.06 1.88 -0.23 0.00 0.00 0.00 0.00 60.65 62.36 1tlu s ILE 41 Cb -0.15 -4.21 -0.21 0.00 0.01 0.00 0.00 42.46 37.90 1tlu s ILE 41 CO 0.06 -0.03 0.36 0.58 0.00 0.00 0.00 174.94 175.90 1tlu h VAL 42 N 5.15 1.13 -2.89 2.92 2.07 -0.72 -3.49 116.25 120.43 1tlu h VAL 42 Ca -0.30 -2.23 0.06 0.00 0.82 0.00 0.00 66.70 65.06 1tlu h VAL 42 Cb 1.13 2.52 -0.08 0.00 -1.52 0.00 0.00 31.29 33.34 1tlu h VAL 42 CO 0.89 0.40 0.27 0.28 0.02 0.00 0.00 177.57 179.42 1tlu s THR 43 N -2.33 0.00 -0.09 2.57 -1.32 -1.08 -5.01 115.64 108.38 1tlu s THR 43 Ca -0.26 -0.62 -0.19 0.00 -1.21 0.00 0.00 61.69 59.41 1tlu s THR 43 Cb 0.04 -1.65 0.04 0.00 -1.51 0.00 0.00 72.50 69.42 1tlu s THR 43 CO 0.62 0.00 0.46 -0.94 -2.21 0.00 0.00 174.62 172.55 1tlu s SER 44 N -2.85 -0.42 -0.06 8.08 1.04 -1.26 0.10 113.70 118.33 1tlu s SER 44 Ca 0.08 0.59 -0.02 0.00 0.48 0.00 0.00 55.95 57.08 1tlu s SER 44 Cb -0.04 0.65 0.04 0.00 0.10 0.00 0.00 66.02 66.77 1tlu s SER 44 CO -0.00 -0.36 0.12 0.28 0.98 0.00 0.00 173.24 174.25 1tlu s THR 45 N -0.62 -0.10 -0.02 2.02 -1.32 -0.49 -4.99 115.64 110.12 1tlu s THR 45 Ca -0.07 0.25 0.06 0.00 -1.21 0.00 0.00 61.69 60.71 1tlu s THR 45 Cb -0.03 -0.21 -0.01 0.00 -1.51 0.00 0.00 72.50 70.73 1tlu s THR 45 CO 0.04 0.10 -0.20 -0.36 -2.21 0.00 0.00 174.62 171.99 1tlu s PHE 46 N 1.48 1.81 0.08 9.09 0.08 -1.26 -1.28 117.98 127.98 1tlu s PHE 46 Ca -0.05 -0.39 0.05 0.00 0.12 0.00 0.00 56.93 56.65 1tlu s PHE 46 Cb -0.12 -1.18 -0.03 0.00 -0.57 0.00 0.00 43.02 41.12 1tlu s PHE 46 CO -0.05 -0.07 -0.13 -1.01 -0.10 0.00 0.00 175.22 173.86 1tlu s HIS 47 N -0.35 1.16 -0.15 0.36 3.76 0.25 -4.98 115.29 115.34 1tlu s HIS 47 Ca 0.05 -0.50 -0.06 0.00 -0.15 0.00 0.00 55.06 54.40 1tlu s HIS 47 Cb -0.09 -0.65 -0.04 0.00 1.11 0.00 0.00 32.58 32.92 1tlu s HIS 47 CO 0.00 0.04 0.05 0.50 -0.85 0.00 0.00 174.74 174.49 1tlu s ARG 48 N -1.97 3.67 -0.11 1.40 3.52 -1.26 -0.51 118.95 123.68 1tlu s ARG 48 Ca -0.01 -0.34 -0.04 0.00 -0.13 0.00 0.00 55.73 55.21 1tlu s ARG 48 Cb -0.08 -3.10 -0.04 0.00 -1.56 0.00 0.00 34.95 30.17 1tlu s ARG 48 CO 0.02 0.44 0.06 0.12 -0.81 0.00 0.00 175.30 175.13 1tlu s PHE 49 N -0.11 3.32 0.02 5.12 2.19 0.18 -4.98 117.98 123.73 1tlu s PHE 49 Ca 0.06 0.28 0.02 0.00 0.33 0.00 0.00 56.93 57.63 1tlu s PHE 49 Cb -0.12 -1.89 -0.04 0.00 -1.31 0.00 0.00 43.02 39.66 1tlu s PHE 49 CO 0.01 0.50 0.01 -0.51 1.83 0.00 0.00 175.22 177.07 1tlu s LEU 50 N -0.71 3.56 0.30 6.12 1.02 -1.26 -2.93 118.68 124.78 1tlu s LEU 50 Ca 0.12 -0.03 0.08 0.00 0.02 0.00 0.00 54.13 54.32 1tlu s LEU 50 Cb -0.12 -2.12 0.47 0.00 0.02 0.00 0.00 46.19 44.44 1tlu s LEU 50 CO 0.02 0.25 1.70 1.55 0.02 0.00 0.00 176.35 179.89 1tlu h PRO 51 N 4.04 0.16 -4.37 1.29 0.13 -2.05 -3.49 132.00 127.71 1tlu h PRO 51 Ca -0.48 -0.08 -0.22 0.00 -0.87 0.00 0.00 66.00 64.34 1tlu h PRO 51 Cb 1.17 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 1tlu h PRO 51 CO 0.59 0.59 -0.71 0.71 -0.23 0.00 0.00 178.00 178.94 1tlu s TYR 52 N -4.03 0.56 0.00 1.56 2.02 -1.15 -5.14 117.35 111.18 1tlu s TYR 52 Ca -0.04 -0.62 0.00 0.00 -0.37 0.00 0.00 57.07 56.04 1tlu s TYR 52 Cb 0.13 -0.35 0.00 0.00 -0.40 0.00 0.00 41.96 41.34 1tlu s TYR 52 CO 0.76 -0.15 0.00 0.41 -1.57 0.00 0.00 175.55 175.00 1tlu n GLY 53 N 1.16 3.58 3.11 0.71 0.00 -1.17 -4.63 105.19 107.95 1tlu n GLY 53 Ca -0.21 -1.64 -0.18 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.78 0.91 -0.02 1.61 1.01 -1.25 0.52 120.40 121.40 1tlu s VAL 54 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1tlu s VAL 54 Cb 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 36.38 35.55 1tlu s VAL 54 CO 0.00 -0.07 0.01 -0.44 0.00 0.00 0.00 175.10 174.60 1tlu s SER 55 N -1.14 0.23 -0.00 3.32 0.01 0.33 -1.08 113.70 115.38 1tlu s SER 55 Ca -0.01 0.00 -0.21 0.00 1.31 0.00 0.00 55.95 57.04 1tlu s SER 55 Cb -0.08 -0.14 0.04 0.00 0.21 0.00 0.00 66.02 66.06 1tlu s SER 55 CO 0.01 -0.10 0.47 -0.83 0.41 0.00 0.00 173.24 173.20 1tlu s GLY 56 N 0.96 -0.35 -0.02 3.44 0.00 -0.77 0.84 107.32 111.42 1tlu s GLY 56 Ca -0.09 0.65 0.02 0.00 0.00 0.00 0.00 44.72 45.30 1tlu s GLY 56 CO -0.02 0.37 -0.06 0.54 0.00 0.00 0.00 173.10 173.94 1tlu s VAL 57 N -1.72 0.50 -0.30 1.40 0.11 -0.40 -1.77 120.40 118.22 1tlu s VAL 57 Ca -0.10 -0.21 -0.02 0.00 -2.93 0.00 0.00 61.98 58.73 1tlu s VAL 57 Cb -0.02 -0.47 0.05 0.00 -1.53 0.00 0.00 36.38 34.41 1tlu s VAL 57 CO 0.04 0.17 -0.00 -0.69 -3.33 0.00 0.00 175.10 171.28 1tlu s VAL 58 N 0.25 2.98 -0.17 2.04 1.01 0.15 -1.39 120.40 125.27 1tlu s VAL 58 Ca -0.03 -1.37 -0.28 0.00 0.00 0.00 0.00 61.98 60.30 1tlu s VAL 58 Cb -0.07 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.60 1tlu s VAL 58 CO -0.00 -0.09 0.98 -0.69 0.00 0.00 0.00 175.10 175.30 1tlu s VAL 59 N 1.26 4.76 0.36 2.92 1.01 0.11 -1.32 120.40 129.51 1tlu s VAL 59 Ca -0.05 1.94 0.01 0.00 0.00 0.00 0.00 61.98 63.89 1tlu s VAL 59 Cb -0.20 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 31.93 1tlu s VAL 59 CO -0.01 -0.06 0.11 2.30 0.00 0.00 0.00 175.10 177.44 1tlu n ILE 60 N 4.90 0.00 -1.55 2.22 -5.35 -0.62 0.01 119.36 118.97 1tlu n ILE 60 Ca 0.09 -1.59 -0.41 0.00 -0.27 0.00 0.00 62.75 60.57 1tlu n ILE 60 Cb 0.48 0.13 -0.04 0.00 -1.74 0.00 0.00 39.64 38.46 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 -1.49 2.55 0.00 7.28 2.88 -1.17 -2.58 113.62 121.10 1tlu n SER 61 Ca -0.09 -0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 1tlu n SER 61 Cb 0.44 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 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 8.80 -0.09 0.00 -1.46 1.02 -1.26 -4.53 120.64 123.12 1tlu n GLU 62 Ca 0.36 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 1tlu n GLU 62 Cb 0.45 -3.63 0.00 0.00 -0.02 0.00 0.00 31.44 28.24 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 -0.04 0.00 -3.83 1.62 3.41 -1.06 -4.92 113.62 108.79 1tlu n SER 63 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 1tlu n SER 63 Cb 0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 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 -1.49 -0.20 -0.09 7.33 -3.43 -0.76 -1.59 115.29 115.05 1tlu s HIS 64 Ca 0.00 -0.23 -0.00 0.00 -0.80 0.00 0.00 55.06 54.03 1tlu s HIS 64 Cb 0.00 0.70 0.02 0.00 -1.43 0.00 0.00 32.58 31.87 1tlu s HIS 64 CO 0.00 -1.19 -0.06 -0.51 -2.00 0.00 0.00 174.74 170.97 1tlu s LEU 65 N -2.91 1.15 0.16 5.38 1.43 -0.43 -1.02 118.68 122.44 1tlu s LEU 65 Ca 0.11 -0.24 0.06 0.00 -1.03 0.00 0.00 54.13 53.02 1tlu s LEU 65 Cb -0.05 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.40 1tlu s LEU 65 CO 0.06 -0.10 -0.12 0.42 0.23 0.00 0.00 176.35 176.83 1tlu s THR 66 N 1.52 1.35 -0.19 5.49 -4.23 -0.11 0.32 115.64 119.78 1tlu s THR 66 Ca 0.00 -2.06 -0.18 0.00 -1.18 0.00 0.00 61.69 58.28 1tlu s THR 66 Cb -0.13 -1.86 0.05 0.00 1.34 0.00 0.00 72.50 71.90 1tlu s THR 66 CO -0.05 -0.66 0.52 -0.51 -0.54 0.00 0.00 174.62 173.38 1tlu s ILE 67 N -3.07 0.00 -0.05 2.99 2.07 -0.73 -1.45 121.20 120.96 1tlu s ILE 67 Ca 0.17 -0.01 -0.02 0.00 -1.41 0.00 0.00 60.65 59.38 1tlu s ILE 67 Cb 0.01 -0.73 0.03 0.00 0.13 0.00 0.00 42.46 41.90 1tlu s ILE 67 CO 0.03 -0.00 0.06 -1.00 -1.91 0.00 0.00 174.94 172.12 1tlu s HIS 68 N 0.24 0.07 0.11 3.50 3.76 -0.41 -1.84 115.29 120.73 1tlu s HIS 68 Ca -0.00 0.21 0.06 0.00 -0.15 0.00 0.00 55.06 55.17 1tlu s HIS 68 Cb -0.04 -0.50 -0.04 0.00 1.11 0.00 0.00 32.58 33.12 1tlu s HIS 68 CO 0.01 -0.22 -0.01 0.95 -0.85 0.00 0.00 174.74 174.62 1tlu s THR 69 N 2.17 3.91 -0.55 1.30 -4.23 -0.24 -0.42 115.64 117.58 1tlu s THR 69 Ca 0.05 -1.10 0.04 0.00 -1.18 0.00 0.00 61.69 59.50 1tlu s THR 69 Cb -0.12 -2.89 0.17 0.00 1.34 0.00 0.00 72.50 71.00 1tlu s THR 69 CO -0.04 0.07 0.41 0.26 -0.54 0.00 0.00 174.62 174.78 1tlu s TRP 70 N -1.40 2.34 0.41 3.99 0.51 -0.21 -3.75 118.94 120.83 1tlu s TRP 70 Ca 0.26 -2.82 0.19 0.00 -2.12 0.00 0.00 56.10 51.61 1tlu s TRP 70 Cb -0.11 -1.84 1.12 0.00 -0.81 0.00 0.00 33.47 31.83 1tlu s TRP 70 CO 0.18 -0.69 1.78 -1.35 -0.51 0.00 0.00 176.95 176.36 1tlu h PRO 71 N 5.60 0.37 0.00 4.98 0.11 -1.85 0.12 132.00 141.32 1tlu h PRO 71 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1tlu h PRO 71 Cb 0.84 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1tlu h PRO 71 CO 0.54 0.24 0.02 1.05 -0.21 0.00 0.00 178.00 179.64 1tlu h GLU 72 N 0.38 0.00 0.00 1.05 9.09 -1.93 -2.26 114.58 120.91 1tlu h GLU 72 Ca 0.58 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.99 1tlu h GLU 72 Cb 1.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.61 1tlu h GLU 72 CO -0.27 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.45 1tlu n TYR 73 N -3.05 0.00 -2.06 2.06 4.01 0.32 -4.99 117.16 113.45 1tlu n TYR 73 Ca -0.03 -0.05 -0.19 0.00 -0.16 0.00 0.00 57.90 57.47 1tlu n TYR 73 Cb 0.08 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.07 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 -0.05 0.44 3.65 2.72 0.00 -0.68 -4.49 105.19 106.78 1tlu n GLY 74 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.88 2.91 -0.07 1.61 5.04 -1.13 -0.78 117.35 122.04 1tlu s TYR 75 Ca 0.00 -0.06 -0.04 0.00 -2.44 0.00 0.00 57.07 54.52 1tlu s TYR 75 Cb 0.00 -1.51 0.03 0.00 0.35 0.00 0.00 41.96 40.83 1tlu s TYR 75 CO 0.00 0.45 0.16 0.00 -1.34 0.00 0.00 175.55 174.83 1tlu s ALA 76 N -1.25 -0.35 -0.36 3.97 0.00 -0.26 -1.04 121.76 122.47 1tlu s ALA 76 Ca 0.23 0.64 -0.13 0.00 0.00 0.00 0.00 51.96 52.70 1tlu s ALA 76 Cb -0.11 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1tlu s ALA 76 CO 0.16 -0.13 0.25 0.00 0.00 0.00 0.00 175.76 176.04 1tlu s ALA 77 N 0.80 3.49 0.01 0.00 0.00 0.44 -1.21 121.76 125.29 1tlu s ALA 77 Ca -0.06 -1.46 0.07 0.00 0.00 0.00 0.00 51.96 50.51 1tlu s ALA 77 Cb -0.08 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 1tlu s ALA 77 CO -0.04 -1.09 -0.20 0.42 0.00 0.00 0.00 175.76 174.85 1tlu s ILE 78 N 1.71 2.60 -0.07 0.00 1.01 -0.43 -1.28 121.20 124.73 1tlu s ILE 78 Ca 0.06 -1.10 -0.00 0.00 0.00 0.00 0.00 60.65 59.60 1tlu s ILE 78 Cb -0.18 -2.03 0.02 0.00 0.01 0.00 0.00 42.46 40.29 1tlu s ILE 78 CO 0.10 0.45 -0.03 -1.81 0.00 0.00 0.00 174.94 173.65 1tlu s ASP 79 N -1.08 1.46 -0.44 3.58 1.01 -0.53 -0.71 116.67 119.96 1tlu s ASP 79 Ca 0.13 -0.15 0.03 0.00 0.71 0.00 0.00 52.55 53.27 1tlu s ASP 79 Cb -0.10 -0.53 0.12 0.00 1.01 0.00 0.00 42.92 43.42 1tlu s ASP 79 CO 0.02 -0.12 0.19 -0.76 0.21 0.00 0.00 175.17 174.71 1tlu s LEU 80 N 1.47 3.77 -0.31 1.23 1.43 -0.08 -0.93 118.68 125.26 1tlu s LEU 80 Ca -0.02 -2.57 -0.07 0.00 -1.03 0.00 0.00 54.13 50.44 1tlu s LEU 80 Cb -0.13 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.71 1tlu s LEU 80 CO -0.03 -0.29 0.09 0.12 0.23 0.00 0.00 176.35 176.47 1tlu s PHE 81 N 0.35 3.17 0.15 0.29 5.36 -0.19 -0.55 117.98 126.56 1tlu s PHE 81 Ca 0.15 -1.03 0.08 0.00 -0.96 0.00 0.00 56.93 55.18 1tlu s PHE 81 Cb -0.23 -2.27 -0.04 0.00 -0.34 0.00 0.00 43.02 40.14 1tlu s PHE 81 CO -0.04 -0.60 -0.19 0.95 -1.46 0.00 0.00 175.22 173.88 1tlu s THR 82 N 1.49 1.80 -0.08 0.12 -4.23 0.49 -1.82 115.64 113.41 1tlu s THR 82 Ca 0.02 -1.80 0.04 0.00 -1.18 0.00 0.00 61.69 58.77 1tlu s THR 82 Cb -0.18 -1.76 -0.00 0.00 1.34 0.00 0.00 72.50 71.90 1tlu s THR 82 CO 0.03 -0.23 -0.22 0.00 -0.54 0.00 0.00 174.62 173.66 1tlu n GLY 84 N 3.38 2.24 0.24 0.00 0.00 -1.18 -4.65 105.19 105.22 1tlu n GLY 84 Ca -0.19 -1.64 0.05 0.00 0.00 0.00 0.00 46.02 44.24 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 0.10 0.00 1.61 3.07 -1.95 -2.66 114.58 114.74 1tlu h GLU 85 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1tlu h GLU 85 Cb 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 1tlu h GLU 85 CO 0.00 0.21 0.00 -0.40 -1.40 0.00 0.00 179.01 177.42 1tlu n ASP 86 N -4.36 0.00 -4.15 1.42 5.75 -1.26 -4.55 116.55 109.40 1tlu n ASP 86 Ca -0.02 0.32 -0.33 0.00 -0.01 0.00 0.00 54.79 54.75 1tlu n ASP 86 Cb 0.21 -0.42 -0.16 0.00 -1.03 0.00 0.00 41.12 39.73 1tlu n ASP 86 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1tlu s VAL 87 N -2.83 2.25 -0.33 2.12 1.01 -1.01 -4.71 120.40 116.90 1tlu s VAL 87 Ca 0.11 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 1tlu s VAL 87 Cb 0.10 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.55 1tlu s VAL 87 CO 0.27 0.52 0.12 -0.62 0.00 0.00 0.00 175.10 175.38 1tlu s ASP 88 N 1.32 5.35 0.56 3.32 2.15 -0.51 -4.78 116.67 124.07 1tlu s ASP 88 Ca 0.05 -0.97 0.31 0.00 0.43 0.00 0.00 52.55 52.36 1tlu s ASP 88 Cb -0.13 -1.90 1.66 0.00 -0.30 0.00 0.00 42.92 42.24 1tlu s ASP 88 CO -0.12 -0.30 2.15 1.55 -0.17 0.00 0.00 175.17 178.29 1tlu h PRO 89 N 8.27 0.00 0.00 4.34 0.13 -1.90 -2.35 132.00 140.49 1tlu h PRO 89 Ca -0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 1tlu h PRO 89 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1tlu h PRO 89 CO 0.62 0.07 -0.11 -1.49 -0.23 0.00 0.00 178.00 176.86 1tlu h TRP 90 N 0.00 0.00 -0.14 1.56 4.06 -1.95 -1.17 115.95 118.31 1tlu h TRP 90 Ca -0.00 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.81 1tlu h TRP 90 Cb 0.23 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.38 1tlu h TRP 90 CO 0.00 0.11 -0.51 0.87 -3.56 0.00 0.00 178.44 175.34 1tlu h LYS 91 N 0.00 0.40 -0.26 0.49 1.79 -1.74 -1.20 116.57 116.04 1tlu h LYS 91 Ca -0.00 -0.24 -0.14 0.00 -2.18 0.00 0.00 60.65 58.10 1tlu h LYS 91 Cb 0.47 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1tlu h LYS 91 CO 0.01 0.82 -0.38 0.00 -1.08 0.00 0.00 179.45 178.83 1tlu h ALA 92 N 1.14 0.40 -0.22 3.86 0.00 -1.39 -2.81 119.26 120.24 1tlu h ALA 92 Ca 0.01 -0.44 0.03 0.00 0.00 0.00 0.00 54.91 54.51 1tlu h ALA 92 Cb 1.01 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1tlu h ALA 92 CO 0.09 0.48 0.01 0.35 0.00 0.00 0.00 179.25 180.18 1tlu h PHE 93 N 0.45 0.01 -0.49 0.00 3.57 -1.03 -1.78 116.94 117.66 1tlu h PHE 93 Ca 0.03 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.59 1tlu h PHE 93 Cb 0.97 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 1tlu h PHE 93 CO 0.08 -0.02 0.24 1.49 -2.23 0.00 0.00 178.31 177.87 1tlu h GLU 94 N 0.08 0.46 -0.50 1.11 4.57 -1.21 0.14 114.58 119.23 1tlu h GLU 94 Ca 0.10 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 1tlu h GLU 94 Cb 0.12 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1tlu h GLU 94 CO -0.16 0.31 0.12 1.25 -1.18 0.00 0.00 179.01 179.35 1tlu h HIS 95 N 0.48 0.84 -0.49 0.92 2.76 -1.25 -2.46 115.15 115.94 1tlu h HIS 95 Ca 0.22 -0.10 -0.12 0.00 -2.20 0.00 0.00 60.37 58.17 1tlu h HIS 95 Cb 0.14 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 1tlu h HIS 95 CO -0.11 0.75 -0.16 -0.07 -1.30 0.00 0.00 177.93 177.04 1tlu h LEU 96 N 0.69 0.97 -0.68 0.26 3.38 -1.01 0.07 115.31 118.99 1tlu h LEU 96 Ca 0.16 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1tlu h LEU 96 Cb 0.33 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1tlu h LEU 96 CO 0.00 1.11 0.44 0.50 0.09 0.00 0.00 178.44 180.58 1tlu h LYS 97 N 0.84 0.86 -0.17 1.13 3.11 -0.59 0.34 116.57 122.09 1tlu h LYS 97 Ca 0.12 -0.05 -0.06 0.00 -2.81 0.00 0.00 60.65 57.85 1tlu h LYS 97 Cb 0.72 -0.19 -0.00 0.00 -1.00 0.00 0.00 32.23 31.75 1tlu h LYS 97 CO 0.05 0.57 -0.13 0.87 -2.81 0.00 0.00 179.45 178.01 1tlu h LYS 98 N 0.89 0.39 -0.82 1.90 1.79 -1.26 -2.05 116.57 117.40 1tlu h LYS 98 Ca 0.26 -0.19 0.01 0.00 -2.18 0.00 0.00 60.65 58.55 1tlu h LYS 98 Cb -0.06 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.55 1tlu h LYS 98 CO -0.07 0.73 0.54 0.00 -1.08 0.00 0.00 179.45 179.57 1tlu h ALA 99 N 0.65 1.04 -0.00 3.86 0.00 -0.62 -2.87 119.26 121.31 1tlu h ALA 99 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1tlu h ALA 99 Cb 0.64 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1tlu h ALA 99 CO 0.03 0.45 -0.40 1.28 0.00 0.00 0.00 179.25 180.62 1tlu n LEU 100 N -4.51 0.59 -3.73 0.00 4.32 0.08 -4.94 117.00 108.81 1tlu n LEU 100 Ca 0.08 -0.03 -0.27 0.00 -0.02 0.00 0.00 56.01 55.78 1tlu n LEU 100 Cb 0.01 -0.23 0.06 0.00 -1.62 0.00 0.00 43.42 41.64 1tlu n LEU 100 CO 0.36 0.13 0.19 0.29 -1.22 0.00 0.00 177.39 177.15 1tlu n LYS 101 N -1.27 -7.02 -2.01 3.23 5.02 -0.78 -0.40 118.16 114.94 1tlu n LYS 101 Ca 0.08 0.74 -0.41 0.00 -2.02 0.00 0.00 58.31 56.69 1tlu n LYS 101 Cb 0.34 -5.73 -0.02 0.00 -0.02 0.00 0.00 35.03 29.60 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 -3.31 3.54 -0.35 7.82 0.00 -1.18 -4.22 121.76 124.05 1tlu s ALA 102 Ca 0.62 1.36 0.22 0.00 0.00 0.00 0.00 51.96 54.17 1tlu s ALA 102 Cb -0.29 -3.53 -0.19 0.00 0.00 0.00 0.00 23.12 19.11 1tlu s ALA 102 CO 0.77 -0.78 0.74 1.63 0.00 0.00 0.00 175.76 178.12 1tlu n LYS 103 N 0.91 0.46 -3.77 0.00 5.02 -0.84 -4.93 118.16 115.00 1tlu n LYS 103 Ca 0.01 -0.08 -0.13 0.00 -2.02 0.00 0.00 58.31 56.09 1tlu n LYS 103 Cb 0.41 -1.57 -0.12 0.00 -0.02 0.00 0.00 35.03 33.73 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 -3.34 0.27 0.03 1.97 3.52 -1.21 -5.05 118.95 115.14 1tlu s ARG 104 Ca -0.02 0.39 -0.02 0.00 -0.13 0.00 0.00 55.73 55.95 1tlu s ARG 104 Cb 0.14 0.07 -0.02 0.00 -1.56 0.00 0.00 34.95 33.58 1tlu s ARG 104 CO 0.86 -0.07 0.01 0.14 -0.81 0.00 0.00 175.30 175.44 1tlu s VAL 105 N 0.41 0.13 -0.05 7.11 -7.23 -1.26 -1.11 120.40 118.41 1tlu s VAL 105 Ca -0.02 -1.09 0.00 0.00 -1.81 0.00 0.00 61.98 59.05 1tlu s VAL 105 Cb -0.04 -0.63 0.02 0.00 0.56 0.00 0.00 36.38 36.29 1tlu s VAL 105 CO -0.02 -0.60 -0.02 -2.28 -0.31 0.00 0.00 175.10 171.87 1tlu s HIS 106 N -2.13 0.61 -0.03 2.82 5.04 -0.67 -4.98 115.29 115.94 1tlu s HIS 106 Ca -0.09 -0.14 0.02 0.00 -1.54 0.00 0.00 55.06 53.31 1tlu s HIS 106 Cb -0.05 -0.63 0.01 0.00 0.04 0.00 0.00 32.58 31.95 1tlu s HIS 106 CO -0.03 -0.21 -0.07 0.08 -2.34 0.00 0.00 174.74 172.16 1tlu s VAL 107 N 1.25 0.67 -0.11 0.89 1.01 -1.26 -0.48 120.40 122.37 1tlu s VAL 107 Ca -0.06 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1tlu s VAL 107 Cb -0.14 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 1tlu s VAL 107 CO -0.02 0.23 -0.18 0.54 0.00 0.00 0.00 175.10 175.67 1tlu s VAL 108 N 0.42 2.59 -0.25 2.92 0.11 -0.53 -4.96 120.40 120.71 1tlu s VAL 108 Ca -0.06 -0.83 -0.08 0.00 -2.93 0.00 0.00 61.98 58.07 1tlu s VAL 108 Cb -0.10 -2.05 -0.04 0.00 -1.53 0.00 0.00 36.38 32.67 1tlu s VAL 108 CO 0.01 0.54 0.10 -0.70 -3.33 0.00 0.00 175.10 171.72 1tlu s GLU 109 N 0.29 3.77 -0.00 1.54 2.12 -1.26 -0.97 118.70 124.19 1tlu s GLU 109 Ca -0.13 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 54.78 1tlu s GLU 109 Cb -0.17 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 1tlu s GLU 109 CO 0.07 -0.13 0.05 -1.01 -0.54 0.00 0.00 175.26 173.70 1tlu s HIS 110 N 1.51 3.22 -0.26 5.30 3.76 0.19 -4.94 115.29 124.06 1tlu s HIS 110 Ca 0.06 0.17 -0.15 0.00 -0.15 0.00 0.00 55.06 54.98 1tlu s HIS 110 Cb -0.15 -1.72 -0.04 0.00 1.11 0.00 0.00 32.58 31.79 1tlu s HIS 110 CO 0.05 0.52 0.39 -1.21 -0.85 0.00 0.00 174.74 173.65 1tlu s GLU 111 N -1.66 4.04 -0.18 1.40 2.02 -1.26 -0.53 118.70 122.52 1tlu s GLU 111 Ca 0.22 0.09 -0.08 0.00 0.02 0.00 0.00 54.97 55.22 1tlu s GLU 111 Cb -0.12 -3.64 -0.04 0.00 0.10 0.00 0.00 34.13 30.43 1tlu s GLU 111 CO 0.12 -0.25 0.07 1.03 0.02 0.00 0.00 175.26 176.26 1tlu s ARG 112 N 1.99 3.97 -0.70 1.61 1.81 -0.50 -4.59 118.95 122.53 1tlu s ARG 112 Ca 0.16 -0.32 -0.03 0.00 -1.72 0.00 0.00 55.73 53.83 1tlu s ARG 112 Cb -0.16 -3.24 -0.03 0.00 -0.45 0.00 0.00 34.95 31.08 1tlu s ARG 112 CO 0.09 0.31 0.61 0.41 -0.68 0.00 0.00 175.30 176.04 1tlu n GLY 113 N 3.43 -0.34 3.74 -3.53 0.00 -1.26 -1.46 105.19 105.77 1tlu n GLY 113 Ca -0.17 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1tlu n GLY 113 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tlu s ARG 114 N -4.15 4.13 0.31 1.61 0.52 -1.26 -1.18 118.95 118.93 1tlu s ARG 114 Ca 0.22 2.57 0.05 0.00 -0.52 0.00 0.00 55.73 58.05 1tlu s ARG 114 Cb -0.03 -3.05 0.67 0.00 0.52 0.00 0.00 34.95 33.06 1tlu s ARG 114 CO 0.48 -0.67 1.84 1.88 0.02 0.00 0.00 175.30 178.85 1tlu h TYR 115 N 5.60 1.02 0.00 -0.53 0.05 -1.68 0.28 116.97 121.70 1tlu h TYR 115 Ca -0.45 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.36 1tlu h TYR 115 Cb 1.21 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 38.63 1tlu h TYR 115 CO 0.61 0.38 0.00 -0.40 -1.05 0.00 0.00 178.16 177.69 1tlu n ASP 116 N -4.61 0.00 -0.11 3.88 3.85 -1.26 -3.35 116.55 114.95 1tlu n ASP 116 Ca 0.19 0.48 -0.15 0.00 -0.71 0.00 0.00 54.79 54.59 1tlu n ASP 116 Cb 0.42 -0.49 -0.13 0.00 -1.35 0.00 0.00 41.12 39.56 1tlu n ASP 116 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1tlu n GLU 117 N -1.49 0.67 0.00 0.11 -0.58 0.00 -5.27 120.64 114.08 1tlu n GLU 117 Ca 0.05 0.11 0.14 0.00 -0.42 0.00 0.00 57.16 57.04 1tlu n GLU 117 Cb 0.23 -1.53 0.63 0.00 -0.57 0.00 0.00 31.44 30.20 1tlu n GLU 117 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09