#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t1j s MET 1 N 0.00 4.02 0.55 -1.40 1.75 -1.26 -5.03 119.30 117.93 1t1j s MET 1 Ca 0.00 0.95 -0.09 0.00 -1.25 0.00 0.00 55.69 55.30 1t1j s MET 1 Cb 0.00 -3.75 -0.04 0.00 2.84 0.00 0.00 34.83 33.88 1t1j s MET 1 CO 0.00 -0.90 0.92 1.03 -0.65 0.00 0.00 175.02 175.42 1t1j s ARG 2 N 3.58 3.59 -0.41 4.11 0.52 -1.26 -4.87 118.95 124.21 1t1j s ARG 2 Ca 0.43 0.52 0.02 0.00 -0.52 0.00 0.00 55.73 56.18 1t1j s ARG 2 Cb -0.12 -2.22 0.12 0.00 0.52 0.00 0.00 34.95 33.25 1t1j s ARG 2 CO 0.16 -0.39 0.18 0.15 0.02 0.00 0.00 175.30 175.42 1t1j s LYS 3 N -4.91 1.36 -0.20 3.54 1.02 -1.26 -0.78 119.74 118.51 1t1j s LYS 3 Ca 0.52 -1.93 -0.07 0.00 0.02 0.00 0.00 55.97 54.51 1t1j s LYS 3 Cb -0.11 -2.66 -0.04 0.00 -0.52 0.00 0.00 37.83 34.50 1t1j s LYS 3 CO 0.49 -1.07 0.07 0.42 -0.92 0.00 0.00 175.35 174.33 1t1j s ILE 4 N 0.58 4.67 -0.28 2.17 1.01 -0.00 -0.66 121.20 128.69 1t1j s ILE 4 Ca 0.14 -0.07 -0.19 0.00 0.00 0.00 0.00 60.65 60.54 1t1j s ILE 4 Cb -0.22 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.10 1t1j s ILE 4 CO -0.07 0.42 0.56 0.12 0.00 0.00 0.00 174.94 175.98 1t1j s PHE 5 N 0.75 3.25 -0.39 3.97 2.19 -0.16 -0.71 117.98 126.87 1t1j s PHE 5 Ca 0.04 0.63 -0.13 0.00 0.33 0.00 0.00 56.93 57.80 1t1j s PHE 5 Cb -0.13 -2.82 0.03 0.00 -1.31 0.00 0.00 43.02 38.78 1t1j s PHE 5 CO 0.02 -0.35 0.25 -1.17 1.83 0.00 0.00 175.22 175.80 1t1j s LEU 6 N 2.42 4.90 0.27 6.12 2.96 -0.17 -1.09 118.68 134.08 1t1j s LEU 6 Ca 0.23 -0.98 0.03 0.00 -0.22 0.00 0.00 54.13 53.19 1t1j s LEU 6 Cb -0.15 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1t1j s LEU 6 CO 0.10 -0.42 0.41 0.00 -1.32 0.00 0.00 176.35 175.12 1t1j s ALA 7 N 1.60 3.86 -0.17 5.97 0.00 -0.11 -2.73 121.76 130.17 1t1j s ALA 7 Ca 0.03 -1.10 -0.28 0.00 0.00 0.00 0.00 51.96 50.61 1t1j s ALA 7 Cb -0.19 -1.86 0.08 0.00 0.00 0.00 0.00 23.12 21.15 1t1j s ALA 7 CO 0.08 0.19 0.75 0.00 0.00 0.00 0.00 175.76 176.78 1t1j s PRO 9 N -0.38 3.50 0.00 0.00 0.04 -1.26 -4.85 135.00 132.05 1t1j s PRO 9 Ca -0.04 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1t1j s PRO 9 Cb -0.03 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1t1j s PRO 9 CO 0.04 -0.79 0.00 0.98 0.04 0.00 0.00 177.00 177.27 1t1j n TYR 10 N -0.81 0.00 -1.54 0.56 4.19 -1.26 -4.87 117.16 113.44 1t1j n TYR 10 Ca 0.09 0.00 -0.49 0.00 3.31 0.00 0.00 57.90 60.81 1t1j n TYR 10 Cb 0.48 0.05 -0.04 0.00 0.49 0.00 0.00 39.34 40.32 1t1j n TYR 10 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1t1j n SER 11 N -1.40 0.66 -3.55 2.98 7.64 -1.26 -4.56 113.62 114.13 1t1j n SER 11 Ca 0.00 1.15 -0.15 0.00 1.01 0.00 0.00 58.87 60.88 1t1j n SER 11 Cb 0.00 -1.14 -0.06 0.00 -1.01 0.00 0.00 64.21 62.00 1t1j n SER 11 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1t1j s HIS 12 N -0.47 -0.56 0.22 1.43 5.04 -1.26 -5.01 115.29 114.68 1t1j s HIS 12 Ca 0.71 1.01 -0.09 0.00 -1.54 0.00 0.00 55.06 55.15 1t1j s HIS 12 Cb -0.89 0.41 0.19 0.00 0.04 0.00 0.00 32.58 32.33 1t1j s HIS 12 CO 0.55 -0.48 1.88 0.00 -2.34 0.00 0.00 174.74 174.34 1t1j h ALA 13 N 3.02 1.06 -2.07 1.58 0.00 -2.02 -3.40 119.26 117.44 1t1j h ALA 13 Ca -0.24 -0.08 -0.61 0.00 0.00 0.00 0.00 54.91 53.97 1t1j h ALA 13 Cb 1.15 -0.34 -0.12 0.00 0.00 0.00 0.00 17.79 18.49 1t1j h ALA 13 CO 0.33 0.51 0.42 0.34 0.00 0.00 0.00 179.25 180.85 1t1j s ASP 14 N -6.03 6.50 0.52 0.00 -1.08 -1.26 -4.94 116.67 110.37 1t1j s ASP 14 Ca -0.13 0.15 0.27 0.00 -0.52 0.00 0.00 52.55 52.32 1t1j s ASP 14 Cb 0.16 -2.41 1.39 0.00 -1.46 0.00 0.00 42.92 40.60 1t1j s ASP 14 CO 0.80 -0.87 1.93 0.00 0.52 0.00 0.00 175.17 177.55 1t1j h ALA 15 N 8.79 2.61 -0.11 3.66 0.00 -2.01 0.32 119.26 132.52 1t1j h ALA 15 Ca -0.24 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1t1j h ALA 15 Cb 1.09 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1t1j h ALA 15 CO 0.96 -0.83 -0.42 1.49 0.00 0.00 0.00 179.25 180.45 1t1j h GLU 16 N 0.06 0.26 -0.32 0.00 4.57 -1.95 -1.66 114.58 115.54 1t1j h GLU 16 Ca 0.36 -0.13 -0.17 0.00 -1.18 0.00 0.00 59.36 58.25 1t1j h GLU 16 Cb 1.34 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.92 1t1j h GLU 16 CO -0.03 0.64 -0.46 0.28 -1.18 0.00 0.00 179.01 178.27 1t1j h VAL 17 N 0.22 1.28 -0.45 0.32 2.07 -1.33 -0.83 116.25 117.52 1t1j h VAL 17 Ca 0.02 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 1t1j h VAL 17 Cb 0.84 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 1t1j h VAL 17 CO 0.07 0.54 0.22 0.58 0.02 0.00 0.00 177.57 179.00 1t1j h VAL 18 N 0.67 1.18 -0.57 2.57 2.07 -1.28 -0.93 116.25 119.95 1t1j h VAL 18 Ca 0.04 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 1t1j h VAL 18 Cb 1.04 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1t1j h VAL 18 CO 0.10 0.19 0.21 -0.08 0.02 0.00 0.00 177.57 178.01 1t1j h GLU 19 N 0.58 0.86 -0.65 1.57 4.57 -1.20 -0.71 114.58 119.61 1t1j h GLU 19 Ca 0.15 -0.17 -0.05 0.00 -1.18 0.00 0.00 59.36 58.11 1t1j h GLU 19 Cb 0.10 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 1t1j h GLU 19 CO -0.02 0.76 0.20 1.96 -1.18 0.00 0.00 179.01 180.73 1t1j h GLN 20 N 0.79 0.98 -0.57 1.92 4.20 -0.76 -0.84 115.11 120.83 1t1j h GLN 20 Ca 0.19 -0.19 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1t1j h GLN 20 Cb 0.24 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1t1j h GLN 20 CO -0.01 0.84 -0.02 0.00 -0.67 0.00 0.00 178.83 178.97 1t1j h ARG 21 N 0.95 1.01 0.07 1.46 3.08 -0.89 -0.82 114.38 119.25 1t1j h ARG 21 Ca 0.21 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1t1j h ARG 21 Cb 0.27 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1t1j h ARG 21 CO -0.01 1.01 -0.04 0.35 -1.07 0.00 0.00 179.97 180.21 1t1j h PHE 22 N 0.92 -0.11 -0.47 3.04 3.57 -0.51 0.83 116.94 124.22 1t1j h PHE 22 Ca 0.16 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 1t1j h PHE 22 Cb 0.57 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 1t1j h PHE 22 CO 0.04 -0.07 0.05 0.00 -2.23 0.00 0.00 178.31 176.10 1t1j h ARG 23 N -0.11 0.74 -0.51 1.11 2.47 -1.02 -0.11 114.38 116.94 1t1j h ARG 23 Ca -0.01 -0.17 -0.11 0.00 -1.26 0.00 0.00 59.98 58.43 1t1j h ARG 23 Cb 0.09 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.29 1t1j h ARG 23 CO 0.01 0.72 -0.11 0.00 0.56 0.00 0.00 179.97 181.15 1t1j h ALA 24 N 1.35 0.70 -0.52 0.04 0.00 -0.86 -2.40 119.26 117.57 1t1j h ALA 24 Ca 0.15 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1t1j h ALA 24 Cb 0.36 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1t1j h ALA 24 CO 0.01 0.62 -0.04 0.00 0.00 0.00 0.00 179.25 179.84 1t1j h ASN 26 N 0.82 0.85 -0.54 0.00 2.35 -0.86 0.67 115.58 118.85 1t1j h ASN 26 Ca 0.14 0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.84 1t1j h ASN 26 Cb 0.58 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1t1j h ASN 26 CO 0.03 0.54 0.05 -0.33 -1.65 0.00 0.00 177.43 176.08 1t1j h GLU 27 N 0.98 0.92 -0.45 0.81 4.39 -1.22 -0.37 114.58 119.65 1t1j h GLU 27 Ca 0.38 -0.27 -0.14 0.00 0.34 0.00 0.00 59.36 59.67 1t1j h GLU 27 Cb 0.18 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1t1j h GLU 27 CO -0.18 0.91 -0.27 0.28 -1.16 0.00 0.00 179.01 178.59 1t1j h VAL 28 N 0.81 1.27 -0.78 3.13 2.07 -1.01 -2.01 116.25 119.72 1t1j h VAL 28 Ca 0.16 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 1t1j h VAL 28 Cb 0.46 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1t1j h VAL 28 CO 0.02 0.49 0.47 0.00 0.02 0.00 0.00 177.57 178.57 1t1j h ALA 29 N 0.84 1.00 -0.87 1.67 0.00 -0.79 -1.31 119.26 119.79 1t1j h ALA 29 Ca 0.09 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1t1j h ALA 29 Cb 0.86 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1t1j h ALA 29 CO 0.08 0.47 0.56 0.00 0.00 0.00 0.00 179.25 180.36 1t1j h ALA 30 N 1.25 1.16 -0.70 0.00 0.00 -0.87 0.06 119.26 120.16 1t1j h ALA 30 Ca 0.28 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1t1j h ALA 30 Cb -0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1t1j h ALA 30 CO -0.05 0.39 0.17 1.15 0.00 0.00 0.00 179.25 180.90 1t1j h THR 31 N 1.08 1.26 -0.50 0.00 2.02 -0.69 0.14 112.91 116.23 1t1j h THR 31 Ca 0.35 -0.98 -0.09 0.00 0.77 0.00 0.00 66.41 66.47 1t1j h THR 31 Cb 0.03 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1t1j h THR 31 CO -0.13 0.38 -0.04 0.40 0.37 0.00 0.00 175.52 176.50 1t1j h ILE 32 N 1.07 1.27 -0.51 3.11 2.04 -0.58 -2.33 117.51 121.57 1t1j h ILE 32 Ca 0.22 -1.14 -0.07 0.00 1.00 0.00 0.00 64.86 64.86 1t1j h ILE 32 Cb 0.38 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1t1j h ILE 32 CO 0.00 0.40 0.04 0.58 0.00 0.00 0.00 178.15 179.17 1t1j h VAL 33 N 0.77 1.26 -0.44 1.67 2.07 -0.77 -2.55 116.25 118.25 1t1j h VAL 33 Ca 0.14 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 1t1j h VAL 33 Cb 0.57 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1t1j h VAL 33 CO 0.03 0.36 0.26 0.03 0.02 0.00 0.00 177.57 178.28 1t1j h ARG 34 N 0.75 0.59 0.00 1.57 3.08 -0.87 -0.29 114.38 119.21 1t1j h ARG 34 Ca 0.15 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1t1j h ARG 34 Cb 0.47 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1t1j h ARG 34 CO 0.02 0.42 0.00 0.00 -1.07 0.00 0.00 179.97 179.34 1t1j n ALA 35 N -2.47 2.37 -0.87 0.04 0.00 -0.89 -4.88 120.51 113.81 1t1j n ALA 35 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1t1j n ALA 35 Cb 0.08 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1t1j n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t1j n GLY 36 N 0.59 0.69 3.85 0.00 0.00 -0.12 -5.05 105.19 105.14 1t1j n GLY 36 Ca 0.17 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 1t1j n GLY 36 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1t1j s HIS 37 N -2.00 2.95 -0.02 1.61 3.76 -1.10 -4.73 115.29 115.76 1t1j s HIS 37 Ca 0.00 -0.26 -0.22 0.00 -0.15 0.00 0.00 55.06 54.43 1t1j s HIS 37 Cb 0.00 -1.72 -0.05 0.00 1.11 0.00 0.00 32.58 31.92 1t1j s HIS 37 CO 0.00 0.25 0.66 0.08 -0.85 0.00 0.00 174.74 174.88 1t1j s VAL 38 N -2.27 4.92 0.07 -0.90 1.01 0.04 -4.47 120.40 118.81 1t1j s VAL 38 Ca 0.39 1.38 0.04 0.00 0.00 0.00 0.00 61.98 63.79 1t1j s VAL 38 Cb -0.06 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1t1j s VAL 38 CO 0.26 0.35 -0.11 0.54 0.00 0.00 0.00 175.10 176.15 1t1j s VAL 39 N 0.18 0.87 -0.32 2.92 0.11 -1.26 -0.82 120.40 122.07 1t1j s VAL 39 Ca 0.34 -1.33 0.03 0.00 -2.93 0.00 0.00 61.98 58.09 1t1j s VAL 39 Cb -0.18 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.75 1t1j s VAL 39 CO 0.18 -0.38 0.00 0.12 -3.33 0.00 0.00 175.10 171.70 1t1j s PHE 40 N -1.67 3.60 -0.63 1.54 5.99 0.11 -4.94 117.98 121.97 1t1j s PHE 40 Ca -0.02 -2.75 -0.20 0.00 0.00 0.00 0.00 56.93 53.95 1t1j s PHE 40 Cb -0.08 -2.61 0.10 0.00 0.00 0.00 0.00 43.02 40.43 1t1j s PHE 40 CO 0.01 -0.93 0.80 0.45 -0.00 0.00 0.00 175.22 175.56 1t1j s SER 41 N 1.00 6.21 0.18 6.13 0.15 -1.26 -1.00 113.70 125.11 1t1j s SER 41 Ca 0.04 -1.35 -0.13 0.00 0.70 0.00 0.00 55.95 55.20 1t1j s SER 41 Cb -0.19 -2.34 0.15 0.00 -1.71 0.00 0.00 66.02 61.93 1t1j s SER 41 CO -0.07 -1.20 1.74 -0.61 1.20 0.00 0.00 173.24 174.30 1t1j h GLN 42 N 9.26 0.32 -0.11 5.44 -0.00 -1.92 -2.16 115.11 125.93 1t1j h GLN 42 Ca -0.26 -0.02 -0.16 0.00 -0.00 0.00 0.00 58.65 58.21 1t1j h GLN 42 Cb 1.08 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 28.48 1t1j h GLN 42 CO 1.12 0.21 -0.62 0.28 0.00 0.00 0.00 178.83 179.82 1t1j h VAL 43 N 0.32 1.36 -0.74 2.39 2.07 -1.91 -0.30 116.25 119.44 1t1j h VAL 43 Ca 0.23 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.80 1t1j h VAL 43 Cb 0.24 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 1t1j h VAL 43 CO -0.24 0.59 0.47 0.28 0.02 0.00 0.00 177.57 178.69 1t1j h SER 44 N 0.29 0.87 0.37 0.57 0.02 -1.74 -1.39 113.55 112.54 1t1j h SER 44 Ca -0.01 -0.04 -0.32 0.00 -0.84 0.00 0.00 61.79 60.58 1t1j h SER 44 Cb 1.15 -0.22 0.02 0.00 0.14 0.00 0.00 62.40 63.49 1t1j h SER 44 CO 0.10 0.65 -1.51 -0.03 -1.14 0.00 0.00 176.83 174.91 1t1j h MET 45 N 1.01 0.39 0.06 3.45 1.85 -1.31 -3.39 114.93 117.00 1t1j h MET 45 Ca 0.27 -0.67 -0.24 0.00 -0.61 0.00 0.00 59.70 58.45 1t1j h MET 45 Cb -0.08 0.25 -0.01 0.00 0.43 0.00 0.00 31.60 32.19 1t1j h MET 45 CO -0.05 1.30 -1.10 0.66 -0.40 0.00 0.00 176.91 177.31 1t1j h SER 46 N 0.11 0.25 -0.26 1.39 4.64 -0.95 -3.31 113.55 115.41 1t1j h SER 46 Ca -0.25 -0.25 0.03 0.00 -0.47 0.00 0.00 61.79 60.85 1t1j h SER 46 Cb 2.08 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 64.06 1t1j h SER 46 CO 0.22 1.18 0.06 -0.74 -0.87 0.00 0.00 176.83 176.67 1t1j h HIS 47 N 0.05 0.10 -0.12 4.77 2.76 -1.44 0.55 115.15 121.82 1t1j h HIS 47 Ca -0.08 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.07 1t1j h HIS 47 Cb 1.83 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.78 1t1j h HIS 47 CO 0.04 0.03 -0.11 -1.35 -1.30 0.00 0.00 177.93 175.24 1t1j h PRO 48 N 0.16 0.18 -0.08 5.26 0.11 -1.77 -1.63 132.00 134.23 1t1j h PRO 48 Ca 0.12 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 65.99 1t1j h PRO 48 Cb 0.11 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.21 1t1j h PRO 48 CO -0.15 0.30 -0.75 0.82 -0.21 0.00 0.00 178.00 178.01 1t1j h ILE 49 N 0.17 1.32 0.00 4.15 2.04 -1.48 -3.20 117.51 120.51 1t1j h ILE 49 Ca 0.04 -2.02 -0.01 0.00 1.00 0.00 0.00 64.86 63.86 1t1j h ILE 49 Cb 0.31 2.24 -0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1t1j h ILE 49 CO 0.02 0.62 -0.06 0.78 0.00 0.00 0.00 178.15 179.51 1t1j h ASN 50 N 0.29 0.00 0.48 1.72 2.35 0.67 0.18 115.58 121.28 1t1j h ASN 50 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1t1j h ASN 50 Cb 1.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.77 1t1j h ASN 50 CO 0.15 0.06 0.00 -0.07 -1.65 0.00 0.00 177.43 175.92 1t1j h LEU 51 N 0.00 0.00 -1.40 1.61 3.38 -1.31 -0.79 115.31 116.79 1t1j h LEU 51 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1t1j h LEU 51 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1t1j h LEU 51 CO 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 178.44 178.54 1t1j n LEU 53 N 0.71 5.43 0.17 0.00 4.77 -0.30 -4.81 117.00 122.96 1t1j n LEU 53 Ca 0.17 -4.76 0.13 0.00 -0.03 0.00 0.00 56.01 51.52 1t1j n LEU 53 Cb 0.47 -0.49 0.67 0.00 -2.33 0.00 0.00 43.42 41.74 1t1j n LEU 53 CO 0.16 2.02 1.11 0.00 -1.33 0.00 0.00 177.39 179.35 1t1j h ALA 54 N 2.25 2.15 0.00 -1.18 0.00 -1.70 -1.90 119.26 118.88 1t1j h ALA 54 Ca 0.40 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 1t1j h ALA 54 Cb 1.27 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1t1j h ALA 54 CO 0.93 -0.24 -0.00 1.05 0.00 0.00 0.00 179.25 180.99 1t1j h GLU 55 N 0.00 0.00 -6.21 0.00 9.09 -1.93 -3.43 114.58 112.10 1t1j h GLU 55 Ca 0.09 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.97 1t1j h GLU 55 Cb 0.37 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.46 1t1j h GLU 55 CO -0.00 0.00 -0.35 -0.51 0.05 0.00 0.00 179.01 178.20 1t1j s LEU 56 N -6.20 4.24 0.25 3.06 1.43 -0.71 -5.10 118.68 115.64 1t1j s LEU 56 Ca -0.02 0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.45 1t1j s LEU 56 Cb 0.11 -3.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.17 1t1j s LEU 56 CO 0.48 -0.04 0.41 1.51 0.23 0.00 0.00 176.35 178.94 1t1j s ASP 57 N -3.25 6.33 0.18 2.29 1.47 -1.26 -4.89 116.67 117.54 1t1j s ASP 57 Ca 0.38 0.28 -0.06 0.00 1.18 0.00 0.00 52.55 54.33 1t1j s ASP 57 Cb -0.11 -1.96 0.27 0.00 -0.34 0.00 0.00 42.92 40.79 1t1j s ASP 57 CO 0.29 -0.11 1.02 -1.14 0.68 0.00 0.00 175.17 175.91 1t1j n ARG 58 N -1.21 -0.08 -0.15 2.11 0.63 -1.26 0.34 116.66 117.04 1t1j n ARG 58 Ca -0.06 1.02 -0.09 0.00 -0.92 0.00 0.00 57.85 57.79 1t1j n ARG 58 Cb 0.56 -1.52 -0.00 0.00 0.45 0.00 0.00 32.46 31.95 1t1j n ARG 58 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1t1j h ALA 59 N 1.23 0.57 -0.62 5.13 0.00 -2.00 -2.02 119.26 121.55 1t1j h ALA 59 Ca 0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1t1j h ALA 59 Cb 0.46 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1t1j h ALA 59 CO -0.67 0.20 0.35 0.00 0.00 0.00 0.00 179.25 179.13 1t1j h ALA 60 N 1.00 0.79 0.04 0.00 0.00 -0.49 -2.70 119.26 117.89 1t1j h ALA 60 Ca 0.14 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1t1j h ALA 60 Cb 0.24 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1t1j h ALA 60 CO -0.01 0.30 -0.10 0.82 0.00 0.00 0.00 179.25 180.26 1t1j h ILE 61 N 0.84 0.75 -1.00 0.00 1.08 -1.10 -1.85 117.51 116.22 1t1j h ILE 61 Ca 0.22 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.93 1t1j h ILE 61 Cb 0.02 0.75 -0.12 0.00 -3.07 0.00 0.00 36.82 34.40 1t1j h ILE 61 CO -0.04 0.00 0.59 1.23 -0.69 0.00 0.00 178.15 179.24 1t1j h GLY 62 N -0.20 1.89 1.44 5.37 0.00 -1.13 -0.04 103.07 110.40 1t1j h GLY 62 Ca 0.03 -0.31 -0.19 0.00 0.00 0.00 0.00 47.33 46.86 1t1j h GLY 62 CO -0.07 -0.23 -0.69 -0.09 0.00 0.00 0.00 176.54 175.45 1t1j h ARG 63 N 0.59 0.56 -0.83 4.80 2.43 -1.10 -2.40 114.38 118.44 1t1j h ARG 63 Ca 0.64 -0.43 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1t1j h ARG 63 Cb 1.19 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.78 1t1j h ARG 63 CO -0.47 1.05 0.47 -0.07 -1.51 0.00 0.00 179.97 179.44 1t1j h LEU 64 N 0.40 1.01 -0.77 3.80 3.38 -0.25 -2.74 115.31 120.14 1t1j h LEU 64 Ca -0.03 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1t1j h LEU 64 Cb 1.28 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1t1j h LEU 64 CO 0.13 0.80 -0.11 -0.50 0.09 0.00 0.00 178.44 178.85 1t1j h TRP 65 N 1.14 0.00 -0.33 1.13 4.06 -1.23 -3.37 115.95 117.35 1t1j h TRP 65 Ca 0.29 0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.31 1t1j h TRP 65 Cb -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 28.08 1t1j h TRP 65 CO 0.00 0.11 -0.41 0.00 -3.56 0.00 0.00 178.44 174.58 1t1j h ALA 66 N 1.89 -0.44 0.00 1.49 0.00 -1.11 0.63 119.26 121.72 1t1j h ALA 66 Ca -0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1t1j h ALA 66 Cb 0.81 0.84 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 1t1j h ALA 66 CO 0.01 -0.86 -0.08 -1.00 0.00 0.00 0.00 179.25 177.32 1t1j h PRO 67 N -0.36 0.00 -0.01 0.00 0.13 -1.76 -1.43 132.00 128.57 1t1j h PRO 67 Ca 0.12 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.14 1t1j h PRO 67 Cb 0.59 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.73 1t1j h PRO 67 CO -0.52 0.08 -0.44 0.28 -0.23 0.00 0.00 178.00 177.17 1t1j h VAL 68 N 0.00 1.47 -0.50 1.56 2.07 -1.24 -2.94 116.25 116.67 1t1j h VAL 68 Ca -0.00 -2.00 -0.01 0.00 0.82 0.00 0.00 66.70 65.52 1t1j h VAL 68 Cb 0.56 2.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 1t1j h VAL 68 CO 0.01 0.57 0.29 0.44 0.02 0.00 0.00 177.57 178.90 1t1j h ASP 69 N -0.26 0.60 -0.38 0.57 3.32 0.39 -2.29 116.42 118.37 1t1j h ASP 69 Ca -0.05 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1t1j h ASP 69 Cb 1.16 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 1t1j h ASP 69 CO 0.09 0.47 0.20 0.00 -1.72 0.00 0.00 179.24 178.28 1t1j h ALA 70 N 1.63 1.59 -0.82 3.45 0.00 -1.22 0.01 119.26 123.90 1t1j h ALA 70 Ca 0.18 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1t1j h ALA 70 Cb -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1t1j h ALA 70 CO -0.03 0.34 0.50 0.35 0.00 0.00 0.00 179.25 180.41 1t1j h PHE 71 N 0.57 1.08 -0.07 0.00 3.57 -1.23 -0.31 116.94 120.55 1t1j h PHE 71 Ca 0.15 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.44 1t1j h PHE 71 Cb 0.05 -0.35 0.01 0.00 2.79 0.00 0.00 35.95 38.45 1t1j h PHE 71 CO 0.00 0.71 -0.76 1.88 -2.23 0.00 0.00 178.31 177.92 1t1j h TYR 72 N 1.13 0.90 -0.75 0.41 0.05 -1.32 -2.79 116.97 114.60 1t1j h TYR 72 Ca 0.30 -0.44 0.11 0.00 0.05 0.00 0.00 58.73 58.75 1t1j h TYR 72 Cb -0.06 -0.12 -0.08 0.00 1.01 0.00 0.00 36.73 37.48 1t1j h TYR 72 CO -0.01 1.26 0.36 0.52 -1.05 0.00 0.00 178.16 179.24 1t1j h MET 73 N 0.29 0.56 -0.31 4.88 2.86 -0.78 -2.06 114.93 120.37 1t1j h MET 73 Ca -0.07 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 1t1j h MET 73 Cb 1.41 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.93 1t1j h MET 73 CO 0.15 0.37 0.03 0.22 1.06 0.00 0.00 176.91 178.74 1t1j h ASP 74 N 0.58 0.43 -0.00 1.22 3.58 -0.92 -3.17 116.42 118.14 1t1j h ASP 74 Ca 0.38 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.77 1t1j h ASP 74 Cb 0.47 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1t1j h ASP 74 CO -0.31 0.48 -0.64 1.41 -2.88 0.00 0.00 179.24 177.29 1t1j n HIS 75 N -4.32 0.00 -3.28 0.28 8.25 -0.93 -4.97 115.22 110.25 1t1j n HIS 75 Ca 0.01 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.27 1t1j n HIS 75 Cb 0.21 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 1t1j n HIS 75 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1t1j s LEU 76 N -2.65 3.84 -0.05 2.41 1.43 -0.82 -5.06 118.68 117.78 1t1j s LEU 76 Ca 0.15 -0.06 0.18 0.00 -1.03 0.00 0.00 54.13 53.37 1t1j s LEU 76 Cb 0.17 -2.86 -0.27 0.00 0.03 0.00 0.00 46.19 43.26 1t1j s LEU 76 CO 0.67 -0.55 0.35 -0.62 0.23 0.00 0.00 176.35 176.43 1t1j n GLU 77 N -1.80 0.65 -3.80 1.70 -0.58 0.16 -4.98 120.64 112.00 1t1j n GLU 77 Ca 0.01 -0.14 -0.10 0.00 -0.42 0.00 0.00 57.16 56.51 1t1j n GLU 77 Cb 0.58 -1.43 -0.06 0.00 -0.57 0.00 0.00 31.44 29.96 1t1j n GLU 77 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1t1j s GLU 78 N -3.14 1.12 -0.09 3.49 -1.05 -0.90 -4.18 118.70 113.96 1t1j s GLU 78 Ca -0.07 -0.93 0.04 0.00 -0.15 0.00 0.00 54.97 53.86 1t1j s GLU 78 Cb 0.11 0.43 -0.01 0.00 -0.44 0.00 0.00 34.13 34.22 1t1j s GLU 78 CO 0.75 -0.43 -0.24 -1.17 0.95 0.00 0.00 175.26 175.12 1t1j s LEU 79 N -2.88 2.13 -0.15 1.83 2.96 -0.04 -0.99 118.68 121.54 1t1j s LEU 79 Ca 0.09 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1t1j s LEU 79 Cb 0.02 -1.41 0.01 0.00 0.50 0.00 0.00 46.19 45.31 1t1j s LEU 79 CO -0.06 0.19 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.33 1t1j s ILE 80 N 0.14 2.18 -0.26 6.68 1.01 -0.25 -0.80 121.20 129.90 1t1j s ILE 80 Ca -0.13 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 59.48 1t1j s ILE 80 Cb -0.16 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 1t1j s ILE 80 CO 0.07 0.54 0.21 -0.69 0.00 0.00 0.00 174.94 175.07 1t1j s VAL 81 N 0.87 5.31 -0.70 2.92 1.01 0.73 -0.94 120.40 129.60 1t1j s VAL 81 Ca -0.05 0.25 -0.27 0.00 0.00 0.00 0.00 61.98 61.90 1t1j s VAL 81 Cb -0.15 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.71 1t1j s VAL 81 CO -0.03 0.27 1.26 -0.22 0.00 0.00 0.00 175.10 176.38 1t1j s LEU 82 N 1.54 3.24 -1.53 3.92 2.96 0.51 -0.23 118.68 129.10 1t1j s LEU 82 Ca 0.09 -0.31 -0.11 0.00 -0.22 0.00 0.00 54.13 53.57 1t1j s LEU 82 Cb -0.15 -2.72 -0.05 0.00 0.50 0.00 0.00 46.19 43.78 1t1j s LEU 82 CO 0.09 -1.74 2.67 -0.90 -1.32 0.00 0.00 176.35 175.14 1t1j n ASP 83 N 9.12 6.86 -4.88 3.68 5.75 -1.26 -4.29 116.55 131.53 1t1j n ASP 83 Ca 0.04 -2.66 -0.30 0.00 -0.01 0.00 0.00 54.79 51.87 1t1j n ASP 83 Cb 0.49 -1.57 0.06 0.00 -1.03 0.00 0.00 41.12 39.07 1t1j n ASP 83 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1t1j s LEU 84 N 0.88 2.75 0.13 -2.12 1.43 -1.26 -4.91 118.68 115.57 1t1j s LEU 84 Ca 0.61 1.06 -0.35 0.00 -1.03 0.00 0.00 54.13 54.42 1t1j s LEU 84 Cb 0.16 -3.75 -0.15 0.00 0.03 0.00 0.00 46.19 42.49 1t1j s LEU 84 CO -0.07 -1.57 1.52 -2.65 0.23 0.00 0.00 176.35 173.82 1t1j n PRO 85 N -3.14 1.84 0.00 1.29 -0.02 -1.26 -1.80 135.00 131.91 1t1j n PRO 85 Ca 0.07 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1t1j n PRO 85 Cb 0.58 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1t1j n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t1j n GLY 86 N 3.18 0.28 0.27 -1.23 0.00 -1.26 -4.97 105.19 101.46 1t1j n GLY 86 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.26 1t1j n GLY 86 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1t1j h TRP 87 N 0.00 0.14 0.00 1.61 5.08 -1.71 -1.59 115.95 119.48 1t1j h TRP 87 Ca 0.00 -0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1t1j h TRP 87 Cb 0.00 -0.05 0.00 0.00 -3.00 0.00 0.00 29.16 26.11 1t1j h TRP 87 CO 0.00 0.13 0.00 0.00 -1.28 0.00 0.00 178.44 177.29 1t1j h ARG 88 N 0.15 0.00 -0.44 0.12 3.08 -1.93 -3.09 114.38 112.27 1t1j h ARG 88 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1t1j h ARG 88 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1t1j h ARG 88 CO -0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.65 1t1j n ASP 89 N -2.33 3.24 -4.74 7.04 8.00 -0.61 -4.97 116.55 122.17 1t1j n ASP 89 Ca 0.03 -1.95 -0.40 0.00 0.71 0.00 0.00 54.79 53.19 1t1j n ASP 89 Cb 0.32 -0.29 -0.05 0.00 -0.02 0.00 0.00 41.12 41.08 1t1j n ASP 89 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1t1j s SER 90 N -1.07 7.15 0.00 -2.24 0.15 -1.14 -4.97 113.70 111.57 1t1j s SER 90 Ca 0.33 1.37 -0.25 0.00 0.70 0.00 0.00 55.95 58.10 1t1j s SER 90 Cb 0.18 -2.45 -0.19 0.00 -1.71 0.00 0.00 66.02 61.85 1t1j s SER 90 CO 0.24 -0.02 1.35 0.00 1.20 0.00 0.00 173.24 176.01 1t1j h ALA 91 N 5.97 -0.03 -0.40 5.45 0.00 -1.94 -2.51 119.26 125.81 1t1j h ALA 91 Ca -0.43 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.35 1t1j h ALA 91 Cb 1.20 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 1t1j h ALA 91 CO 0.72 -0.33 0.09 0.78 0.00 0.00 0.00 179.25 180.51 1t1j h GLY 92 N -0.42 0.47 0.99 0.00 0.00 -1.94 -2.91 103.07 99.27 1t1j h GLY 92 Ca -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 1t1j h GLY 92 CO 0.01 -0.03 0.29 -2.22 0.00 0.00 0.00 176.54 174.59 1t1j h ILE 93 N 0.22 1.14 -0.54 2.60 2.04 -1.87 -1.51 117.51 119.59 1t1j h ILE 93 Ca 0.19 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.78 1t1j h ILE 93 Cb 0.22 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1t1j h ILE 93 CO -0.24 0.14 0.34 0.03 0.00 0.00 0.00 178.15 178.42 1t1j h ARG 94 N 0.62 0.67 -0.01 2.37 2.47 -1.33 -0.58 114.38 118.59 1t1j h ARG 94 Ca 0.17 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 1t1j h ARG 94 Cb -0.03 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.14 1t1j h ARG 94 CO -0.03 0.44 -0.01 -0.09 0.56 0.00 0.00 179.97 180.84 1t1j h ARG 95 N 0.69 -0.02 -0.55 0.04 2.43 -1.32 -1.41 114.38 114.24 1t1j h ARG 95 Ca 0.21 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1t1j h ARG 95 Cb -0.03 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1t1j h ARG 95 CO -0.07 -0.01 0.24 0.93 -1.51 0.00 0.00 179.97 179.54 1t1j h GLU 96 N -0.02 0.81 -0.72 0.20 5.08 -0.99 0.25 114.58 119.18 1t1j h GLU 96 Ca 0.01 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1t1j h GLU 96 Cb 0.03 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1t1j h GLU 96 CO -0.02 0.69 0.38 0.52 -1.00 0.00 0.00 179.01 179.59 1t1j h MET 97 N 0.75 1.02 -0.30 2.33 2.86 -0.99 -1.26 114.93 119.33 1t1j h MET 97 Ca 0.19 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1t1j h MET 97 Cb 0.17 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1t1j h MET 97 CO -0.02 0.77 0.04 0.93 1.06 0.00 0.00 176.91 179.69 1t1j h GLU 98 N 1.00 0.51 -0.00 1.72 4.39 -0.91 -0.02 114.58 121.27 1t1j h GLU 98 Ca 0.25 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1t1j h GLU 98 Cb 0.06 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1t1j h GLU 98 CO -0.04 0.62 -0.02 0.35 -1.16 0.00 0.00 179.01 178.76 1t1j h PHE 99 N 0.32 -0.06 -0.24 4.33 3.57 -0.70 0.21 116.94 124.37 1t1j h PHE 99 Ca 0.09 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 1t1j h PHE 99 Cb 0.37 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1t1j h PHE 99 CO 0.03 -0.04 -0.16 0.74 -2.23 0.00 0.00 178.31 176.65 1t1j h PHE 100 N -0.04 0.63 0.17 0.41 0.04 -1.22 -2.73 116.94 114.19 1t1j h PHE 100 Ca 0.01 -0.17 0.01 0.00 2.80 0.00 0.00 57.97 60.62 1t1j h PHE 100 Cb 0.06 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 1t1j h PHE 100 CO -0.10 0.83 -0.22 1.49 -0.60 0.00 0.00 178.31 179.70 1t1j h GLU 101 N 0.25 -0.43 -0.08 1.51 4.57 -0.92 -1.01 114.58 118.47 1t1j h GLU 101 Ca 0.05 0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1t1j h GLU 101 Cb 0.68 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.37 1t1j h GLU 101 CO 0.04 -0.29 0.06 0.00 -1.18 0.00 0.00 179.01 177.64 1t1j h ALA 102 N 0.30 2.02 -0.02 2.92 0.00 -0.98 -0.93 119.26 122.57 1t1j h ALA 102 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1t1j h ALA 102 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1t1j h ALA 102 CO -0.09 -0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.54 1t1j n GLY 103 N -1.54 -0.73 2.00 0.00 0.00 -0.96 -4.89 105.19 99.08 1t1j n GLY 103 Ca -0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 46.02 45.76 1t1j n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t1j n GLY 104 N 0.99 0.42 3.93 -0.02 0.00 -0.35 -5.04 105.19 105.11 1t1j n GLY 104 Ca 0.20 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 45.13 1t1j n GLY 104 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1t1j s GLN 105 N -1.52 3.53 0.28 1.61 -0.21 -0.42 -5.03 119.66 117.88 1t1j s GLN 105 Ca 0.00 -0.31 -0.29 0.00 0.02 0.00 0.00 55.36 54.77 1t1j s GLN 105 Cb 0.00 -2.78 -0.10 0.00 1.00 0.00 0.00 33.01 31.13 1t1j s GLN 105 CO 0.00 0.33 1.32 0.50 -2.12 0.00 0.00 175.29 175.32 1t1j s ARG 106 N -3.57 4.37 -0.08 2.91 3.52 -1.26 -4.23 118.95 120.60 1t1j s ARG 106 Ca 0.39 2.16 0.01 0.00 -0.13 0.00 0.00 55.73 58.17 1t1j s ARG 106 Cb -0.11 -3.12 0.02 0.00 -1.56 0.00 0.00 34.95 30.19 1t1j s ARG 106 CO 0.30 -0.22 -0.09 0.08 -0.81 0.00 0.00 175.30 174.57 1t1j s VAL 107 N -0.61 0.94 0.10 7.11 1.01 -1.26 -0.86 120.40 126.83 1t1j s VAL 107 Ca 0.53 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.21 1t1j s VAL 107 Cb -0.39 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1t1j s VAL 107 CO 0.46 0.33 -0.07 -0.44 0.00 0.00 0.00 175.10 175.38 1t1j s SER 108 N 1.09 1.19 -0.07 3.32 0.01 0.02 -4.99 113.70 114.27 1t1j s SER 108 Ca -0.07 -1.00 -0.06 0.00 1.31 0.00 0.00 55.95 56.13 1t1j s SER 108 Cb -0.14 0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 1t1j s SER 108 CO -0.01 -0.45 0.18 -0.76 0.41 0.00 0.00 173.24 172.61 1t1j s LEU 109 N -3.03 4.39 0.29 2.44 1.43 -1.26 -0.19 118.68 122.74 1t1j s LEU 109 Ca 0.12 0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 53.68 1t1j s LEU 109 Cb 0.05 -2.30 0.44 0.00 0.03 0.00 0.00 46.19 44.40 1t1j s LEU 109 CO -0.04 0.35 1.92 -0.25 0.23 0.00 0.00 176.35 178.56 1t1j h TRP 110 N 4.56 1.11 -0.42 0.29 2.91 -0.96 -0.32 115.95 123.12 1t1j h TRP 110 Ca -0.53 0.03 0.08 0.00 1.13 0.00 0.00 58.89 59.60 1t1j h TRP 110 Cb 1.21 -0.37 -0.02 0.00 -0.51 0.00 0.00 29.16 29.47 1t1j h TRP 110 CO 0.73 0.63 0.29 0.66 -1.03 0.00 0.00 178.44 179.72 1t1j h SER 111 N 1.14 0.18 1.11 2.65 4.64 -1.93 0.91 113.55 122.25 1t1j h SER 111 Ca 0.37 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.62 1t1j h SER 111 Cb 0.05 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1t1j h SER 111 CO -0.12 0.11 -0.93 -0.33 -0.87 0.00 0.00 176.83 174.70 1t1j h GLU 112 N 0.21 0.00 0.00 4.77 5.08 -1.47 -3.39 114.58 119.77 1t1j h GLU 112 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1t1j h GLU 112 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1t1j h GLU 112 CO -0.03 0.18 0.00 1.33 -1.00 0.00 0.00 179.01 179.49 1t1j n VAL 113 N -2.90 0.35 -0.34 3.13 0.24 -0.86 -4.73 118.33 113.21 1t1j n VAL 113 Ca -0.02 -0.67 0.20 0.00 -2.04 0.00 0.00 64.34 61.81 1t1j n VAL 113 Cb 0.68 0.83 0.45 0.00 -1.47 0.00 0.00 33.84 34.33 1t1j n VAL 113 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1t1j h GLU 114 N 0.00 0.47 0.00 7.34 4.81 -1.05 0.16 114.58 126.32 1t1j h GLU 114 Ca 0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1t1j h GLU 114 Cb 0.18 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1t1j h GLU 114 CO 0.00 0.31 -0.00 1.12 -0.73 0.00 0.00 179.01 179.71 1t1j h HIS 115 N 0.49 0.00 0.00 0.92 2.07 -1.85 -1.65 115.15 115.13 1t1j h HIS 115 Ca 0.62 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.14 1t1j h HIS 115 Cb 1.38 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.36 1t1j h HIS 115 CO -0.00 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 175.25 1t1j n GLU 116 N -3.11 0.11 -0.09 5.12 1.02 0.57 -3.00 120.64 121.26 1t1j n GLU 116 Ca -0.02 0.11 0.05 0.00 -0.02 0.00 0.00 57.16 57.28 1t1j n GLU 116 Cb 0.15 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.16 1t1j n GLU 116 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1t1j n PHE 117 N -1.43 0.14 0.00 -0.32 3.72 -0.62 -5.15 117.46 113.80 1t1j n PHE 117 Ca 0.07 -0.72 0.00 0.00 -0.05 0.00 0.00 57.45 56.75 1t1j n PHE 117 Cb 0.23 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 1t1j n PHE 117 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25