#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tid s ASN 3 N 0.00 -0.20 0.24 2.89 2.47 -0.80 -5.01 114.94 114.54 1tid s ASN 3 Ca 0.00 0.31 0.05 0.00 0.42 0.00 0.00 52.86 53.64 1tid s ASN 3 Cb 0.00 0.42 -0.02 0.00 -1.45 0.00 0.00 41.25 40.20 1tid s ASN 3 CO 0.00 -0.18 0.21 -1.84 -3.72 0.00 0.00 177.10 171.57 1tid n GLU 4 N 2.46 0.31 -3.65 0.43 0.28 -1.26 -0.76 120.64 118.45 1tid n GLU 4 Ca -0.16 -2.35 -0.04 0.00 -0.16 0.00 0.00 57.16 54.45 1tid n GLU 4 Cb 0.57 1.96 -0.07 0.00 1.43 0.00 0.00 31.44 35.33 1tid n GLU 4 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1tid s HIS 6 N -3.01 -0.12 -0.02 -1.84 3.76 -1.26 -5.00 115.29 107.80 1tid s HIS 6 Ca 0.28 0.30 -0.00 0.00 -0.15 0.00 0.00 55.06 55.48 1tid s HIS 6 Cb 0.01 0.46 0.03 0.00 1.11 0.00 0.00 32.58 34.18 1tid s HIS 6 CO 0.20 -0.06 0.03 -1.17 -0.85 0.00 0.00 174.74 172.89 1tid s LEU 7 N 0.08 1.21 0.13 0.89 2.96 0.30 -4.98 118.68 119.26 1tid s LEU 7 Ca 0.06 0.04 0.08 0.00 -0.22 0.00 0.00 54.13 54.09 1tid s LEU 7 Cb -0.05 -0.04 -0.04 0.00 0.50 0.00 0.00 46.19 46.56 1tid s LEU 7 CO -0.14 -0.11 -0.18 -1.10 -1.32 0.00 0.00 176.35 173.50 1tid s GLN 8 N 0.91 1.13 -0.04 1.98 1.11 -1.26 0.11 119.66 123.59 1tid s GLN 8 Ca -0.08 -1.24 -0.29 0.00 0.01 0.00 0.00 55.36 53.76 1tid s GLN 8 Cb -0.11 -1.21 0.11 0.00 -1.01 0.00 0.00 33.01 30.79 1tid s GLN 8 CO -0.03 0.26 0.91 -0.59 0.01 0.00 0.00 175.29 175.85 1tid s PHE 9 N -1.69 -0.36 0.33 0.91 -0.12 -1.06 -4.97 117.98 111.02 1tid s PHE 9 Ca 0.09 0.33 -0.29 0.00 -0.05 0.00 0.00 56.93 57.02 1tid s PHE 9 Cb -0.07 0.51 -0.11 0.00 -0.63 0.00 0.00 43.02 42.72 1tid s PHE 9 CO 0.05 -0.50 1.41 -1.54 -0.05 0.00 0.00 175.22 174.59 1tid s SER 10 N -2.14 6.58 -0.62 1.98 1.04 -1.26 -2.03 113.70 117.25 1tid s SER 10 Ca 0.03 2.83 -0.16 0.00 0.48 0.00 0.00 55.95 59.13 1tid s SER 10 Cb -0.01 -2.65 -0.14 0.00 0.10 0.00 0.00 66.02 63.32 1tid s SER 10 CO -0.06 -0.70 1.83 0.00 0.98 0.00 0.00 173.24 175.29 1tid n ALA 11 N 1.01 3.15 -2.44 5.32 0.00 0.29 -4.84 120.51 122.99 1tid n ALA 11 Ca 0.02 -2.44 -0.31 0.00 0.00 0.00 0.00 53.44 50.71 1tid n ALA 11 Cb 0.40 -3.32 -0.13 0.00 0.00 0.00 0.00 19.45 16.40 1tid n ALA 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1tid s ARG 12 N 4.77 2.07 0.33 0.00 0.52 -1.26 -3.53 118.95 121.85 1tid s ARG 12 Ca 0.47 -0.98 0.26 0.00 -0.52 0.00 0.00 55.73 54.96 1tid s ARG 12 Cb 0.12 -2.17 1.09 0.00 0.52 0.00 0.00 34.95 34.50 1tid s ARG 12 CO 0.09 0.54 1.78 0.66 0.02 0.00 0.00 175.30 178.39 1tid h SER 13 N 4.63 0.00 0.94 0.23 4.64 -1.92 -2.47 113.55 119.59 1tid h SER 13 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1tid h SER 13 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1tid h SER 13 CO 0.47 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.81 1tid n GLU 14 N -2.44 0.02 0.05 4.77 4.71 -1.26 -3.09 120.64 123.41 1tid n GLU 14 Ca 0.02 0.06 0.11 0.00 -0.01 0.00 0.00 57.16 57.34 1tid n GLU 14 Cb 0.24 -1.52 -0.05 0.00 -1.01 0.00 0.00 31.44 29.09 1tid n GLU 14 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1tid n ASN 15 N -1.55 0.53 0.01 1.62 3.02 -0.93 -4.49 115.26 113.46 1tid n ASN 15 Ca 0.06 0.13 -0.10 0.00 -0.03 0.00 0.00 54.58 54.64 1tid n ASN 15 Cb 0.31 1.02 -0.03 0.00 -0.61 0.00 0.00 39.78 40.47 1tid n ASN 15 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1tid h GLU 16 N 0.00 -0.32 0.03 3.52 5.08 -1.64 0.89 114.58 122.14 1tid h GLU 16 Ca 0.00 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1tid h GLU 16 Cb 0.95 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.23 1tid h GLU 16 CO 0.00 -0.21 -0.33 1.03 -1.00 0.00 0.00 179.01 178.50 1tid h SER 17 N -0.33 -0.98 -0.76 1.42 0.87 -1.79 -2.09 113.55 109.90 1tid h SER 17 Ca 0.10 0.12 0.15 0.00 -1.23 0.00 0.00 61.79 60.93 1tid h SER 17 Cb 0.48 0.39 -0.14 0.00 -0.44 0.00 0.00 62.40 62.68 1tid h SER 17 CO -0.31 -0.40 -0.19 0.15 -0.53 0.00 0.00 176.83 175.56 1tid h PHE 18 N -0.50 -0.41 -0.02 2.24 3.57 -1.58 -1.81 116.94 118.43 1tid h PHE 18 Ca 0.05 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 1tid h PHE 18 Cb 0.57 0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 1tid h PHE 18 CO -0.34 -0.33 0.01 0.00 -2.23 0.00 0.00 178.31 175.43 1tid h ALA 19 N 1.75 0.02 -0.16 2.41 0.00 -0.20 -0.51 119.26 122.57 1tid h ALA 19 Ca 0.36 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 1tid h ALA 19 Cb 0.55 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1tid h ALA 19 CO -0.78 -0.46 -0.32 0.07 0.00 0.00 0.00 179.25 177.76 1tid h ARG 20 N -0.01 0.32 -0.46 0.00 0.11 -1.05 -0.72 114.38 112.58 1tid h ARG 20 Ca 0.01 -0.13 -0.10 0.00 0.10 0.00 0.00 59.98 59.86 1tid h ARG 20 Cb 0.04 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.09 1tid h ARG 20 CO -0.00 0.62 -0.10 0.28 0.10 0.00 0.00 179.97 180.86 1tid h VAL 21 N 0.28 1.27 -0.22 0.08 2.07 -1.22 0.53 116.25 119.05 1tid h VAL 21 Ca 0.04 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 1tid h VAL 21 Cb 0.71 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1tid h VAL 21 CO 0.05 0.42 0.12 0.74 0.02 0.00 0.00 177.57 178.93 1tid h THR 22 N 0.72 1.11 -0.03 2.57 2.02 -0.69 0.16 112.91 118.77 1tid h THR 22 Ca 0.12 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1tid h THR 22 Cb 0.65 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1tid h THR 22 CO 0.04 0.10 0.02 0.58 0.37 0.00 0.00 175.52 176.64 1tid h VAL 23 N 0.25 1.06 -0.73 3.16 2.07 -1.01 -2.08 116.25 118.98 1tid h VAL 23 Ca 0.08 -0.18 0.12 0.00 0.82 0.00 0.00 66.70 67.54 1tid h VAL 23 Cb 0.06 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1tid h VAL 23 CO -0.01 0.05 0.48 0.00 0.02 0.00 0.00 177.57 178.11 1tid h ALA 24 N 0.94 1.97 -0.03 1.67 0.00 -0.67 -0.51 119.26 122.63 1tid h ALA 24 Ca 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1tid h ALA 24 Cb 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1tid h ALA 24 CO -0.00 -0.15 0.01 0.00 0.00 0.00 0.00 179.25 179.11 1tid h ALA 25 N 1.64 0.05 -0.24 0.00 0.00 -0.32 -1.25 119.26 119.15 1tid h ALA 25 Ca 0.35 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1tid h ALA 25 Cb 0.64 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1tid h ALA 25 CO -0.12 -0.35 0.14 0.35 0.00 0.00 0.00 179.25 179.27 1tid h PHE 26 N -0.15 0.32 0.00 0.00 3.57 -0.71 -2.52 116.94 117.45 1tid h PHE 26 Ca 0.01 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1tid h PHE 26 Cb 0.21 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 1tid h PHE 26 CO -0.00 0.26 -0.07 0.28 -2.23 0.00 0.00 178.31 176.55 1tid h VAL 27 N 0.28 1.01 -0.21 1.41 2.07 -1.05 -2.58 116.25 117.18 1tid h VAL 27 Ca 0.08 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.44 1tid h VAL 27 Cb 0.04 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1tid h VAL 27 CO -0.01 0.06 0.53 0.00 0.02 0.00 0.00 177.57 178.17 1tid h ALA 28 N 1.93 1.79 0.00 1.67 0.00 -0.75 -0.53 119.26 123.37 1tid h ALA 28 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1tid h ALA 28 Cb 0.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1tid h ALA 28 CO 0.01 -0.63 0.00 -0.56 0.00 0.00 0.00 179.25 178.06 1tid h GLN 29 N 0.00 0.00 -0.68 0.00 3.07 -1.61 -0.14 115.11 115.75 1tid h GLN 29 Ca 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.80 1tid h GLN 29 Cb 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.69 1tid h GLN 29 CO -0.00 0.00 0.04 1.28 0.09 0.00 0.00 178.83 180.24 1tid n LEU 30 N -2.63 5.00 -4.10 0.06 4.77 -0.21 -4.95 117.00 114.95 1tid n LEU 30 Ca -0.02 -2.55 -0.38 0.00 -0.03 0.00 0.00 56.01 53.03 1tid n LEU 30 Cb 0.08 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 40.48 1tid n LEU 30 CO 0.15 0.59 -0.26 0.47 -1.33 0.00 0.00 177.39 177.01 1tid n ASP 31 N 0.41 -1.99 -3.58 -1.43 8.00 -0.06 -4.93 116.55 112.96 1tid n ASP 31 Ca 0.25 -1.19 -0.27 0.00 0.71 0.00 0.00 54.79 54.29 1tid n ASP 31 Cb 1.07 -1.45 0.21 0.00 -0.02 0.00 0.00 41.12 40.93 1tid n ASP 31 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1tid n PRO 32 N -4.58 -2.09 0.00 -0.24 -0.04 -1.26 -5.13 135.00 121.67 1tid n PRO 32 Ca -0.18 -1.71 0.00 0.00 -0.04 0.00 0.00 63.50 61.57 1tid n PRO 32 Cb 0.56 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1tid n PRO 32 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1tid n THR 33 N -4.16 0.00 0.00 0.52 -2.24 -1.26 -4.92 114.28 102.22 1tid n THR 33 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1tid n THR 33 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1tid n THR 33 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1tid n ASP 35 N 0.00 0.00 -0.29 3.42 8.00 -1.26 -0.90 116.55 125.52 1tid n ASP 35 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 1tid n ASP 35 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.20 1tid n ASP 35 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1tid h GLU 36 N 0.00 0.98 -0.34 -1.24 5.08 -2.00 -0.91 114.58 116.16 1tid h GLU 36 Ca 0.00 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1tid h GLU 36 Cb 0.00 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1tid h GLU 36 CO 0.00 0.65 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.53 1tid h LEU 37 N 1.01 0.64 -1.19 1.33 3.38 -1.38 -2.68 115.31 116.44 1tid h LEU 37 Ca 0.32 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1tid h LEU 37 Cb -0.01 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1tid h LEU 37 CO -0.11 0.84 0.56 0.74 0.09 0.00 0.00 178.44 180.57 1tid h THR 38 N 0.43 1.13 -0.34 0.22 2.02 -1.67 -0.42 112.91 114.27 1tid h THR 38 Ca 0.09 -0.36 -0.14 0.00 0.77 0.00 0.00 66.41 66.77 1tid h THR 38 Cb 0.55 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1tid h THR 38 CO 0.03 0.19 -0.34 -0.33 0.37 0.00 0.00 175.52 175.44 1tid h GLU 39 N 1.05 0.77 -0.22 6.66 5.08 -1.05 -0.72 114.58 126.15 1tid h GLU 39 Ca 0.34 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1tid h GLU 39 Cb 0.05 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1tid h GLU 39 CO -0.10 1.00 -0.12 0.82 -1.00 0.00 0.00 179.01 179.61 1tid h ILE 40 N 0.65 1.31 -0.45 3.13 2.04 -1.08 0.44 117.51 123.54 1tid h ILE 40 Ca 0.07 -1.19 -0.04 0.00 1.00 0.00 0.00 64.86 64.69 1tid h ILE 40 Cb 0.88 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 1tid h ILE 40 CO 0.08 0.37 0.11 0.11 0.00 0.00 0.00 178.15 178.82 1tid h LYS 41 N 0.17 0.68 -0.34 2.37 1.57 -1.01 0.29 116.57 120.30 1tid h LYS 41 Ca 0.05 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 1tid h LYS 41 Cb 0.62 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1tid h LYS 41 CO 0.03 0.62 -0.12 1.15 -0.57 0.00 0.00 179.45 180.56 1tid h THR 42 N 0.66 1.28 0.01 -0.16 2.02 -0.98 -1.54 112.91 114.21 1tid h THR 42 Ca 0.15 -1.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.12 1tid h THR 42 Cb 0.25 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1tid h THR 42 CO -0.00 0.39 -0.01 0.58 0.37 0.00 0.00 175.52 176.85 1tid h VAL 43 N 0.46 1.10 -0.16 3.16 2.07 -0.20 0.59 116.25 123.28 1tid h VAL 43 Ca 0.08 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.31 1tid h VAL 43 Cb 0.64 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 1tid h VAL 43 CO 0.04 0.09 -0.20 0.58 0.02 0.00 0.00 177.57 178.10 1tid h VAL 44 N -0.16 0.49 -0.92 2.57 2.07 -0.44 -0.93 116.25 118.92 1tid h VAL 44 Ca -0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1tid h VAL 44 Cb 0.16 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 1tid h VAL 44 CO 0.00 0.00 0.60 -1.28 0.02 0.00 0.00 177.57 176.91 1tid h SER 45 N -0.24 0.94 -0.20 0.57 0.87 -1.15 0.10 113.55 114.44 1tid h SER 45 Ca 0.11 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1tid h SER 45 Cb 0.40 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1tid h SER 45 CO -0.30 0.61 0.08 -0.33 -0.53 0.00 0.00 176.83 176.36 1tid h GLU 46 N 1.07 0.30 -0.16 2.24 4.39 0.30 -0.94 114.58 121.78 1tid h GLU 46 Ca 0.39 -0.05 -0.20 0.00 0.34 0.00 0.00 59.36 59.84 1tid h GLU 46 Cb 0.16 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1tid h GLU 46 CO -0.14 0.36 -0.66 0.00 -1.16 0.00 0.00 179.01 177.40 1tid h ALA 47 N 0.92 0.30 -0.42 3.43 0.00 -0.90 -2.53 119.26 120.07 1tid h ALA 47 Ca 0.07 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 1tid h ALA 47 Cb 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1tid h ALA 47 CO -0.01 0.60 -0.07 0.28 0.00 0.00 0.00 179.25 180.05 1tid h VAL 48 N 0.45 1.25 -0.16 0.00 2.07 -0.83 -1.89 116.25 117.15 1tid h VAL 48 Ca -0.04 -1.08 -0.14 0.00 0.82 0.00 0.00 66.70 66.26 1tid h VAL 48 Cb 1.29 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1tid h VAL 48 CO 0.14 0.37 -0.51 0.74 0.02 0.00 0.00 177.57 178.32 1tid h THR 49 N 0.67 1.33 0.17 2.57 2.02 -1.18 -2.04 112.91 116.45 1tid h THR 49 Ca 0.12 -1.76 -0.01 0.00 0.77 0.00 0.00 66.41 65.54 1tid h THR 49 Cb 0.52 1.77 -0.00 0.00 -1.74 0.00 0.00 68.15 68.70 1tid h THR 49 CO 0.03 0.54 -0.09 0.78 0.37 0.00 0.00 175.52 177.14 1tid h ASN 50 N 0.34 -0.23 -0.49 4.18 2.35 -0.98 0.46 115.58 121.22 1tid h ASN 50 Ca 0.01 0.01 0.07 0.00 -0.55 0.00 0.00 56.30 55.85 1tid h ASN 50 Cb 1.02 0.06 -0.06 0.00 0.05 0.00 0.00 38.32 39.39 1tid h ASN 50 CO 0.09 -0.15 0.15 0.00 -1.65 0.00 0.00 177.43 175.87 1tid h ALA 51 N 0.58 0.59 -0.15 -0.83 0.00 -1.24 0.37 119.26 118.57 1tid h ALA 51 Ca -0.02 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1tid h ALA 51 Cb 0.20 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1tid h ALA 51 CO 0.03 -0.25 -0.54 0.82 0.00 0.00 0.00 179.25 179.31 1tid h ILE 52 N 0.31 1.34 0.01 0.00 2.04 -1.04 -1.09 117.51 119.08 1tid h ILE 52 Ca 0.24 -1.81 -0.34 0.00 1.00 0.00 0.00 64.86 63.96 1tid h ILE 52 Cb 0.28 1.81 -0.06 0.00 -0.74 0.00 0.00 36.82 38.11 1tid h ILE 52 CO -0.27 0.55 -2.07 -0.38 0.00 0.00 0.00 178.15 175.98 1tid n ILE 53 N -3.95 1.52 0.46 -0.67 5.41 0.12 -1.61 119.36 120.65 1tid n ILE 53 Ca -0.03 -0.80 0.08 0.00 1.00 0.00 0.00 62.75 63.00 1tid n ILE 53 Cb 0.59 -0.85 0.09 0.00 -0.71 0.00 0.00 39.64 38.77 1tid n ILE 53 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1tid n HIS 54 N -2.95 0.13 0.01 1.39 8.25 0.13 -4.44 115.22 117.73 1tid n HIS 54 Ca -0.27 -0.10 -0.01 0.00 -0.26 0.00 0.00 57.72 57.08 1tid n HIS 54 Cb 1.10 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 32.20 1tid n HIS 54 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1tid n GLY 55 N 0.87 -0.12 3.66 -1.41 0.00 -0.45 -4.63 105.19 103.11 1tid n GLY 55 Ca 0.10 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1tid n GLY 55 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tid s TYR 56 N -1.64 3.32 -1.28 1.61 1.51 -0.96 -1.60 117.35 118.31 1tid s TYR 56 Ca -0.04 0.34 -0.19 0.00 -1.01 0.00 0.00 57.07 56.17 1tid s TYR 56 Cb 0.01 -2.36 0.04 0.00 -0.11 0.00 0.00 41.96 39.54 1tid s TYR 56 CO 0.06 0.02 1.78 0.09 -1.11 0.00 0.00 175.55 176.39 1tid n ASN 57 N 4.43 4.63 0.00 2.29 3.02 -1.26 -3.66 115.26 124.71 1tid n ASN 57 Ca -0.13 -2.88 0.00 0.00 -0.03 0.00 0.00 54.58 51.54 1tid n ASN 57 Cb 0.52 -1.75 0.00 0.00 -0.61 0.00 0.00 39.78 37.94 1tid n ASN 57 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1tid n ASN 58 N 9.32 0.00 -4.69 6.41 3.02 -0.63 -4.94 115.26 123.75 1tid n ASN 58 Ca 0.48 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.61 1tid n ASN 58 Cb 0.46 -0.96 -0.03 0.00 -0.61 0.00 0.00 39.78 38.65 1tid n ASN 58 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1tid s ASP 59 N -2.77 6.81 0.51 6.41 -1.08 -1.26 -4.88 116.67 120.41 1tid s ASP 59 Ca 0.00 2.18 0.29 0.00 -0.52 0.00 0.00 52.55 54.50 1tid s ASP 59 Cb 0.00 -2.56 1.18 0.00 -1.46 0.00 0.00 42.92 40.07 1tid s ASP 59 CO 0.00 -0.74 1.92 1.55 0.52 0.00 0.00 175.17 178.42 1tid h PRO 60 N 7.88 0.00 0.00 4.34 0.13 -1.92 -3.26 132.00 139.16 1tid h PRO 60 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1tid h PRO 60 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1tid h PRO 60 CO 0.91 0.09 0.00 0.09 -0.23 0.00 0.00 178.00 178.86 1tid n ASN 61 N -3.23 0.00 -4.84 1.44 3.02 -1.26 -2.72 115.26 107.67 1tid n ASN 61 Ca 0.00 0.39 -0.31 0.00 -0.03 0.00 0.00 54.58 54.64 1tid n ASN 61 Cb 0.36 -0.43 0.05 0.00 -0.61 0.00 0.00 39.78 39.15 1tid n ASN 61 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1tid s GLY 62 N -2.86 1.65 -0.07 7.41 0.00 -1.23 -4.87 107.32 107.35 1tid s GLY 62 Ca 0.05 -0.11 0.02 0.00 0.00 0.00 0.00 44.72 44.69 1tid s GLY 62 CO 0.15 0.23 -0.13 -0.42 0.00 0.00 0.00 173.10 172.93 1tid s ILE 63 N -3.16 1.17 -0.20 0.90 -1.09 -1.26 -0.55 121.20 117.00 1tid s ILE 63 Ca 0.58 -0.50 -0.08 0.00 -2.23 0.00 0.00 60.65 58.42 1tid s ILE 63 Cb -0.13 -1.07 -0.04 0.00 -1.58 0.00 0.00 42.46 39.64 1tid s ILE 63 CO 0.54 0.36 0.08 -0.69 -1.23 0.00 0.00 174.94 174.00 1tid s VAL 64 N 0.66 4.79 -0.22 2.92 1.01 -0.86 -4.37 120.40 124.32 1tid s VAL 64 Ca -0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 1tid s VAL 64 Cb -0.16 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.05 1tid s VAL 64 CO 0.04 0.42 -0.10 -0.55 0.00 0.00 0.00 175.10 174.91 1tid s SER 65 N 0.72 3.97 -0.14 3.32 0.15 -1.26 -2.57 113.70 117.90 1tid s SER 65 Ca 0.04 -0.72 -0.04 0.00 0.70 0.00 0.00 55.95 55.93 1tid s SER 65 Cb -0.13 -1.62 -0.03 0.00 -1.71 0.00 0.00 66.02 62.52 1tid s SER 65 CO 0.02 -0.07 0.02 -0.63 1.20 0.00 0.00 173.24 173.78 1tid s ILE 66 N 1.34 4.41 -0.05 6.45 1.01 0.12 -1.44 121.20 133.04 1tid s ILE 66 Ca 0.03 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.54 1tid s ILE 66 Cb -0.15 -2.92 -0.01 0.00 0.01 0.00 0.00 42.46 39.39 1tid s ILE 66 CO -0.07 0.53 -0.20 -0.44 0.00 0.00 0.00 174.94 174.76 1tid s SER 67 N -0.16 2.54 -0.30 3.58 0.01 -0.10 -0.54 113.70 118.72 1tid s SER 67 Ca 0.05 -0.42 -0.00 0.00 1.31 0.00 0.00 55.95 56.89 1tid s SER 67 Cb -0.12 -0.72 0.10 0.00 0.21 0.00 0.00 66.02 65.48 1tid s SER 67 CO 0.02 0.19 0.09 -0.69 0.41 0.00 0.00 173.24 173.25 1tid s VAL 68 N -0.02 1.01 -0.39 3.43 1.01 -1.26 -1.23 120.40 122.95 1tid s VAL 68 Ca -0.04 -1.44 -0.11 0.00 0.00 0.00 0.00 61.98 60.38 1tid s VAL 68 Cb -0.13 -1.74 0.04 0.00 0.00 0.00 0.00 36.38 34.55 1tid s VAL 68 CO 0.03 -0.63 0.23 -0.63 0.00 0.00 0.00 175.10 174.10 1tid s ILE 69 N 1.56 4.61 -0.14 2.22 1.09 -0.72 -4.24 121.20 125.57 1tid s ILE 69 Ca 0.09 -0.92 -0.10 0.00 -1.10 0.00 0.00 60.65 58.61 1tid s ILE 69 Cb -0.17 -3.61 -0.05 0.00 -1.06 0.00 0.00 42.46 37.57 1tid s ILE 69 CO -0.22 -0.29 0.20 -0.63 -0.10 0.00 0.00 174.94 173.89 1tid s ILE 70 N 1.55 5.38 -0.27 2.92 1.01 0.06 -1.71 121.20 130.14 1tid s ILE 70 Ca 0.02 0.34 -0.17 0.00 0.00 0.00 0.00 60.65 60.85 1tid s ILE 70 Cb -0.20 -3.51 0.08 0.00 0.01 0.00 0.00 42.46 38.84 1tid s ILE 70 CO 0.06 0.50 0.67 -0.70 0.00 0.00 0.00 174.94 175.48 1tid s GLU 71 N -0.23 0.71 -1.33 2.79 2.12 -0.29 -1.90 118.70 120.57 1tid s GLU 71 Ca 0.14 1.16 -0.08 0.00 0.36 0.00 0.00 54.97 56.55 1tid s GLU 71 Cb -0.12 0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.44 1tid s GLU 71 CO 0.03 -0.14 0.52 -0.25 -0.54 0.00 0.00 175.26 174.87 1tid n ASP 72 N 4.07 -1.81 0.00 -1.70 8.00 -1.26 -0.31 116.55 123.53 1tid n ASP 72 Ca -0.19 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.27 1tid n ASP 72 Cb 0.58 -2.98 0.00 0.00 -0.02 0.00 0.00 41.12 38.70 1tid n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tid n GLY 73 N -1.94 0.36 3.69 0.44 0.00 -1.26 -4.98 105.19 101.50 1tid n GLY 73 Ca -0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1tid n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tid s VAL 74 N -2.02 4.40 -0.38 1.61 1.01 0.57 -5.04 120.40 120.56 1tid s VAL 74 Ca 0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 61.98 61.64 1tid s VAL 74 Cb 0.00 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.53 1tid s VAL 74 CO 0.00 0.60 0.25 -0.69 0.00 0.00 0.00 175.10 175.26 1tid s VAL 75 N -0.85 5.03 -0.59 2.92 1.01 0.26 -1.14 120.40 127.04 1tid s VAL 75 Ca 0.13 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 1tid s VAL 75 Cb -0.11 -3.74 0.15 0.00 0.00 0.00 0.00 36.38 32.68 1tid s VAL 75 CO 0.02 -0.20 0.49 -1.00 0.00 0.00 0.00 175.10 174.42 1tid s HIS 76 N 1.65 3.46 -0.10 5.22 3.76 -0.69 -2.17 115.29 126.43 1tid s HIS 76 Ca 0.04 -1.89 -0.09 0.00 -0.15 0.00 0.00 55.06 52.98 1tid s HIS 76 Cb -0.19 -3.60 -0.04 0.00 1.11 0.00 0.00 32.58 29.86 1tid s HIS 76 CO 0.09 -0.98 0.20 -1.17 -0.85 0.00 0.00 174.74 172.03 1tid s LEU 77 N 0.94 4.40 0.02 0.89 2.96 0.06 -1.76 118.68 126.19 1tid s LEU 77 Ca 0.09 0.57 0.00 0.00 -0.22 0.00 0.00 54.13 54.57 1tid s LEU 77 Cb -0.23 -2.18 -0.02 0.00 0.50 0.00 0.00 46.19 44.26 1tid s LEU 77 CO -0.02 0.38 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.47 1tid s THR 78 N -0.96 0.11 0.05 3.68 2.01 -0.37 0.06 115.64 120.22 1tid s THR 78 Ca 0.17 -0.86 0.06 0.00 0.31 0.00 0.00 61.69 61.36 1tid s THR 78 Cb -0.13 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 72.11 1tid s THR 78 CO 0.06 -0.47 -0.16 -0.69 -0.69 0.00 0.00 174.62 172.67 1tid s VAL 79 N -1.38 1.28 0.35 3.82 1.01 -0.86 -0.92 120.40 123.70 1tid s VAL 79 Ca -0.15 -1.16 0.01 0.00 0.00 0.00 0.00 61.98 60.68 1tid s VAL 79 Cb -0.09 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.13 1tid s VAL 79 CO -0.01 -0.01 0.08 0.54 0.00 0.00 0.00 175.10 175.70 1tid n ARG 80 N 1.66 1.11 -2.90 2.72 5.12 -0.52 -2.50 116.66 121.35 1tid n ARG 80 Ca -0.19 -2.41 0.04 0.00 -1.93 0.00 0.00 57.85 53.36 1tid n ARG 80 Cb 0.54 0.53 0.00 0.00 -1.16 0.00 0.00 32.46 32.38 1tid n ARG 80 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1tid s ASP 81 N -2.95 -0.05 -0.22 0.55 -1.08 -1.12 -4.39 116.67 107.41 1tid s ASP 81 Ca 0.06 -0.01 -0.01 0.00 -0.52 0.00 0.00 52.55 52.08 1tid s ASP 81 Cb -0.01 0.54 0.15 0.00 -1.46 0.00 0.00 42.92 42.15 1tid s ASP 81 CO 0.04 -0.01 1.96 -1.84 0.52 0.00 0.00 175.17 175.85 1tid n GLU 82 N 4.25 1.55 -0.09 4.34 -0.00 -1.26 -2.31 120.64 127.12 1tid n GLU 82 Ca 0.07 -1.09 0.00 0.00 -0.00 0.00 0.00 57.16 56.15 1tid n GLU 82 Cb 0.62 -1.43 0.00 0.00 -0.00 0.00 0.00 31.44 30.63 1tid n GLU 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1tid n GLY 83 N 0.64 7.50 3.75 -1.84 0.00 -1.26 -4.91 105.19 109.08 1tid n GLY 83 Ca 0.21 -2.04 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 1tid n GLY 83 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1tid s VAL 84 N 0.94 2.44 0.00 1.61 -7.23 -0.63 -3.91 120.40 113.62 1tid s VAL 84 Ca 0.00 0.30 0.00 0.00 -1.81 0.00 0.00 61.98 60.47 1tid s VAL 84 Cb 0.00 -3.14 0.00 0.00 0.56 0.00 0.00 36.38 33.80 1tid s VAL 84 CO 0.00 -0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 1tid n GLY 85 N 0.63 6.04 3.32 2.32 0.00 -1.26 -4.20 105.19 112.04 1tid n GLY 85 Ca 0.11 -2.11 -0.45 0.00 0.00 0.00 0.00 46.02 43.57 1tid n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tid s ILE 86 N 0.19 5.13 0.42 -0.61 1.01 -1.26 -4.87 121.20 121.20 1tid s ILE 86 Ca 0.00 -1.41 0.09 0.00 0.00 0.00 0.00 60.65 59.33 1tid s ILE 86 Cb 0.00 -4.24 0.22 0.00 0.01 0.00 0.00 42.46 38.45 1tid s ILE 86 CO 0.00 -0.79 2.01 1.55 0.00 0.00 0.00 174.94 177.71 1tid h PRO 87 N 8.82 0.33 -2.10 2.79 0.13 -1.96 -3.26 132.00 136.75 1tid h PRO 87 Ca -0.29 -0.04 -0.57 0.00 -0.87 0.00 0.00 66.00 64.23 1tid h PRO 87 Cb 1.10 -0.06 -0.40 0.00 0.13 0.00 0.00 31.00 31.77 1tid h PRO 87 CO 0.98 0.32 -0.96 -3.47 -0.23 0.00 0.00 178.00 174.64 1tid n ASP 88 N -4.40 1.04 -0.16 1.44 -0.08 -1.26 -4.98 116.55 108.15 1tid n ASP 88 Ca 0.00 -2.86 -0.05 0.00 -1.51 0.00 0.00 54.79 50.37 1tid n ASP 88 Cb 0.15 -0.64 0.01 0.00 2.34 0.00 0.00 41.12 42.98 1tid n ASP 88 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1tid h ILE 89 N 2.53 0.28 -0.72 5.18 2.04 -1.96 -0.51 117.51 124.34 1tid h ILE 89 Ca 0.12 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.12 1tid h ILE 89 Cb 0.83 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1tid h ILE 89 CO 0.55 0.00 0.49 -0.33 0.00 0.00 0.00 178.15 178.85 1tid h GLU 90 N -0.16 0.36 -0.02 2.37 5.08 -1.93 0.14 114.58 120.43 1tid h GLU 90 Ca 0.22 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.40 1tid h GLU 90 Cb 0.51 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1tid h GLU 90 CO -0.58 0.24 -0.71 1.49 -1.00 0.00 0.00 179.01 178.44 1tid h GLU 91 N 0.37 0.11 0.00 2.33 4.81 -1.55 -2.69 114.58 117.96 1tid h GLU 91 Ca 0.35 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.39 1tid h GLU 91 Cb 0.85 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 1tid h GLU 91 CO -0.10 0.77 -0.46 0.00 -0.73 0.00 0.00 179.01 178.48 1tid h ALA 92 N 1.20 1.06 0.00 2.92 0.00 0.18 -1.91 119.26 122.71 1tid h ALA 92 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1tid h ALA 92 Cb 1.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1tid h ALA 92 CO 0.10 0.58 0.00 -2.13 0.00 0.00 0.00 179.25 177.80 1tid n ARG 93 N -3.74 0.33 -2.89 0.00 3.00 -0.34 -4.69 116.66 108.33 1tid n ARG 93 Ca -0.01 0.09 -0.41 0.00 -0.00 0.00 0.00 57.85 57.52 1tid n ARG 93 Cb 0.53 -1.50 -0.04 0.00 0.00 0.00 0.00 32.46 31.45 1tid n ARG 93 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 1tid s GLN 94 N -2.36 4.31 0.09 -0.14 -2.07 -0.72 -4.99 119.66 113.78 1tid s GLN 94 Ca 0.18 1.02 -0.35 0.00 -1.82 0.00 0.00 55.36 54.39 1tid s GLN 94 Cb 0.11 -3.57 -0.18 0.00 -1.09 0.00 0.00 33.01 28.28 1tid s GLN 94 CO 0.22 -0.31 0.99 -2.30 -1.32 0.00 0.00 175.29 172.57 1tid n PRO 95 N 5.16 0.37 -0.14 9.60 -0.01 -1.26 -2.08 135.00 146.65 1tid n PRO 95 Ca 0.04 0.13 0.00 0.00 -0.01 0.00 0.00 63.50 63.67 1tid n PRO 95 Cb 0.49 -1.53 0.00 0.00 -0.01 0.00 0.00 33.50 32.45 1tid n PRO 95 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 175.50 176.77 1tid n LEU 96 N 1.82 0.04 -4.74 2.45 4.77 -0.74 -5.01 117.00 115.60 1tid n LEU 96 Ca 0.18 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.75 1tid n LEU 96 Cb 0.17 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1tid n LEU 96 CO 0.60 -0.02 1.15 0.12 -1.33 0.00 0.00 177.39 177.91 1tid s PHE 97 N -2.58 2.98 -0.05 -1.77 5.36 -0.88 -4.10 117.98 116.94 1tid s PHE 97 Ca 0.00 0.92 -0.15 0.00 -0.96 0.00 0.00 56.93 56.74 1tid s PHE 97 Cb 0.00 -3.88 0.03 0.00 -0.34 0.00 0.00 43.02 38.83 1tid s PHE 97 CO 0.00 -2.95 0.34 -0.08 -1.46 0.00 0.00 175.22 171.06 1tid s THR 98 N 0.19 0.04 -0.05 0.12 -1.32 -1.26 -4.26 115.64 109.10 1tid s THR 98 Ca 0.62 -0.33 0.03 0.00 -1.21 0.00 0.00 61.69 60.80 1tid s THR 98 Cb -0.43 -0.60 -0.25 0.00 -1.51 0.00 0.00 72.50 69.71 1tid s THR 98 CO 0.42 -0.18 0.66 0.74 -2.21 0.00 0.00 174.62 174.05 1tid h THR 99 N 4.02 0.90 -3.74 5.08 2.02 -1.96 -3.44 112.91 115.79 1tid h THR 99 Ca -0.29 -2.66 -0.78 0.00 0.77 0.00 0.00 66.41 63.45 1tid h THR 99 Cb 1.18 2.55 -0.26 0.00 -1.74 0.00 0.00 68.15 69.88 1tid h THR 99 CO 0.37 0.71 0.13 -0.54 0.37 0.00 0.00 175.52 176.56 1tid s LYS 100 N -2.60 3.60 -0.02 6.66 -0.14 -1.26 -4.80 119.74 121.18 1tid s LYS 100 Ca -0.10 -2.42 0.22 0.00 -1.36 0.00 0.00 55.97 52.30 1tid s LYS 100 Cb 0.07 -4.45 -0.30 0.00 -1.68 0.00 0.00 37.83 31.47 1tid s LYS 100 CO 0.82 -1.32 0.52 -0.35 -0.76 0.00 0.00 175.35 174.26 1tid n PRO 101 N 4.12 0.66 0.26 -1.68 -0.04 -1.26 -0.97 135.00 136.08 1tid n PRO 101 Ca 0.14 -0.16 0.15 0.00 -0.04 0.00 0.00 63.50 63.59 1tid n PRO 101 Cb 0.47 -1.55 0.54 0.00 -0.04 0.00 0.00 33.50 32.92 1tid n PRO 101 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1tid h GLU 102 N 0.00 0.00 -0.51 0.54 3.07 -1.95 -1.58 114.58 114.15 1tid h GLU 102 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1tid h GLU 102 Cb 1.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 1tid h GLU 102 CO 0.00 0.03 0.00 1.28 -1.40 0.00 0.00 179.01 178.92 1tid n LEU 103 N -3.13 4.82 -4.14 1.33 4.77 -1.25 -4.97 117.00 114.42 1tid n LEU 103 Ca 0.01 -2.73 -0.34 0.00 -0.03 0.00 0.00 56.01 52.92 1tid n LEU 103 Cb 0.37 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 40.86 1tid n LEU 103 CO 0.29 0.71 -0.04 -0.62 -1.33 0.00 0.00 177.39 176.40 1tid n GLU 104 N 0.51 -3.49 -3.05 3.23 1.02 -0.59 -4.95 120.64 113.32 1tid n GLU 104 Ca 0.25 0.41 -0.39 0.00 -0.02 0.00 0.00 57.16 57.40 1tid n GLU 104 Cb 0.98 -5.06 -0.06 0.00 -0.02 0.00 0.00 31.44 27.28 1tid n GLU 104 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1tid s ARG 105 N -6.84 4.47 0.00 3.49 1.81 -0.14 -4.98 118.95 116.75 1tid s ARG 105 Ca 0.62 1.03 0.24 0.00 -1.72 0.00 0.00 55.73 55.90 1tid s ARG 105 Cb -0.33 -3.29 0.32 0.00 -0.45 0.00 0.00 34.95 31.19 1tid s ARG 105 CO 0.91 0.49 1.29 -1.13 -0.68 0.00 0.00 175.30 176.18 1tid n SER 106 N 2.03 1.49 -1.87 0.23 3.41 -1.26 -4.69 113.62 112.96 1tid n SER 106 Ca -0.06 -1.18 -0.01 0.00 -0.26 0.00 0.00 58.87 57.36 1tid n SER 106 Cb 0.50 0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 1tid n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tid n GLY 107 N 1.39 -0.76 5.00 5.00 0.00 -1.26 -4.53 105.19 110.04 1tid n GLY 107 Ca 0.10 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1tid n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tid n GLY 109 N -0.68 1.43 0.28 -0.02 0.00 -1.26 -1.79 105.19 103.15 1tid n GLY 109 Ca 0.02 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1tid n GLY 109 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1tid h PHE 110 N 0.00 1.14 -0.74 1.61 -1.00 -1.94 -3.03 116.94 112.99 1tid h PHE 110 Ca 0.00 -0.28 0.10 0.00 2.81 0.00 0.00 57.97 60.60 1tid h PHE 110 Cb 0.00 -0.27 -0.05 0.00 3.61 0.00 0.00 35.95 39.24 1tid h PHE 110 CO 0.00 1.10 0.48 1.15 -1.61 0.00 0.00 178.31 179.44 1tid h THR 111 N 0.85 0.93 0.00 -1.55 2.02 -1.95 -0.34 112.91 112.88 1tid h THR 111 Ca 0.11 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1tid h THR 111 Cb 0.79 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1tid h THR 111 CO 0.07 0.12 0.00 -0.38 0.37 0.00 0.00 175.52 175.69 1tid n ILE 112 N -4.49 0.34 0.00 3.11 5.41 -1.15 -2.59 119.36 120.00 1tid n ILE 112 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.87 1tid n ILE 112 Cb 0.34 -0.59 0.00 0.00 -0.71 0.00 0.00 39.64 38.68 1tid n ILE 112 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1tid n GLU 114 N 0.49 0.00 0.19 0.38 0.28 -0.14 -1.86 120.64 119.99 1tid n GLU 114 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.08 1tid n GLU 114 Cb 0.23 0.00 0.18 0.00 1.43 0.00 0.00 31.44 33.29 1tid n GLU 114 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 1tid h ASN 115 N 0.00 0.00 -0.61 -1.84 -0.26 -1.75 -3.43 115.58 107.68 1tid h ASN 115 Ca 0.00 0.00 -0.16 0.00 -0.56 0.00 0.00 56.30 55.58 1tid h ASN 115 Cb 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 38.32 37.16 1tid h ASN 115 CO 0.00 0.25 0.21 0.49 -1.06 0.00 0.00 177.43 177.31 1tid n PHE 116 N -3.20 2.05 0.11 1.19 0.99 -0.78 -5.15 117.46 112.68 1tid n PHE 116 Ca 0.02 -0.99 0.02 0.00 -0.00 0.00 0.00 57.45 56.50 1tid n PHE 116 Cb 0.59 -0.59 -0.03 0.00 -1.00 0.00 0.00 39.48 38.45 1tid n PHE 116 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1tid n ASP 118 N -0.01 1.94 -3.58 4.37 8.00 -0.39 -4.92 116.55 121.97 1tid n ASP 118 Ca 0.33 -0.33 -0.16 0.00 0.71 0.00 0.00 54.79 55.35 1tid n ASP 118 Cb 1.21 1.09 -0.07 0.00 -0.02 0.00 0.00 41.12 43.34 1tid n ASP 118 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1tid s GLU 119 N -1.81 0.95 -0.21 -1.24 2.12 -1.20 -4.98 118.70 112.33 1tid s GLU 119 Ca 0.00 0.53 -0.04 0.00 0.36 0.00 0.00 54.97 55.83 1tid s GLU 119 Cb 0.03 0.45 0.11 0.00 0.26 0.00 0.00 34.13 34.98 1tid s GLU 119 CO 0.18 -0.23 0.27 0.08 -0.54 0.00 0.00 175.26 175.02 1tid s VAL 120 N -0.56 -0.41 -0.25 3.70 1.01 -1.26 -2.41 120.40 120.22 1tid s VAL 120 Ca -0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 1tid s VAL 120 Cb -0.02 -0.72 0.03 0.00 0.00 0.00 0.00 36.38 35.67 1tid s VAL 120 CO 0.06 -0.18 -0.05 -0.63 0.00 0.00 0.00 175.10 174.30 1tid s ILE 121 N 2.39 2.95 -0.33 2.22 1.01 0.07 -4.97 121.20 124.53 1tid s ILE 121 Ca 0.09 -1.03 -0.09 0.00 0.00 0.00 0.00 60.65 59.62 1tid s ILE 121 Cb -0.16 -2.51 0.02 0.00 0.01 0.00 0.00 42.46 39.82 1tid s ILE 121 CO -0.13 0.17 0.14 -0.69 0.00 0.00 0.00 174.94 174.43 1tid s VAL 122 N 1.33 4.28 0.09 2.92 1.01 -1.26 -0.02 120.40 128.75 1tid s VAL 122 Ca -0.00 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1tid s VAL 122 Cb -0.17 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1tid s VAL 122 CO -0.04 -0.07 0.12 -1.61 0.00 0.00 0.00 175.10 173.50 1tid s GLU 123 N 1.53 3.01 -0.29 2.72 2.02 0.06 -4.97 118.70 122.77 1tid s GLU 123 Ca 0.02 -0.66 -0.28 0.00 0.02 0.00 0.00 54.97 54.08 1tid s GLU 123 Cb -0.18 -2.79 0.19 0.00 0.10 0.00 0.00 34.13 31.45 1tid s GLU 123 CO 0.05 0.57 1.40 0.45 0.02 0.00 0.00 175.26 177.74 1tid s SER 124 N -2.50 -0.03 -0.01 -0.19 0.15 -1.26 -0.53 113.70 109.32 1tid s SER 124 Ca 0.31 0.05 0.03 0.00 0.70 0.00 0.00 55.95 57.03 1tid s SER 124 Cb -0.12 0.04 -0.01 0.00 -1.71 0.00 0.00 66.02 64.22 1tid s SER 124 CO 0.23 -0.02 -0.08 -1.83 1.20 0.00 0.00 173.24 172.74 1tid s GLU 125 N -0.65 0.66 0.75 5.44 -1.05 -1.18 -4.96 118.70 117.72 1tid s GLU 125 Ca 0.09 -0.29 -0.15 0.00 -0.15 0.00 0.00 54.97 54.47 1tid s GLU 125 Cb -0.02 -0.64 0.05 0.00 -0.44 0.00 0.00 34.13 33.08 1tid s GLU 125 CO -0.11 0.17 1.22 0.08 0.95 0.00 0.00 175.26 177.57 1tid s VAL 126 N -0.19 2.16 0.00 1.83 1.01 -1.26 -2.71 120.40 121.24 1tid s VAL 126 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1tid s VAL 126 Cb -0.03 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1tid s VAL 126 CO -0.00 -0.04 0.00 0.59 0.00 0.00 0.00 175.10 175.64 1tid n ASN 127 N -2.87 0.00 -0.05 3.32 5.03 -1.26 -4.55 115.26 114.87 1tid n ASN 127 Ca 0.14 0.00 -0.04 0.00 0.87 0.00 0.00 54.58 55.55 1tid n ASN 127 Cb 0.50 -1.17 -0.01 0.00 -1.02 0.00 0.00 39.78 38.08 1tid n ASN 127 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1tid n LYS 128 N -1.30 0.31 -3.73 3.52 5.02 -1.13 -4.87 118.16 115.98 1tid n LYS 128 Ca 0.00 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 1tid n LYS 128 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 1tid n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tid n GLY 129 N 1.63 -1.87 2.91 0.72 0.00 -1.10 -4.24 105.19 103.24 1tid n GLY 129 Ca -0.06 -1.18 -0.15 0.00 0.00 0.00 0.00 46.02 44.64 1tid n GLY 129 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tid s THR 130 N -2.53 0.28 -0.18 2.61 2.01 -0.98 -3.09 115.64 113.76 1tid s THR 130 Ca 0.00 -0.11 -0.02 0.00 0.31 0.00 0.00 61.69 61.87 1tid s THR 130 Cb 0.00 -0.26 0.05 0.00 0.01 0.00 0.00 72.50 72.30 1tid s THR 130 CO 0.00 0.10 0.02 -0.89 -0.69 0.00 0.00 174.62 173.16 1tid s THR 131 N 0.16 0.62 -0.34 -0.82 2.01 0.31 -2.80 115.64 114.77 1tid s THR 131 Ca -0.01 -0.52 -0.13 0.00 0.31 0.00 0.00 61.69 61.34 1tid s THR 131 Cb -0.04 -1.03 -0.01 0.00 0.01 0.00 0.00 72.50 71.42 1tid s THR 131 CO -0.00 -0.11 0.24 -0.69 -0.69 0.00 0.00 174.62 173.36 1tid s VAL 132 N 1.83 5.19 -0.27 3.82 1.01 -1.04 -0.76 120.40 130.18 1tid s VAL 132 Ca -0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 1tid s VAL 132 Cb -0.16 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 1tid s VAL 132 CO -0.07 -0.03 0.19 -0.47 0.00 0.00 0.00 175.10 174.72 1tid s TYR 133 N 1.70 3.25 -0.03 5.22 5.04 0.98 -2.03 117.35 131.49 1tid s TYR 133 Ca 0.06 0.17 0.07 0.00 -2.44 0.00 0.00 57.07 54.93 1tid s TYR 133 Cb -0.18 -2.36 -0.02 0.00 0.35 0.00 0.00 41.96 39.76 1tid s TYR 133 CO 0.10 -0.09 -0.24 -0.51 -1.34 0.00 0.00 175.55 173.47 1tid s LEU 134 N 1.55 2.16 0.02 6.97 1.02 0.11 -0.75 118.68 129.75 1tid s LEU 134 Ca 0.08 -0.43 0.06 0.00 0.02 0.00 0.00 54.13 53.85 1tid s LEU 134 Cb -0.15 -1.38 -0.02 0.00 0.02 0.00 0.00 46.19 44.66 1tid s LEU 134 CO 0.09 0.32 -0.17 -0.75 0.02 0.00 0.00 176.35 175.86 1tid s LYS 135 N -0.60 1.24 0.00 1.70 2.20 -1.01 -0.76 119.74 122.51 1tid s LYS 135 Ca 0.09 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 54.98 1tid s LYS 135 Cb -0.10 -1.25 0.00 0.00 -1.51 0.00 0.00 37.83 34.97 1tid s LYS 135 CO -0.00 0.33 0.00 1.17 -0.36 0.00 0.00 175.35 176.48