#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tbu n LEU 15 N 0.00 0.00 -4.60 9.51 4.77 -1.26 -4.65 117.00 120.77 1tbu n LEU 15 Ca 0.00 0.18 -0.45 0.00 -0.03 0.00 0.00 56.01 55.71 1tbu n LEU 15 Cb 0.00 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.63 1tbu n LEU 15 CO 0.00 0.00 0.62 1.21 -1.33 0.00 0.00 177.39 177.89 1tbu n GLU 16 N -1.07 1.43 -4.22 3.23 2.13 -1.26 -4.87 120.64 116.01 1tbu n GLU 16 Ca 0.00 0.50 -0.23 0.00 0.66 0.00 0.00 57.16 58.09 1tbu n GLU 16 Cb 0.18 -1.91 -0.06 0.00 0.27 0.00 0.00 31.44 29.92 1tbu n GLU 16 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1tbu s LEU 17 N 0.32 3.44 -0.19 4.31 1.43 -1.26 -2.95 118.68 123.78 1tbu s LEU 17 Ca 0.59 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 53.19 1tbu s LEU 17 Cb -0.70 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 43.54 1tbu s LEU 17 CO 0.59 -0.01 -0.08 -0.69 0.23 0.00 0.00 176.35 176.40 1tbu s VAL 18 N -2.22 3.25 0.11 -1.59 1.01 -0.11 -4.86 120.40 115.99 1tbu s VAL 18 Ca 0.32 -0.55 -0.31 0.00 0.00 0.00 0.00 61.98 61.43 1tbu s VAL 18 Cb -0.07 -2.44 -0.08 0.00 0.00 0.00 0.00 36.38 33.79 1tbu s VAL 18 CO 0.22 0.46 1.43 -2.84 0.00 0.00 0.00 175.10 174.37 1tbu s PRO 19 N 1.05 4.29 0.00 2.72 0.02 -1.26 -1.60 135.00 140.23 1tbu s PRO 19 Ca 0.00 2.12 0.22 0.00 0.02 0.00 0.00 61.00 63.37 1tbu s PRO 19 Cb -0.15 -3.27 -0.22 0.00 0.02 0.00 0.00 34.50 30.88 1tbu s PRO 19 CO -0.01 -0.49 0.73 1.28 -0.33 0.00 0.00 177.00 178.18 1tbu n LEU 20 N 4.14 0.43 0.00 -5.54 4.77 -0.03 -4.95 117.00 115.82 1tbu n LEU 20 Ca 0.12 -0.12 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1tbu n LEU 20 Cb 0.42 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 1tbu n LEU 20 CO 0.59 0.07 0.31 -1.54 -1.33 0.00 0.00 177.39 175.49 1tbu n SER 21 N -2.02 -1.43 0.13 -1.43 3.41 -1.08 -4.90 113.62 106.31 1tbu n SER 21 Ca -0.00 -2.12 0.19 0.00 -0.26 0.00 0.00 58.87 56.68 1tbu n SER 21 Cb 0.48 2.41 0.77 0.00 -0.26 0.00 0.00 64.21 67.62 1tbu n SER 21 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1tbu h PRO 22 N 0.00 0.00 0.00 4.33 0.13 -1.98 -3.34 132.00 131.14 1tbu h PRO 22 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1tbu h PRO 22 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1tbu h PRO 22 CO 0.28 0.00 0.00 2.41 -0.23 0.00 0.00 178.00 180.46 1tbu n THR 23 N -3.76 0.00 -4.02 1.56 -1.04 -1.26 -4.69 114.28 101.07 1tbu n THR 23 Ca 0.05 -0.36 -0.08 0.00 -2.04 0.00 0.00 64.05 61.62 1tbu n THR 23 Cb 0.50 1.27 -0.11 0.00 -1.82 0.00 0.00 70.33 70.18 1tbu n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1tbu s SER 24 N -0.03 0.34 -0.15 8.00 0.01 -1.26 -1.37 113.70 119.25 1tbu s SER 24 Ca 0.00 -0.66 -0.18 0.00 1.31 0.00 0.00 55.95 56.42 1tbu s SER 24 Cb 0.00 0.13 0.05 0.00 0.21 0.00 0.00 66.02 66.40 1tbu s SER 24 CO 0.00 -0.39 0.48 -0.36 0.41 0.00 0.00 173.24 173.37 1tbu s PHE 25 N -2.24 -0.49 0.14 2.43 0.40 -0.31 -0.85 117.98 117.05 1tbu s PHE 25 Ca -0.08 1.13 0.11 0.00 -0.60 0.00 0.00 56.93 57.49 1tbu s PHE 25 Cb -0.04 0.19 -0.04 0.00 0.51 0.00 0.00 43.02 43.64 1tbu s PHE 25 CO -0.04 -0.31 -0.27 0.08 0.70 0.00 0.00 175.22 175.39 1tbu s VAL 26 N -0.11 2.27 0.27 -0.44 1.01 -0.63 -0.14 120.40 122.64 1tbu s VAL 26 Ca -0.03 -1.80 -0.30 0.00 0.00 0.00 0.00 61.98 59.85 1tbu s VAL 26 Cb -0.03 -2.02 -0.11 0.00 0.00 0.00 0.00 36.38 34.22 1tbu s VAL 26 CO 0.02 0.06 1.57 0.42 0.00 0.00 0.00 175.10 177.18 1tbu s THR 27 N -1.14 2.23 0.05 3.92 -4.23 -0.22 -0.94 115.64 115.30 1tbu s THR 27 Ca 0.15 0.19 -0.13 0.00 -1.18 0.00 0.00 61.69 60.71 1tbu s THR 27 Cb -0.10 -3.12 -0.30 0.00 1.34 0.00 0.00 72.50 70.32 1tbu s THR 27 CO 0.07 0.03 1.09 0.50 -0.54 0.00 0.00 174.62 175.76 1tbu h LYS 28 N 5.22 0.55 -5.77 3.99 3.64 -1.86 -3.45 116.57 118.89 1tbu h LYS 28 Ca -0.46 -0.80 -0.60 0.00 -1.27 0.00 0.00 60.65 57.52 1tbu h LYS 28 Cb 1.22 0.28 -0.10 0.00 -0.41 0.00 0.00 32.23 33.21 1tbu h LYS 28 CO 0.82 1.37 -0.52 0.71 -2.27 0.00 0.00 179.45 179.55 1tbu s TYR 29 N -2.84 2.46 0.00 1.91 4.12 -1.26 -5.07 117.35 116.66 1tbu s TYR 29 Ca -0.08 -0.66 0.00 0.00 0.02 0.00 0.00 57.07 56.35 1tbu s TYR 29 Cb 0.05 -1.87 0.00 0.00 -1.52 0.00 0.00 41.96 38.62 1tbu s TYR 29 CO 0.93 0.23 0.00 1.28 0.02 0.00 0.00 175.55 178.01 1tbu n LEU 30 N -1.19 0.00 -1.57 -1.29 4.77 -1.26 -4.94 117.00 111.53 1tbu n LEU 30 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1tbu n LEU 30 Cb 0.65 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1tbu n LEU 30 CO 0.46 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1tbu n GLY 39 N -1.55 0.17 0.20 -0.72 0.00 -1.26 -5.14 105.19 96.89 1tbu n GLY 39 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1tbu n GLY 39 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1tbu h THR 40 N 1.19 0.38 -0.07 2.61 2.02 -2.05 -2.74 112.91 114.25 1tbu h THR 40 Ca 0.00 -1.34 -0.01 0.00 0.77 0.00 0.00 66.41 65.83 1tbu h THR 40 Cb 0.00 2.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1tbu h THR 40 CO 0.00 0.20 0.01 0.15 0.37 0.00 0.00 175.52 176.25 1tbu h PHE 41 N 0.00 0.13 -0.31 3.16 3.57 -2.03 0.93 116.94 122.40 1tbu h PHE 41 Ca -0.00 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.53 1tbu h PHE 41 Cb 1.01 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.66 1tbu h PHE 41 CO 0.00 0.36 -0.03 0.78 -2.23 0.00 0.00 178.31 177.19 1tbu h GLY 42 N -0.13 0.27 2.00 2.40 0.00 -2.00 -0.21 103.07 105.40 1tbu h GLY 42 Ca 0.02 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 1tbu h GLY 42 CO 0.00 -0.09 -0.08 -1.33 0.00 0.00 0.00 176.54 175.04 1tbu h GLY 43 N 0.05 0.00 0.57 4.60 0.00 -1.41 -2.14 103.07 104.74 1tbu h GLY 43 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 1tbu h GLY 43 CO -0.28 0.00 -0.18 -0.84 0.00 0.00 0.00 176.54 175.24 1tbu h THR 44 N 0.00 1.45 -0.80 4.70 2.02 0.57 -2.35 112.91 118.49 1tbu h THR 44 Ca -0.00 -1.59 0.06 0.00 0.77 0.00 0.00 66.41 65.65 1tbu h THR 44 Cb 0.17 2.35 -0.06 0.00 -1.74 0.00 0.00 68.15 68.87 1tbu h THR 44 CO 0.01 0.44 0.48 -0.07 0.37 0.00 0.00 175.52 176.75 1tbu h LEU 45 N -0.32 0.74 -0.10 2.58 3.38 -0.66 -0.94 115.31 119.99 1tbu h LEU 45 Ca -0.01 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1tbu h LEU 45 Cb 0.81 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1tbu h LEU 45 CO 0.04 0.47 -0.14 0.58 0.09 0.00 0.00 178.44 179.47 1tbu h VAL 46 N 0.87 1.38 -0.19 1.22 2.07 -1.44 -0.42 116.25 119.74 1tbu h VAL 46 Ca 0.36 -1.36 0.05 0.00 0.82 0.00 0.00 66.70 66.56 1tbu h VAL 46 Cb 0.20 2.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 1tbu h VAL 46 CO -0.18 0.39 -0.19 0.28 0.02 0.00 0.00 177.57 177.89 1tbu h SER 47 N -0.14 -0.59 -0.04 0.57 0.02 -1.26 -0.40 113.55 111.70 1tbu h SER 47 Ca 0.01 0.11 -0.13 0.00 -0.84 0.00 0.00 61.79 60.95 1tbu h SER 47 Cb 0.69 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 1tbu h SER 47 CO 0.03 -0.23 -0.38 1.56 -1.14 0.00 0.00 176.83 176.67 1tbu h GLN 48 N -0.21 0.55 -0.12 3.45 4.20 -1.16 0.23 115.11 122.05 1tbu h GLN 48 Ca 0.12 -0.27 -0.11 0.00 0.06 0.00 0.00 58.65 58.45 1tbu h GLN 48 Cb 0.39 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1tbu h GLN 48 CO -0.31 0.85 -0.42 0.66 -0.67 0.00 0.00 178.83 178.94 1tbu h SER 49 N 0.46 0.28 0.07 1.46 4.64 -0.71 0.85 113.55 120.61 1tbu h SER 49 Ca 0.04 -0.12 -0.16 0.00 -0.47 0.00 0.00 61.79 61.08 1tbu h SER 49 Cb 0.87 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 1tbu h SER 49 CO 0.07 0.67 -0.58 0.25 -0.87 0.00 0.00 176.83 176.38 1tbu h LEU 50 N 0.22 0.59 -0.28 5.97 5.85 -0.71 -2.19 115.31 124.76 1tbu h LEU 50 Ca 0.02 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.37 1tbu h LEU 50 Cb 0.83 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1tbu h LEU 50 CO 0.07 1.04 0.01 -0.07 -0.34 0.00 0.00 178.44 179.14 1tbu h LEU 51 N 0.40 0.47 -0.13 2.25 3.38 -0.47 -0.98 115.31 120.24 1tbu h LEU 51 Ca 0.00 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.72 1tbu h LEU 51 Cb 1.12 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 1tbu h LEU 51 CO 0.11 0.66 -0.26 0.00 0.09 0.00 0.00 178.44 179.04 1tbu h ALA 52 N 0.83 -0.26 -0.03 1.53 0.00 -0.81 -2.41 119.26 118.11 1tbu h ALA 52 Ca 0.08 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1tbu h ALA 52 Cb 0.41 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1tbu h ALA 52 CO 0.01 -0.73 -0.31 0.66 0.00 0.00 0.00 179.25 178.89 1tbu h SER 53 N -0.33 0.05 0.59 0.00 4.64 -1.26 -1.94 113.55 115.30 1tbu h SER 53 Ca 0.10 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 1tbu h SER 53 Cb 0.48 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1tbu h SER 53 CO -0.31 0.36 -0.08 -0.07 -0.87 0.00 0.00 176.83 175.86 1tbu h LEU 54 N 0.05 0.00 -0.28 5.97 3.38 -0.68 -1.78 115.31 121.96 1tbu h LEU 54 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1tbu h LEU 54 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1tbu h LEU 54 CO 0.04 0.08 -0.09 1.41 0.09 0.00 0.00 178.44 179.97 1tbu n HIS 55 N -3.33 0.00 0.48 1.13 8.25 -0.73 -3.58 115.22 117.44 1tbu n HIS 55 Ca -0.01 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.51 1tbu n HIS 55 Cb 0.26 -0.15 0.05 0.00 1.12 0.00 0.00 29.99 31.28 1tbu n HIS 55 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1tbu n THR 56 N -0.84 0.03 -4.36 1.59 -2.24 -0.67 -5.01 114.28 102.78 1tbu n THR 56 Ca 0.16 -0.52 -0.28 0.00 -2.27 0.00 0.00 64.05 61.14 1tbu n THR 56 Cb 0.27 1.23 -0.11 0.00 -2.10 0.00 0.00 70.33 69.61 1tbu n THR 56 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1tbu s VAL 57 N -1.01 2.64 1.00 2.28 -7.23 -1.22 -5.13 120.40 111.73 1tbu s VAL 57 Ca 0.15 -1.76 -0.11 0.00 -1.81 0.00 0.00 61.98 58.44 1tbu s VAL 57 Cb 0.10 -2.24 0.19 0.00 0.56 0.00 0.00 36.38 34.99 1tbu s VAL 57 CO 0.15 -0.02 1.10 -2.84 -0.31 0.00 0.00 175.10 173.18 1tbu s PRO 58 N -2.45 0.39 0.28 4.82 0.02 -1.26 -4.88 135.00 131.91 1tbu s PRO 58 Ca 0.20 1.22 -0.00 0.00 0.02 0.00 0.00 61.00 62.43 1tbu s PRO 58 Cb -0.09 -1.68 0.63 0.00 0.02 0.00 0.00 34.50 33.38 1tbu s PRO 58 CO 0.10 -2.95 1.65 1.25 -0.33 0.00 0.00 177.00 176.72 1tbu h LEU 59 N -2.09 -0.05 -3.97 -5.54 5.85 -2.00 -1.60 115.31 105.91 1tbu h LEU 59 Ca -0.50 0.19 -0.53 0.00 0.84 0.00 0.00 57.88 57.87 1tbu h LEU 59 Cb 1.29 0.27 -0.30 0.00 0.37 0.00 0.00 40.66 42.29 1tbu h LEU 59 CO 0.46 -0.14 0.66 0.59 -0.34 0.00 0.00 178.44 179.67 1tbu n ASN 60 N -5.23 4.37 -4.43 1.25 3.02 -1.26 -4.84 115.26 108.14 1tbu n ASN 60 Ca 0.19 -3.65 -0.35 0.00 -0.03 0.00 0.00 54.58 50.74 1tbu n ASN 60 Cb 0.62 -0.85 -0.13 0.00 -0.61 0.00 0.00 39.78 38.81 1tbu n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1tbu s PHE 61 N -3.39 3.03 0.04 3.10 0.40 -0.60 -3.43 117.98 117.13 1tbu s PHE 61 Ca 0.58 -0.51 0.07 0.00 -0.60 0.00 0.00 56.93 56.47 1tbu s PHE 61 Cb 0.48 -2.10 -0.02 0.00 0.51 0.00 0.00 43.02 41.88 1tbu s PHE 61 CO 0.08 -0.29 -0.20 -0.06 0.70 0.00 0.00 175.22 175.46 1tbu s PHE 62 N 1.12 1.74 0.26 0.36 0.40 -0.64 -4.88 117.98 116.35 1tbu s PHE 62 Ca 0.03 -0.37 -0.31 0.00 -0.60 0.00 0.00 56.93 55.68 1tbu s PHE 62 Cb -0.14 -1.04 -0.12 0.00 0.51 0.00 0.00 43.02 42.23 1tbu s PHE 62 CO 0.01 0.09 1.64 -1.25 0.70 0.00 0.00 175.22 176.41 1tbu s PRO 63 N -1.18 4.12 -0.22 0.24 0.04 -1.26 -1.34 135.00 135.39 1tbu s PRO 63 Ca 0.07 2.59 0.09 0.00 0.04 0.00 0.00 61.00 63.79 1tbu s PRO 63 Cb -0.09 -3.04 -0.21 0.00 0.04 0.00 0.00 34.50 31.20 1tbu s PRO 63 CO 0.02 -0.68 -0.05 0.25 0.04 0.00 0.00 177.00 176.58 1tbu n THR 64 N 2.80 1.45 -3.58 1.26 -2.24 0.54 -4.85 114.28 109.67 1tbu n THR 64 Ca 0.11 -0.71 -0.11 0.00 -2.27 0.00 0.00 64.05 61.07 1tbu n THR 64 Cb 0.37 -0.97 -0.04 0.00 -2.10 0.00 0.00 70.33 67.59 1tbu n THR 64 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1tbu s SER 65 N -6.04 -0.35 -0.10 3.42 1.04 -1.19 -5.02 113.70 105.46 1tbu s SER 65 Ca -0.22 -0.24 -0.10 0.00 0.48 0.00 0.00 55.95 55.87 1tbu s SER 65 Cb 0.08 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.75 1tbu s SER 65 CO 0.72 -0.92 0.29 -0.22 0.98 0.00 0.00 173.24 174.08 1tbu s LEU 66 N -2.80 0.91 -0.16 2.42 0.20 -1.26 -0.57 118.68 117.43 1tbu s LEU 66 Ca 0.03 0.53 -0.04 0.00 0.69 0.00 0.00 54.13 55.35 1tbu s LEU 66 Cb 0.00 1.00 0.05 0.00 -0.43 0.00 0.00 46.19 46.82 1tbu s LEU 66 CO -0.11 -0.13 0.06 -1.00 -0.29 0.00 0.00 176.35 174.89 1tbu s HIS 67 N 0.03 0.49 -0.06 5.38 3.76 0.23 -4.99 115.29 120.14 1tbu s HIS 67 Ca -0.01 -0.42 0.04 0.00 -0.15 0.00 0.00 55.06 54.52 1tbu s HIS 67 Cb -0.02 -0.79 -0.02 0.00 1.11 0.00 0.00 32.58 32.86 1tbu s HIS 67 CO 0.01 -0.50 -0.18 -1.12 -0.85 0.00 0.00 174.74 172.09 1tbu s SER 68 N 2.04 3.67 -0.20 1.40 0.01 -1.26 -0.76 113.70 118.61 1tbu s SER 68 Ca 0.02 -0.32 -0.02 0.00 1.31 0.00 0.00 55.95 56.94 1tbu s SER 68 Cb -0.16 -0.86 0.00 0.00 0.21 0.00 0.00 66.02 65.22 1tbu s SER 68 CO -0.08 0.30 -0.11 -0.31 0.41 0.00 0.00 173.24 173.45 1tbu s TYR 69 N -0.46 2.87 -0.58 2.43 1.51 0.43 -5.00 117.35 118.56 1tbu s TYR 69 Ca 0.05 -1.16 -0.27 0.00 -1.01 0.00 0.00 57.07 54.69 1tbu s TYR 69 Cb -0.12 -2.01 0.03 0.00 -0.11 0.00 0.00 41.96 39.76 1tbu s TYR 69 CO 0.02 -0.61 1.11 -0.06 -1.11 0.00 0.00 175.55 174.90 1tbu s PHE 70 N 1.28 2.65 -0.21 2.71 0.40 -1.26 -2.40 117.98 121.16 1tbu s PHE 70 Ca 0.03 0.24 -0.11 0.00 -0.60 0.00 0.00 56.93 56.50 1tbu s PHE 70 Cb -0.14 -4.38 -0.19 0.00 0.51 0.00 0.00 43.02 38.82 1tbu s PHE 70 CO -0.06 -1.54 0.06 -0.89 0.70 0.00 0.00 175.22 173.50 1tbu n ILE 71 N 6.49 1.60 -3.66 0.64 2.08 -0.70 -4.99 119.36 120.82 1tbu n ILE 71 Ca 0.06 -0.41 -0.15 0.00 0.56 0.00 0.00 62.75 62.82 1tbu n ILE 71 Cb 0.48 -1.79 -0.08 0.00 -0.75 0.00 0.00 39.64 37.51 1tbu n ILE 71 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1tbu s LYS 72 N -2.49 0.76 0.60 0.38 3.01 -0.81 -5.01 119.74 116.18 1tbu s LYS 72 Ca -0.30 0.34 -0.20 0.00 -1.01 0.00 0.00 55.97 54.81 1tbu s LYS 72 Cb 0.09 0.36 -0.03 0.00 -1.01 0.00 0.00 37.83 37.23 1tbu s LYS 72 CO 0.63 -0.18 1.31 0.20 0.51 0.00 0.00 175.35 177.83 1tbu s GLY 73 N -0.58 2.86 0.46 -3.33 0.00 -1.26 -4.71 107.32 100.76 1tbu s GLY 73 Ca -0.07 1.25 0.06 0.00 0.00 0.00 0.00 44.72 45.96 1tbu s GLY 73 CO 0.04 1.71 0.21 -0.32 0.00 0.00 0.00 173.10 174.75 1tbu s GLY 74 N -1.22 2.44 -0.10 0.20 0.00 -1.26 -5.03 107.32 102.35 1tbu s GLY 74 Ca 0.78 -1.67 -0.03 0.00 0.00 0.00 0.00 44.72 43.79 1tbu s GLY 74 CO 0.42 -1.95 0.02 0.51 0.00 0.00 0.00 173.10 172.10 1tbu s ASP 75 N -3.99 5.40 0.28 1.64 3.84 -1.26 -5.00 116.67 117.58 1tbu s ASP 75 Ca 0.35 0.18 0.19 0.00 -0.00 0.00 0.00 52.55 53.26 1tbu s ASP 75 Cb 0.02 -1.60 0.10 0.00 -1.38 0.00 0.00 42.92 40.06 1tbu s ASP 75 CO 0.20 0.36 1.33 1.55 -0.00 0.00 0.00 175.17 178.61 1tbu h PRO 76 N 5.28 0.00 -0.86 2.11 0.13 -2.00 -3.05 132.00 133.61 1tbu h PRO 76 Ca -0.50 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.79 1tbu h PRO 76 Cb 1.20 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.11 1tbu h PRO 76 CO 0.56 0.24 0.01 1.03 -0.23 0.00 0.00 178.00 179.61 1tbu s ARG 77 N -3.09 0.36 -0.01 0.86 0.52 -1.26 -4.78 118.95 111.56 1tbu s ARG 77 Ca 0.03 0.74 0.05 0.00 -0.52 0.00 0.00 55.73 56.03 1tbu s ARG 77 Cb 0.07 0.43 -0.01 0.00 0.52 0.00 0.00 34.95 35.96 1tbu s ARG 77 CO 0.74 -0.30 -0.16 0.99 0.02 0.00 0.00 175.30 176.59 1tbu s THR 78 N 2.79 1.26 0.60 0.02 2.01 -1.15 -5.17 115.64 116.00 1tbu s THR 78 Ca 0.05 -0.71 -0.18 0.00 0.31 0.00 0.00 61.69 61.15 1tbu s THR 78 Cb -0.11 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 1tbu s THR 78 CO -0.16 0.33 1.18 -0.54 -0.69 0.00 0.00 174.62 174.74 1tbu s LYS 79 N -0.44 2.95 -0.12 4.92 1.02 -1.26 -4.89 119.74 121.92 1tbu s LYS 79 Ca 0.06 1.74 -0.03 0.00 0.02 0.00 0.00 55.97 57.76 1tbu s LYS 79 Cb -0.06 -1.94 -0.03 0.00 -0.52 0.00 0.00 37.83 35.28 1tbu s LYS 79 CO -0.00 -1.20 -0.03 0.42 -0.92 0.00 0.00 175.35 173.62 1tbu s ILE 80 N -1.74 4.02 -0.22 2.17 1.01 -1.26 -4.66 121.20 120.53 1tbu s ILE 80 Ca 0.75 -0.33 -0.06 0.00 0.00 0.00 0.00 60.65 61.02 1tbu s ILE 80 Cb -0.28 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 1tbu s ILE 80 CO 0.34 0.54 0.02 -0.89 0.00 0.00 0.00 174.94 174.94 1tbu s THR 81 N -0.20 4.00 -0.22 2.92 2.01 -0.81 -1.06 115.64 122.28 1tbu s THR 81 Ca 0.04 -0.29 -0.06 0.00 0.31 0.00 0.00 61.69 61.69 1tbu s THR 81 Cb -0.13 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 1tbu s THR 81 CO 0.02 0.40 0.03 -0.31 -0.69 0.00 0.00 174.62 174.08 1tbu s TYR 82 N 1.20 3.07 -0.15 4.92 1.51 0.81 -0.82 117.35 127.89 1tbu s TYR 82 Ca 0.03 -0.44 -0.04 0.00 -1.01 0.00 0.00 57.07 55.61 1tbu s TYR 82 Cb -0.14 -2.15 -0.03 0.00 -0.11 0.00 0.00 41.96 39.53 1tbu s TYR 82 CO 0.02 -0.28 -0.02 -1.01 -1.11 0.00 0.00 175.55 173.15 1tbu s HIS 83 N 1.24 3.07 -0.25 2.71 3.76 -0.60 -1.16 115.29 124.07 1tbu s HIS 83 Ca 0.04 -0.17 -0.05 0.00 -0.15 0.00 0.00 55.06 54.72 1tbu s HIS 83 Cb -0.15 -1.95 -0.01 0.00 1.11 0.00 0.00 32.58 31.58 1tbu s HIS 83 CO 0.02 0.06 0.02 0.08 -0.85 0.00 0.00 174.74 174.07 1tbu s VAL 84 N 0.20 3.77 0.15 -0.90 1.01 -0.47 -0.88 120.40 123.28 1tbu s VAL 84 Ca -0.01 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 61.59 1tbu s VAL 84 Cb -0.13 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1tbu s VAL 84 CO 0.02 0.30 -0.11 -1.10 0.00 0.00 0.00 175.10 174.22 1tbu s GLN 85 N 1.52 2.04 -0.01 2.72 -0.21 0.22 -4.86 119.66 121.08 1tbu s GLN 85 Ca 0.05 -1.17 -0.18 0.00 0.02 0.00 0.00 55.36 54.07 1tbu s GLN 85 Cb -0.15 -2.20 -0.05 0.00 1.00 0.00 0.00 33.01 31.60 1tbu s GLN 85 CO 0.00 0.47 0.52 1.21 -2.12 0.00 0.00 175.29 175.37 1tbu s ASN 86 N -2.52 6.89 -0.15 5.90 3.84 -1.26 -1.48 114.94 126.15 1tbu s ASN 86 Ca 0.23 1.06 0.07 0.00 0.21 0.00 0.00 52.86 54.43 1tbu s ASN 86 Cb -0.10 -2.32 -0.14 0.00 -0.55 0.00 0.00 41.25 38.14 1tbu s ASN 86 CO 0.14 0.17 -0.05 0.18 -2.79 0.00 0.00 177.10 174.75 1tbu n LEU 87 N 2.52 1.42 0.00 3.21 4.77 -0.31 -4.92 117.00 123.69 1tbu n LEU 87 Ca -0.09 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1tbu n LEU 87 Cb 0.51 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1tbu n LEU 87 CO 0.42 0.55 0.00 -1.14 -1.33 0.00 0.00 177.39 175.88 1tbu n ARG 88 N -2.73 0.00 -2.67 3.23 0.63 -1.26 -5.06 116.66 108.80 1tbu n ARG 88 Ca -0.26 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.43 1tbu n ARG 88 Cb 0.88 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.82 1tbu n ARG 88 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1tbu s ASN 89 N 0.00 5.58 0.23 6.15 0.01 -1.26 -4.34 114.94 121.31 1tbu s ASN 89 Ca 0.00 0.39 0.01 0.00 -0.71 0.00 0.00 52.86 52.55 1tbu s ASN 89 Cb 0.00 -1.45 -0.04 0.00 0.41 0.00 0.00 41.25 40.17 1tbu s ASN 89 CO 0.00 -0.97 0.13 -0.83 -1.51 0.00 0.00 177.10 173.92 1tbu s GLY 90 N -4.30 1.64 0.00 0.66 0.00 -1.13 -5.04 107.32 99.15 1tbu s GLY 90 Ca 0.53 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 43.47 1tbu s GLY 90 CO 0.41 -1.48 0.00 -0.96 0.00 0.00 0.00 173.10 171.07 1tbu n ARG 91 N -0.38 0.00 -0.02 2.90 1.85 -1.26 -2.74 116.66 117.01 1tbu n ARG 91 Ca 0.02 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.89 1tbu n ARG 91 Cb 0.66 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 32.10 1tbu n ARG 91 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1tbu n ASN 92 N 0.00 2.04 -3.97 2.89 3.02 -1.26 -5.03 115.26 112.95 1tbu n ASN 92 Ca 0.00 -2.27 -0.08 0.00 -0.03 0.00 0.00 54.58 52.20 1tbu n ASN 92 Cb 0.00 -0.11 -0.09 0.00 -0.61 0.00 0.00 39.78 38.96 1tbu n ASN 92 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1tbu s PHE 93 N -1.47 0.31 -0.09 3.10 -0.12 -1.11 -3.45 117.98 115.16 1tbu s PHE 93 Ca 0.08 -0.73 0.03 0.00 -0.05 0.00 0.00 56.93 56.26 1tbu s PHE 93 Cb 0.07 -0.22 0.01 0.00 -0.63 0.00 0.00 43.02 42.25 1tbu s PHE 93 CO 0.01 -0.40 -0.18 0.42 -0.05 0.00 0.00 175.22 175.02 1tbu s ILE 94 N -3.29 1.59 -0.36 -4.49 1.01 -0.61 -2.82 121.20 112.22 1tbu s ILE 94 Ca 0.01 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 59.83 1tbu s ILE 94 Cb 0.03 -1.41 0.03 0.00 0.01 0.00 0.00 42.46 41.12 1tbu s ILE 94 CO -0.08 0.46 0.17 -2.28 0.00 0.00 0.00 174.94 173.21 1tbu s HIS 95 N 0.63 3.24 -0.05 3.97 5.65 -1.26 -0.78 115.29 126.69 1tbu s HIS 95 Ca -0.14 -1.10 -0.04 0.00 0.25 0.00 0.00 55.06 54.03 1tbu s HIS 95 Cb -0.16 -2.38 -0.04 0.00 -1.18 0.00 0.00 32.58 28.81 1tbu s HIS 95 CO 0.04 -0.67 0.16 0.15 -0.65 0.00 0.00 174.74 173.77 1tbu s LYS 96 N 1.51 3.40 -0.14 2.88 -0.14 -0.07 -1.17 119.74 126.01 1tbu s LYS 96 Ca 0.01 -0.26 -0.03 0.00 -1.36 0.00 0.00 55.97 54.33 1tbu s LYS 96 Cb -0.19 -3.11 -0.03 0.00 -1.68 0.00 0.00 37.83 32.82 1tbu s LYS 96 CO 0.05 0.71 -0.05 -1.14 -0.76 0.00 0.00 175.35 174.17 1tbu s GLN 97 N -1.56 3.55 -0.17 1.68 0.74 -0.55 -0.91 119.66 122.45 1tbu s GLN 97 Ca 0.22 -0.54 0.01 0.00 0.05 0.00 0.00 55.36 55.10 1tbu s GLN 97 Cb -0.12 -2.85 0.02 0.00 1.10 0.00 0.00 33.01 31.16 1tbu s GLN 97 CO 0.12 0.28 -0.19 0.08 -0.55 0.00 0.00 175.29 175.04 1tbu s VAL 98 N 0.24 1.92 0.00 1.34 1.01 -0.12 -0.61 120.40 124.18 1tbu s VAL 98 Ca -0.03 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.14 1tbu s VAL 98 Cb -0.14 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1tbu s VAL 98 CO 0.03 0.52 -0.17 -0.94 0.00 0.00 0.00 175.10 174.54 1tbu s SER 99 N 1.29 3.84 -0.05 3.32 1.04 -0.06 -1.12 113.70 121.96 1tbu s SER 99 Ca 0.04 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.16 1tbu s SER 99 Cb -0.13 -0.69 -0.03 0.00 0.10 0.00 0.00 66.02 65.28 1tbu s SER 99 CO -0.11 0.30 -0.13 0.00 0.98 0.00 0.00 173.24 174.27 1tbu s ALA 100 N -0.82 2.71 -0.00 5.32 0.00 0.95 -1.55 121.76 128.36 1tbu s ALA 100 Ca 0.13 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.16 1tbu s ALA 100 Cb -0.10 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 1tbu s ALA 100 CO 0.03 0.55 -0.10 0.71 0.00 0.00 0.00 175.76 176.95 1tbu s TYR 101 N -0.71 0.90 -0.07 0.00 1.51 0.00 -0.81 117.35 118.16 1tbu s TYR 101 Ca 0.11 -0.19 0.02 0.00 -1.01 0.00 0.00 57.07 56.00 1tbu s TYR 101 Cb -0.11 -0.57 0.01 0.00 -0.11 0.00 0.00 41.96 41.18 1tbu s TYR 101 CO 0.01 -0.01 -0.14 -0.65 -1.11 0.00 0.00 175.55 173.65 1tbu s GLN 102 N -0.36 1.90 -1.07 -0.62 -0.21 -0.65 -1.93 119.66 116.73 1tbu s GLN 102 Ca 0.03 -0.48 -0.05 0.00 0.02 0.00 0.00 55.36 54.89 1tbu s GLN 102 Cb -0.04 -1.55 0.01 0.00 1.00 0.00 0.00 33.01 32.42 1tbu s GLN 102 CO -0.00 0.04 0.60 0.72 -2.12 0.00 0.00 175.29 174.53 1tbu n HIS 103 N 3.80 -1.67 -1.08 0.91 8.25 -1.26 -0.96 115.22 123.20 1tbu n HIS 103 Ca -0.22 0.51 -0.03 0.00 -0.26 0.00 0.00 57.72 57.72 1tbu n HIS 103 Cb 0.52 -3.68 -0.01 0.00 1.12 0.00 0.00 29.99 27.94 1tbu n HIS 103 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1tbu n ASP 104 N -1.48 -5.84 -4.57 0.41 9.92 -1.26 -4.97 116.55 108.76 1tbu n ASP 104 Ca -0.05 0.07 -0.34 0.00 -0.53 0.00 0.00 54.79 53.94 1tbu n ASP 104 Cb 0.57 -3.59 -0.11 0.00 -0.64 0.00 0.00 41.12 37.35 1tbu n ASP 104 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1tbu s LYS 105 N -2.19 3.48 -0.04 -1.24 -0.14 -0.14 -5.07 119.74 114.39 1tbu s LYS 105 Ca 0.00 -0.47 -0.30 0.00 -1.36 0.00 0.00 55.97 53.84 1tbu s LYS 105 Cb 0.00 -2.90 -0.06 0.00 -1.68 0.00 0.00 37.83 33.18 1tbu s LYS 105 CO 0.00 0.39 1.78 -1.17 -0.76 0.00 0.00 175.35 175.59 1tbu s LEU 106 N -0.04 4.29 -0.19 3.17 2.96 -1.26 -1.63 118.68 125.98 1tbu s LEU 106 Ca 0.02 2.33 0.05 0.00 -0.22 0.00 0.00 54.13 56.31 1tbu s LEU 106 Cb -0.13 -3.53 -0.22 0.00 0.50 0.00 0.00 46.19 42.81 1tbu s LEU 106 CO 0.02 -1.03 0.07 -0.38 -1.32 0.00 0.00 176.35 173.70 1tbu n ILE 107 N 5.66 1.54 -3.61 6.68 2.08 0.01 -4.47 119.36 127.25 1tbu n ILE 107 Ca 0.19 -0.68 -0.11 0.00 0.56 0.00 0.00 62.75 62.71 1tbu n ILE 107 Cb 0.42 -1.21 -0.06 0.00 -0.75 0.00 0.00 39.64 38.04 1tbu n ILE 107 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 1tbu s PHE 108 N -2.53 -0.49 0.00 1.39 5.36 -1.19 -1.73 117.98 118.80 1tbu s PHE 108 Ca -0.23 1.07 -0.03 0.00 -0.96 0.00 0.00 56.93 56.79 1tbu s PHE 108 Cb 0.08 0.38 -0.01 0.00 -0.34 0.00 0.00 43.02 43.13 1tbu s PHE 108 CO 0.72 -0.30 0.04 0.95 -1.46 0.00 0.00 175.22 175.17 1tbu s THR 109 N -0.24 0.08 0.03 0.12 -4.23 -1.01 -0.03 115.64 110.36 1tbu s THR 109 Ca 0.00 -0.65 0.05 0.00 -1.18 0.00 0.00 61.69 59.92 1tbu s THR 109 Cb -0.03 -0.28 -0.02 0.00 1.34 0.00 0.00 72.50 73.50 1tbu s THR 109 CO -0.02 -0.36 -0.15 -0.44 -0.54 0.00 0.00 174.62 173.11 1tbu s SER 110 N -1.12 1.77 -0.23 3.99 0.01 -0.27 -0.42 113.70 117.43 1tbu s SER 110 Ca -0.12 -0.44 -0.08 0.00 1.31 0.00 0.00 55.95 56.62 1tbu s SER 110 Cb -0.07 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 1tbu s SER 110 CO 0.00 0.07 0.08 -0.04 0.41 0.00 0.00 173.24 173.76 1tbu s MET 111 N -1.03 3.80 -0.10 12.44 -1.94 0.07 -0.94 119.30 131.59 1tbu s MET 111 Ca 0.03 -0.41 0.04 0.00 -1.71 0.00 0.00 55.69 53.63 1tbu s MET 111 Cb -0.08 -3.32 -0.00 0.00 2.01 0.00 0.00 34.83 33.44 1tbu s MET 111 CO 0.01 -0.03 -0.24 0.42 -0.01 0.00 0.00 175.02 175.17 1tbu s ILE 112 N 1.21 2.07 -0.07 2.53 1.01 -0.09 -0.60 121.20 127.26 1tbu s ILE 112 Ca 0.05 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 1tbu s ILE 112 Cb -0.14 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 1tbu s ILE 112 CO 0.04 0.56 -0.02 -0.76 0.00 0.00 0.00 174.94 174.76 1tbu s LEU 113 N 0.34 3.46 0.01 2.97 2.01 0.27 -0.89 118.68 126.84 1tbu s LEU 113 Ca -0.19 0.07 0.05 0.00 0.01 0.00 0.00 54.13 54.08 1tbu s LEU 113 Cb -0.18 -1.82 -0.02 0.00 0.01 0.00 0.00 46.19 44.19 1tbu s LEU 113 CO 0.09 0.36 -0.16 -0.36 1.01 0.00 0.00 176.35 177.29 1tbu s PHE 114 N -0.90 1.40 0.14 0.29 0.40 0.04 -0.34 117.98 119.01 1tbu s PHE 114 Ca 0.14 -0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.21 1tbu s PHE 114 Cb -0.11 -0.88 -0.04 0.00 0.51 0.00 0.00 43.02 42.50 1tbu s PHE 114 CO 0.03 0.01 -0.10 0.00 0.70 0.00 0.00 175.22 175.87 1tbu s ALA 115 N -0.55 1.36 0.25 5.36 0.00 -0.45 -1.58 121.76 126.15 1tbu s ALA 115 Ca 0.05 -1.44 -0.05 0.00 0.00 0.00 0.00 51.96 50.51 1tbu s ALA 115 Cb -0.07 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 1tbu s ALA 115 CO 0.00 -0.11 0.51 0.08 0.00 0.00 0.00 175.76 176.24 1tbu s VAL 116 N -3.27 5.05 -0.26 0.00 1.01 -1.22 -1.62 120.40 120.08 1tbu s VAL 116 Ca 0.15 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 62.05 1tbu s VAL 116 Cb 0.02 -3.70 -0.14 0.00 0.00 0.00 0.00 36.38 32.57 1tbu s VAL 116 CO -0.00 -0.21 -0.22 0.00 0.00 0.00 0.00 175.10 174.67 1tbu n GLN 117 N -0.62 0.59 -0.83 2.72 6.02 -1.22 -5.02 117.38 119.02 1tbu n GLN 117 Ca -0.02 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 1tbu n GLN 117 Cb 0.53 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 30.24 1tbu n GLN 117 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59