#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2x s VAL 3 N nan 4.82 -0.57 0.00 0.11 -1.26 -5.68 120.40 nan 1b2x s VAL 3 Ca nan 1.70 -0.22 0.00 -2.93 0.00 0.00 61.98 nan 1b2x s VAL 3 Cb nan -4.17 0.06 0.00 -1.53 0.00 0.00 36.38 nan 1b2x s VAL 3 CO nan -0.06 0.85 -0.63 -3.33 0.00 0.00 175.10 nan 1b2x s ILE 4 N 2.65 4.52 0.00 7.04 -1.09 -1.26 -4.75 121.20 128.31 1b2x s ILE 4 Ca 0.38 -0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 1b2x s ILE 4 Cb -0.16 -4.51 0.00 0.00 -1.58 0.00 0.00 42.46 36.21 1b2x s ILE 4 CO 0.09 -1.12 0.81 -0.46 -1.23 0.00 0.00 174.94 173.03 1b2x n ASN 5 N 7.13 0.00 -4.97 3.58 6.94 -1.26 -4.80 115.26 121.88 1b2x n ASN 5 Ca -0.02 -1.66 -0.21 0.00 -0.02 0.00 0.00 54.58 52.66 1b2x n ASN 5 Cb 0.46 -0.13 -0.01 0.00 -2.36 0.00 0.00 39.78 37.74 1b2x n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1b2x s THR 6 N 0.00 4.74 0.12 5.53 -4.23 -1.26 -0.38 115.64 120.15 1b2x s THR 6 Ca 0.00 -0.81 -0.21 0.00 -1.18 0.00 0.00 61.69 59.50 1b2x s THR 6 Cb 0.00 -3.69 -0.07 0.00 1.34 0.00 0.00 72.50 70.08 1b2x s THR 6 CO 0.00 -0.34 1.73 -0.26 -0.54 0.00 0.00 174.62 175.21 1b2x h PHE 7 N 0.90 0.00 -0.55 3.99 0.04 -1.99 0.13 116.94 119.47 1b2x h PHE 7 Ca -0.49 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.19 1b2x h PHE 7 Cb 1.24 0.02 -0.02 0.00 2.20 0.00 0.00 35.95 39.39 1b2x h PHE 7 CO 0.46 -0.01 -0.05 -0.44 -0.60 0.00 0.00 178.31 177.67 1b2x h ASP 8 N 0.06 1.00 -0.39 2.17 3.32 -1.98 -0.29 116.42 120.30 1b2x h ASP 8 Ca 0.07 -0.33 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 1b2x h ASP 8 Cb 0.08 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1b2x h ASP 8 CO -0.11 1.09 0.10 1.23 -1.72 0.00 0.00 179.24 179.82 1b2x h GLY 9 N 0.88 0.67 1.15 2.75 0.00 -1.88 -1.19 103.07 105.46 1b2x h GLY 9 Ca 0.15 -0.42 -0.20 0.00 0.00 0.00 0.00 47.33 46.86 1b2x h GLY 9 CO 0.04 0.39 -0.65 -2.08 0.00 0.00 0.00 176.54 174.24 1b2x h VAL 10 N 0.49 1.28 -0.65 4.60 2.07 -0.73 -1.82 116.25 121.49 1b2x h VAL 10 Ca 0.12 -1.83 0.04 0.00 0.82 0.00 0.00 66.70 65.85 1b2x h VAL 10 Cb 0.30 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 1b2x h VAL 10 CO 0.00 0.59 0.39 0.00 0.02 0.00 0.00 177.57 178.57 1b2x h ALA 11 N 0.61 0.86 -0.25 1.67 0.00 -1.04 -1.00 119.26 120.11 1b2x h ALA 11 Ca -0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1b2x h ALA 11 Cb 1.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1b2x h ALA 11 CO 0.14 0.13 -0.28 -0.44 0.00 0.00 0.00 179.25 178.80 1b2x h ASP 12 N 0.76 0.50 -0.17 0.00 3.32 -1.22 -2.62 116.42 117.00 1b2x h ASP 12 Ca 0.27 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1b2x h ASP 12 Cb 0.07 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1b2x h ASP 12 CO -0.13 0.77 0.02 0.22 -1.72 0.00 0.00 179.24 178.40 1b2x h TYR 13 N 0.43 0.30 -0.55 4.55 5.03 -1.01 -2.87 116.97 122.85 1b2x h TYR 13 Ca 0.06 -0.04 0.06 0.00 2.58 0.00 0.00 58.73 61.39 1b2x h TYR 13 Cb 0.71 -0.08 -0.06 0.00 1.55 0.00 0.00 36.73 38.86 1b2x h TYR 13 CO 0.02 0.46 0.24 -0.07 -1.32 0.00 0.00 178.16 177.49 1b2x h LEU 14 N 0.06 0.31 -0.59 2.82 3.38 -1.07 0.58 115.31 120.79 1b2x h LEU 14 Ca 0.05 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1b2x h LEU 14 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1b2x h LEU 14 CO 0.00 0.20 0.00 1.56 0.09 0.00 0.00 178.44 180.30 1b2x h GLN 15 N 0.46 0.00 0.00 1.13 4.20 -1.49 0.47 115.11 119.88 1b2x h GLN 15 Ca 0.26 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 58.54 1b2x h GLN 15 Cb 0.23 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.94 1b2x h GLN 15 CO -0.22 0.00 -2.50 2.41 -0.67 0.00 0.00 178.83 177.85 1b2x n THR 16 N -2.92 1.49 0.30 -0.54 -1.04 -1.09 -4.57 114.28 105.92 1b2x n THR 16 Ca 0.03 -0.46 0.11 0.00 -2.04 0.00 0.00 64.05 61.69 1b2x n THR 16 Cb 0.41 -1.67 -0.06 0.00 -1.82 0.00 0.00 70.33 67.18 1b2x n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1b2x n TYR 17 N -3.81 0.29 -3.59 -1.42 4.01 0.20 -5.00 117.16 107.84 1b2x n TYR 17 Ca -0.50 0.08 -0.23 0.00 -0.16 0.00 0.00 57.90 57.09 1b2x n TYR 17 Cb 0.93 -0.53 0.07 0.00 -0.31 0.00 0.00 39.34 39.50 1b2x n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1b2x n HIS 18 N -2.18 -2.60 -3.61 -0.72 8.25 0.17 -4.97 115.22 109.57 1b2x n HIS 18 Ca -0.00 0.98 -0.01 0.00 -0.26 0.00 0.00 57.72 58.42 1b2x n HIS 18 Cb 0.50 -4.91 -0.01 0.00 1.12 0.00 0.00 29.99 26.69 1b2x n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1b2x s LYS 19 N -6.08 0.27 0.58 -0.41 -2.85 -1.26 -5.04 119.74 104.96 1b2x s LYS 19 Ca 0.41 -0.12 -0.14 0.00 -1.00 0.00 0.00 55.97 55.11 1b2x s LYS 19 Cb -0.19 0.11 -0.05 0.00 -2.06 0.00 0.00 37.83 35.65 1b2x s LYS 19 CO 0.75 -0.12 1.02 -0.51 0.10 0.00 0.00 175.35 176.59 1b2x s LEU 20 N -2.48 3.43 0.96 2.77 1.43 -1.26 -4.03 118.68 119.50 1b2x s LEU 20 Ca 0.12 1.59 -0.12 0.00 -1.03 0.00 0.00 54.13 54.69 1b2x s LEU 20 Cb 0.02 -4.50 0.17 0.00 0.03 0.00 0.00 46.19 41.90 1b2x s LEU 20 CO -0.04 -0.91 1.09 -2.16 0.23 0.00 0.00 176.35 174.55 1b2x s PRO 21 N -4.48 0.72 0.48 1.29 0.04 -1.26 -4.90 135.00 126.89 1b2x s PRO 21 Ca 0.59 0.85 0.33 0.00 0.04 0.00 0.00 61.00 62.80 1b2x s PRO 21 Cb -0.12 -1.74 1.74 0.00 0.04 0.00 0.00 34.50 34.41 1b2x s PRO 21 CO 0.41 -2.62 2.00 0.38 0.04 0.00 0.00 177.00 177.22 1b2x h ASP 22 N -1.82 0.00 0.33 6.66 3.04 -1.96 -2.88 116.42 119.78 1b2x h ASP 22 Ca -0.52 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.27 1b2x h ASP 22 Cb 1.30 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.59 1b2x h ASP 22 CO 0.53 0.00 -0.02 -0.46 -2.04 0.00 0.00 179.24 177.25 1b2x n ASN 23 N -2.67 0.15 -4.82 4.15 6.94 -1.26 -4.86 115.26 112.90 1b2x n ASN 23 Ca -0.02 -0.54 -0.38 0.00 -0.02 0.00 0.00 54.58 53.62 1b2x n ASN 23 Cb 0.08 -0.14 -0.06 0.00 -2.36 0.00 0.00 39.78 37.29 1b2x n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1b2x s TYR 24 N -2.36 3.68 0.05 -2.53 2.02 -1.09 -1.33 117.35 115.79 1b2x s TYR 24 Ca 0.35 0.93 0.03 0.00 -0.37 0.00 0.00 57.07 58.00 1b2x s TYR 24 Cb 0.21 -2.31 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 1b2x s TYR 24 CO 0.43 0.56 -0.09 0.96 -1.57 0.00 0.00 175.55 175.85 1b2x s ILE 25 N -0.75 0.63 0.86 2.71 -4.36 -0.48 -4.90 121.20 114.92 1b2x s ILE 25 Ca 0.23 -1.17 -0.12 0.00 -0.26 0.00 0.00 60.65 59.34 1b2x s ILE 25 Cb -0.16 -0.74 0.11 0.00 1.25 0.00 0.00 42.46 42.91 1b2x s ILE 25 CO 0.12 -0.39 1.10 0.42 0.24 0.00 0.00 174.94 176.43 1b2x s THR 26 N -1.50 2.67 0.14 8.37 -4.23 -1.20 -0.54 115.64 119.34 1b2x s THR 26 Ca -0.07 0.22 -0.19 0.00 -1.18 0.00 0.00 61.69 60.46 1b2x s THR 26 Cb -0.09 -2.89 0.02 0.00 1.34 0.00 0.00 72.50 70.89 1b2x s THR 26 CO 0.00 -0.28 1.69 0.11 -0.54 0.00 0.00 174.62 175.60 1b2x h LYS 27 N -1.34 -0.02 -0.37 3.99 1.57 -1.95 0.14 116.57 118.59 1b2x h LYS 27 Ca -0.49 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.30 1b2x h LYS 27 Cb 1.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 1b2x h LYS 27 CO 0.59 -0.01 0.23 1.03 -0.57 0.00 0.00 179.45 180.72 1b2x h SER 28 N -0.02 0.39 -0.49 0.86 0.87 -1.99 0.11 113.55 113.29 1b2x h SER 28 Ca 0.13 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1b2x h SER 28 Cb 0.22 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1b2x h SER 28 CO -0.29 0.28 0.29 -0.33 -0.53 0.00 0.00 176.83 176.24 1b2x h GLU 29 N 0.47 0.67 -0.35 2.24 5.08 -1.85 -1.22 114.58 119.62 1b2x h GLU 29 Ca 0.14 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1b2x h GLU 29 Cb -0.02 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1b2x h GLU 29 CO -0.05 0.49 0.09 0.00 -1.00 0.00 0.00 179.01 178.55 1b2x h ALA 30 N 1.13 0.46 -0.52 3.43 0.00 -0.69 -2.08 119.26 121.00 1b2x h ALA 30 Ca 0.17 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1b2x h ALA 30 Cb 0.01 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.58 1b2x h ALA 30 CO -0.03 0.12 0.02 1.96 0.00 0.00 0.00 179.25 181.32 1b2x h GLN 31 N 0.42 0.13 -0.28 0.00 4.20 -0.62 0.27 115.11 119.23 1b2x h GLN 31 Ca 0.11 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1b2x h GLN 31 Cb 0.29 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1b2x h GLN 31 CO -0.00 0.09 0.06 0.00 -0.67 0.00 0.00 178.83 178.31 1b2x h ALA 32 N 1.46 1.60 0.00 3.87 0.00 -0.94 0.36 119.26 125.61 1b2x h ALA 32 Ca 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1b2x h ALA 32 Cb 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1b2x h ALA 32 CO -0.42 0.31 0.00 1.28 0.00 0.00 0.00 179.25 180.41 1b2x n LEU 33 N -4.38 0.67 0.00 0.00 4.77 -0.75 -4.86 117.00 112.45 1b2x n LEU 33 Ca 0.01 0.65 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1b2x n LEU 33 Cb 0.17 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1b2x n LEU 33 CO 0.37 -0.50 0.00 0.61 -1.33 0.00 0.00 177.39 176.53 1b2x n GLY 34 N 0.17 1.47 3.70 -0.72 0.00 0.11 -4.90 105.19 105.03 1b2x n GLY 34 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1b2x n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1b2x s TRP 35 N -2.00 2.96 -0.31 1.61 -0.00 0.01 -4.94 118.94 116.26 1b2x s TRP 35 Ca 0.00 0.84 0.02 0.00 -0.00 0.00 0.00 56.10 56.96 1b2x s TRP 35 Cb 0.00 -3.68 0.08 0.00 -0.00 0.00 0.00 33.47 29.87 1b2x s TRP 35 CO 0.00 -2.49 0.00 0.08 -0.00 0.00 0.00 176.95 174.54 1b2x s VAL 36 N 1.98 2.43 0.27 5.86 1.01 -1.26 -4.41 120.40 126.27 1b2x s VAL 36 Ca 0.65 -1.95 -0.00 0.00 0.00 0.00 0.00 61.98 60.67 1b2x s VAL 36 Cb -0.34 -2.60 0.27 0.00 0.00 0.00 0.00 36.38 33.71 1b2x s VAL 36 CO 0.28 -0.35 1.69 0.00 0.00 0.00 0.00 175.10 176.73 1b2x h ALA 37 N 7.76 1.22 0.00 5.51 0.00 -2.00 -0.70 119.26 131.05 1b2x h ALA 37 Ca -0.12 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1b2x h ALA 37 Cb 1.03 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1b2x h ALA 37 CO 0.52 -0.33 0.00 -1.13 0.00 0.00 0.00 179.25 178.31 1b2x n SER 38 N -5.09 0.00 0.00 0.00 3.41 -1.26 -1.85 113.62 108.83 1b2x n SER 38 Ca 0.19 0.17 0.11 0.00 -0.26 0.00 0.00 58.87 59.07 1b2x n SER 38 Cb 0.56 -0.34 -0.05 0.00 -0.26 0.00 0.00 64.21 64.12 1b2x n SER 38 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1b2x n LYS 39 N -1.34 0.13 -3.48 4.33 5.02 -0.29 -4.99 118.16 117.55 1b2x n LYS 39 Ca 0.07 -0.02 -0.24 0.00 -2.02 0.00 0.00 58.31 56.09 1b2x n LYS 39 Cb 0.14 -1.52 0.06 0.00 -0.02 0.00 0.00 35.03 33.70 1b2x n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b2x n GLY 40 N 1.45 -0.54 1.37 0.72 0.00 -0.77 -4.88 105.19 102.53 1b2x n GLY 40 Ca 0.03 0.22 0.08 0.00 0.00 0.00 0.00 46.02 46.35 1b2x n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b2x n ASN 41 N -2.88 4.76 -0.17 1.61 6.94 -1.26 -3.89 115.26 120.36 1b2x n ASN 41 Ca -0.02 -2.96 -0.01 0.00 -0.02 0.00 0.00 54.58 51.57 1b2x n ASN 41 Cb 0.57 -0.61 0.08 0.00 -2.36 0.00 0.00 39.78 37.47 1b2x n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1b2x h LEU 42 N 2.87 0.03 -1.67 -4.53 5.85 -1.88 -0.21 115.31 115.76 1b2x h LEU 42 Ca 0.00 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1b2x h LEU 42 Cb 1.69 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.84 1b2x h LEU 42 CO 0.35 0.04 -0.01 0.00 -0.34 0.00 0.00 178.44 178.47 1b2x h ALA 43 N 1.41 1.01 0.00 1.25 0.00 -1.84 -0.70 119.26 120.40 1b2x h ALA 43 Ca 0.27 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.92 1b2x h ALA 43 Cb 0.37 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1b2x h ALA 43 CO -0.34 0.01 -1.00 -0.44 0.00 0.00 0.00 179.25 177.47 1b2x h ASP 44 N 0.00 0.76 0.30 0.00 3.32 -1.39 -3.21 116.42 116.19 1b2x h ASP 44 Ca -0.00 -0.61 0.00 0.00 0.02 0.00 0.00 57.03 56.44 1b2x h ASP 44 Cb 0.45 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1b2x h ASP 44 CO 0.00 1.41 -1.06 1.33 -1.72 0.00 0.00 179.24 179.20 1b2x n VAL 45 N -3.81 0.10 -2.99 -1.35 0.24 -0.99 -4.59 118.33 104.95 1b2x n VAL 45 Ca -0.09 -0.19 -0.16 0.00 -2.04 0.00 0.00 64.34 61.86 1b2x n VAL 45 Cb 0.86 0.38 -0.01 0.00 -1.47 0.00 0.00 33.84 33.60 1b2x n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b2x n ALA 46 N -1.76 0.65 -1.64 2.33 0.00 -0.30 -4.89 120.51 114.90 1b2x n ALA 46 Ca 0.02 -2.47 -0.47 0.00 0.00 0.00 0.00 53.44 50.51 1b2x n ALA 46 Cb 0.41 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.77 1b2x n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1b2x n PRO 47 N 1.43 1.81 -0.67 0.00 -0.02 -1.21 -1.96 135.00 134.39 1b2x n PRO 47 Ca 0.15 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1b2x n PRO 47 Cb 0.58 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1b2x n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b2x n GLY 48 N 2.85 1.25 3.91 -1.23 0.00 -1.26 -5.01 105.19 105.69 1b2x n GLY 48 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1b2x n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b2x s LYS 49 N -0.14 3.53 0.18 1.61 -0.14 -0.83 -4.85 119.74 119.11 1b2x s LYS 49 Ca 0.00 -0.26 0.11 0.00 -1.36 0.00 0.00 55.97 54.46 1b2x s LYS 49 Cb 0.00 -2.95 -0.04 0.00 -1.68 0.00 0.00 37.83 33.16 1b2x s LYS 49 CO 0.00 0.54 -0.23 -1.12 -0.76 0.00 0.00 175.35 173.78 1b2x s SER 50 N -2.44 3.32 0.18 2.83 0.01 -0.44 -4.81 113.70 112.34 1b2x s SER 50 Ca 0.38 -0.86 -0.30 0.00 1.31 0.00 0.00 55.95 56.48 1b2x s SER 50 Cb -0.13 -0.24 -0.08 0.00 0.21 0.00 0.00 66.02 65.79 1b2x s SER 50 CO 0.26 0.10 1.24 -0.63 0.41 0.00 0.00 173.24 174.62 1b2x s ILE 51 N -1.67 3.49 0.00 1.44 -1.09 -1.26 -1.38 121.20 120.73 1b2x s ILE 51 Ca 0.19 1.22 0.00 0.00 -2.23 0.00 0.00 60.65 59.84 1b2x s ILE 51 Cb -0.08 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1b2x s ILE 51 CO 0.09 0.18 0.00 0.61 -1.23 0.00 0.00 174.94 174.59 1b2x n GLY 52 N 2.36 0.81 0.00 6.18 0.00 0.30 -0.47 105.19 114.36 1b2x n GLY 52 Ca 0.05 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1b2x n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b2x n GLY 53 N -0.05 0.95 3.80 -0.02 0.00 0.68 -3.27 105.19 107.28 1b2x n GLY 53 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1b2x n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b2x s ASP 54 N -1.98 6.31 0.19 1.61 1.01 -1.23 -4.74 116.67 117.84 1b2x s ASP 54 Ca 0.00 1.89 -0.30 0.00 0.71 0.00 0.00 52.55 54.85 1b2x s ASP 54 Cb 0.00 -2.55 -0.08 0.00 1.01 0.00 0.00 42.92 41.29 1b2x s ASP 54 CO 0.00 -0.80 1.22 -0.63 0.21 0.00 0.00 175.17 175.17 1b2x s ILE 55 N -2.07 3.48 -0.24 0.77 1.01 -1.26 -0.36 121.20 122.53 1b2x s ILE 55 Ca 0.66 1.25 -0.08 0.00 0.00 0.00 0.00 60.65 62.48 1b2x s ILE 55 Cb -0.16 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 1b2x s ILE 55 CO 0.22 0.20 0.09 0.12 0.00 0.00 0.00 174.94 175.57 1b2x s PHE 56 N -0.04 3.14 0.26 3.97 5.36 0.11 -4.82 117.98 125.96 1b2x s PHE 56 Ca 0.53 -0.22 -0.02 0.00 -0.96 0.00 0.00 56.93 56.26 1b2x s PHE 56 Cb -0.33 -2.22 0.35 0.00 -0.34 0.00 0.00 43.02 40.47 1b2x s PHE 56 CO 0.37 -0.21 1.80 0.77 -1.46 0.00 0.00 175.22 176.49 1b2x h SER 57 N 7.92 0.82 -6.17 6.13 0.02 -1.95 -3.38 113.55 116.94 1b2x h SER 57 Ca -0.37 -0.16 -0.45 0.00 -0.84 0.00 0.00 61.79 59.98 1b2x h SER 57 Cb 1.18 -0.22 0.02 0.00 0.14 0.00 0.00 62.40 63.52 1b2x h SER 57 CO 0.60 0.81 -0.78 -3.20 -1.14 0.00 0.00 176.83 173.13 1b2x n ASN 58 N -4.26 -3.66 -0.12 3.07 5.15 -1.26 -4.84 115.26 109.34 1b2x n ASN 58 Ca 0.04 -0.76 -0.06 0.00 -0.60 0.00 0.00 54.58 53.19 1b2x n ASN 58 Cb 0.24 -4.09 0.11 0.00 -0.53 0.00 0.00 39.78 35.51 1b2x n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1b2x h ARG 59 N -2.08 0.83 0.00 1.20 3.08 -1.99 -2.37 114.38 113.06 1b2x h ARG 59 Ca -0.59 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.19 1b2x h ARG 59 Cb 1.37 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1b2x h ARG 59 CO 0.62 0.88 0.00 0.39 -1.07 0.00 0.00 179.97 180.79 1b2x n GLU 60 N -4.17 0.06 -1.65 0.04 -0.58 -1.26 -4.91 120.64 108.17 1b2x n GLU 60 Ca 0.02 0.14 -0.13 0.00 -0.42 0.00 0.00 57.16 56.77 1b2x n GLU 60 Cb 0.35 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.68 1b2x n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1b2x n GLY 61 N 0.56 0.94 0.22 0.62 0.00 -0.89 -4.90 105.19 101.74 1b2x n GLY 61 Ca 0.06 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 1b2x n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b2x h LYS 62 N 0.00 0.73 -6.58 1.61 1.57 -1.91 -3.42 116.57 108.57 1b2x h LYS 62 Ca -0.29 -0.41 -0.52 0.00 -1.87 0.00 0.00 60.65 57.57 1b2x h LYS 62 Cb 0.98 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 1b2x h LYS 62 CO 0.39 1.03 0.09 -0.51 -0.57 0.00 0.00 179.45 179.89 1b2x s LEU 63 N -8.91 4.29 0.20 2.94 1.43 -1.26 -4.99 118.68 112.38 1b2x s LEU 63 Ca -0.12 1.37 -0.32 0.00 -1.03 0.00 0.00 54.13 54.02 1b2x s LEU 63 Cb 0.09 -3.66 -0.13 0.00 0.03 0.00 0.00 46.19 42.52 1b2x s LEU 63 CO 0.84 -0.01 1.68 -0.81 0.23 0.00 0.00 176.35 178.28 1b2x n PRO 64 N 0.52 2.60 -3.97 1.29 -0.04 -1.26 -5.01 135.00 129.13 1b2x n PRO 64 Ca -0.01 0.94 -0.24 0.00 -0.04 0.00 0.00 63.50 64.15 1b2x n PRO 64 Cb 0.51 -2.76 -0.03 0.00 -0.04 0.00 0.00 33.50 31.19 1b2x n PRO 64 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1b2x s GLY 65 N 1.06 1.51 -0.24 0.55 0.00 -1.26 -5.09 107.32 103.84 1b2x s GLY 65 Ca 0.75 -1.14 -0.26 0.00 0.00 0.00 0.00 44.72 44.07 1b2x s GLY 65 CO 0.35 -1.15 0.96 1.25 0.00 0.00 0.00 173.10 174.51 1b2x s LYS 66 N -3.54 0.60 0.22 2.90 2.20 -1.26 -5.07 119.74 115.79 1b2x s LYS 66 Ca 0.34 0.54 -0.31 0.00 -0.36 0.00 0.00 55.97 56.18 1b2x s LYS 66 Cb -0.10 0.29 -0.11 0.00 -1.51 0.00 0.00 37.83 36.40 1b2x s LYS 66 CO 0.28 -0.11 1.63 -1.12 -0.36 0.00 0.00 175.35 175.67 1b2x s SER 67 N -0.11 6.46 0.00 1.43 0.01 -1.26 -0.87 113.70 119.35 1b2x s SER 67 Ca 0.01 2.80 0.00 0.00 1.31 0.00 0.00 55.95 60.07 1b2x s SER 67 Cb -0.04 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1b2x s SER 67 CO -0.03 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.33 1b2x n GLY 68 N 3.37 1.58 3.69 3.44 0.00 -1.26 -5.01 105.19 111.01 1b2x n GLY 68 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1b2x n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1b2x s ARG 69 N -0.38 4.26 0.10 1.61 3.52 -0.05 -4.91 118.95 123.10 1b2x s ARG 69 Ca 0.00 0.39 0.09 0.00 -0.13 0.00 0.00 55.73 56.08 1b2x s ARG 69 Cb 0.00 -3.49 -0.04 0.00 -1.56 0.00 0.00 34.95 29.86 1b2x s ARG 69 CO 0.00 0.03 -0.23 0.95 -0.81 0.00 0.00 175.30 175.24 1b2x s THR 70 N 1.06 1.88 -0.01 4.11 -4.23 -1.26 -4.76 115.64 112.42 1b2x s THR 70 Ca 0.24 -1.57 0.06 0.00 -1.18 0.00 0.00 61.69 59.24 1b2x s THR 70 Cb -0.15 -1.68 -0.03 0.00 1.34 0.00 0.00 72.50 71.98 1b2x s THR 70 CO 0.09 0.02 -0.18 0.26 -0.54 0.00 0.00 174.62 174.27 1b2x s TRP 71 N -1.09 2.57 0.23 3.99 0.52 -1.26 -0.63 118.94 123.27 1b2x s TRP 71 Ca 0.09 -0.25 0.07 0.00 0.02 0.00 0.00 56.10 56.03 1b2x s TRP 71 Cb -0.10 -1.54 -0.05 0.00 -1.15 0.00 0.00 33.47 30.63 1b2x s TRP 71 CO 0.04 0.17 -0.11 1.03 0.02 0.00 0.00 176.95 178.10 1b2x s ARG 72 N -0.99 1.40 0.14 4.98 0.52 0.19 0.05 118.95 125.23 1b2x s ARG 72 Ca 0.12 -1.66 0.05 0.00 -0.52 0.00 0.00 55.73 53.73 1b2x s ARG 72 Cb -0.10 -1.12 -0.04 0.00 0.52 0.00 0.00 34.95 34.21 1b2x s ARG 72 CO 0.02 0.13 -0.12 -1.83 0.02 0.00 0.00 175.30 173.53 1b2x s GLU 73 N -3.68 1.04 -0.08 3.54 -1.05 0.52 -0.72 118.70 118.27 1b2x s GLU 73 Ca 0.25 -1.36 -0.13 0.00 -0.15 0.00 0.00 54.97 53.58 1b2x s GLU 73 Cb 0.01 -0.73 0.03 0.00 -0.44 0.00 0.00 34.13 33.00 1b2x s GLU 73 CO 0.09 0.11 0.33 0.00 0.95 0.00 0.00 175.26 176.73 1b2x s ALA 74 N -2.83 -0.81 0.30 -0.84 0.00 -0.34 -0.23 121.76 117.01 1b2x s ALA 74 Ca 0.13 0.70 -0.29 0.00 0.00 0.00 0.00 51.96 52.51 1b2x s ALA 74 Cb -0.01 -0.31 -0.09 0.00 0.00 0.00 0.00 23.12 22.71 1b2x s ALA 74 CO 0.02 -0.20 1.11 -0.51 0.00 0.00 0.00 175.76 176.18 1b2x s ASP 75 N -0.41 7.15 0.12 0.00 1.11 0.38 -0.55 116.67 124.47 1b2x s ASP 75 Ca -0.05 2.27 0.11 0.00 0.18 0.00 0.00 52.55 55.06 1b2x s ASP 75 Cb -0.04 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.29 1b2x s ASP 75 CO 0.02 -0.23 -0.25 -0.63 1.18 0.00 0.00 175.17 175.26 1b2x s ILE 76 N -1.22 2.36 -0.87 0.77 -1.09 -0.81 -4.69 121.20 115.65 1b2x s ILE 76 Ca 0.47 -1.70 0.00 0.00 -2.23 0.00 0.00 60.65 57.19 1b2x s ILE 76 Cb -0.31 -2.05 0.00 0.00 -1.58 0.00 0.00 42.46 38.52 1b2x s ILE 76 CO 0.40 0.11 0.00 0.59 -1.23 0.00 0.00 174.94 174.81 1b2x n ASN 77 N 0.93 -4.63 -4.77 3.58 3.02 0.48 -4.56 115.26 109.32 1b2x n ASN 77 Ca -0.18 0.20 -0.39 0.00 -0.03 0.00 0.00 54.58 54.19 1b2x n ASN 77 Cb 0.53 -2.86 -0.06 0.00 -0.61 0.00 0.00 39.78 36.79 1b2x n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1b2x s TYR 78 N -2.09 3.80 0.00 3.10 5.04 -1.26 -4.92 117.35 121.02 1b2x s TYR 78 Ca 0.00 1.46 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 1b2x s TYR 78 Cb 0.00 -2.72 0.00 0.00 0.35 0.00 0.00 41.96 39.59 1b2x s TYR 78 CO 0.00 0.42 0.00 2.41 -1.34 0.00 0.00 175.55 177.04 1b2x n THR 79 N 2.22 0.00 -3.54 4.34 -1.04 -1.26 -4.89 114.28 110.10 1b2x n THR 79 Ca -0.05 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.87 1b2x n THR 79 Cb 0.50 -0.19 -0.02 0.00 -1.82 0.00 0.00 70.33 68.80 1b2x n THR 79 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1b2x s SER 80 N -3.43 -0.37 0.00 8.00 1.04 -1.26 -4.74 113.70 112.94 1b2x s SER 80 Ca 0.00 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1b2x s SER 80 Cb 0.00 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1b2x s SER 80 CO 0.00 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.06 1b2x n GLY 81 N -0.32 -1.53 3.74 7.32 0.00 -1.25 -4.86 105.19 108.28 1b2x n GLY 81 Ca -0.10 -1.39 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 1b2x n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b2x s PHE 82 N 0.00 2.23 0.84 1.61 0.08 -1.25 -4.39 117.98 117.09 1b2x s PHE 82 Ca 0.00 1.59 -0.12 0.00 0.12 0.00 0.00 56.93 58.53 1b2x s PHE 82 Cb 0.00 -3.35 0.10 0.00 -0.57 0.00 0.00 43.02 39.20 1b2x s PHE 82 CO 0.00 -2.29 1.16 1.03 -0.10 0.00 0.00 175.22 175.02 1b2x s ARG 83 N -4.03 1.52 0.00 0.44 0.52 -1.26 -5.00 118.95 111.14 1b2x s ARG 83 Ca 0.71 1.57 0.00 0.00 -0.52 0.00 0.00 55.73 57.50 1b2x s ARG 83 Cb -0.26 -1.78 0.00 0.00 0.52 0.00 0.00 34.95 33.43 1b2x s ARG 83 CO 0.45 -2.27 0.00 0.27 0.02 0.00 0.00 175.30 173.77 1b2x n ASN 84 N -3.67 0.00 -1.28 0.23 0.23 -1.26 -5.03 115.26 104.47 1b2x n ASN 84 Ca 0.12 -0.40 0.11 0.00 -0.53 0.00 0.00 54.58 53.89 1b2x n ASN 84 Cb 0.52 0.00 0.31 0.00 -2.08 0.00 0.00 39.78 38.52 1b2x n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1b2x n SER 85 N -1.19 3.86 -4.69 0.53 3.41 -1.26 -4.97 113.62 109.31 1b2x n SER 85 Ca 0.00 -2.00 -0.36 0.00 -0.26 0.00 0.00 58.87 56.24 1b2x n SER 85 Cb 0.00 -0.46 -0.08 0.00 -0.26 0.00 0.00 64.21 63.40 1b2x n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1b2x s ASP 86 N -1.00 6.25 0.01 4.04 1.01 -1.26 -2.12 116.67 123.60 1b2x s ASP 86 Ca 0.46 0.27 -0.02 0.00 0.71 0.00 0.00 52.55 53.98 1b2x s ASP 86 Cb 0.24 -2.14 -0.01 0.00 1.01 0.00 0.00 42.92 42.02 1b2x s ASP 86 CO 0.31 0.07 0.01 -0.13 0.21 0.00 0.00 175.17 175.65 1b2x s ARG 87 N 0.86 0.34 -0.12 8.23 1.81 -0.35 -1.92 118.95 127.81 1b2x s ARG 87 Ca 0.11 -0.54 -0.02 0.00 -1.72 0.00 0.00 55.73 53.56 1b2x s ARG 87 Cb -0.13 0.13 -0.03 0.00 -0.45 0.00 0.00 34.95 34.47 1b2x s ARG 87 CO 0.04 -0.06 -0.03 -1.50 -0.68 0.00 0.00 175.30 173.06 1b2x s ILE 88 N -1.40 3.97 -0.17 1.52 2.07 0.28 -1.15 121.20 126.32 1b2x s ILE 88 Ca -0.15 -0.35 -0.03 0.00 -1.41 0.00 0.00 60.65 58.71 1b2x s ILE 88 Cb -0.09 -2.70 -0.02 0.00 0.13 0.00 0.00 42.46 39.78 1b2x s ILE 88 CO -0.00 0.54 -0.06 -0.76 -1.91 0.00 0.00 174.94 172.75 1b2x s LEU 89 N -0.18 3.02 -0.01 8.50 2.01 0.52 -1.20 118.68 131.34 1b2x s LEU 89 Ca 0.04 -0.26 0.02 0.00 0.01 0.00 0.00 54.13 53.93 1b2x s LEU 89 Cb -0.13 -1.73 -0.00 0.00 0.01 0.00 0.00 46.19 44.34 1b2x s LEU 89 CO 0.02 0.10 -0.07 -0.72 1.01 0.00 0.00 176.35 176.70 1b2x s TYR 90 N 0.76 0.68 0.48 0.29 1.13 0.10 -0.38 117.35 120.41 1b2x s TYR 90 Ca -0.02 -0.14 0.02 0.00 -1.41 0.00 0.00 57.07 55.52 1b2x s TYR 90 Cb -0.15 -0.47 0.01 0.00 -1.10 0.00 0.00 41.96 40.26 1b2x s TYR 90 CO 0.02 -0.04 0.69 -1.54 -2.51 0.00 0.00 175.55 172.16 1b2x s SER 91 N 0.03 5.57 0.59 -0.18 1.04 -0.39 -0.64 113.70 119.72 1b2x s SER 91 Ca 0.00 0.01 0.37 0.00 0.48 0.00 0.00 55.95 56.81 1b2x s SER 91 Cb -0.05 -1.09 1.85 0.00 0.10 0.00 0.00 66.02 66.83 1b2x s SER 91 CO -0.00 -0.88 2.18 0.77 0.98 0.00 0.00 173.24 176.28 1b2x h SER 92 N 0.33 0.00 -0.61 7.02 4.64 -1.22 0.70 113.55 124.41 1b2x h SER 92 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1b2x h SER 92 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1b2x h SER 92 CO 0.53 0.03 0.00 -0.90 -0.87 0.00 0.00 176.83 175.62 1b2x n ASP 93 N -3.25 5.39 -1.81 4.97 5.75 -1.26 -4.97 116.55 121.36 1b2x n ASP 93 Ca -0.02 -2.75 -0.13 0.00 -0.01 0.00 0.00 54.79 51.88 1b2x n ASP 93 Cb 0.18 -0.65 0.02 0.00 -1.03 0.00 0.00 41.12 39.65 1b2x n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1b2x n TRP 94 N 0.81 -1.12 -3.00 2.11 7.02 0.24 -5.03 117.44 118.47 1b2x n TRP 94 Ca 0.27 0.30 -0.36 0.00 -1.02 0.00 0.00 57.50 56.69 1b2x n TRP 94 Cb 1.09 -2.98 -0.06 0.00 -2.42 0.00 0.00 31.31 26.93 1b2x n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1b2x s LEU 95 N -3.98 4.34 -0.07 -0.99 1.43 -1.26 -4.84 118.68 113.31 1b2x s LEU 95 Ca 0.18 1.54 0.01 0.00 -1.03 0.00 0.00 54.13 54.83 1b2x s LEU 95 Cb -0.08 -3.72 0.02 0.00 0.03 0.00 0.00 46.19 42.44 1b2x s LEU 95 CO 0.22 -0.00 -0.07 -0.63 0.23 0.00 0.00 176.35 176.10 1b2x s ILE 96 N -1.56 0.78 0.22 -0.59 -1.09 -0.81 -1.27 121.20 116.88 1b2x s ILE 96 Ca 0.45 -0.23 0.09 0.00 -2.23 0.00 0.00 60.65 58.74 1b2x s ILE 96 Cb -0.17 -0.78 -0.05 0.00 -1.58 0.00 0.00 42.46 39.88 1b2x s ILE 96 CO 0.22 0.29 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.75 1b2x s TYR 97 N 1.10 1.86 0.13 3.97 1.51 0.49 -0.67 117.35 125.73 1b2x s TYR 97 Ca -0.08 -0.50 0.08 0.00 -1.01 0.00 0.00 57.07 55.56 1b2x s TYR 97 Cb -0.14 -0.85 -0.04 0.00 -0.11 0.00 0.00 41.96 40.82 1b2x s TYR 97 CO -0.01 0.44 -0.20 -1.59 -1.11 0.00 0.00 175.55 173.08 1b2x s LYS 98 N -3.53 1.20 0.02 -0.62 -2.85 0.97 -0.35 119.74 114.57 1b2x s LYS 98 Ca 0.24 -1.27 0.04 0.00 -1.00 0.00 0.00 55.97 53.98 1b2x s LYS 98 Cb -0.02 -1.39 -0.02 0.00 -2.06 0.00 0.00 37.83 34.34 1b2x s LYS 98 CO 0.09 0.31 -0.12 -0.08 0.10 0.00 0.00 175.35 175.64 1b2x s THR 99 N -1.50 0.98 -0.03 3.79 -1.32 -0.30 -1.40 115.64 115.86 1b2x s THR 99 Ca 0.10 -0.79 0.05 0.00 -1.21 0.00 0.00 61.69 59.85 1b2x s THR 99 Cb -0.08 -0.87 0.08 0.00 -1.51 0.00 0.00 72.50 70.11 1b2x s THR 99 CO 0.05 0.08 0.98 0.35 -2.21 0.00 0.00 174.62 173.88 1b2x n THR 100 N 2.25 1.07 -2.32 5.08 -2.24 -1.26 -1.21 114.28 115.65 1b2x n THR 100 Ca -0.16 -1.17 -0.07 0.00 -2.27 0.00 0.00 64.05 60.37 1b2x n THR 100 Cb 0.55 0.36 0.06 0.00 -2.10 0.00 0.00 70.33 69.20 1b2x n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1b2x n ASP 101 N -0.67 2.72 -3.51 3.42 5.75 -1.21 -4.59 116.55 118.47 1b2x n ASP 101 Ca 0.04 -2.91 -0.25 0.00 -0.01 0.00 0.00 54.79 51.67 1b2x n ASP 101 Cb 0.41 -0.41 0.05 0.00 -1.03 0.00 0.00 41.12 40.14 1b2x n ASP 101 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1b2x n HIS 102 N -0.56 -2.14 -1.23 2.11 8.25 -0.90 -2.87 115.22 117.88 1b2x n HIS 102 Ca 0.22 0.62 -0.08 0.00 -0.26 0.00 0.00 57.72 58.22 1b2x n HIS 102 Cb 0.89 -3.71 -0.03 0.00 1.12 0.00 0.00 29.99 28.27 1b2x n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1b2x n TYR 103 N -3.77 0.00 -0.03 4.41 4.01 -1.26 -4.87 117.16 115.65 1b2x n TYR 103 Ca -0.08 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.51 1b2x n TYR 103 Cb 0.60 -2.22 -0.10 0.00 -0.31 0.00 0.00 39.34 37.31 1b2x n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1b2x h GLN 104 N 0.10 0.17 -4.45 -0.72 4.20 -1.94 -3.46 115.11 109.01 1b2x h GLN 104 Ca -0.16 -0.15 -0.24 0.00 0.06 0.00 0.00 58.65 58.16 1b2x h GLN 104 Cb 0.95 0.03 -0.20 0.00 0.30 0.00 0.00 27.48 28.56 1b2x h GLN 104 CO 0.23 0.81 -0.72 0.95 -0.67 0.00 0.00 178.83 179.43 1b2x s THR 105 N -3.53 0.46 0.06 -0.54 -4.23 -1.26 -5.10 115.64 101.50 1b2x s THR 105 Ca -0.16 -1.17 0.05 0.00 -1.18 0.00 0.00 61.69 59.23 1b2x s THR 105 Cb 0.02 -0.69 -0.03 0.00 1.34 0.00 0.00 72.50 73.14 1b2x s THR 105 CO 0.73 -0.48 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.83 1b2x s PHE 106 N -1.74 1.17 0.02 3.99 0.08 -1.26 -4.44 117.98 115.80 1b2x s PHE 106 Ca -0.08 -0.42 0.04 0.00 0.12 0.00 0.00 56.93 56.58 1b2x s PHE 106 Cb -0.08 -0.67 -0.02 0.00 -0.57 0.00 0.00 43.02 41.68 1b2x s PHE 106 CO -0.01 0.04 -0.12 0.95 -0.10 0.00 0.00 175.22 175.99 1b2x s THR 107 N -1.13 0.91 0.34 0.64 -4.23 -0.49 -4.94 115.64 106.74 1b2x s THR 107 Ca -0.01 -0.78 -0.28 0.00 -1.18 0.00 0.00 61.69 59.44 1b2x s THR 107 Cb -0.09 -0.82 -0.10 0.00 1.34 0.00 0.00 72.50 72.83 1b2x s THR 107 CO 0.02 0.04 1.21 -0.75 -0.54 0.00 0.00 174.62 174.60 1b2x s LYS 108 N -0.83 4.34 0.00 3.99 2.20 -1.26 -0.02 119.74 128.16 1b2x s LYS 108 Ca 0.01 2.00 0.00 0.00 -0.36 0.00 0.00 55.97 57.62 1b2x s LYS 108 Cb -0.06 -2.99 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 1b2x s LYS 108 CO 0.01 -0.12 0.00 0.44 -0.36 0.00 0.00 175.35 175.31 1b2x n ILE 109 N 0.69 0.00 -1.72 5.43 -5.35 0.15 -4.84 119.36 113.72 1b2x n ILE 109 Ca 0.01 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 1b2x n ILE 109 Cb 0.44 0.90 0.00 0.00 -1.74 0.00 0.00 39.64 39.23 1b2x n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33