#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d9y h TRP 2 N 0.00 0.64 -0.42 7.33 4.06 -2.02 -2.50 115.95 123.05 3d9y h TRP 2 Ca 0.00 -0.09 0.01 0.00 2.06 0.00 0.00 58.89 60.87 3d9y h TRP 2 Cb 0.00 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 27.97 3d9y h TRP 2 CO 0.00 0.66 0.28 0.37 -3.56 0.00 0.00 178.44 176.19 3d9y h GLN 3 N 0.56 0.53 -0.20 0.49 5.75 -1.95 -1.88 115.11 118.41 3d9y h GLN 3 Ca 0.11 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.50 3d9y h GLN 3 Cb 0.47 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 3d9y h GLN 3 CO 0.02 0.35 -0.20 0.00 -2.65 0.00 0.00 178.83 176.36 3d9y h ALA 4 N 1.74 1.30 -0.79 3.38 0.00 -1.87 -0.05 119.26 122.97 3d9y h ALA 4 Ca 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3d9y h ALA 4 Cb -0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3d9y h ALA 4 CO -0.03 0.47 0.40 1.88 0.00 0.00 0.00 179.25 181.96 3d9y h TYR 5 N 0.31 1.12 0.20 0.00 0.05 -1.30 0.05 116.97 117.39 3d9y h TYR 5 Ca 0.05 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 3d9y h TYR 5 Cb 0.53 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 37.93 3d9y h TYR 5 CO 0.01 0.80 -0.09 0.28 -1.05 0.00 0.00 178.16 178.11 3d9y h VAL 6 N 1.11 0.89 0.03 -2.88 2.07 -1.19 -2.24 116.25 114.04 3d9y h VAL 6 Ca 0.27 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 3d9y h VAL 6 Cb 0.09 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3d9y h VAL 6 CO -0.04 0.17 -0.01 0.44 0.02 0.00 0.00 177.57 178.15 3d9y h ASP 7 N -0.67 -0.03 0.00 0.57 3.32 -1.03 -0.13 116.42 118.45 3d9y h ASP 7 Ca -0.03 -0.63 -0.08 0.00 0.02 0.00 0.00 57.03 56.32 3d9y h ASP 7 Cb 0.48 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3d9y h ASP 7 CO 0.04 0.64 -0.45 0.74 -1.72 0.00 0.00 179.24 178.49 3d9y h THR 8 N -0.72 1.33 0.02 0.35 2.02 -1.16 0.26 112.91 115.02 3d9y h THR 8 Ca -0.00 -2.17 -0.21 0.00 0.77 0.00 0.00 66.41 64.80 3d9y h THR 8 Cb 0.66 2.69 -0.02 0.00 -1.74 0.00 0.00 68.15 69.74 3d9y h THR 8 CO 0.01 0.45 -0.97 0.28 0.37 0.00 0.00 175.52 175.66 3d9y h SER 9 N -1.00 0.18 0.00 4.18 0.02 -1.31 -3.09 113.55 112.53 3d9y h SER 9 Ca -0.12 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3d9y h SER 9 Cb 1.03 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.51 3d9y h SER 9 CO -0.07 1.04 -0.39 0.18 -1.14 0.00 0.00 176.83 176.45 3d9y n LEU 10 N -3.54 0.90 -0.05 5.07 4.77 -0.87 -4.50 117.00 118.78 3d9y n LEU 10 Ca -0.03 0.15 0.07 0.00 -0.03 0.00 0.00 56.01 56.16 3d9y n LEU 10 Cb 0.88 -0.52 0.44 0.00 -2.33 0.00 0.00 43.42 41.89 3d9y n LEU 10 CO 0.48 -0.44 1.18 -0.07 -1.33 0.00 0.00 177.39 177.21 3d9y h LEU 11 N -0.39 0.47 -1.20 2.23 3.38 -1.07 -2.53 115.31 116.20 3d9y h LEU 11 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d9y h LEU 11 Cb 0.39 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3d9y h LEU 11 CO 0.00 0.32 0.00 1.23 0.09 0.00 0.00 178.44 180.08 3d9y h GLY 12 N 0.54 0.00 2.00 0.83 0.00 -0.85 -2.34 103.07 103.26 3d9y h GLY 12 Ca 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.49 3d9y h GLY 12 CO -0.06 0.00 -0.25 -0.91 0.00 0.00 0.00 176.54 175.33 3d9y h THR 13 N 0.00 0.56 0.00 4.70 1.35 -1.61 -3.47 112.91 114.43 3d9y h THR 13 Ca 0.00 -1.24 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 3d9y h THR 13 Cb 0.20 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 3d9y h THR 13 CO 0.00 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.12 3d9y n GLY 14 N 0.31 1.04 0.00 5.82 0.00 -0.88 -4.86 105.19 106.62 3d9y n GLY 14 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 3d9y n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d9y n LYS 15 N -2.00 0.85 -4.04 1.61 4.76 -1.26 -4.92 118.16 113.16 3d9y n LYS 15 Ca 0.00 -0.10 -0.30 0.00 -2.87 0.00 0.00 58.31 55.04 3d9y n LYS 15 Cb 0.00 -1.28 -0.16 0.00 -1.84 0.00 0.00 35.03 31.75 3d9y n LYS 15 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3d9y s ILE 16 N -2.79 1.64 -0.20 -0.18 1.01 -1.26 -4.45 121.20 114.97 3d9y s ILE 16 Ca -0.03 -0.68 0.22 0.00 0.00 0.00 0.00 60.65 60.16 3d9y s ILE 16 Cb 0.09 -1.53 -0.32 0.00 0.01 0.00 0.00 42.46 40.71 3d9y s ILE 16 CO 0.55 0.47 0.55 -0.90 0.00 0.00 0.00 174.94 175.61 3d9y n ASP 17 N 4.74 0.22 -3.92 3.58 5.75 -0.41 -4.03 116.55 122.48 3d9y n ASP 17 Ca -0.18 -0.18 -0.10 0.00 -0.01 0.00 0.00 54.79 54.33 3d9y n ASP 17 Cb 0.50 1.81 -0.10 0.00 -1.03 0.00 0.00 41.12 42.30 3d9y n ASP 17 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3d9y s ARG 18 N -3.41 0.45 0.13 0.11 0.52 -1.22 -5.01 118.95 110.52 3d9y s ARG 18 Ca -0.05 -0.55 -0.23 0.00 -0.52 0.00 0.00 55.73 54.38 3d9y s ARG 18 Cb 0.14 0.18 0.07 0.00 0.52 0.00 0.00 34.95 35.85 3d9y s ARG 18 CO 0.89 -0.10 0.58 0.00 0.02 0.00 0.00 175.30 176.69 3d9y s ALA 19 N -1.67 -1.52 0.07 2.13 0.00 -1.26 -0.74 121.76 118.78 3d9y s ALA 19 Ca -0.13 0.50 -0.12 0.00 0.00 0.00 0.00 51.96 52.20 3d9y s ALA 19 Cb -0.07 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.84 3d9y s ALA 19 CO -0.01 -0.71 0.28 0.00 0.00 0.00 0.00 175.76 175.32 3d9y s ALA 20 N -3.50 -0.58 -0.08 0.00 0.00 0.07 -0.91 121.76 116.77 3d9y s ALA 20 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.77 3d9y s ALA 20 Cb -0.01 0.44 0.02 0.00 0.00 0.00 0.00 23.12 23.57 3d9y s ALA 20 CO -0.11 -0.48 -0.11 0.42 0.00 0.00 0.00 175.76 175.48 3d9y s ILE 21 N -3.18 1.13 0.13 0.00 1.01 0.45 -0.77 121.20 119.96 3d9y s ILE 21 Ca -0.01 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.24 3d9y s ILE 21 Cb 0.01 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 3d9y s ILE 21 CO -0.07 0.36 -0.09 0.68 0.00 0.00 0.00 174.94 175.82 3d9y s VAL 22 N 0.97 1.04 0.28 2.92 -7.23 -0.62 -0.33 120.40 117.42 3d9y s VAL 22 Ca -0.09 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 57.78 3d9y s VAL 22 Cb -0.15 -1.78 -0.10 0.00 0.56 0.00 0.00 36.38 34.91 3d9y s VAL 22 CO 0.00 -0.77 1.32 -0.55 -0.31 0.00 0.00 175.10 174.79 3d9y s SER 23 N -3.10 6.82 0.49 4.85 0.15 0.17 -0.32 113.70 122.75 3d9y s SER 23 Ca 0.15 2.58 0.18 0.00 0.70 0.00 0.00 55.95 59.56 3d9y s SER 23 Cb 0.03 -2.63 1.21 0.00 -1.71 0.00 0.00 66.02 62.92 3d9y s SER 23 CO -0.01 -0.53 2.02 -0.09 1.20 0.00 0.00 173.24 175.83 3d9y h ARG 24 N 4.24 0.17 0.00 5.44 1.12 -1.19 -0.76 114.38 123.39 3d9y h ARG 24 Ca -0.47 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.39 3d9y h ARG 24 Cb 1.22 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.14 3d9y h ARG 24 CO 0.71 0.11 0.00 0.00 -3.11 0.00 0.00 179.97 177.68 3d9y n ALA 25 N -2.57 2.10 -1.37 2.80 0.00 -1.26 -4.80 120.51 115.41 3d9y n ALA 25 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 3d9y n ALA 25 Cb 0.40 -1.41 -0.00 0.00 0.00 0.00 0.00 19.45 18.43 3d9y n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d9y n GLY 26 N 0.96 0.43 0.05 0.00 0.00 -0.29 -4.95 105.19 101.39 3d9y n GLY 26 Ca 0.05 -0.96 0.06 0.00 0.00 0.00 0.00 46.02 45.18 3d9y n GLY 26 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d9y n ASP 27 N 1.74 0.17 -3.52 1.61 5.75 -1.26 -3.84 116.55 117.21 3d9y n ASP 27 Ca -0.02 0.07 -0.11 0.00 -0.01 0.00 0.00 54.79 54.73 3d9y n ASP 27 Cb 0.20 1.46 -0.02 0.00 -1.03 0.00 0.00 41.12 41.74 3d9y n ASP 27 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3d9y s SER 28 N -4.92 -0.49 -0.22 -1.12 1.04 -1.26 -5.05 113.70 101.68 3d9y s SER 28 Ca -0.07 -0.13 -0.07 0.00 0.48 0.00 0.00 55.95 56.16 3d9y s SER 28 Cb 0.11 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 66.81 3d9y s SER 28 CO 0.87 -1.02 0.07 0.54 0.98 0.00 0.00 173.24 174.68 3d9y s VAL 29 N -3.73 4.50 -0.05 5.02 0.11 -1.26 -0.66 120.40 124.33 3d9y s VAL 29 Ca 0.03 -0.12 0.13 0.00 -2.93 0.00 0.00 61.98 59.10 3d9y s VAL 29 Cb -0.02 -3.07 -0.21 0.00 -1.53 0.00 0.00 36.38 31.55 3d9y s VAL 29 CO -0.09 0.38 0.74 -0.50 -3.33 0.00 0.00 175.10 172.31 3d9y h TRP 30 N 7.62 0.00 -2.24 1.54 6.55 -1.01 -3.49 115.95 124.93 3d9y h TRP 30 Ca -0.37 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.47 3d9y h TRP 30 Cb 1.18 0.00 -0.17 0.00 -0.86 0.00 0.00 29.16 29.30 3d9y h TRP 30 CO 0.63 0.92 0.30 0.00 -1.05 0.00 0.00 178.44 179.25 3d9y s ALA 31 N -2.67 -1.76 -0.09 1.49 0.00 -0.90 -4.65 121.76 113.19 3d9y s ALA 31 Ca -0.04 1.10 -0.31 0.00 0.00 0.00 0.00 51.96 52.71 3d9y s ALA 31 Cb 0.08 0.18 0.09 0.00 0.00 0.00 0.00 23.12 23.47 3d9y s ALA 31 CO 0.82 -0.52 0.77 0.00 0.00 0.00 0.00 175.76 176.84 3d9y s ALA 32 N -2.16 -1.82 0.76 0.00 0.00 -1.26 -0.41 121.76 116.86 3d9y s ALA 32 Ca -0.04 1.41 -0.12 0.00 0.00 0.00 0.00 51.96 53.22 3d9y s ALA 32 Cb -0.00 -0.23 0.05 0.00 0.00 0.00 0.00 23.12 22.93 3d9y s ALA 32 CO -0.01 -0.35 1.14 -1.54 0.00 0.00 0.00 175.76 175.00 3d9y s SER 33 N -1.13 4.99 -0.00 0.00 1.04 -0.09 -4.99 113.70 113.52 3d9y s SER 33 Ca -0.08 0.96 -0.30 0.00 0.48 0.00 0.00 55.95 57.01 3d9y s SER 33 Cb -0.00 -1.61 -0.07 0.00 0.10 0.00 0.00 66.02 64.44 3d9y s SER 33 CO 0.07 -1.61 1.68 0.00 0.98 0.00 0.00 173.24 174.36 3d9y s ALA 34 N -3.46 3.63 0.00 5.32 0.00 -1.26 -2.41 121.76 123.57 3d9y s ALA 34 Ca 0.60 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.62 3d9y s ALA 34 Cb -0.11 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.27 3d9y s ALA 34 CO 0.50 -1.31 0.00 0.41 0.00 0.00 0.00 175.76 175.36 3d9y n GLY 35 N 4.12 3.31 2.82 0.00 0.00 -1.26 -4.97 105.19 109.20 3d9y n GLY 35 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3d9y n GLY 35 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3d9y n PHE 36 N -1.49 3.02 -3.01 1.61 -0.00 -1.01 -4.94 117.46 111.65 3d9y n PHE 36 Ca 0.00 -2.83 -0.43 0.00 -0.00 0.00 0.00 57.45 54.20 3d9y n PHE 36 Cb 0.00 -2.07 -0.06 0.00 -0.00 0.00 0.00 39.48 37.35 3d9y n PHE 36 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 3d9y s ASN 37 N 1.31 6.40 -0.19 -2.13 0.01 -1.26 -4.68 114.94 114.39 3d9y s ASN 37 Ca 0.42 -0.11 -0.13 0.00 -0.71 0.00 0.00 52.86 52.33 3d9y s ASN 37 Cb 0.11 -2.37 -0.05 0.00 0.41 0.00 0.00 41.25 39.36 3d9y s ASN 37 CO -0.02 -0.85 0.27 -0.76 -1.51 0.00 0.00 177.10 174.24 3d9y s LEU 38 N 3.12 4.19 0.53 0.60 1.43 -1.26 -4.02 118.68 123.27 3d9y s LEU 38 Ca 0.28 0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 53.65 3d9y s LEU 38 Cb -0.13 -2.31 -0.05 0.00 0.03 0.00 0.00 46.19 43.73 3d9y s LEU 38 CO 0.21 0.05 0.93 -0.94 0.23 0.00 0.00 176.35 176.83 3d9y s SER 39 N 0.74 6.37 0.28 2.29 1.04 -1.26 -4.88 113.70 118.28 3d9y s SER 39 Ca 0.14 1.31 0.01 0.00 0.48 0.00 0.00 55.95 57.89 3d9y s SER 39 Cb -0.13 -2.41 0.62 0.00 0.10 0.00 0.00 66.02 64.20 3d9y s SER 39 CO 0.04 -0.67 1.74 -0.65 0.98 0.00 0.00 173.24 174.69 3d9y h PRO 40 N 0.33 0.56 -0.59 4.02 0.11 -1.98 -0.88 132.00 133.56 3d9y h PRO 40 Ca -0.46 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 3d9y h PRO 40 Cb 1.19 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3d9y h PRO 40 CO 0.62 0.37 0.10 1.96 -0.21 0.00 0.00 178.00 180.84 3d9y h GLN 41 N 0.57 0.98 -0.15 1.05 7.50 -1.94 -0.38 115.11 122.74 3d9y h GLN 41 Ca 0.51 -0.26 -0.01 0.00 0.50 0.00 0.00 58.65 59.39 3d9y h GLN 41 Cb 0.81 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 28.22 3d9y h GLN 41 CO -0.41 0.92 0.07 0.93 -1.50 0.00 0.00 178.83 178.83 3d9y h GLU 42 N 0.88 0.22 -0.21 1.46 5.08 -1.55 -0.17 114.58 120.28 3d9y h GLU 42 Ca 0.18 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 3d9y h GLU 42 Cb 0.42 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3d9y h GLU 42 CO 0.01 0.29 -0.38 -0.84 -1.00 0.00 0.00 179.01 177.09 3d9y h ILE 43 N 0.10 1.30 -0.63 3.13 3.07 -1.09 0.23 117.51 123.63 3d9y h ILE 43 Ca 0.05 -1.52 -0.01 0.00 1.55 0.00 0.00 64.86 64.93 3d9y h ILE 43 Cb 0.15 1.56 -0.03 0.00 -0.27 0.00 0.00 36.82 38.23 3d9y h ILE 43 CO -0.01 0.47 0.35 1.56 -1.05 0.00 0.00 178.15 179.48 3d9y h GLN 44 N 0.39 0.87 -0.37 0.16 4.20 -1.01 -0.02 115.11 119.34 3d9y h GLN 44 Ca 0.04 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3d9y h GLN 44 Cb 0.85 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 3d9y h GLN 44 CO 0.07 0.65 0.19 0.78 -0.67 0.00 0.00 178.83 179.85 3d9y h GLY 45 N 0.85 0.56 0.98 3.46 0.00 -0.49 -1.26 103.07 107.17 3d9y h GLY 45 Ca 0.22 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 3d9y h GLY 45 CO -0.04 0.25 -0.08 -2.00 0.00 0.00 0.00 176.54 174.68 3d9y h LEU 46 N 0.46 0.78 -0.49 3.11 5.85 -0.83 -1.32 115.31 122.87 3d9y h LEU 46 Ca 0.13 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.50 3d9y h LEU 46 Cb 0.08 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3d9y h LEU 46 CO -0.02 0.95 0.32 0.00 -0.34 0.00 0.00 178.44 179.35 3d9y h ALA 47 N 0.86 0.62 -0.48 1.25 0.00 -0.92 -1.91 119.26 118.67 3d9y h ALA 47 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3d9y h ALA 47 Cb 0.60 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3d9y h ALA 47 CO 0.04 0.05 0.24 0.00 0.00 0.00 0.00 179.25 179.59 3d9y h ALA 48 N 1.18 1.53 -0.89 0.00 0.00 -1.09 -2.84 119.26 117.15 3d9y h ALA 48 Ca 0.18 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.10 3d9y h ALA 48 Cb -0.06 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.45 3d9y h ALA 48 CO -0.05 0.39 0.53 0.78 0.00 0.00 0.00 179.25 180.91 3d9y h GLY 49 N 0.76 1.42 2.00 0.00 0.00 -0.42 -1.67 103.07 105.16 3d9y h GLY 49 Ca 0.17 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 3d9y h GLY 49 CO -0.03 0.15 -0.13 0.74 0.00 0.00 0.00 176.54 177.28 3d9y h PHE 50 N 0.88 0.00 0.00 5.60 0.04 -1.29 -1.79 116.94 120.37 3d9y h PHE 50 Ca 0.43 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.20 3d9y h PHE 50 Cb 0.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.55 3d9y h PHE 50 CO -0.04 0.13 0.00 1.96 -0.60 0.00 0.00 178.31 179.76 3d9y h GLN 51 N 0.00 0.00 -1.23 1.51 4.20 -1.37 -3.39 115.11 114.84 3d9y h GLN 51 Ca -0.00 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 58.29 3d9y h GLN 51 Cb 0.40 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 27.89 3d9y h GLN 51 CO 0.02 0.00 -0.84 -3.47 -0.67 0.00 0.00 178.83 173.87 3d9y n ASP 52 N -2.80 -1.22 -0.33 1.46 2.03 -0.75 -5.05 116.55 109.88 3d9y n ASP 52 Ca 0.05 -2.91 0.04 0.00 0.52 0.00 0.00 54.79 52.49 3d9y n ASP 52 Cb 0.49 0.42 0.19 0.00 -0.72 0.00 0.00 41.12 41.50 3d9y n ASP 52 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3d9y h PRO 53 N 4.17 0.90 -0.43 -0.67 0.11 -1.55 -2.00 132.00 132.53 3d9y h PRO 53 Ca 0.00 -0.05 0.12 0.00 0.11 0.00 0.00 66.00 66.18 3d9y h PRO 53 Cb 0.95 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 3d9y h PRO 53 CO 0.38 0.59 0.31 -1.35 -0.21 0.00 0.00 178.00 177.72 3d9y h PRO 54 N 0.92 0.02 -0.05 1.05 0.11 -1.86 -0.95 132.00 131.23 3d9y h PRO 54 Ca 0.44 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.56 3d9y h PRO 54 Cb 0.37 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 3d9y h PRO 54 CO -0.24 0.01 0.05 0.66 -0.21 0.00 0.00 178.00 178.27 3d9y h SER 55 N 0.02 0.00 0.57 -2.05 4.64 -1.71 -2.44 113.55 112.58 3d9y h SER 55 Ca 0.20 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.49 3d9y h SER 55 Cb 0.79 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3d9y h SER 55 CO -0.01 0.00 -0.15 0.24 -0.87 0.00 0.00 176.83 176.05 3d9y h MET 56 N 0.00 0.00 -0.44 4.77 2.86 -1.30 -2.57 114.93 118.25 3d9y h MET 56 Ca 0.02 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.57 3d9y h MET 56 Cb 0.12 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 3d9y h MET 56 CO -0.00 0.15 -0.12 0.74 1.06 0.00 0.00 176.91 178.74 3d9y h PHE 57 N 0.00 0.90 -0.23 -0.22 -1.00 -1.59 0.53 116.94 115.32 3d9y h PHE 57 Ca -0.00 -0.17 -0.19 0.00 2.81 0.00 0.00 57.97 60.42 3d9y h PHE 57 Cb 0.47 -0.23 -0.00 0.00 3.61 0.00 0.00 35.95 39.80 3d9y h PHE 57 CO 0.00 0.88 -0.59 0.78 -1.61 0.00 0.00 178.31 177.77 3d9y h GLY 58 N 0.97 0.83 1.46 -1.45 0.00 -1.64 -3.34 103.07 99.91 3d9y h GLY 58 Ca 0.12 -1.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.20 3d9y h GLY 58 CO 0.04 0.90 -1.36 -0.91 0.00 0.00 0.00 176.54 175.21 3d9y h THR 59 N 0.57 1.24 -0.54 4.70 1.35 -1.44 -3.51 112.91 115.27 3d9y h THR 59 Ca -0.00 -3.01 0.05 0.00 -0.55 0.00 0.00 66.41 62.90 3d9y h THR 59 Cb 1.19 2.61 -0.01 0.00 -1.73 0.00 0.00 68.15 70.20 3d9y h THR 59 CO 0.12 0.70 -0.06 0.61 -0.25 0.00 0.00 175.52 176.65 3d9y n GLY 60 N 1.45 -2.07 3.20 5.82 0.00 0.17 -4.84 105.19 108.92 3d9y n GLY 60 Ca -0.09 -1.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 3d9y n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d9y s ILE 61 N -0.74 2.91 -0.35 -0.61 1.01 -0.67 -4.86 121.20 117.89 3d9y s ILE 61 Ca 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 60.65 59.50 3d9y s ILE 61 Cb 0.00 -2.51 0.02 0.00 0.01 0.00 0.00 42.46 39.99 3d9y s ILE 61 CO 0.00 0.16 0.15 -0.63 0.00 0.00 0.00 174.94 174.62 3d9y s ILE 62 N 1.32 4.26 -0.05 2.92 1.01 -1.26 -0.57 121.20 128.83 3d9y s ILE 62 Ca -0.00 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 59.73 3d9y s ILE 62 Cb -0.17 -3.34 0.01 0.00 0.01 0.00 0.00 42.46 38.98 3d9y s ILE 62 CO -0.04 -0.14 0.14 -0.76 0.00 0.00 0.00 174.94 174.14 3d9y s LEU 63 N 1.51 1.45 -1.49 2.97 1.43 -0.30 -4.82 118.68 119.43 3d9y s LEU 63 Ca 0.01 0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 53.31 3d9y s LEU 63 Cb -0.19 0.46 0.06 0.00 0.03 0.00 0.00 46.19 46.55 3d9y s LEU 63 CO 0.05 -0.05 0.71 0.00 0.23 0.00 0.00 176.35 177.28 3d9y n ALA 64 N 3.06 -1.65 -1.25 4.21 0.00 -1.26 -1.70 120.51 121.93 3d9y n ALA 64 Ca -0.13 -0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.16 3d9y n ALA 64 Cb 0.59 -2.83 -0.04 0.00 0.00 0.00 0.00 19.45 17.17 3d9y n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d9y n GLY 65 N -1.70 0.98 3.16 0.00 0.00 -1.26 -4.98 105.19 101.39 3d9y n GLY 65 Ca -0.13 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 3d9y n GLY 65 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3d9y s GLN 66 N -2.47 1.68 -0.25 1.61 2.00 -0.69 -5.12 119.66 116.41 3d9y s GLN 66 Ca 0.00 -0.64 -0.08 0.00 -2.00 0.00 0.00 55.36 52.64 3d9y s GLN 66 Cb 0.00 -1.52 -0.04 0.00 0.80 0.00 0.00 33.01 32.25 3d9y s GLN 66 CO 0.00 0.32 0.10 0.21 -0.50 0.00 0.00 175.29 175.42 3d9y s LYS 67 N -0.18 3.75 0.05 1.67 2.20 -1.26 -1.15 119.74 124.82 3d9y s LYS 67 Ca 0.01 -0.43 0.01 0.00 -0.36 0.00 0.00 55.97 55.20 3d9y s LYS 67 Cb -0.10 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 3d9y s LYS 67 CO 0.01 -0.16 0.16 0.71 -0.36 0.00 0.00 175.35 175.71 3d9y s TYR 68 N 1.59 3.42 -0.13 4.03 2.02 0.27 -4.93 117.35 123.62 3d9y s TYR 68 Ca 0.06 0.21 -0.29 0.00 -0.37 0.00 0.00 57.07 56.68 3d9y s TYR 68 Cb -0.15 -1.73 -0.01 0.00 -0.40 0.00 0.00 41.96 39.67 3d9y s TYR 68 CO 0.06 0.58 1.08 0.42 -1.57 0.00 0.00 175.55 176.11 3d9y s ILE 69 N -1.44 4.59 0.06 2.71 1.09 0.15 -1.66 121.20 126.70 3d9y s ILE 69 Ca 0.32 1.89 -0.31 0.00 -1.10 0.00 0.00 60.65 61.45 3d9y s ILE 69 Cb -0.13 -4.22 -0.06 0.00 -1.06 0.00 0.00 42.46 36.99 3d9y s ILE 69 CO 0.25 -0.06 1.34 -0.89 -0.10 0.00 0.00 174.94 175.48 3d9y s THR 70 N 2.49 3.66 -0.03 2.92 2.01 -1.26 -0.48 115.64 124.94 3d9y s THR 70 Ca 0.50 1.15 0.04 0.00 0.31 0.00 0.00 61.69 63.68 3d9y s THR 70 Cb -0.19 -3.74 -0.06 0.00 0.01 0.00 0.00 72.50 68.52 3d9y s THR 70 CO 0.16 0.06 0.10 2.30 -0.69 0.00 0.00 174.62 176.54 3d9y n ILE 71 N 4.18 0.00 -3.76 1.82 -5.35 -0.14 -4.94 119.36 111.17 3d9y n ILE 71 Ca 0.11 -0.13 -0.13 0.00 -0.27 0.00 0.00 62.75 62.33 3d9y n ILE 71 Cb 0.44 0.49 -0.12 0.00 -1.74 0.00 0.00 39.64 38.70 3d9y n ILE 71 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3d9y s ARG 72 N -2.16 0.25 -0.21 6.28 3.52 -1.09 -4.97 118.95 120.57 3d9y s ARG 72 Ca -0.01 0.41 -0.04 0.00 -0.13 0.00 0.00 55.73 55.97 3d9y s ARG 72 Cb 0.03 0.03 0.11 0.00 -1.56 0.00 0.00 34.95 33.56 3d9y s ARG 72 CO 0.17 -0.09 0.32 0.00 -0.81 0.00 0.00 175.30 174.89 3d9y s ALA 73 N 0.59 -0.79 0.20 6.12 0.00 -1.25 -0.70 121.76 125.92 3d9y s ALA 73 Ca -0.04 0.77 0.04 0.00 0.00 0.00 0.00 51.96 52.74 3d9y s ALA 73 Cb -0.05 -1.46 -0.01 0.00 0.00 0.00 0.00 23.12 21.59 3d9y s ALA 73 CO -0.03 -1.13 0.14 0.39 0.00 0.00 0.00 175.76 175.13 3d9y n GLU 74 N 5.35 0.36 0.30 0.00 1.02 0.13 -4.57 120.64 123.24 3d9y n GLU 74 Ca -0.05 -1.94 0.18 0.00 -0.02 0.00 0.00 57.16 55.33 3d9y n GLU 74 Cb 0.50 1.45 0.96 0.00 -0.02 0.00 0.00 31.44 34.33 3d9y n GLU 74 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3d9y h GLY 75 N 1.12 0.00 0.00 0.62 0.00 -1.95 -3.12 103.07 99.74 3d9y h GLY 75 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3d9y h GLY 75 CO 0.22 0.00 -1.08 -2.13 0.00 0.00 0.00 176.54 173.55 3d9y n ARG 76 N -3.34 0.40 -3.93 4.80 0.63 -1.26 -4.88 116.66 109.08 3d9y n ARG 76 Ca -0.02 -0.02 -0.20 0.00 -0.92 0.00 0.00 57.85 56.69 3d9y n ARG 76 Cb 0.16 -1.04 -0.17 0.00 0.45 0.00 0.00 32.46 31.85 3d9y n ARG 76 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3d9y s SER 77 N -2.27 0.93 -0.16 6.15 0.01 -1.18 -1.02 113.70 116.16 3d9y s SER 77 Ca -0.01 -0.06 -0.01 0.00 1.31 0.00 0.00 55.95 57.18 3d9y s SER 77 Cb 0.02 -0.34 0.04 0.00 0.21 0.00 0.00 66.02 65.95 3d9y s SER 77 CO 0.12 -0.12 -0.04 -0.63 0.41 0.00 0.00 173.24 172.98 3d9y s ILE 78 N 1.33 1.00 0.05 1.44 1.01 -0.27 -0.69 121.20 125.07 3d9y s ILE 78 Ca -0.05 -0.58 0.09 0.00 0.00 0.00 0.00 60.65 60.11 3d9y s ILE 78 Cb -0.13 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 3d9y s ILE 78 CO -0.02 0.09 -0.24 -0.31 0.00 0.00 0.00 174.94 174.46 3d9y s TYR 79 N 1.68 2.39 0.15 3.97 2.02 0.12 -0.89 117.35 126.79 3d9y s TYR 79 Ca 0.01 -0.37 -0.00 0.00 -0.37 0.00 0.00 57.07 56.34 3d9y s TYR 79 Cb -0.15 -1.40 -0.04 0.00 -0.40 0.00 0.00 41.96 39.96 3d9y s TYR 79 CO -0.07 0.18 0.06 0.20 -1.57 0.00 0.00 175.55 174.34 3d9y s GLY 80 N -1.35 1.13 0.04 0.71 0.00 -0.00 -0.97 107.32 106.88 3d9y s GLY 80 Ca 0.13 -1.54 0.02 0.00 0.00 0.00 0.00 44.72 43.32 3d9y s GLY 80 CO 0.03 -1.41 -0.07 -1.59 0.00 0.00 0.00 173.10 170.07 3d9y s LYS 81 N -4.04 0.52 -0.22 2.90 -2.85 0.37 -1.30 119.74 115.11 3d9y s LYS 81 Ca 0.27 -0.80 -0.03 0.00 -1.00 0.00 0.00 55.97 54.41 3d9y s LYS 81 Cb 0.07 -0.19 0.11 0.00 -2.06 0.00 0.00 37.83 35.77 3d9y s LYS 81 CO 0.04 0.02 0.29 -1.17 0.10 0.00 0.00 175.35 174.63 3d9y s LEU 82 N -1.73 -0.33 0.00 2.77 2.96 -0.59 -0.68 118.68 121.09 3d9y s LEU 82 Ca -0.09 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 3d9y s LEU 82 Cb -0.08 0.68 0.00 0.00 0.50 0.00 0.00 46.19 47.29 3d9y s LEU 82 CO -0.01 -0.32 0.00 0.00 -1.32 0.00 0.00 176.35 174.70 3d9y n GLN 83 N 5.34 0.00 -0.13 1.98 3.00 -1.26 -1.88 117.38 124.43 3d9y n GLN 83 Ca -0.05 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.05 3d9y n GLN 83 Cb 0.50 0.00 0.29 0.00 0.00 0.00 0.00 30.24 31.03 3d9y n GLN 83 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3d9y n LYS 84 N 14.00 2.05 -2.93 -1.09 4.01 -1.26 -4.84 118.16 128.10 3d9y n LYS 84 Ca 0.00 -1.59 -0.20 0.00 -0.51 0.00 0.00 58.31 56.01 3d9y n LYS 84 Cb 0.00 -1.43 0.05 0.00 -0.51 0.00 0.00 35.03 33.14 3d9y n LYS 84 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 3d9y s GLU 85 N -1.65 2.39 0.06 1.97 2.02 -0.79 -3.82 118.70 118.89 3d9y s GLU 85 Ca 0.34 -1.38 -0.10 0.00 0.02 0.00 0.00 54.97 53.85 3d9y s GLU 85 Cb 0.19 -2.62 0.04 0.00 0.10 0.00 0.00 34.13 31.84 3d9y s GLU 85 CO 0.28 -0.76 0.49 0.41 0.02 0.00 0.00 175.26 175.69 3d9y n GLY 86 N -2.22 0.86 2.99 -1.39 0.00 -0.98 -1.54 105.19 102.91 3d9y n GLY 86 Ca 0.13 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 3d9y n GLY 86 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3d9y s ILE 87 N -2.28 -0.02 -0.18 -0.61 1.10 -0.42 -1.57 121.20 117.23 3d9y s ILE 87 Ca 0.11 0.07 0.01 0.00 -0.51 0.00 0.00 60.65 60.32 3d9y s ILE 87 Cb -0.01 -0.23 0.03 0.00 0.15 0.00 0.00 42.46 42.40 3d9y s ILE 87 CO 0.02 0.03 -0.13 -0.63 -2.11 0.00 0.00 174.94 172.11 3d9y s ILE 88 N 0.50 1.68 -0.14 2.00 -1.09 0.63 -0.82 121.20 123.95 3d9y s ILE 88 Ca -0.04 -0.85 0.01 0.00 -2.23 0.00 0.00 60.65 57.54 3d9y s ILE 88 Cb -0.05 -1.64 -0.00 0.00 -1.58 0.00 0.00 42.46 39.18 3d9y s ILE 88 CO -0.02 0.34 -0.16 0.00 -1.23 0.00 0.00 174.94 173.87 3d9y s VAL 90 N 0.66 0.34 0.01 0.00 1.01 -0.19 -1.11 120.40 121.12 3d9y s VAL 90 Ca -0.08 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.77 3d9y s VAL 90 Cb -0.16 -0.45 -0.06 0.00 0.00 0.00 0.00 36.38 35.72 3d9y s VAL 90 CO 0.02 0.21 0.53 0.00 0.00 0.00 0.00 175.10 175.87 3d9y s ALA 91 N 1.43 3.57 0.00 5.51 0.00 -0.19 -0.33 121.76 131.74 3d9y s ALA 91 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.88 3d9y s ALA 91 Cb -0.13 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.37 3d9y s ALA 91 CO -0.03 0.29 0.00 0.25 0.00 0.00 0.00 175.76 176.28 3d9y n THR 92 N 2.30 0.00 -0.13 0.00 -2.24 0.26 -4.93 114.28 109.54 3d9y n THR 92 Ca -0.10 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.59 3d9y n THR 92 Cb 0.51 -0.71 -0.01 0.00 -2.10 0.00 0.00 70.33 68.02 3d9y n THR 92 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3d9y h LYS 93 N 0.00 0.62 0.00 -0.78 3.64 -1.80 -3.36 116.57 114.89 3d9y h LYS 93 Ca 0.00 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3d9y h LYS 93 Cb 0.00 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3d9y h LYS 93 CO 0.00 0.66 -0.31 1.28 -2.27 0.00 0.00 179.45 178.81 3d9y n LEU 94 N -4.57 0.24 -4.24 5.20 4.77 0.90 -4.89 117.00 114.42 3d9y n LEU 94 Ca -0.01 -0.47 -0.14 0.00 -0.03 0.00 0.00 56.01 55.36 3d9y n LEU 94 Cb 0.21 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 3d9y n LEU 94 CO 0.38 0.06 -0.21 0.00 -1.33 0.00 0.00 177.39 176.29 3d9y s ILE 96 N -3.95 1.46 -0.02 0.00 1.01 0.56 0.89 121.20 121.15 3d9y s ILE 96 Ca 0.39 -0.61 -0.22 0.00 0.00 0.00 0.00 60.65 60.21 3d9y s ILE 96 Cb 0.06 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 3d9y s ILE 96 CO 0.15 0.43 0.65 -0.76 0.00 0.00 0.00 174.94 175.42 3d9y s LEU 97 N 1.07 4.39 -0.20 2.97 1.43 0.55 -1.58 118.68 127.30 3d9y s LEU 97 Ca -0.05 1.21 0.01 0.00 -1.03 0.00 0.00 54.13 54.27 3d9y s LEU 97 Cb -0.15 -3.01 0.03 0.00 0.03 0.00 0.00 46.19 43.09 3d9y s LEU 97 CO -0.03 0.02 -0.16 -0.69 0.23 0.00 0.00 176.35 175.72 3d9y s VAL 98 N 0.15 1.98 -0.14 -1.59 1.01 0.05 -1.02 120.40 120.84 3d9y s VAL 98 Ca 0.34 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 61.26 3d9y s VAL 98 Cb -0.18 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.31 3d9y s VAL 98 CO 0.18 0.36 -0.18 -0.44 0.00 0.00 0.00 175.10 175.02 3d9y s SER 99 N 1.28 2.85 -0.07 3.32 0.01 0.27 -0.75 113.70 120.61 3d9y s SER 99 Ca 0.01 -0.54 -0.11 0.00 1.31 0.00 0.00 55.95 56.62 3d9y s SER 99 Cb -0.15 -1.30 -0.05 0.00 0.21 0.00 0.00 66.02 64.73 3d9y s SER 99 CO -0.10 0.03 0.27 -2.28 0.41 0.00 0.00 173.24 171.56 3d9y s HIS 100 N 1.05 3.65 0.03 2.43 2.46 0.08 -0.27 115.29 124.72 3d9y s HIS 100 Ca -0.03 0.74 0.06 0.00 0.47 0.00 0.00 55.06 56.30 3d9y s HIS 100 Cb -0.15 -2.12 -0.02 0.00 -0.13 0.00 0.00 32.58 30.16 3d9y s HIS 100 CO -0.05 0.66 -0.18 1.52 -2.47 0.00 0.00 174.74 174.23 3d9y s TYR 101 N -0.95 1.54 0.88 3.88 -0.85 -0.61 -1.29 117.35 119.96 3d9y s TYR 101 Ca 0.19 -0.35 -0.12 0.00 -0.52 0.00 0.00 57.07 56.27 3d9y s TYR 101 Cb -0.14 -0.93 0.16 0.00 0.38 0.00 0.00 41.96 41.42 3d9y s TYR 101 CO 0.08 0.05 1.23 -1.25 -1.52 0.00 0.00 175.55 174.14 3d9y s PRO 102 N -1.00 1.15 0.59 -3.49 0.04 -1.26 -2.32 135.00 128.71 3d9y s PRO 102 Ca 0.05 -0.40 0.29 0.00 0.04 0.00 0.00 61.00 60.98 3d9y s PRO 102 Cb -0.08 -1.96 1.65 0.00 0.04 0.00 0.00 34.50 34.16 3d9y s PRO 102 CO 0.01 -2.04 2.10 1.05 0.04 0.00 0.00 177.00 178.16 3d9y h GLU 103 N -1.30 0.00 -0.00 4.56 4.11 -1.96 -2.80 114.58 117.19 3d9y h GLU 103 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 3d9y h GLU 103 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3d9y h GLU 103 CO 0.45 0.00 -0.21 -2.37 0.07 0.00 0.00 179.01 176.95 3d9y n THR 104 N -3.80 0.00 -4.47 -1.06 5.66 -1.26 -4.79 114.28 104.56 3d9y n THR 104 Ca 0.02 -0.02 -0.35 0.00 -3.05 0.00 0.00 64.05 60.66 3d9y n THR 104 Cb 0.33 -0.12 -0.10 0.00 -1.55 0.00 0.00 70.33 68.89 3d9y n THR 104 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3d9y s THR 105 N -2.88 4.08 0.31 1.09 -4.23 -1.06 -5.08 115.64 107.88 3d9y s THR 105 Ca 0.16 -0.34 -0.29 0.00 -1.18 0.00 0.00 61.69 60.05 3d9y s THR 105 Cb 0.19 -2.70 -0.10 0.00 1.34 0.00 0.00 72.50 71.23 3d9y s THR 105 CO 0.58 0.60 1.32 -0.76 -0.54 0.00 0.00 174.62 175.83 3d9y s LEU 106 N -0.86 4.42 0.38 4.79 1.43 -1.26 -4.87 118.68 122.71 3d9y s LEU 106 Ca 0.13 2.67 0.09 0.00 -1.03 0.00 0.00 54.13 55.99 3d9y s LEU 106 Cb -0.11 -3.64 0.83 0.00 0.03 0.00 0.00 46.19 43.30 3d9y s LEU 106 CO 0.02 -0.55 1.94 -0.65 0.23 0.00 0.00 176.35 177.33 3d9y h PRO 107 N 3.69 0.63 -0.75 1.29 0.11 -1.96 0.74 132.00 135.76 3d9y h PRO 107 Ca -0.48 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.62 3d9y h PRO 107 Cb 1.22 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 3d9y h PRO 107 CO 0.68 0.42 0.50 0.78 -0.21 0.00 0.00 178.00 180.16 3d9y h GLY 108 N 0.65 1.05 0.77 -0.55 0.00 -1.99 -1.27 103.07 101.74 3d9y h GLY 108 Ca 0.34 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 3d9y h GLY 108 CO -0.12 0.32 -0.04 0.83 0.00 0.00 0.00 176.54 177.53 3d9y h GLU 109 N 0.93 -0.11 -0.67 4.80 5.08 -1.22 -0.72 114.58 122.67 3d9y h GLU 109 Ca 0.30 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.62 3d9y h GLU 109 Cb 0.04 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3d9y h GLU 109 CO -0.08 0.14 0.23 0.00 -1.00 0.00 0.00 179.01 178.29 3d9y h ALA 110 N 0.55 0.88 -0.27 3.43 0.00 -1.37 -1.79 119.26 120.69 3d9y h ALA 110 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3d9y h ALA 110 Cb 0.29 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3d9y h ALA 110 CO 0.02 0.54 0.18 0.00 0.00 0.00 0.00 179.25 179.98 3d9y h ALA 111 N 1.10 0.34 -0.50 0.00 0.00 -1.23 -1.74 119.26 117.23 3d9y h ALA 111 Ca 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3d9y h ALA 111 Cb 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3d9y h ALA 111 CO -0.01 -0.19 0.27 0.87 0.00 0.00 0.00 179.25 180.19 3d9y h LYS 112 N 0.36 0.70 -0.10 0.00 1.57 -0.81 0.14 116.57 118.42 3d9y h LYS 112 Ca 0.10 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3d9y h LYS 112 Cb -0.03 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 3d9y h LYS 112 CO -0.03 0.55 0.05 0.82 -0.57 0.00 0.00 179.45 180.28 3d9y h ILE 113 N 0.66 1.10 -0.28 1.86 2.04 -1.27 -1.59 117.51 120.03 3d9y h ILE 113 Ca 0.18 -0.29 -0.17 0.00 1.00 0.00 0.00 64.86 65.58 3d9y h ILE 113 Cb 0.06 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3d9y h ILE 113 CO -0.03 0.09 -0.49 0.74 0.00 0.00 0.00 178.15 178.47 3d9y h THR 114 N 0.06 1.28 -0.75 -0.27 2.02 -1.08 -1.51 112.91 112.66 3d9y h THR 114 Ca 0.04 -1.67 -0.03 0.00 0.77 0.00 0.00 66.41 65.51 3d9y h THR 114 Cb 0.10 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 3d9y h THR 114 CO -0.01 0.54 0.35 -0.33 0.37 0.00 0.00 175.52 176.45 3d9y h GLU 115 N 0.60 1.08 -0.33 6.66 4.39 -0.75 -1.31 114.58 124.92 3d9y h GLU 115 Ca 0.02 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.50 3d9y h GLU 115 Cb 1.09 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 3d9y h GLU 115 CO 0.11 0.84 -0.04 0.00 -1.16 0.00 0.00 179.01 178.76 3d9y h ALA 116 N 1.31 0.45 -0.73 3.43 0.00 -1.05 -0.59 119.26 122.07 3d9y h ALA 116 Ca 0.26 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3d9y h ALA 116 Cb 0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3d9y h ALA 116 CO -0.03 0.25 0.38 1.25 0.00 0.00 0.00 179.25 181.09 3d9y h LEU 117 N 0.40 0.92 -0.22 0.00 5.85 -1.09 -0.20 115.31 120.97 3d9y h LEU 117 Ca 0.09 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3d9y h LEU 117 Cb 0.52 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3d9y h LEU 117 CO 0.03 0.76 0.10 0.00 -0.34 0.00 0.00 178.44 178.99 3d9y h ALA 118 N 1.38 0.28 -0.69 1.25 0.00 -1.01 -1.41 119.26 119.07 3d9y h ALA 118 Ca 0.26 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3d9y h ALA 118 Cb 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3d9y h ALA 118 CO -0.04 -0.15 0.44 -0.44 0.00 0.00 0.00 179.25 179.06 3d9y h ASP 119 N 0.22 0.73 0.11 0.00 3.32 -0.75 0.13 116.42 120.17 3d9y h ASP 119 Ca 0.08 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.14 3d9y h ASP 119 Cb 0.12 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 3d9y h ASP 119 CO -0.01 0.51 -0.28 0.22 -1.72 0.00 0.00 179.24 177.96 3d9y h TYR 120 N 0.87 -0.76 -0.76 4.55 3.20 -0.94 -0.79 116.97 122.34 3d9y h TYR 120 Ca 0.27 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.17 3d9y h TYR 120 Cb -0.00 0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 3d9y h TYR 120 CO -0.04 -0.38 0.50 -0.07 -1.64 0.00 0.00 178.16 176.53 3d9y h LEU 121 N -0.49 0.85 -0.45 2.82 3.38 -0.75 -0.21 115.31 120.46 3d9y h LEU 121 Ca 0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3d9y h LEU 121 Cb 0.52 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3d9y h LEU 121 CO -0.17 0.61 0.16 0.58 0.09 0.00 0.00 178.44 179.71 3d9y h VAL 122 N 1.00 1.21 -0.44 1.22 2.07 -0.52 0.41 116.25 121.20 3d9y h VAL 122 Ca 0.28 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3d9y h VAL 122 Cb -0.08 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3d9y h VAL 122 CO -0.07 0.25 0.24 1.23 0.02 0.00 0.00 177.57 179.24 3d9y h GLY 123 N 0.58 0.64 2.00 2.17 0.00 -0.23 -1.39 103.07 106.84 3d9y h GLY 123 Ca 0.15 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 3d9y h GLY 123 CO -0.01 0.26 -0.53 -2.08 0.00 0.00 0.00 176.54 174.19 3d9y h VAL 124 N 0.61 1.15 0.00 4.60 2.07 -0.79 -3.47 116.25 120.42 3d9y h VAL 124 Ca 0.16 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.72 3d9y h VAL 124 Cb 0.02 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 3d9y h VAL 124 CO -0.03 0.52 0.00 0.61 0.02 0.00 0.00 177.57 178.69 3d9y n GLY 125 N 0.43 1.70 0.31 2.17 0.00 -0.52 -5.10 105.19 104.18 3d9y n GLY 125 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3d9y n GLY 125 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60