#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h1o s ILE 2 N 0.00 2.51 -0.25 2.02 1.01 -0.18 -2.38 121.20 123.93 2h1o s ILE 2 Ca 0.00 -1.30 -0.04 0.00 0.00 0.00 0.00 60.65 59.31 2h1o s ILE 2 Cb 0.00 -2.03 0.01 0.00 0.01 0.00 0.00 42.46 40.45 2h1o s ILE 2 CO 0.00 0.33 -0.02 -0.22 0.00 0.00 0.00 174.94 175.03 2h1o s LEU 3 N -1.41 3.28 -0.05 2.97 2.96 0.16 -0.15 118.68 126.44 2h1o s LEU 3 Ca 0.14 -0.68 -0.27 0.00 -0.22 0.00 0.00 54.13 53.09 2h1o s LEU 3 Cb -0.10 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 2h1o s LEU 3 CO 0.04 -0.11 0.87 -0.76 -1.32 0.00 0.00 176.35 175.07 2h1o s LEU 4 N 1.42 4.32 0.24 -0.68 1.43 -0.27 -1.20 118.68 123.93 2h1o s LEU 4 Ca 0.03 1.43 -0.07 0.00 -1.03 0.00 0.00 54.13 54.49 2h1o s LEU 4 Cb -0.16 -3.37 -0.06 0.00 0.03 0.00 0.00 46.19 42.63 2h1o s LEU 4 CO -0.02 -0.25 0.52 -0.62 0.23 0.00 0.00 176.35 176.20 2h1o s ASP 5 N 0.97 6.53 0.11 2.29 2.15 -1.05 -4.52 116.67 123.14 2h1o s ASP 5 Ca 0.45 0.78 -0.21 0.00 0.43 0.00 0.00 52.55 54.00 2h1o s ASP 5 Cb -0.19 -2.17 -0.05 0.00 -0.30 0.00 0.00 42.92 40.21 2h1o s ASP 5 CO 0.22 -0.10 1.05 0.41 -0.17 0.00 0.00 175.17 176.59 2h1o n THR 6 N -0.41 -0.46 0.30 1.71 -1.04 -1.26 -1.04 114.28 112.08 2h1o n THR 6 Ca -0.01 1.66 0.18 0.00 -2.04 0.00 0.00 64.05 63.83 2h1o n THR 6 Cb 0.53 -2.05 0.89 0.00 -1.82 0.00 0.00 70.33 67.88 2h1o n THR 6 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2h1o h ASN 7 N 0.00 0.00 0.00 8.00 7.08 -1.94 -2.03 115.58 126.69 2h1o h ASN 7 Ca 0.11 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.30 2h1o h ASN 7 Cb 0.28 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.51 2h1o h ASN 7 CO -0.64 0.00 -0.26 0.58 -2.08 0.00 0.00 177.43 175.03 2h1o h VAL 8 N 0.00 0.65 -0.22 6.14 2.07 -1.38 -2.93 116.25 120.59 2h1o h VAL 8 Ca 0.03 -1.55 0.06 0.00 0.82 0.00 0.00 66.70 66.06 2h1o h VAL 8 Cb 0.56 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2h1o h VAL 8 CO -0.00 0.22 0.55 -0.29 0.02 0.00 0.00 177.57 178.07 2h1o h ILE 9 N -1.00 0.11 0.13 4.57 -0.00 -1.47 0.16 117.51 120.00 2h1o h ILE 9 Ca -0.05 0.00 -0.31 0.00 -0.00 0.00 0.00 64.86 64.50 2h1o h ILE 9 Cb 0.56 0.50 -0.00 0.00 -0.00 0.00 0.00 36.82 37.88 2h1o h ILE 9 CO -0.03 0.00 -1.58 0.28 -0.00 0.00 0.00 178.15 176.82 2h1o h SER 10 N 0.00 0.43 -0.91 2.19 0.02 -1.44 -3.40 113.55 110.45 2h1o h SER 10 Ca 0.10 -0.61 0.18 0.00 -0.84 0.00 0.00 61.79 60.62 2h1o h SER 10 Cb 1.19 -0.14 -0.17 0.00 0.14 0.00 0.00 62.40 63.42 2h1o h SER 10 CO -0.00 1.51 -0.24 -0.08 -1.14 0.00 0.00 176.83 176.88 2h1o h GLU 11 N 0.08 -0.01 -0.40 3.45 4.57 -0.48 -0.66 114.58 121.13 2h1o h GLU 11 Ca -0.26 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 57.88 2h1o h GLU 11 Cb 2.03 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.60 2h1o h GLU 11 CO 0.16 -0.00 0.08 -1.35 -1.18 0.00 0.00 179.01 176.72 2h1o h PRO 12 N -0.01 0.60 0.00 0.92 0.11 -1.77 -2.46 132.00 129.39 2h1o h PRO 12 Ca 0.42 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 66.43 2h1o h PRO 12 Cb 0.66 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2h1o h PRO 12 CO -0.93 0.56 0.00 1.28 -0.21 0.00 0.00 178.00 178.70 2h1o n LEU 13 N -4.31 0.53 -4.84 2.35 4.77 -0.27 -4.71 117.00 110.51 2h1o n LEU 13 Ca 0.02 0.64 -0.29 0.00 -0.03 0.00 0.00 56.01 56.35 2h1o n LEU 13 Cb 0.20 -0.58 0.09 0.00 -2.33 0.00 0.00 43.42 40.80 2h1o n LEU 13 CO 0.38 -0.53 0.74 -0.13 -1.33 0.00 0.00 177.39 176.52 2h1o s ARG 14 N -3.27 2.04 0.00 3.23 0.52 -0.92 -5.03 118.95 115.51 2h1o s ARG 14 Ca 0.04 0.39 0.00 0.00 -0.52 0.00 0.00 55.73 55.65 2h1o s ARG 14 Cb 0.09 -1.93 0.00 0.00 0.52 0.00 0.00 34.95 33.63 2h1o s ARG 14 CO 0.35 -1.60 1.00 -2.30 0.02 0.00 0.00 175.30 172.76 2h1o n PRO 15 N -3.38 0.00 -3.38 3.54 -0.02 -1.26 -3.67 135.00 126.84 2h1o n PRO 15 Ca 0.07 0.78 -0.31 0.00 -2.02 0.00 0.00 63.50 62.02 2h1o n PRO 15 Cb 0.58 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.51 2h1o n PRO 15 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2h1o n GLN 16 N -2.56 2.94 -1.66 -0.52 0.00 -1.26 -5.07 117.38 109.26 2h1o n GLN 16 Ca 0.00 -4.62 -0.51 0.00 -0.00 0.00 0.00 57.00 51.86 2h1o n GLN 16 Cb 0.00 -2.33 -0.06 0.00 0.00 0.00 0.00 30.24 27.85 2h1o n GLN 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 2h1o n PRO 17 N 1.15 1.60 -1.69 3.69 -0.04 -1.24 -4.82 135.00 133.64 2h1o n PRO 17 Ca 0.28 0.58 -0.57 0.00 -0.04 0.00 0.00 63.50 63.75 2h1o n PRO 17 Cb 0.38 -2.31 -0.07 0.00 -0.04 0.00 0.00 33.50 31.46 2h1o n PRO 17 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2h1o n ASN 18 N 4.37 2.42 -0.14 3.54 2.85 -1.26 -4.84 115.26 122.21 2h1o n ASN 18 Ca 0.21 1.03 -0.08 0.00 -0.11 0.00 0.00 54.58 55.63 2h1o n ASN 18 Cb 0.22 -1.16 0.01 0.00 1.24 0.00 0.00 39.78 40.09 2h1o n ASN 18 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 2h1o h GLU 19 N 7.67 0.55 -0.89 1.20 -0.00 -1.99 -2.60 114.58 118.52 2h1o h GLU 19 Ca -0.45 -0.03 0.17 0.00 -0.00 0.00 0.00 59.36 59.05 2h1o h GLU 19 Cb 1.32 -0.12 -0.07 0.00 -0.00 0.00 0.00 28.75 29.87 2h1o h GLU 19 CO 0.97 0.36 0.58 -0.09 -0.00 0.00 0.00 179.01 180.83 2h1o h ARG 20 N 0.57 0.53 -0.13 1.06 2.43 -1.88 0.39 114.38 117.35 2h1o h ARG 20 Ca 0.16 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 2h1o h ARG 20 Cb -0.06 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 2h1o h ARG 20 CO -0.04 0.35 -0.31 0.28 -1.51 0.00 0.00 179.97 178.74 2h1o h VAL 21 N 0.55 1.37 -0.33 0.20 2.07 -1.56 -2.52 116.25 116.03 2h1o h VAL 21 Ca 0.46 -1.60 -0.05 0.00 0.82 0.00 0.00 66.70 66.33 2h1o h VAL 21 Cb 0.94 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 2h1o h VAL 21 CO -0.20 0.47 0.01 0.58 0.02 0.00 0.00 177.57 178.45 2h1o h VAL 22 N 0.03 1.19 -0.42 2.57 2.07 -0.97 -1.95 116.25 118.76 2h1o h VAL 22 Ca -0.00 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 2h1o h VAL 22 Cb 0.92 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 2h1o h VAL 22 CO 0.07 0.26 0.15 0.00 0.02 0.00 0.00 177.57 178.07 2h1o h ALA 23 N 1.52 0.54 -0.44 1.67 0.00 -0.92 -2.61 119.26 119.03 2h1o h ALA 23 Ca 0.11 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2h1o h ALA 23 Cb 0.31 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2h1o h ALA 23 CO 0.01 0.17 -0.02 2.35 0.00 0.00 0.00 179.25 181.76 2h1o h TRP 24 N 0.53 0.77 -0.27 0.00 7.01 -1.01 -2.57 115.95 120.42 2h1o h TRP 24 Ca 0.14 -0.11 -0.07 0.00 2.11 0.00 0.00 58.89 60.96 2h1o h TRP 24 Cb 0.22 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.05 2h1o h TRP 24 CO 0.01 0.74 -0.13 -0.07 -2.79 0.00 0.00 178.44 176.19 2h1o h LEU 25 N 0.68 0.45 -0.80 0.65 3.38 -1.19 -2.42 115.31 116.06 2h1o h LEU 25 Ca 0.13 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2h1o h LEU 25 Cb 0.45 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2h1o h LEU 25 CO 0.02 0.61 -0.36 0.44 0.09 0.00 0.00 178.44 179.25 2h1o h ASP 26 N 0.43 0.00 0.00 -0.43 3.32 -1.14 -2.39 116.42 116.21 2h1o h ASP 26 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2h1o h ASP 26 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2h1o h ASP 26 CO 0.03 0.36 0.00 -1.54 -1.72 0.00 0.00 179.24 176.37 2h1o n SER 27 N -3.43 0.67 -4.65 6.45 3.41 -0.91 -4.80 113.62 110.36 2h1o n SER 27 Ca 0.00 -1.88 -0.25 0.00 -0.26 0.00 0.00 58.87 56.49 2h1o n SER 27 Cb 0.53 -0.34 -0.08 0.00 -0.26 0.00 0.00 64.21 64.07 2h1o n SER 27 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2h1o s LEU 28 N -0.28 3.24 -0.34 1.04 1.43 -0.90 -5.07 118.68 117.79 2h1o s LEU 28 Ca 0.00 -0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 52.52 2h1o s LEU 28 Cb 0.00 -1.83 0.04 0.00 0.03 0.00 0.00 46.19 44.43 2h1o s LEU 28 CO 0.00 0.05 0.10 -0.63 0.23 0.00 0.00 176.35 176.10 2h1o s ILE 29 N -2.00 3.69 0.07 -0.59 1.01 -1.26 -5.02 121.20 117.10 2h1o s ILE 29 Ca 0.29 -1.20 -0.14 0.00 0.00 0.00 0.00 60.65 59.60 2h1o s ILE 29 Cb -0.08 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 2h1o s ILE 29 CO 0.19 -0.20 0.75 -0.11 0.00 0.00 0.00 174.94 175.57 2h1o n LEU 30 N 4.79 -0.49 0.00 2.97 7.94 -1.26 0.49 117.00 131.43 2h1o n LEU 30 Ca -0.12 0.86 0.00 0.00 -1.11 0.00 0.00 56.01 55.64 2h1o n LEU 30 Cb 0.44 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 44.27 2h1o n LEU 30 CO 0.31 -0.69 0.46 -0.62 -1.11 0.00 0.00 177.39 175.75 2h1o n GLU 31 N -4.45 0.00 -0.01 1.96 4.71 -1.26 -0.04 120.64 121.55 2h1o n GLU 31 Ca 0.01 0.19 0.10 0.00 -0.01 0.00 0.00 57.16 57.46 2h1o n GLU 31 Cb 0.12 -1.76 -0.15 0.00 -1.01 0.00 0.00 31.44 28.64 2h1o n GLU 31 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2h1o n ASP 32 N -1.17 0.39 -4.75 1.62 -0.08 0.18 -4.94 116.55 107.80 2h1o n ASP 32 Ca 0.00 -0.12 -0.38 0.00 -1.51 0.00 0.00 54.79 52.78 2h1o n ASP 32 Cb 0.26 1.82 -0.06 0.00 2.34 0.00 0.00 41.12 45.48 2h1o n ASP 32 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2h1o s VAL 33 N -3.36 5.13 0.23 5.18 1.01 0.95 -1.01 120.40 128.53 2h1o s VAL 33 Ca -0.06 0.93 0.08 0.00 0.00 0.00 0.00 61.98 62.93 2h1o s VAL 33 Cb 0.13 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 2h1o s VAL 33 CO 0.85 0.40 -0.14 -0.31 0.00 0.00 0.00 175.10 175.90 2h1o s TYR 34 N 0.13 1.86 0.07 5.22 1.51 0.79 -4.94 117.35 121.98 2h1o s TYR 34 Ca 0.25 -0.55 0.07 0.00 -1.01 0.00 0.00 57.07 55.83 2h1o s TYR 34 Cb -0.16 -0.89 -0.03 0.00 -0.11 0.00 0.00 41.96 40.78 2h1o s TYR 34 CO 0.11 0.41 -0.18 -0.51 -1.11 0.00 0.00 175.55 174.27 2h1o s LEU 35 N -3.37 2.23 0.15 -1.29 1.43 -0.57 -1.11 118.68 116.14 2h1o s LEU 35 Ca 0.25 -0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 52.62 2h1o s LEU 35 Cb -0.01 -0.78 -0.07 0.00 0.03 0.00 0.00 46.19 45.37 2h1o s LEU 35 CO 0.09 0.06 0.57 -0.55 0.23 0.00 0.00 176.35 176.75 2h1o s SER 36 N -1.49 6.87 0.27 2.29 0.15 -1.26 0.09 113.70 120.63 2h1o s SER 36 Ca 0.04 1.13 0.01 0.00 0.70 0.00 0.00 55.95 57.83 2h1o s SER 36 Cb -0.09 -2.31 0.60 0.00 -1.71 0.00 0.00 66.02 62.51 2h1o s SER 36 CO 0.02 0.11 1.76 0.00 1.20 0.00 0.00 173.24 176.33 2h1o h ALA 37 N 3.61 1.38 -0.34 5.45 0.00 -1.21 0.31 119.26 128.46 2h1o h ALA 37 Ca -0.49 0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.58 2h1o h ALA 37 Cb 1.19 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 2h1o h ALA 37 CO 0.65 -0.10 -0.10 0.82 0.00 0.00 0.00 179.25 180.53 2h1o h ILE 38 N 0.64 0.63 -0.54 0.00 1.08 -1.93 0.73 117.51 118.13 2h1o h ILE 38 Ca 0.50 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.97 2h1o h ILE 38 Cb 0.74 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 35.10 2h1o h ILE 38 CO -0.38 0.00 0.33 0.74 -0.69 0.00 0.00 178.15 178.15 2h1o h THR 39 N -0.02 1.16 -0.63 -0.27 2.02 -0.87 -1.05 112.91 113.25 2h1o h THR 39 Ca 0.17 -0.36 0.04 0.00 0.77 0.00 0.00 66.41 67.03 2h1o h THR 39 Cb 0.27 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 2h1o h THR 39 CO -0.36 0.16 0.36 0.58 0.37 0.00 0.00 175.52 176.64 2h1o h VAL 40 N 0.72 1.01 0.00 3.16 2.07 -0.03 -0.65 116.25 122.54 2h1o h VAL 40 Ca 0.19 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.50 2h1o h VAL 40 Cb -0.02 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 29.95 2h1o h VAL 40 CO -0.04 0.13 -0.43 0.00 0.02 0.00 0.00 177.57 177.25 2h1o h ALA 41 N 1.31 -0.71 -0.67 1.67 0.00 -0.19 0.27 119.26 120.94 2h1o h ALA 41 Ca 0.27 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.28 2h1o h ALA 41 Cb 0.11 0.77 -0.11 0.00 0.00 0.00 0.00 17.79 18.56 2h1o h ALA 41 CO -0.15 -0.98 0.05 0.93 0.00 0.00 0.00 179.25 179.10 2h1o h GLU 42 N -0.59 0.15 0.42 0.00 5.08 -0.29 0.14 114.58 119.48 2h1o h GLU 42 Ca 0.04 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2h1o h GLU 42 Cb 0.66 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2h1o h GLU 42 CO -0.32 0.10 -0.20 0.52 -1.00 0.00 0.00 179.01 178.10 2h1o h MET 43 N 0.15 -0.55 -0.83 2.33 2.86 -0.20 0.12 114.93 118.82 2h1o h MET 43 Ca 0.36 0.04 0.14 0.00 -2.06 0.00 0.00 59.70 58.18 2h1o h MET 43 Cb 0.61 0.12 -0.06 0.00 0.06 0.00 0.00 31.60 32.33 2h1o h MET 43 CO -0.55 -0.34 0.54 0.00 1.06 0.00 0.00 176.91 177.62 2h1o h ARG 44 N -0.62 0.58 0.11 1.72 2.47 0.54 -1.32 114.38 117.87 2h1o h ARG 44 Ca -0.06 -0.04 -0.28 0.00 -1.26 0.00 0.00 59.98 58.35 2h1o h ARG 44 Cb 0.46 -0.13 0.01 0.00 -1.65 0.00 0.00 29.97 28.66 2h1o h ARG 44 CO 0.10 0.39 -1.20 1.25 0.56 0.00 0.00 179.97 181.07 2h1o h LEU 45 N 0.60 0.61 -2.09 3.04 5.85 -0.55 -2.65 115.31 120.13 2h1o h LEU 45 Ca 0.41 -0.59 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2h1o h LEU 45 Cb 0.72 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 2h1o h LEU 45 CO -0.17 1.43 -0.03 1.23 -0.34 0.00 0.00 178.44 180.56 2h1o h GLY 46 N 1.02 0.00 0.04 3.75 0.00 0.33 -1.62 103.07 106.60 2h1o h GLY 46 Ca -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 2h1o h GLY 46 CO 0.21 0.00 -0.01 -2.08 0.00 0.00 0.00 176.54 174.66 2h1o h VAL 47 N 0.00 0.93 -1.23 4.60 2.07 -1.37 -3.33 116.25 117.92 2h1o h VAL 47 Ca -0.00 -1.64 0.35 0.00 0.82 0.00 0.00 66.70 66.23 2h1o h VAL 47 Cb 0.05 1.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.50 2h1o h VAL 47 CO 0.00 0.31 0.86 0.00 0.02 0.00 0.00 177.57 178.76 2h1o h ALA 48 N -0.45 2.97 0.00 1.67 0.00 -1.08 -0.81 119.26 121.55 2h1o h ALA 48 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2h1o h ALA 48 Cb 0.53 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2h1o h ALA 48 CO 0.00 -1.37 0.00 1.28 0.00 0.00 0.00 179.25 179.17 2h1o n LEU 49 N -4.29 0.00 -4.79 0.00 4.77 -0.64 -4.87 117.00 107.17 2h1o n LEU 49 Ca 0.28 0.24 -0.35 0.00 -0.03 0.00 0.00 56.01 56.16 2h1o n LEU 49 Cb 1.25 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 42.06 2h1o n LEU 49 CO 0.36 -0.02 0.72 -0.76 -1.33 0.00 0.00 177.39 176.36 2h1o s LEU 50 N -2.48 3.92 0.34 2.23 1.43 -0.31 -4.98 118.68 118.82 2h1o s LEU 50 Ca 0.29 1.96 -0.29 0.00 -1.03 0.00 0.00 54.13 55.06 2h1o s LEU 50 Cb 0.19 -4.47 -0.11 0.00 0.03 0.00 0.00 46.19 41.83 2h1o s LEU 50 CO 0.41 -0.71 1.50 -0.76 0.23 0.00 0.00 176.35 177.02 2h1o s LEU 51 N -3.28 4.34 0.03 1.79 1.43 -1.26 -4.87 118.68 116.86 2h1o s LEU 51 Ca 0.65 2.97 -0.31 0.00 -1.03 0.00 0.00 54.13 56.40 2h1o s LEU 51 Cb -0.18 -3.65 -0.10 0.00 0.03 0.00 0.00 46.19 42.29 2h1o s LEU 51 CO 0.22 -0.85 1.92 0.59 0.23 0.00 0.00 176.35 178.46 2h1o n ASN 52 N 1.11 3.97 -0.68 2.29 3.02 -1.26 -4.69 115.26 119.02 2h1o n ASN 52 Ca 0.03 0.94 0.00 0.00 -0.03 0.00 0.00 54.58 55.52 2h1o n ASN 52 Cb 0.39 -1.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.07 2h1o n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2h1o n GLY 53 N 4.44 1.26 0.11 7.41 0.00 -1.26 -5.04 105.19 112.11 2h1o n GLY 53 Ca 0.20 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 2h1o n GLY 53 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2h1o h LYS 54 N 0.00 0.26 -0.65 1.61 3.11 -2.01 -3.15 116.57 115.75 2h1o h LYS 54 Ca 0.00 -0.12 0.13 0.00 -2.81 0.00 0.00 60.65 57.85 2h1o h LYS 54 Cb 0.00 -0.00 -0.10 0.00 -1.00 0.00 0.00 32.23 31.13 2h1o h LYS 54 CO 0.00 0.63 0.13 -0.22 -2.81 0.00 0.00 179.45 177.19 2h1o h LYS 55 N -0.10 0.25 -0.04 1.90 3.64 -1.96 -1.37 116.57 118.87 2h1o h LYS 55 Ca 0.02 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 2h1o h LYS 55 Cb 0.56 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2h1o h LYS 55 CO 0.02 0.16 -0.38 -0.22 -2.27 0.00 0.00 179.45 176.76 2h1o h LYS 56 N 0.25 0.09 -0.18 1.90 3.64 -1.83 -1.98 116.57 118.45 2h1o h LYS 56 Ca 0.35 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.56 2h1o h LYS 56 Cb 0.56 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2h1o h LYS 56 CO -0.45 0.46 -0.40 -0.91 -2.27 0.00 0.00 179.45 175.88 2h1o h ASN 57 N 0.08 0.66 0.21 4.20 4.21 -1.23 -1.66 115.58 122.06 2h1o h ASN 57 Ca 0.01 -0.56 -0.01 0.00 1.21 0.00 0.00 56.30 56.95 2h1o h ASN 57 Cb 0.72 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 2h1o h ASN 57 CO 0.05 1.10 -0.10 0.58 -1.29 0.00 0.00 177.43 177.78 2h1o h VAL 58 N 0.25 0.87 -0.70 2.81 2.07 -1.34 -1.74 116.25 118.47 2h1o h VAL 58 Ca 0.00 -0.55 0.10 0.00 0.82 0.00 0.00 66.70 67.07 2h1o h VAL 58 Cb 1.00 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 31.89 2h1o h VAL 58 CO 0.09 0.12 0.34 0.25 0.02 0.00 0.00 177.57 178.39 2h1o h LEU 59 N -0.56 0.43 -0.86 2.57 5.85 -1.44 0.23 115.31 121.54 2h1o h LEU 59 Ca -0.03 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2h1o h LEU 59 Cb 0.41 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 2h1o h LEU 59 CO 0.05 0.24 0.51 -0.74 -0.34 0.00 0.00 178.44 178.16 2h1o h HIS 60 N 0.57 1.13 0.65 1.25 2.76 -1.21 0.21 115.15 120.51 2h1o h HIS 60 Ca 0.35 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.48 2h1o h HIS 60 Cb 0.39 -0.37 0.01 0.00 1.55 0.00 0.00 27.41 28.98 2h1o h HIS 60 CO -0.12 0.76 -0.31 1.49 -1.30 0.00 0.00 177.93 178.45 2h1o h GLU 61 N 1.18 -0.84 -0.89 5.26 4.81 -0.12 -1.93 114.58 122.05 2h1o h GLU 61 Ca 0.31 0.06 0.21 0.00 -0.13 0.00 0.00 59.36 59.81 2h1o h GLU 61 Cb -0.04 0.19 -0.12 0.00 0.63 0.00 0.00 28.75 29.41 2h1o h GLU 61 CO -0.06 -0.56 0.39 0.00 -0.73 0.00 0.00 179.01 178.06 2h1o h ARG 62 N -1.23 0.40 -0.26 1.92 2.47 -0.57 0.97 114.38 118.08 2h1o h ARG 62 Ca -0.09 -0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.66 2h1o h ARG 62 Cb 0.67 -0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 28.85 2h1o h ARG 62 CO 0.15 0.27 -0.04 1.98 0.56 0.00 0.00 179.97 182.88 2h1o h MET 63 N 0.42 0.03 0.00 0.04 4.05 -0.52 0.32 114.93 119.27 2h1o h MET 63 Ca 0.55 -0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.92 2h1o h MET 63 Cb 1.02 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.80 2h1o h MET 63 CO -0.51 0.02 -1.23 0.39 0.23 0.00 0.00 176.91 175.80 2h1o n GLU 64 N -5.20 0.62 -0.00 0.39 -0.58 -0.22 -2.38 120.64 113.26 2h1o n GLU 64 Ca -0.01 0.11 0.10 0.00 -0.42 0.00 0.00 57.16 56.94 2h1o n GLU 64 Cb 0.14 -1.79 -0.13 0.00 -0.57 0.00 0.00 31.44 29.09 2h1o n GLU 64 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2h1o n GLN 65 N -2.68 0.59 0.00 3.49 1.13 0.32 -4.46 117.38 115.77 2h1o n GLN 65 Ca -0.03 -0.10 0.00 0.00 -1.94 0.00 0.00 57.00 54.93 2h1o n GLN 65 Cb 0.63 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.53 2h1o n GLN 65 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2h1o n SER 66 N -1.86 0.00 0.00 1.08 7.64 0.10 -4.82 113.62 115.77 2h1o n SER 66 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2h1o n SER 66 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 2h1o n SER 66 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2h1o n ILE 67 N -2.35 0.00 -0.22 0.44 5.41 -0.54 -3.43 119.36 118.67 2h1o n ILE 67 Ca 0.00 0.41 0.05 0.00 1.00 0.00 0.00 62.75 64.22 2h1o n ILE 67 Cb 0.00 -1.10 0.11 0.00 -0.71 0.00 0.00 39.64 37.94 2h1o n ILE 67 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2h1o n LEU 68 N 0.00 -0.18 -0.25 1.39 4.77 -1.00 0.26 117.00 121.99 2h1o n LEU 68 Ca 0.00 1.05 0.23 0.00 -0.03 0.00 0.00 56.01 57.26 2h1o n LEU 68 Cb 0.00 -0.34 0.57 0.00 -2.33 0.00 0.00 43.42 41.32 2h1o n LEU 68 CO 0.00 -1.02 1.24 -0.65 -1.33 0.00 0.00 177.39 175.62 2h1o h PRO 69 N 0.00 0.28 0.00 3.23 0.11 -1.78 0.25 132.00 134.09 2h1o h PRO 69 Ca 0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.41 2h1o h PRO 69 Cb 0.54 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.59 2h1o h PRO 69 CO -0.62 0.19 0.00 1.28 -0.21 0.00 0.00 178.00 178.64 2h1o n LEU 70 N -4.46 0.00 -0.05 2.35 4.77 0.14 -0.90 117.00 118.85 2h1o n LEU 70 Ca 0.21 0.37 0.06 0.00 -0.03 0.00 0.00 56.01 56.62 2h1o n LEU 70 Cb 0.82 -0.37 0.09 0.00 -2.33 0.00 0.00 43.42 41.63 2h1o n LEU 70 CO 0.32 -0.34 0.54 0.49 -1.33 0.00 0.00 177.39 177.06 2h1o n PHE 71 N -1.37 0.00 -1.66 -1.77 3.01 0.86 -4.91 117.46 111.62 2h1o n PHE 71 Ca 0.01 -0.80 -0.49 0.00 1.01 0.00 0.00 57.45 57.18 2h1o n PHE 71 Cb 0.02 -0.11 -0.05 0.00 -0.01 0.00 0.00 39.48 39.33 2h1o n PHE 71 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2h1o n ALA 72 N -1.07 0.52 -0.06 4.37 0.00 -0.07 0.21 120.51 124.41 2h1o n ALA 72 Ca 0.10 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2h1o n ALA 72 Cb 0.50 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.64 2h1o n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h1o n GLY 73 N 3.59 2.36 1.09 0.00 0.00 -1.26 -4.82 105.19 106.15 2h1o n GLY 73 Ca 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 2h1o n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h1o n ARG 74 N -2.00 2.26 -3.85 1.61 1.74 0.13 -4.93 116.66 111.62 2h1o n ARG 74 Ca 0.00 -3.58 -0.36 0.00 -0.77 0.00 0.00 57.85 53.14 2h1o n ARG 74 Cb 0.00 -1.84 -0.13 0.00 -1.02 0.00 0.00 32.46 29.46 2h1o n ARG 74 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2h1o s ILE 75 N -3.69 3.29 -0.31 0.55 1.01 -1.19 -1.51 121.20 119.35 2h1o s ILE 75 Ca 0.43 -1.26 -0.25 0.00 0.00 0.00 0.00 60.65 59.56 2h1o s ILE 75 Cb 0.39 -2.87 0.01 0.00 0.01 0.00 0.00 42.46 40.00 2h1o s ILE 75 CO -0.03 -0.12 0.87 -0.76 0.00 0.00 0.00 174.94 174.91 2h1o s LEU 76 N 1.31 4.05 0.57 2.97 1.43 0.11 -4.77 118.68 124.36 2h1o s LEU 76 Ca -0.04 0.76 -0.17 0.00 -1.03 0.00 0.00 54.13 53.65 2h1o s LEU 76 Cb -0.19 -3.21 -0.05 0.00 0.03 0.00 0.00 46.19 42.77 2h1o s LEU 76 CO 0.00 -0.70 1.07 -2.16 0.23 0.00 0.00 176.35 174.80 2h1o s PRO 77 N 3.17 3.37 -1.08 1.29 0.04 -1.26 -0.69 135.00 139.84 2h1o s PRO 77 Ca 0.36 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 2h1o s PRO 77 Cb -0.13 -2.03 0.22 0.00 0.04 0.00 0.00 34.50 32.60 2h1o s PRO 77 CO 0.13 -0.78 1.15 0.12 0.04 0.00 0.00 177.00 177.66 2h1o s PHE 78 N -2.19 3.87 0.72 0.56 5.36 -1.26 -4.91 117.98 120.13 2h1o s PHE 78 Ca 0.67 -2.30 -0.07 0.00 -0.96 0.00 0.00 56.93 54.27 2h1o s PHE 78 Cb -0.18 -4.01 0.08 0.00 -0.34 0.00 0.00 43.02 38.56 2h1o s PHE 78 CO 0.31 -1.14 1.03 0.16 -1.46 0.00 0.00 175.22 174.13 2h1o s ASP 79 N 2.10 4.64 0.24 6.13 1.47 -1.26 -4.91 116.67 125.08 2h1o s ASP 79 Ca 0.32 0.34 -0.06 0.00 1.18 0.00 0.00 52.55 54.33 2h1o s ASP 79 Cb -0.07 -0.92 0.43 0.00 -0.34 0.00 0.00 42.92 42.01 2h1o s ASP 79 CO -0.06 -1.71 1.67 -0.08 0.68 0.00 0.00 175.17 175.68 2h1o h GLU 80 N -0.66 0.21 0.28 2.11 4.22 -2.00 -1.86 114.58 116.87 2h1o h GLU 80 Ca -0.44 -0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.00 2h1o h GLU 80 Cb 1.30 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 2h1o h GLU 80 CO 0.56 0.14 -0.36 -1.35 -2.18 0.00 0.00 179.01 175.82 2h1o h PRO 81 N 0.22 -0.67 -1.07 0.92 0.11 -2.00 -0.84 132.00 128.67 2h1o h PRO 81 Ca 0.40 0.05 0.30 0.00 0.11 0.00 0.00 66.00 66.85 2h1o h PRO 81 Cb 0.68 0.15 -0.06 0.00 0.11 0.00 0.00 31.00 31.88 2h1o h PRO 81 CO -0.53 -0.44 0.74 0.28 -0.21 0.00 0.00 178.00 177.83 2h1o h VAL 82 N -0.69 0.49 -0.38 3.15 2.07 -1.73 0.18 116.25 119.33 2h1o h VAL 82 Ca -0.01 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2h1o h VAL 82 Cb 0.65 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 2h1o h VAL 82 CO -0.12 0.03 0.24 0.00 0.02 0.00 0.00 177.57 177.74 2h1o h ALA 83 N 1.51 0.48 -0.62 1.67 0.00 -0.60 -0.24 119.26 121.45 2h1o h ALA 83 Ca 0.54 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.50 2h1o h ALA 83 Cb 1.86 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 19.43 2h1o h ALA 83 CO -0.11 -0.04 0.25 0.00 0.00 0.00 0.00 179.25 179.36 2h1o h ALA 84 N 1.11 0.82 -0.07 0.00 0.00 -0.47 0.11 119.26 120.76 2h1o h ALA 84 Ca 0.14 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2h1o h ALA 84 Cb -0.02 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2h1o h ALA 84 CO -0.03 -0.16 0.04 0.82 0.00 0.00 0.00 179.25 179.92 2h1o h ILE 85 N 0.45 1.07 -0.69 0.00 2.04 -1.31 -2.45 117.51 116.61 2h1o h ILE 85 Ca 0.31 -0.18 0.14 0.00 1.00 0.00 0.00 64.86 66.13 2h1o h ILE 85 Cb 0.37 1.07 -0.10 0.00 -0.74 0.00 0.00 36.82 37.41 2h1o h ILE 85 CO -0.29 0.06 0.13 0.22 0.00 0.00 0.00 178.15 178.27 2h1o h TYR 86 N 0.04 0.20 -0.91 1.37 3.20 0.20 0.74 116.97 121.81 2h1o h TYR 86 Ca 0.02 0.04 0.13 0.00 3.14 0.00 0.00 58.73 62.07 2h1o h TYR 86 Cb 0.06 0.02 -0.09 0.00 1.54 0.00 0.00 36.73 38.26 2h1o h TYR 86 CO -0.05 -0.09 0.53 0.00 -1.64 0.00 0.00 178.16 176.91 2h1o h ALA 87 N 1.58 1.38 0.05 1.82 0.00 -0.37 -2.43 119.26 121.29 2h1o h ALA 87 Ca 0.38 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 2h1o h ALA 87 Cb 0.62 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.31 2h1o h ALA 87 CO -0.49 0.06 -0.33 -0.56 0.00 0.00 0.00 179.25 177.93 2h1o h GLN 88 N 0.80 0.13 -1.12 0.00 -0.00 -0.72 -2.81 115.11 111.39 2h1o h GLN 88 Ca 0.47 -0.21 0.31 0.00 -0.00 0.00 0.00 58.65 59.23 2h1o h GLN 88 Cb 0.57 0.08 -0.06 0.00 -0.00 0.00 0.00 27.48 28.06 2h1o h GLN 88 CO -0.31 1.08 0.78 0.82 -0.00 0.00 0.00 178.83 181.20 2h1o h ILE 89 N -0.72 0.45 0.06 1.86 2.04 -0.78 0.11 117.51 120.52 2h1o h ILE 89 Ca -0.06 -0.05 -0.26 0.00 1.00 0.00 0.00 64.86 65.50 2h1o h ILE 89 Cb 1.24 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2h1o h ILE 89 CO 0.06 0.02 -1.37 0.03 0.00 0.00 0.00 178.15 176.90 2h1o h ARG 90 N 0.13 0.12 -0.75 2.37 3.08 -1.53 -3.05 114.38 114.76 2h1o h ARG 90 Ca 0.57 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.40 2h1o h ARG 90 Cb 1.98 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 32.08 2h1o h ARG 90 CO -0.12 1.10 0.40 0.66 -1.07 0.00 0.00 179.97 180.95 2h1o h SER 91 N -0.59 0.94 0.07 7.04 4.64 -1.17 -1.90 113.55 122.57 2h1o h SER 91 Ca -0.33 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2h1o h SER 91 Cb 1.56 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2h1o h SER 91 CO -0.06 0.76 -0.03 0.22 -0.87 0.00 0.00 176.83 176.85 2h1o h TYR 92 N 1.05 -0.09 -0.98 4.77 3.20 -0.95 -2.19 116.97 121.77 2h1o h TYR 92 Ca 0.26 -0.00 0.34 0.00 3.14 0.00 0.00 58.73 62.47 2h1o h TYR 92 Cb 0.04 0.03 -0.17 0.00 1.54 0.00 0.00 36.73 38.17 2h1o h TYR 92 CO 0.01 -0.06 0.33 0.00 -1.64 0.00 0.00 178.16 176.81 2h1o h ALA 93 N -1.95 1.70 0.18 1.82 0.00 -1.47 -0.91 119.26 118.63 2h1o h ALA 93 Ca -0.01 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2h1o h ALA 93 Cb 0.07 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2h1o h ALA 93 CO 0.02 -0.73 -0.09 -0.22 0.00 0.00 0.00 179.25 178.23 2h1o h LYS 94 N 0.06 -0.23 -2.00 0.00 3.64 -1.17 -2.00 116.57 114.87 2h1o h LYS 94 Ca 0.72 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 60.10 2h1o h LYS 94 Cb 1.71 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.58 2h1o h LYS 94 CO -0.79 -0.08 -0.03 0.25 -2.27 0.00 0.00 179.45 176.52 2h1o n THR 95 N -5.15 2.00 -1.27 1.00 -2.24 -0.35 -1.84 114.28 106.42 2h1o n THR 95 Ca -0.09 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 2h1o n THR 95 Cb 0.15 -1.52 0.00 0.00 -2.10 0.00 0.00 70.33 66.86 2h1o n THR 95 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2h1o n HIS 96 N 1.62 0.00 0.00 4.78 8.25 -0.91 -5.00 115.22 123.95 2h1o n HIS 96 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2h1o n HIS 96 Cb 0.51 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.64 2h1o n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2h1o n GLY 97 N 0.00 2.10 3.62 -1.41 0.00 -0.77 -5.05 105.19 103.68 2h1o n GLY 97 Ca 0.00 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 2h1o n GLY 97 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2h1o s LYS 98 N 0.00 3.46 0.30 1.61 2.36 -1.24 -4.71 119.74 121.52 2h1o s LYS 98 Ca 0.00 2.19 -0.15 0.00 -2.55 0.00 0.00 55.97 55.46 2h1o s LYS 98 Cb 0.00 -4.30 -0.09 0.00 -1.05 0.00 0.00 37.83 32.40 2h1o s LYS 98 CO 0.00 -1.73 0.72 -2.00 1.55 0.00 0.00 175.35 173.89 2h1o s GLU 99 N 5.71 4.02 -0.07 4.03 2.12 -1.26 -3.93 118.70 129.32 2h1o s GLU 99 Ca 0.96 0.66 0.03 0.00 0.36 0.00 0.00 54.97 56.98 2h1o s GLU 99 Cb -0.36 -2.51 -0.02 0.00 0.26 0.00 0.00 34.13 31.50 2h1o s GLU 99 CO 0.37 0.21 -0.14 0.42 -0.54 0.00 0.00 175.26 175.57 2h1o s ILE 100 N -1.90 3.03 0.15 -3.70 1.01 -1.26 -5.02 121.20 113.51 2h1o s ILE 100 Ca 0.52 -0.72 -0.30 0.00 0.00 0.00 0.00 60.65 60.15 2h1o s ILE 100 Cb -0.11 -2.20 -0.07 0.00 0.01 0.00 0.00 42.46 40.08 2h1o s ILE 100 CO 0.18 0.58 1.18 0.00 0.00 0.00 0.00 174.94 176.88 2h1o s ALA 101 N -0.47 3.41 0.19 9.38 0.00 -1.26 -4.82 121.76 128.19 2h1o s ALA 101 Ca 0.06 0.90 -0.14 0.00 0.00 0.00 0.00 51.96 52.78 2h1o s ALA 101 Cb -0.12 -3.41 0.20 0.00 0.00 0.00 0.00 23.12 19.79 2h1o s ALA 101 CO 0.02 -0.36 1.28 0.00 0.00 0.00 0.00 175.76 176.70 2h1o n ALA 102 N 2.83 -0.09 -0.07 0.00 0.00 -1.26 0.25 120.51 122.17 2h1o n ALA 102 Ca 0.05 0.82 -0.09 0.00 0.00 0.00 0.00 53.44 54.22 2h1o n ALA 102 Cb 0.45 -0.37 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 2h1o n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h1o h ALA 103 N 1.15 -0.33 0.00 0.00 0.00 -2.00 0.33 119.26 118.41 2h1o h ALA 103 Ca 0.29 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 2h1o h ALA 103 Cb 0.49 0.71 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2h1o h ALA 103 CO -0.82 -0.79 -0.03 -0.44 0.00 0.00 0.00 179.25 177.18 2h1o h ASP 104 N -0.34 0.00 0.24 0.00 3.32 -0.58 -1.15 116.42 117.91 2h1o h ASP 104 Ca 0.13 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.00 2h1o h ASP 104 Cb 0.56 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 2h1o h ASP 104 CO -0.47 0.03 -0.71 1.23 -1.72 0.00 0.00 179.24 177.60 2h1o h GLY 105 N 0.13 0.45 0.85 2.75 0.00 0.16 -1.24 103.07 106.17 2h1o h GLY 105 Ca -0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.70 2h1o h GLY 105 CO 0.00 0.56 -0.03 -0.97 0.00 0.00 0.00 176.54 176.11 2h1o h TYR 106 N 0.29 -0.07 0.16 5.60 0.99 0.44 0.21 116.97 124.59 2h1o h TYR 106 Ca -0.03 -0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 2h1o h TYR 106 Cb 1.28 0.02 -0.00 0.00 1.00 0.00 0.00 36.73 39.03 2h1o h TYR 106 CO 0.04 0.10 -0.09 0.82 -0.00 0.00 0.00 178.16 179.04 2h1o h ILE 107 N -0.23 0.82 0.52 -2.88 5.03 -1.45 0.17 117.51 119.49 2h1o h ILE 107 Ca -0.01 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.72 2h1o h ILE 107 Cb 0.20 0.82 -0.02 0.00 -3.03 0.00 0.00 36.82 34.79 2h1o h ILE 107 CO 0.01 0.00 -0.48 0.00 -0.68 0.00 0.00 178.15 177.01 2h1o h ALA 108 N 0.61 -1.15 -0.71 1.87 0.00 -1.14 0.39 119.26 119.13 2h1o h ALA 108 Ca -0.02 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.85 2h1o h ALA 108 Cb 0.18 0.69 -0.13 0.00 0.00 0.00 0.00 17.79 18.53 2h1o h ALA 108 CO 0.03 -1.17 -0.11 0.00 0.00 0.00 0.00 179.25 178.00 2h1o h ALA 109 N -1.00 0.57 0.57 0.00 0.00 -0.50 0.29 119.26 119.18 2h1o h ALA 109 Ca -0.07 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2h1o h ALA 109 Cb 0.84 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2h1o h ALA 109 CO -0.03 -0.42 -0.47 1.15 0.00 0.00 0.00 179.25 179.48 2h1o h THR 110 N 0.04 0.00 -0.51 0.00 2.02 -0.11 -2.54 112.91 111.81 2h1o h THR 110 Ca 0.36 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.63 2h1o h THR 110 Cb 0.58 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.88 2h1o h THR 110 CO -0.69 0.00 -0.37 0.00 0.37 0.00 0.00 175.52 174.83 2h1o h ALA 111 N -1.07 -0.20 -0.48 6.16 0.00 0.48 -2.52 119.26 121.63 2h1o h ALA 111 Ca -0.07 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.05 2h1o h ALA 111 Cb 0.85 0.82 -0.10 0.00 0.00 0.00 0.00 17.79 19.35 2h1o h ALA 111 CO -0.00 -0.75 -0.31 -0.22 0.00 0.00 0.00 179.25 177.96 2h1o h LYS 112 N -0.23 -0.19 -0.92 0.00 3.64 -0.33 -1.07 116.57 117.48 2h1o h LYS 112 Ca 0.19 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.69 2h1o h LYS 112 Cb 0.56 0.04 -0.13 0.00 -0.41 0.00 0.00 32.23 32.30 2h1o h LYS 112 CO -0.63 -0.13 -0.47 0.94 -2.27 0.00 0.00 179.45 176.90 2h1o n GLN 113 N -5.42 -0.33 -0.39 1.90 7.27 -0.95 0.20 117.38 119.66 2h1o n GLN 113 Ca 0.03 1.40 0.03 0.00 0.07 0.00 0.00 57.00 58.53 2h1o n GLN 113 Cb 0.34 -2.06 0.18 0.00 2.41 0.00 0.00 30.24 31.11 2h1o n GLN 113 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2h1o n HIS 114 N -5.23 0.91 -4.20 3.69 8.25 -0.91 -4.91 115.22 112.81 2h1o n HIS 114 Ca 0.05 -0.32 -0.32 0.00 -0.26 0.00 0.00 57.72 56.87 2h1o n HIS 114 Cb 0.29 -0.26 -0.07 0.00 1.12 0.00 0.00 29.99 31.07 2h1o n HIS 114 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2h1o n SER 115 N 0.30 -0.13 -4.98 0.41 3.41 0.53 -4.92 113.62 108.24 2h1o n SER 115 Ca 0.13 -1.23 -0.20 0.00 -0.26 0.00 0.00 58.87 57.30 2h1o n SER 115 Cb 0.65 -1.91 0.03 0.00 -0.26 0.00 0.00 64.21 62.72 2h1o n SER 115 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2h1o s MET 116 N -7.22 2.68 -0.18 4.33 -1.94 -0.49 -4.79 119.30 111.69 2h1o s MET 116 Ca 0.08 -0.86 -0.06 0.00 -1.71 0.00 0.00 55.69 53.15 2h1o s MET 116 Cb -0.04 -2.57 -0.03 0.00 2.01 0.00 0.00 34.83 34.20 2h1o s MET 116 CO 0.97 -0.54 0.02 0.99 -0.01 0.00 0.00 175.02 176.44 2h1o s THR 117 N -2.63 4.25 -0.16 2.05 2.01 -1.00 -4.35 115.64 115.80 2h1o s THR 117 Ca 0.55 -0.22 -0.23 0.00 0.31 0.00 0.00 61.69 62.10 2h1o s THR 117 Cb -0.10 -2.91 -0.02 0.00 0.01 0.00 0.00 72.50 69.48 2h1o s THR 117 CO 0.37 0.45 0.73 -0.69 -0.69 0.00 0.00 174.62 174.80 2h1o s VAL 118 N 0.63 4.96 -0.41 3.82 1.01 -0.75 -0.66 120.40 128.99 2h1o s VAL 118 Ca 0.00 1.43 -0.17 0.00 0.00 0.00 0.00 61.98 63.25 2h1o s VAL 118 Cb -0.14 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.21 2h1o s VAL 118 CO 0.02 0.10 0.39 0.00 0.00 0.00 0.00 175.10 175.61 2h1o s ALA 119 N 1.84 3.45 0.06 5.51 0.00 -0.34 -1.38 121.76 130.89 2h1o s ALA 119 Ca 0.35 -1.56 -0.13 0.00 0.00 0.00 0.00 51.96 50.61 2h1o s ALA 119 Cb -0.16 -3.00 0.02 0.00 0.00 0.00 0.00 23.12 19.98 2h1o s ALA 119 CO 0.13 -1.53 0.29 -0.08 0.00 0.00 0.00 175.76 174.57 2h1o s THR 120 N 2.00 0.09 -0.16 0.00 -1.32 -0.87 -2.53 115.64 112.84 2h1o s THR 120 Ca 0.10 -0.77 0.16 0.00 -1.21 0.00 0.00 61.69 59.97 2h1o s THR 120 Cb -0.18 -1.04 0.02 0.00 -1.51 0.00 0.00 72.50 69.79 2h1o s THR 120 CO 0.12 -0.42 1.26 -0.09 -2.21 0.00 0.00 174.62 173.28 2h1o h ARG 121 N 3.03 0.00 -3.58 7.08 2.43 -1.93 -3.36 114.38 118.05 2h1o h ARG 121 Ca -0.32 0.00 -0.78 0.00 -0.81 0.00 0.00 59.98 58.06 2h1o h ARG 121 Cb 1.21 0.00 -0.29 0.00 -0.42 0.00 0.00 29.97 30.47 2h1o h ARG 121 CO 0.48 0.40 0.31 0.34 -1.51 0.00 0.00 179.97 179.98 2h1o s ASP 122 N -6.20 7.02 0.09 -3.80 -1.08 -1.26 -4.72 116.67 106.72 2h1o s ASP 122 Ca 0.02 -3.45 0.14 0.00 -0.52 0.00 0.00 52.55 48.74 2h1o s ASP 122 Cb 0.08 -2.16 -0.13 0.00 -1.46 0.00 0.00 42.92 39.25 2h1o s ASP 122 CO 0.76 -0.32 0.96 0.71 0.52 0.00 0.00 175.17 177.80 2h1o h THR 123 N 3.93 0.78 -0.32 1.71 1.35 -1.95 -3.36 112.91 115.05 2h1o h THR 123 Ca 0.16 -2.35 0.09 0.00 -0.55 0.00 0.00 66.41 63.76 2h1o h THR 123 Cb 0.90 2.28 -0.01 0.00 -1.73 0.00 0.00 68.15 69.58 2h1o h THR 123 CO 0.94 0.45 0.85 1.23 -0.25 0.00 0.00 175.52 178.74 2h1o h GLY 124 N 3.55 0.00 0.00 5.82 0.00 -1.95 -2.00 103.07 108.49 2h1o h GLY 124 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 2h1o h GLY 124 CO 0.07 0.00 -1.15 -1.26 0.00 0.00 0.00 176.54 174.20 2h1o n SER 125 N -2.92 1.89 -0.33 0.19 2.88 -1.26 -4.59 113.62 109.48 2h1o n SER 125 Ca 0.07 0.45 0.13 0.00 -1.33 0.00 0.00 58.87 58.19 2h1o n SER 125 Cb 0.96 -0.83 0.32 0.00 -0.75 0.00 0.00 64.21 63.91 2h1o n SER 125 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 2h1o h PHE 126 N -1.00 0.89 -0.48 0.66 -1.00 -1.59 -0.28 116.94 114.15 2h1o h PHE 126 Ca -0.17 0.04 0.12 0.00 2.81 0.00 0.00 57.97 60.76 2h1o h PHE 126 Cb 0.99 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 40.28 2h1o h PHE 126 CO -0.22 0.10 0.33 0.27 -1.61 0.00 0.00 178.31 177.18 2h1o h PHE 127 N 0.58 0.13 0.00 -0.55 -0.00 -1.70 0.77 116.94 116.18 2h1o h PHE 127 Ca 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.55 2h1o h PHE 127 Cb 1.00 -0.04 0.00 0.00 -0.00 0.00 0.00 35.95 36.91 2h1o h PHE 127 CO -0.06 0.06 0.00 0.00 -0.00 0.00 0.00 178.31 178.31 2h1o n ALA 128 N -2.59 1.88 0.28 12.09 0.00 -0.12 -2.23 120.51 129.82 2h1o n ALA 128 Ca 0.08 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2h1o n ALA 128 Cb 0.47 -1.28 0.21 0.00 0.00 0.00 0.00 19.45 18.85 2h1o n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h1o n ALA 129 N -1.36 2.41 -2.67 0.00 0.00 0.27 -4.42 120.51 114.74 2h1o n ALA 129 Ca 0.07 -1.00 -0.20 0.00 0.00 0.00 0.00 53.44 52.31 2h1o n ALA 129 Cb 0.16 -0.84 0.01 0.00 0.00 0.00 0.00 19.45 18.78 2h1o n ALA 129 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2h1o n ASP 130 N 1.45 -5.61 -4.45 0.00 9.92 -0.95 -4.94 116.55 111.98 2h1o n ASP 130 Ca 0.19 -0.15 -0.31 0.00 -0.53 0.00 0.00 54.79 53.99 2h1o n ASP 130 Cb 0.60 -4.54 -0.13 0.00 -0.64 0.00 0.00 41.12 36.41 2h1o n ASP 130 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2h1o s VAL 131 N -3.04 2.74 0.31 2.53 1.01 -1.25 -5.06 120.40 117.64 2h1o s VAL 131 Ca 0.15 -1.19 -0.29 0.00 0.00 0.00 0.00 61.98 60.65 2h1o s VAL 131 Cb -0.06 -2.14 -0.10 0.00 0.00 0.00 0.00 36.38 34.07 2h1o s VAL 131 CO 0.18 0.35 1.26 0.00 0.00 0.00 0.00 175.10 176.89 2h1o s ALA 132 N -0.91 3.48 0.11 5.51 0.00 -1.26 -4.41 121.76 124.28 2h1o s ALA 132 Ca 0.14 1.16 0.04 0.00 0.00 0.00 0.00 51.96 53.30 2h1o s ALA 132 Cb -0.10 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 2h1o s ALA 132 CO 0.05 -0.52 -0.10 0.14 0.00 0.00 0.00 175.76 175.33 2h1o s VAL 133 N -1.06 1.00 -0.09 0.00 -7.23 -1.26 -1.81 120.40 109.95 2h1o s VAL 133 Ca 0.48 -1.76 -0.04 0.00 -1.81 0.00 0.00 61.98 58.85 2h1o s VAL 133 Cb -0.38 -1.50 0.05 0.00 0.56 0.00 0.00 36.38 35.10 2h1o s VAL 133 CO 0.49 -0.61 0.21 0.12 -0.31 0.00 0.00 175.10 175.00 2h1o s PHE 134 N -2.71 -0.27 -0.43 2.82 5.36 -0.48 -4.92 117.98 117.35 2h1o s PHE 134 Ca 0.09 0.69 -0.11 0.00 -0.96 0.00 0.00 56.93 56.64 2h1o s PHE 134 Cb -0.01 -0.02 0.07 0.00 -0.34 0.00 0.00 43.02 42.72 2h1o s PHE 134 CO -0.00 -0.22 0.29 1.21 -1.46 0.00 0.00 175.22 175.04 2h1o s ASN 135 N 1.38 5.78 0.00 6.13 3.84 -1.26 -2.05 114.94 128.77 2h1o s ASN 135 Ca -0.08 -1.40 0.16 0.00 0.21 0.00 0.00 52.86 51.75 2h1o s ASN 135 Cb -0.11 -2.04 0.95 0.00 -0.55 0.00 0.00 41.25 39.50 2h1o s ASN 135 CO -0.08 -0.55 1.41 -0.81 -2.79 0.00 0.00 177.10 174.28 2h1o n PRO 136 N 5.00 0.46 0.07 0.43 -0.04 -1.26 -1.27 135.00 138.38 2h1o n PRO 136 Ca -0.11 0.03 -0.02 0.00 -0.04 0.00 0.00 63.50 63.36 2h1o n PRO 136 Cb 0.43 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.33 2h1o n PRO 136 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2h1o h TRP 137 N 0.00 0.00 -2.62 0.54 6.55 -1.91 -3.31 115.95 115.20 2h1o h TRP 137 Ca 0.00 0.00 -0.45 0.00 0.95 0.00 0.00 58.89 59.39 2h1o h TRP 137 Cb 0.03 0.00 0.07 0.00 -0.86 0.00 0.00 29.16 28.40 2h1o h TRP 137 CO 0.00 0.72 0.06 -1.01 -1.05 0.00 0.00 178.44 177.16 2h1o s HIS 138 N -2.84 2.44 0.30 0.49 3.76 -0.40 -4.94 115.29 114.11 2h1o s HIS 138 Ca 0.00 -0.02 -0.06 0.00 -0.15 0.00 0.00 55.06 54.84 2h1o s HIS 138 Cb 0.09 -2.92 -0.05 0.00 1.11 0.00 0.00 32.58 30.80 2h1o s HIS 138 CO 0.79 -1.26 0.58 -0.51 -0.85 0.00 0.00 174.74 173.50 2h1o s LEU 139 N -4.98 4.03 -0.07 0.89 1.43 -1.26 -4.96 118.68 113.76 2h1o s LEU 139 Ca 0.61 0.78 -0.16 0.00 -1.03 0.00 0.00 54.13 54.32 2h1o s LEU 139 Cb -0.09 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 2h1o s LEU 139 CO 0.42 -0.22 0.44 -1.61 0.23 0.00 0.00 176.35 175.60 2h1o s GLU 140 N -3.55 4.16 0.04 1.70 0.41 -1.26 -4.95 118.70 115.26 2h1o s GLU 140 Ca 0.45 0.41 0.00 0.00 -0.41 0.00 0.00 54.97 55.42 2h1o s GLU 140 Cb -0.11 -3.34 0.00 0.00 -1.78 0.00 0.00 34.13 28.90 2h1o s GLU 140 CO 0.30 0.40 0.00 0.72 -0.49 0.00 0.00 175.26 176.18 2h1o n HIS 141 N 2.84 -0.17 -3.38 1.61 8.25 -1.26 -5.10 115.22 118.02 2h1o n HIS 141 Ca -0.10 0.03 -0.27 0.00 -0.26 0.00 0.00 57.72 57.12 2h1o n HIS 141 Cb 0.52 0.10 0.03 0.00 1.12 0.00 0.00 29.99 31.76 2h1o n HIS 141 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2h1o n HIS 142 N -3.09 -1.79 -0.55 4.41 1.44 -1.26 -5.38 115.22 109.00 2h1o n HIS 142 Ca 0.00 0.75 0.00 0.00 -2.01 0.00 0.00 57.72 56.46 2h1o n HIS 142 Cb 0.27 -1.48 0.00 0.00 0.12 0.00 0.00 29.99 28.90 2h1o n HIS 142 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25