#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o1o s HIS 2 N 0.00 -0.54 0.29 3.17 2.46 -1.26 -4.53 115.29 114.87 1o1o s HIS 2 Ca 0.00 1.17 0.11 0.00 0.47 0.00 0.00 55.06 56.81 1o1o s HIS 2 Cb 0.00 0.20 -0.05 0.00 -0.13 0.00 0.00 32.58 32.60 1o1o s HIS 2 CO 0.00 -0.33 -0.13 -0.51 -2.47 0.00 0.00 174.74 171.30 1o1o s LEU 3 N 1.55 2.78 0.69 8.88 1.43 -1.26 -5.12 118.68 127.63 1o1o s LEU 3 Ca -0.08 -0.95 -0.13 0.00 -1.03 0.00 0.00 54.13 51.95 1o1o s LEU 3 Cb -0.09 -1.26 0.01 0.00 0.03 0.00 0.00 46.19 44.87 1o1o s LEU 3 CO -0.11 -0.01 1.08 0.42 0.23 0.00 0.00 176.35 177.95 1o1o s THR 4 N -2.47 3.64 0.32 5.49 -4.23 -1.26 -4.83 115.64 112.30 1o1o s THR 4 Ca 0.31 0.62 0.08 0.00 -1.18 0.00 0.00 61.69 61.52 1o1o s THR 4 Cb -0.04 -3.20 0.31 0.00 1.34 0.00 0.00 72.50 70.90 1o1o s THR 4 CO 0.17 -0.61 1.78 -0.65 -0.54 0.00 0.00 174.62 174.77 1o1o h PRO 5 N -0.45 0.69 -0.51 3.99 0.11 -2.00 0.82 132.00 134.64 1o1o h PRO 5 Ca -0.45 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1o1o h PRO 5 Cb 1.22 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1o1o h PRO 5 CO 0.55 0.45 0.18 0.93 -0.21 0.00 0.00 178.00 179.90 1o1o h GLU 6 N 0.71 0.78 -0.49 1.05 3.07 -1.99 -1.50 114.58 116.21 1o1o h GLU 6 Ca 0.58 -0.16 -0.11 0.00 -0.50 0.00 0.00 59.36 59.17 1o1o h GLU 6 Cb 0.97 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 1o1o h GLU 6 CO -0.37 0.72 -0.13 0.93 -1.40 0.00 0.00 179.01 178.76 1o1o h GLU 7 N 0.69 0.95 -0.39 2.33 5.08 -1.45 -2.15 114.58 119.65 1o1o h GLU 7 Ca 0.17 -0.37 -0.14 0.00 -1.00 0.00 0.00 59.36 58.02 1o1o h GLU 7 Cb 0.25 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1o1o h GLU 7 CO -0.01 1.04 -0.32 -0.22 -1.00 0.00 0.00 179.01 178.50 1o1o h LYS 8 N 0.81 0.86 -0.27 2.33 3.64 -0.87 -1.82 116.57 121.26 1o1o h LYS 8 Ca 0.12 -0.41 -0.10 0.00 -1.27 0.00 0.00 60.65 59.00 1o1o h LYS 8 Cb 0.69 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1o1o h LYS 8 CO 0.05 1.05 -0.24 1.03 -2.27 0.00 0.00 179.45 179.08 1o1o h SER 9 N 0.72 0.51 -0.78 4.20 0.87 -1.23 -1.78 113.55 116.08 1o1o h SER 9 Ca 0.08 -0.17 -0.05 0.00 -1.23 0.00 0.00 61.79 60.42 1o1o h SER 9 Cb 0.88 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.67 1o1o h SER 9 CO 0.08 0.75 0.30 0.00 -0.53 0.00 0.00 176.83 177.43 1o1o h ALA 10 N 1.30 1.06 -0.00 6.23 0.00 -1.22 -2.16 119.26 124.46 1o1o h ALA 10 Ca 0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1o1o h ALA 10 Cb 0.66 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1o1o h ALA 10 CO 0.05 0.66 -0.01 0.28 0.00 0.00 0.00 179.25 180.23 1o1o h VAL 11 N 1.14 1.49 -0.09 0.00 2.07 -0.88 -3.12 116.25 116.86 1o1o h VAL 11 Ca 0.26 -1.43 -0.13 0.00 0.82 0.00 0.00 66.70 66.22 1o1o h VAL 11 Cb 0.22 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 1o1o h VAL 11 CO -0.02 0.37 -0.52 0.71 0.02 0.00 0.00 177.57 178.13 1o1o h THR 12 N -0.60 1.35 0.15 2.57 1.35 -1.39 -1.95 112.91 114.40 1o1o h THR 12 Ca -0.00 -1.79 -0.01 0.00 -0.55 0.00 0.00 66.41 64.07 1o1o h THR 12 Cb 0.61 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1o1o h THR 12 CO 0.00 0.53 -0.07 0.00 -0.25 0.00 0.00 175.52 175.73 1o1o h ALA 13 N 1.27 -0.21 -0.54 6.62 0.00 -1.46 -2.54 119.26 122.40 1o1o h ALA 13 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1o1o h ALA 13 Cb 0.98 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1o1o h ALA 13 CO 0.08 -0.50 0.22 1.25 0.00 0.00 0.00 179.25 180.30 1o1o h LEU 14 N -0.43 0.70 -1.40 0.00 5.85 -1.51 -2.66 115.31 115.86 1o1o h LEU 14 Ca -0.02 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 1o1o h LEU 14 Cb 0.34 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1o1o h LEU 14 CO 0.03 0.63 -0.30 -0.25 -0.34 0.00 0.00 178.44 178.22 1o1o h TRP 15 N 0.77 0.00 -0.00 1.25 2.91 -1.20 -1.87 115.95 117.81 1o1o h TRP 15 Ca 0.19 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.21 1o1o h TRP 15 Cb 0.14 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.79 1o1o h TRP 15 CO 0.01 0.30 0.05 0.78 -1.03 0.00 0.00 178.44 178.54 1o1o h GLY 16 N 1.07 0.00 -1.42 2.65 0.00 -1.08 -1.74 103.07 102.56 1o1o h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1o1o h GLY 16 CO 0.04 0.00 -0.16 0.28 0.00 0.00 0.00 176.54 176.70 1o1o n LYS 17 N -3.06 1.75 -2.93 4.80 5.02 -0.71 -4.95 118.16 118.09 1o1o n LYS 17 Ca -0.03 -1.46 -0.41 0.00 -2.02 0.00 0.00 58.31 54.39 1o1o n LYS 17 Cb 0.11 -1.41 -0.04 0.00 -0.02 0.00 0.00 35.03 33.68 1o1o n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1o1o s VAL 18 N -1.96 4.95 -0.55 -0.18 1.01 -0.66 -5.00 120.40 118.01 1o1o s VAL 18 Ca 0.22 1.62 -0.24 0.00 0.00 0.00 0.00 61.98 63.57 1o1o s VAL 18 Cb 0.17 -4.12 0.04 0.00 0.00 0.00 0.00 36.38 32.47 1o1o s VAL 18 CO 0.36 0.15 0.96 0.21 0.00 0.00 0.00 175.10 176.78 1o1o s ASN 19 N 0.98 6.35 0.35 3.32 2.47 -1.26 -4.90 114.94 122.24 1o1o s ASN 19 Ca 0.40 -0.31 0.07 0.00 0.42 0.00 0.00 52.86 53.44 1o1o s ASN 19 Cb -0.18 -2.45 0.75 0.00 -1.45 0.00 0.00 41.25 37.92 1o1o s ASN 19 CO 0.18 -1.25 1.90 0.58 -3.72 0.00 0.00 177.10 174.79 1o1o h VAL 20 N 6.03 0.93 0.38 -5.21 2.07 -1.94 -1.23 116.25 117.27 1o1o h VAL 20 Ca -0.26 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1o1o h VAL 20 Cb 1.07 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1o1o h VAL 20 CO 1.10 0.14 -0.29 0.44 0.02 0.00 0.00 177.57 178.97 1o1o h ASP 21 N 0.77 -0.77 -0.18 0.57 3.32 -1.90 0.15 116.42 118.38 1o1o h ASP 21 Ca 0.39 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.47 1o1o h ASP 21 Cb 0.49 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1o1o h ASP 21 CO -0.16 -0.44 -0.02 1.05 -1.72 0.00 0.00 179.24 177.94 1o1o h GLU 22 N -0.67 0.33 -0.48 3.56 -0.00 -1.74 -2.54 114.58 113.03 1o1o h GLU 22 Ca -0.03 -0.12 -0.12 0.00 -0.00 0.00 0.00 59.36 59.09 1o1o h GLU 22 Cb 0.58 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 29.29 1o1o h GLU 22 CO -0.01 0.57 -0.17 0.28 -0.00 0.00 0.00 179.01 179.68 1o1o h VAL 23 N 0.06 1.27 -0.74 -1.06 2.07 -1.27 -2.38 116.25 114.20 1o1o h VAL 23 Ca 0.05 -1.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.21 1o1o h VAL 23 Cb 0.44 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1o1o h VAL 23 CO 0.01 0.46 0.34 1.23 0.02 0.00 0.00 177.57 179.63 1o1o h GLY 24 N 0.82 1.15 1.01 2.17 0.00 -0.66 0.24 103.07 107.80 1o1o h GLY 24 Ca 0.12 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 1o1o h GLY 24 CO 0.06 0.55 0.16 -1.33 0.00 0.00 0.00 176.54 175.98 1o1o h GLY 25 N 1.04 0.99 1.08 4.60 0.00 -1.40 -2.07 103.07 107.32 1o1o h GLY 25 Ca 0.25 -0.61 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 1o1o h GLY 25 CO -0.03 0.57 -0.10 -2.09 0.00 0.00 0.00 176.54 174.89 1o1o h GLU 26 N 0.84 1.00 -0.27 4.80 4.57 -1.05 -2.17 114.58 122.29 1o1o h GLU 26 Ca 0.19 -0.37 -0.04 0.00 -1.18 0.00 0.00 59.36 57.96 1o1o h GLU 26 Cb 0.32 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1o1o h GLU 26 CO -0.00 1.05 0.03 0.00 -1.18 0.00 0.00 179.01 178.92 1o1o h ALA 27 N 0.92 0.37 -0.53 2.92 0.00 -0.82 -0.49 119.26 121.62 1o1o h ALA 27 Ca 0.14 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1o1o h ALA 27 Cb 0.67 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1o1o h ALA 27 CO 0.05 0.07 0.06 1.25 0.00 0.00 0.00 179.25 180.68 1o1o h LEU 28 N 0.27 0.86 -0.52 0.00 5.85 -1.39 -1.27 115.31 119.10 1o1o h LEU 28 Ca 0.08 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1o1o h LEU 28 Cb 0.36 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1o1o h LEU 28 CO 0.01 0.91 0.25 1.23 -0.34 0.00 0.00 178.44 180.50 1o1o h GLY 29 N 0.77 0.80 1.52 3.75 0.00 -1.29 -1.44 103.07 107.18 1o1o h GLY 29 Ca 0.16 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 1o1o h GLY 29 CO 0.01 0.38 -0.14 3.21 0.00 0.00 0.00 176.54 180.01 1o1o h ARG 30 N 0.69 0.58 -0.50 4.80 3.08 -1.01 -1.16 114.38 120.86 1o1o h ARG 30 Ca 0.18 -0.18 0.04 0.00 0.07 0.00 0.00 59.98 60.09 1o1o h ARG 30 Cb 0.12 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 1o1o h ARG 30 CO -0.02 0.70 0.25 1.25 -1.07 0.00 0.00 179.97 181.08 1o1o h LEU 31 N 0.53 0.37 -1.26 3.04 5.85 -0.82 0.19 115.31 123.20 1o1o h LEU 31 Ca 0.09 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 1o1o h LEU 31 Cb 0.54 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1o1o h LEU 31 CO 0.03 0.26 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.04 1o1o h LEU 32 N 0.50 0.00 0.13 2.25 3.38 -0.71 -1.48 115.31 119.38 1o1o h LEU 32 Ca 0.22 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.93 1o1o h LEU 32 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1o1o h LEU 32 CO -0.15 0.28 -1.28 0.58 0.09 0.00 0.00 178.44 177.96 1o1o h VAL 33 N 0.00 1.15 0.01 1.22 2.07 -0.84 -3.29 116.25 116.56 1o1o h VAL 33 Ca -0.00 -2.44 -0.23 0.00 0.82 0.00 0.00 66.70 64.85 1o1o h VAL 33 Cb 0.69 2.84 -0.03 0.00 -1.52 0.00 0.00 31.29 33.27 1o1o h VAL 33 CO 0.04 0.71 -1.13 0.58 0.02 0.00 0.00 177.57 177.78 1o1o h VAL 34 N -0.30 1.56 -2.31 2.57 2.07 -0.59 -3.36 116.25 115.88 1o1o h VAL 34 Ca -0.27 -3.29 -0.59 0.00 0.82 0.00 0.00 66.70 63.38 1o1o h VAL 34 Cb 1.75 2.78 -0.41 0.00 -1.52 0.00 0.00 31.29 33.89 1o1o h VAL 34 CO 0.09 0.89 -0.75 -1.22 0.02 0.00 0.00 177.57 176.60 1o1o n TYR 35 N -3.31 2.21 0.18 1.57 4.01 -0.56 -4.98 117.16 116.29 1o1o n TYR 35 Ca -0.03 -3.97 0.06 0.00 -0.16 0.00 0.00 57.90 53.80 1o1o n TYR 35 Cb 0.96 -0.45 0.30 0.00 -0.31 0.00 0.00 39.34 39.84 1o1o n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1o1o n PRO 36 N 1.34 0.07 0.23 -0.72 -0.04 -1.24 -0.81 135.00 133.83 1o1o n PRO 36 Ca 0.26 0.49 0.16 0.00 -0.04 0.00 0.00 63.50 64.37 1o1o n PRO 36 Cb 0.44 -1.69 0.68 0.00 -0.04 0.00 0.00 33.50 32.88 1o1o n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 1o1o h TRP 37 N 0.00 0.00 0.00 0.54 0.09 -1.91 -2.07 115.95 112.60 1o1o h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1o1o h TRP 37 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.33 1o1o h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1o1o n THR 38 N -2.77 0.85 0.36 0.12 -2.24 0.01 -2.28 114.28 108.34 1o1o n THR 38 Ca 0.01 0.20 0.07 0.00 -2.27 0.00 0.00 64.05 62.06 1o1o n THR 38 Cb 0.24 -1.01 0.30 0.00 -2.10 0.00 0.00 70.33 67.76 1o1o n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o1o n GLN 39 N -1.80 0.04 0.33 -0.78 6.02 -0.78 -3.05 117.38 117.37 1o1o n GLN 39 Ca 0.03 0.36 0.22 0.00 -0.01 0.00 0.00 57.00 57.60 1o1o n GLN 39 Cb 0.21 -1.60 1.16 0.00 1.02 0.00 0.00 30.24 31.04 1o1o n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1o1o h ARG 40 N 0.00 0.00 -0.02 -1.09 0.11 -1.67 -1.71 114.38 110.00 1o1o h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1o1o h ARG 40 Cb 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 1o1o h ARG 40 CO 0.00 0.00 -0.02 1.19 0.10 0.00 0.00 179.97 181.24 1o1o n PHE 41 N -3.05 0.00 -2.25 4.08 3.72 -1.17 -4.47 117.46 114.32 1o1o n PHE 41 Ca -0.03 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.27 1o1o n PHE 41 Cb 0.09 -0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.68 1o1o n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1o1o n PHE 42 N 0.75 1.67 0.04 1.38 3.72 -0.64 -4.86 117.46 119.51 1o1o n PHE 42 Ca 0.16 -1.94 0.04 0.00 -0.05 0.00 0.00 57.45 55.66 1o1o n PHE 42 Cb 0.48 -0.28 0.44 0.00 -0.94 0.00 0.00 39.48 39.18 1o1o n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1o1o h GLU 43 N 2.03 0.46 -0.02 -1.08 4.39 -1.78 -1.47 114.58 117.11 1o1o h GLU 43 Ca 0.11 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1o1o h GLU 43 Cb 1.42 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1o1o h GLU 43 CO 0.42 0.33 0.00 -1.13 -1.16 0.00 0.00 179.01 177.47 1o1o n SER 44 N -4.46 0.19 -0.05 1.42 3.41 -1.26 -3.67 113.62 109.20 1o1o n SER 44 Ca 0.02 -1.48 0.13 0.00 -0.26 0.00 0.00 58.87 57.28 1o1o n SER 44 Cb 0.08 -0.01 0.43 0.00 -0.26 0.00 0.00 64.21 64.45 1o1o n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1o1o n PHE 45 N -0.65 0.00 -1.29 7.33 3.01 -0.55 -5.03 117.46 120.28 1o1o n PHE 45 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.59 1o1o n PHE 45 Cb 0.09 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.28 1o1o n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1o1o n GLY 46 N 1.44 0.74 3.58 1.37 0.00 -1.24 -4.79 105.19 106.29 1o1o n GLY 46 Ca 0.08 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 1o1o n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1o1o s ASP 47 N -4.00 5.98 -0.10 1.61 2.15 -1.26 -4.84 116.67 116.22 1o1o s ASP 47 Ca 0.00 0.72 0.14 0.00 0.43 0.00 0.00 52.55 53.84 1o1o s ASP 47 Cb 0.00 -2.54 0.22 0.00 -0.30 0.00 0.00 42.92 40.30 1o1o s ASP 47 CO 0.00 -1.74 1.11 0.18 -0.17 0.00 0.00 175.17 174.55 1o1o n LEU 48 N 10.07 1.84 0.12 -1.34 4.77 -1.26 -4.02 117.00 127.17 1o1o n LEU 48 Ca 0.18 -2.60 -0.01 0.00 -0.03 0.00 0.00 56.01 53.55 1o1o n LEU 48 Cb 0.49 -0.32 0.26 0.00 -2.33 0.00 0.00 43.42 41.52 1o1o n LEU 48 CO 0.70 0.60 0.67 0.77 -1.33 0.00 0.00 177.39 178.81 1o1o h SER 49 N 0.00 0.19 -4.04 -1.43 4.64 -1.94 -3.43 113.55 107.53 1o1o h SER 49 Ca 0.00 -0.07 -0.34 0.00 -0.47 0.00 0.00 61.79 60.91 1o1o h SER 49 Cb 1.06 -0.05 -0.16 0.00 -0.31 0.00 0.00 62.40 62.94 1o1o h SER 49 CO 0.00 0.56 -0.72 0.42 -0.87 0.00 0.00 176.83 176.22 1o1o s THR 50 N -4.18 1.16 0.19 2.95 -4.23 -1.26 -5.03 115.64 105.24 1o1o s THR 50 Ca -0.04 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 58.41 1o1o s THR 50 Cb 0.14 -1.71 0.13 0.00 1.34 0.00 0.00 72.50 72.40 1o1o s THR 50 CO 0.76 -0.66 1.70 -0.65 -0.54 0.00 0.00 174.62 175.23 1o1o h PRO 51 N 3.03 0.19 -0.29 3.99 0.11 -1.98 0.18 132.00 137.24 1o1o h PRO 51 Ca -0.37 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.67 1o1o h PRO 51 Cb 1.19 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1o1o h PRO 51 CO 0.60 0.12 -0.06 -0.44 -0.21 0.00 0.00 178.00 178.01 1o1o h ASP 52 N 0.19 0.44 0.06 -2.05 3.32 -1.98 0.31 116.42 116.71 1o1o h ASP 52 Ca 0.27 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1o1o h ASP 52 Cb 0.39 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1o1o h ASP 52 CO -0.38 0.55 -0.03 0.00 -1.72 0.00 0.00 179.24 177.66 1o1o h ALA 53 N 1.51 -0.08 -0.46 3.45 0.00 -1.58 -2.01 119.26 120.07 1o1o h ALA 53 Ca 0.09 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1o1o h ALA 53 Cb 0.38 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1o1o h ALA 53 CO 0.02 -0.41 0.14 0.28 0.00 0.00 0.00 179.25 179.28 1o1o h VAL 54 N -0.35 0.82 0.00 0.00 2.07 -0.06 -1.65 116.25 117.08 1o1o h VAL 54 Ca -0.01 -0.10 -0.13 0.00 0.82 0.00 0.00 66.70 67.28 1o1o h VAL 54 Cb 0.31 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1o1o h VAL 54 CO 0.01 0.06 -0.60 0.24 0.02 0.00 0.00 177.57 177.30 1o1o h MET 55 N 0.31 0.00 -0.24 1.57 2.07 -0.36 -2.73 114.93 115.54 1o1o h MET 55 Ca 0.22 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.85 1o1o h MET 55 Cb 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.98 1o1o h MET 55 CO -0.25 0.60 0.00 0.41 1.07 0.00 0.00 176.91 178.74 1o1o n GLY 56 N 0.49 0.77 3.67 8.32 0.00 -0.76 -4.90 105.19 112.78 1o1o n GLY 56 Ca -0.00 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 1o1o n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1o1o s ASN 57 N -1.53 6.98 0.40 1.61 3.84 -0.63 -4.91 114.94 120.70 1o1o s ASN 57 Ca 0.34 1.71 0.13 0.00 0.21 0.00 0.00 52.86 55.24 1o1o s ASN 57 Cb 0.19 -2.54 0.83 0.00 -0.55 0.00 0.00 41.25 39.17 1o1o s ASN 57 CO 0.28 -0.70 1.90 1.55 -2.79 0.00 0.00 177.10 177.33 1o1o h PRO 58 N 7.95 0.05 0.00 0.43 0.13 -1.90 -2.44 132.00 136.21 1o1o h PRO 58 Ca -0.28 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 64.70 1o1o h PRO 58 Cb 1.12 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1o1o h PRO 58 CO 0.94 0.31 -0.63 0.87 -0.23 0.00 0.00 178.00 179.26 1o1o h LYS 59 N 0.04 0.00 -0.32 0.86 1.57 -1.91 -1.33 116.57 115.48 1o1o h LYS 59 Ca 0.01 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1o1o h LYS 59 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1o1o h LYS 59 CO 0.04 0.63 -0.02 0.28 -0.57 0.00 0.00 179.45 179.81 1o1o h VAL 60 N 0.00 1.26 -0.76 0.50 2.07 -1.80 -0.42 116.25 117.10 1o1o h VAL 60 Ca -0.01 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 1o1o h VAL 60 Cb 1.20 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 1o1o h VAL 60 CO 0.08 0.32 0.34 0.11 0.02 0.00 0.00 177.57 178.45 1o1o h LYS 61 N 0.37 1.10 -0.14 1.57 1.57 -1.28 0.19 116.57 119.96 1o1o h LYS 61 Ca 0.09 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 1o1o h LYS 61 Cb 0.47 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1o1o h LYS 61 CO 0.02 0.87 -0.29 0.00 -0.57 0.00 0.00 179.45 179.47 1o1o h ALA 62 N 1.28 0.22 -0.35 3.86 0.00 -1.14 -2.24 119.26 120.89 1o1o h ALA 62 Ca 0.26 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1o1o h ALA 62 Cb 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1o1o h ALA 62 CO -0.03 0.24 -0.21 1.25 0.00 0.00 0.00 179.25 180.50 1o1o h HIS 63 N 0.05 0.76 0.00 0.00 -0.00 -0.94 -2.32 115.15 112.70 1o1o h HIS 63 Ca 0.00 -0.16 0.03 0.00 -0.00 0.00 0.00 60.37 60.24 1o1o h HIS 63 Cb 0.89 -0.19 -0.05 0.00 -0.00 0.00 0.00 27.41 28.07 1o1o h HIS 63 CO 0.10 0.83 -0.28 0.78 -0.00 0.00 0.00 177.93 179.37 1o1o h GLY 64 N 0.98 -0.43 1.01 5.26 0.00 -0.55 -0.97 103.07 108.38 1o1o h GLY 64 Ca 0.09 0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.78 1o1o h GLY 64 CO 0.05 -0.22 0.58 1.70 0.00 0.00 0.00 176.54 178.65 1o1o h LYS 65 N -0.42 1.06 -0.31 4.80 3.64 -1.24 -1.03 116.57 123.06 1o1o h LYS 65 Ca 0.06 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1o1o h LYS 65 Cb 0.50 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1o1o h LYS 65 CO -0.24 0.70 0.07 -0.22 -2.27 0.00 0.00 179.45 177.49 1o1o h LYS 66 N 1.10 0.50 0.05 1.90 3.64 -0.92 -0.27 116.57 122.57 1o1o h LYS 66 Ca 0.35 -0.13 -0.23 0.00 -1.27 0.00 0.00 60.65 59.37 1o1o h LYS 66 Cb 0.02 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1o1o h LYS 66 CO -0.10 0.58 -1.04 1.37 -2.27 0.00 0.00 179.45 177.99 1o1o h LEU 67 N 0.34 0.30 -0.96 5.20 8.10 -0.80 -2.54 115.31 124.95 1o1o h LEU 67 Ca 0.10 -0.28 -0.03 0.00 0.11 0.00 0.00 57.88 57.78 1o1o h LEU 67 Cb 0.31 -0.09 -0.00 0.00 -0.44 0.00 0.00 40.66 40.43 1o1o h LEU 67 CO 0.00 1.16 -0.12 0.25 -4.11 0.00 0.00 178.44 175.62 1o1o h LEU 68 N 0.09 0.00 -0.48 0.17 5.85 -1.18 0.41 115.31 120.16 1o1o h LEU 68 Ca -0.07 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 1o1o h LEU 68 Cb 1.73 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.74 1o1o h LEU 68 CO 0.16 0.12 0.09 1.23 -0.34 0.00 0.00 178.44 179.70 1o1o h GLY 69 N 2.52 0.86 1.51 3.75 0.00 -0.85 0.20 103.07 111.06 1o1o h GLY 69 Ca -0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 46.66 1o1o h GLY 69 CO 0.02 0.52 -0.27 0.00 0.00 0.00 0.00 176.54 176.81 1o1o h ALA 70 N 0.97 1.01 -0.37 3.60 0.00 -1.03 -1.99 119.26 121.46 1o1o h ALA 70 Ca 0.15 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1o1o h ALA 70 Cb 0.38 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1o1o h ALA 70 CO 0.01 0.59 0.22 0.35 0.00 0.00 0.00 179.25 180.41 1o1o h PHE 71 N 0.49 0.49 -0.49 0.00 3.57 -0.65 -2.66 116.94 117.69 1o1o h PHE 71 Ca 0.07 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.62 1o1o h PHE 71 Cb 0.72 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.25 1o1o h PHE 71 CO 0.03 0.36 0.20 1.03 -2.23 0.00 0.00 178.31 177.69 1o1o h SER 72 N 0.47 0.23 -0.06 0.41 0.87 -0.20 -1.70 113.55 113.57 1o1o h SER 72 Ca 0.13 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.67 1o1o h SER 72 Cb 0.02 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1o1o h SER 72 CO -0.02 0.16 -0.16 0.44 -0.53 0.00 0.00 176.83 176.71 1o1o h ASP 73 N 0.39 0.40 0.01 6.23 5.19 -1.22 -0.94 116.42 126.49 1o1o h ASP 73 Ca 0.23 -0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1o1o h ASP 73 Cb 0.22 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.62 1o1o h ASP 73 CO -0.22 0.59 -0.01 1.23 -3.12 0.00 0.00 179.24 177.71 1o1o h GLY 74 N 0.92 0.00 2.00 2.75 0.00 -0.97 -0.02 103.07 107.75 1o1o h GLY 74 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1o1o h GLY 74 CO 0.03 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.98 1o1o h LEU 75 N 0.00 0.00 -0.55 3.11 3.38 -0.74 -1.61 115.31 118.90 1o1o h LEU 75 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1o1o h LEU 75 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1o1o h LEU 75 CO 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 178.44 178.27 1o1o n ALA 76 N -1.80 3.08 -2.56 1.53 0.00 -0.02 -4.10 120.51 116.64 1o1o n ALA 76 Ca 0.01 -0.42 -0.12 0.00 0.00 0.00 0.00 53.44 52.91 1o1o n ALA 76 Cb 0.18 -1.11 0.03 0.00 0.00 0.00 0.00 19.45 18.54 1o1o n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1o1o n HIS 77 N -0.57 1.91 0.33 0.00 8.25 -0.61 -4.91 115.22 119.62 1o1o n HIS 77 Ca 0.12 -2.54 0.22 0.00 -0.26 0.00 0.00 57.72 55.27 1o1o n HIS 77 Cb 0.36 -0.27 1.19 0.00 1.12 0.00 0.00 29.99 32.39 1o1o n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1o1o h LEU 78 N 2.64 0.00 0.00 2.41 3.38 -1.70 -0.26 115.31 121.78 1o1o h LEU 78 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1o1o h LEU 78 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1o1o h LEU 78 CO 0.51 0.00 -0.11 0.47 0.09 0.00 0.00 178.44 179.41 1o1o n ASP 79 N -3.04 0.11 -2.88 -0.43 9.92 -1.26 -4.24 116.55 114.72 1o1o n ASP 79 Ca -0.03 0.34 -0.12 0.00 -0.53 0.00 0.00 54.79 54.45 1o1o n ASP 79 Cb 0.08 -0.34 0.04 0.00 -0.64 0.00 0.00 41.12 40.26 1o1o n ASP 79 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1o1o n ASN 80 N -1.50 -1.48 -0.16 -2.24 2.85 -0.11 -4.88 115.26 107.73 1o1o n ASN 80 Ca 0.07 -3.39 -0.07 0.00 -0.11 0.00 0.00 54.58 51.08 1o1o n ASN 80 Cb 0.34 1.10 0.09 0.00 1.24 0.00 0.00 39.78 42.55 1o1o n ASN 80 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1o1o h LEU 81 N 3.26 0.91 -0.42 1.20 3.38 -1.72 -1.36 115.31 120.56 1o1o h LEU 81 Ca -0.05 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.73 1o1o h LEU 81 Cb 1.04 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 1o1o h LEU 81 CO 0.28 0.97 0.17 0.11 0.09 0.00 0.00 178.44 180.06 1o1o h LYS 82 N 0.86 0.34 -0.34 1.13 1.57 -1.90 -0.73 116.57 117.50 1o1o h LYS 82 Ca 0.16 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 1o1o h LYS 82 Cb 0.51 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1o1o h LYS 82 CO 0.03 0.22 -0.23 0.78 -0.57 0.00 0.00 179.45 179.68 1o1o h GLY 83 N 0.35 0.71 1.11 3.86 0.00 -1.90 -2.70 103.07 104.50 1o1o h GLY 83 Ca 0.19 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 46.83 1o1o h GLY 83 CO -0.18 0.54 -0.03 -0.84 0.00 0.00 0.00 176.54 176.03 1o1o h THR 84 N 0.58 1.27 -0.63 4.70 2.02 -0.64 -3.25 112.91 116.95 1o1o h THR 84 Ca 0.08 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 66.08 1o1o h THR 84 Cb 0.70 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1o1o h THR 84 CO 0.05 0.43 0.00 0.49 0.37 0.00 0.00 175.52 176.86 1o1o n PHE 85 N -4.17 0.89 -0.23 3.16 3.72 -0.34 -4.57 117.46 115.91 1o1o n PHE 85 Ca 0.03 -0.51 -0.04 0.00 -0.05 0.00 0.00 57.45 56.88 1o1o n PHE 85 Cb 0.36 -0.02 0.07 0.00 -0.94 0.00 0.00 39.48 38.95 1o1o n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1o1o h ALA 86 N 3.71 0.87 -0.25 4.37 0.00 -1.51 0.45 119.26 126.90 1o1o h ALA 86 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1o1o h ALA 86 Cb 0.96 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1o1o h ALA 86 CO 0.02 0.18 -0.13 1.15 0.00 0.00 0.00 179.25 180.46 1o1o h THR 87 N 0.82 1.30 -0.10 0.00 2.02 -1.85 -1.85 112.91 113.25 1o1o h THR 87 Ca 0.27 -1.22 -0.07 0.00 0.77 0.00 0.00 66.41 66.16 1o1o h THR 87 Cb 0.01 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1o1o h THR 87 CO -0.10 0.38 -0.23 -0.07 0.37 0.00 0.00 175.52 175.87 1o1o h LEU 88 N 0.26 0.17 0.13 2.58 3.38 -1.79 -1.93 115.31 118.11 1o1o h LEU 88 Ca 0.05 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1o1o h LEU 88 Cb 0.65 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1o1o h LEU 88 CO 0.04 0.41 -0.06 -1.28 0.09 0.00 0.00 178.44 177.64 1o1o h SER 89 N 0.16 -0.15 -1.00 -0.43 0.87 0.28 -0.94 113.55 112.34 1o1o h SER 89 Ca 0.03 -0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1o1o h SER 89 Cb 0.51 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.45 1o1o h SER 89 CO 0.04 -0.00 0.66 -0.33 -0.53 0.00 0.00 176.83 176.66 1o1o h GLU 90 N -0.29 1.29 -0.45 2.24 5.08 -1.10 -1.53 114.58 119.82 1o1o h GLU 90 Ca -0.02 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1o1o h GLU 90 Cb 0.23 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1o1o h GLU 90 CO 0.03 0.85 0.29 1.25 -1.00 0.00 0.00 179.01 180.43 1o1o h LEU 91 N 1.33 0.49 -1.24 1.33 5.85 -1.24 0.16 115.31 122.00 1o1o h LEU 91 Ca 0.38 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 59.02 1o1o h LEU 91 Cb -0.11 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1o1o h LEU 91 CO -0.09 0.35 -0.35 0.45 -0.34 0.00 0.00 178.44 178.46 1o1o h HIS 92 N 0.59 0.00 0.02 1.25 3.86 -0.37 -1.65 115.15 118.84 1o1o h HIS 92 Ca 0.17 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1o1o h HIS 92 Cb -0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.43 1o1o h HIS 92 CO -0.05 0.35 -0.01 0.00 0.86 0.00 0.00 177.93 179.08 1o1o h ASP 94 N -0.97 0.10 0.00 0.00 3.32 -0.72 -3.00 116.42 115.15 1o1o h ASP 94 Ca -0.00 -0.12 -0.39 0.00 0.02 0.00 0.00 57.03 56.53 1o1o h ASP 94 Cb 0.02 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.47 1o1o h ASP 94 CO 0.00 1.10 -2.40 0.29 -1.72 0.00 0.00 179.24 176.51 1o1o n LYS 95 N -3.36 0.57 0.09 3.56 4.76 -0.84 -4.68 118.16 118.26 1o1o n LYS 95 Ca -0.04 0.19 0.04 0.00 -2.87 0.00 0.00 58.31 55.62 1o1o n LYS 95 Cb 0.97 -1.45 -0.02 0.00 -1.84 0.00 0.00 35.03 32.69 1o1o n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1o1o h LEU 96 N -0.43 0.00 -1.24 -0.35 3.38 -1.43 -3.48 115.31 111.76 1o1o h LEU 96 Ca -0.59 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 56.99 1o1o h LEU 96 Cb 1.71 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.58 1o1o h LEU 96 CO -0.23 0.42 -0.73 1.41 0.09 0.00 0.00 178.44 179.39 1o1o n HIS 97 N -2.96 -2.49 -3.27 1.13 8.25 -0.65 -4.97 115.22 110.27 1o1o n HIS 97 Ca -0.04 0.96 -0.40 0.00 -0.26 0.00 0.00 57.72 57.99 1o1o n HIS 97 Cb 0.74 -4.89 -0.08 0.00 1.12 0.00 0.00 29.99 26.88 1o1o n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1o1o s VAL 98 N -3.37 5.08 0.04 1.59 1.01 -0.50 -5.03 120.40 119.22 1o1o s VAL 98 Ca 0.33 0.73 -0.32 0.00 0.00 0.00 0.00 61.98 62.72 1o1o s VAL 98 Cb -0.15 -3.82 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 1o1o s VAL 98 CO 0.75 0.05 1.89 -0.67 0.00 0.00 0.00 175.10 177.12 1o1o n ASP 99 N 5.53 3.90 0.09 3.32 -0.08 -1.26 -4.77 116.55 123.28 1o1o n ASP 99 Ca -0.05 0.95 0.07 0.00 -1.51 0.00 0.00 54.79 54.25 1o1o n ASP 99 Cb 0.50 -1.49 0.36 0.00 2.34 0.00 0.00 41.12 42.83 1o1o n ASP 99 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1o1o n PRO 100 N 6.53 0.09 0.11 -0.67 -0.02 -1.26 -1.33 135.00 138.45 1o1o n PRO 100 Ca 0.20 0.52 0.15 0.00 -2.02 0.00 0.00 63.50 62.36 1o1o n PRO 100 Cb 0.36 -1.75 0.67 0.00 -0.02 0.00 0.00 33.50 32.76 1o1o n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1o1o h GLU 101 N 0.00 0.00 0.00 -0.52 4.57 -1.99 -0.51 114.58 116.13 1o1o h GLU 101 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1o1o h GLU 101 Cb 0.08 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1o1o h GLU 101 CO 0.00 0.00 -0.02 -0.91 -1.18 0.00 0.00 179.01 176.90 1o1o h ASN 102 N 0.00 0.00 -0.11 1.04 2.35 -1.58 -2.07 115.58 115.20 1o1o h ASN 102 Ca 0.15 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.76 1o1o h ASN 102 Cb 0.60 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 1o1o h ASN 102 CO -0.00 0.02 -0.40 -0.26 -1.65 0.00 0.00 177.43 175.14 1o1o h PHE 103 N 0.00 0.77 -0.35 1.19 0.04 -1.28 -1.16 116.94 116.14 1o1o h PHE 103 Ca -0.00 -0.23 -0.13 0.00 2.80 0.00 0.00 57.97 60.41 1o1o h PHE 103 Cb 0.04 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 1o1o h PHE 103 CO 0.00 0.94 -0.29 0.00 -0.60 0.00 0.00 178.31 178.37 1o1o h ARG 104 N 0.53 0.82 -0.33 1.51 3.08 -1.45 -1.12 114.38 117.43 1o1o h ARG 104 Ca 0.04 -0.41 -0.00 0.00 0.07 0.00 0.00 59.98 59.68 1o1o h ARG 104 Cb 0.92 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 1o1o h ARG 104 CO 0.08 1.04 0.19 -0.07 -1.07 0.00 0.00 179.97 180.14 1o1o h LEU 105 N 0.61 0.40 -1.12 3.04 3.38 -1.28 -1.74 115.31 118.60 1o1o h LEU 105 Ca 0.06 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1o1o h LEU 105 Cb 0.86 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1o1o h LEU 105 CO 0.07 0.35 0.50 0.25 0.09 0.00 0.00 178.44 179.71 1o1o h LEU 106 N 0.41 0.97 -0.36 1.67 5.85 -1.12 -1.10 115.31 121.64 1o1o h LEU 106 Ca 0.12 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.86 1o1o h LEU 106 Cb 0.03 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.76 1o1o h LEU 106 CO -0.02 0.74 -0.04 1.23 -0.34 0.00 0.00 178.44 180.00 1o1o h GLY 107 N 1.14 0.31 1.60 3.75 0.00 -0.51 0.12 103.07 109.48 1o1o h GLY 107 Ca 0.30 0.08 -0.16 0.00 0.00 0.00 0.00 47.33 47.55 1o1o h GLY 107 CO -0.06 -0.11 -0.58 3.43 0.00 0.00 0.00 176.54 179.22 1o1o h ASN 108 N 0.05 0.47 -0.52 0.19 2.35 -0.72 -1.71 115.58 115.69 1o1o h ASN 108 Ca 0.17 -0.26 -0.12 0.00 -0.55 0.00 0.00 56.30 55.55 1o1o h ASN 108 Cb 0.25 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1o1o h ASN 108 CO -0.33 0.95 -0.13 0.58 -1.65 0.00 0.00 177.43 176.85 1o1o h VAL 109 N 0.32 1.27 -0.70 2.81 2.07 -0.81 -2.05 116.25 119.15 1o1o h VAL 109 Ca -0.00 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.25 1o1o h VAL 109 Cb 1.11 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 1o1o h VAL 109 CO 0.10 0.45 0.45 0.25 0.02 0.00 0.00 177.57 178.84 1o1o h LEU 110 N 0.88 0.76 -0.92 2.57 5.85 -0.47 0.09 115.31 124.06 1o1o h LEU 110 Ca 0.13 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1o1o h LEU 110 Cb 0.70 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 1o1o h LEU 110 CO 0.05 0.53 0.61 0.58 -0.34 0.00 0.00 178.44 179.88 1o1o h VAL 111 N 0.90 1.22 -0.93 1.05 2.07 -1.11 -0.33 116.25 119.12 1o1o h VAL 111 Ca 0.27 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1o1o h VAL 111 Cb -0.03 -0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 29.57 1o1o h VAL 111 CO -0.09 0.23 0.56 0.00 0.02 0.00 0.00 177.57 178.29 1o1o h VAL 113 N 1.28 1.27 -0.62 0.00 2.07 -0.32 -0.06 116.25 119.87 1o1o h VAL 113 Ca 0.33 -1.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 1o1o h VAL 113 Cb -0.05 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1o1o h VAL 113 CO -0.06 0.42 0.25 -0.07 0.02 0.00 0.00 177.57 178.13 1o1o h LEU 114 N 0.78 0.86 -0.88 2.57 3.38 -0.86 0.92 115.31 122.07 1o1o h LEU 114 Ca 0.13 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1o1o h LEU 114 Cb 0.63 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1o1o h LEU 114 CO 0.04 0.79 0.58 0.00 0.09 0.00 0.00 178.44 179.94 1o1o h ALA 115 N 1.10 1.14 -0.38 1.53 0.00 -1.19 0.18 119.26 121.64 1o1o h ALA 115 Ca 0.21 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1o1o h ALA 115 Cb 0.20 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1o1o h ALA 115 CO -0.02 0.48 -0.21 1.25 0.00 0.00 0.00 179.25 180.76 1o1o h HIS 116 N 1.16 0.95 -0.18 0.00 -0.00 -0.46 -1.51 115.15 115.11 1o1o h HIS 116 Ca 0.33 -0.24 -0.17 0.00 -0.00 0.00 0.00 60.37 60.30 1o1o h HIS 116 Cb -0.08 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.12 1o1o h HIS 116 CO -0.01 1.00 -0.53 1.25 -0.00 0.00 0.00 177.93 179.64 1o1o h HIS 117 N 0.62 0.89 0.00 5.26 6.17 -0.53 -3.36 115.15 124.20 1o1o h HIS 117 Ca 0.08 -0.35 0.00 0.00 0.71 0.00 0.00 60.37 60.81 1o1o h HIS 117 Cb 0.77 -0.15 0.00 0.00 2.52 0.00 0.00 27.41 30.54 1o1o h HIS 117 CO 0.06 1.15 -0.97 1.19 0.71 0.00 0.00 177.93 180.07 1o1o n PHE 118 N -4.13 0.00 -1.61 5.26 3.72 0.62 -5.04 117.46 116.27 1o1o n PHE 118 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1o1o n PHE 118 Cb 0.61 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 1o1o n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1o1o n GLY 119 N 1.46 3.28 0.32 1.37 0.00 -0.57 -2.50 105.19 108.56 1o1o n GLY 119 Ca 0.03 -0.18 0.21 0.00 0.00 0.00 0.00 46.02 46.08 1o1o n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1o1o h LYS 120 N 0.00 0.00 0.00 1.61 5.09 -1.96 -0.63 116.57 120.68 1o1o h LYS 120 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.73 1o1o h LYS 120 Cb 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.33 1o1o h LYS 120 CO 0.00 0.01 -0.06 1.49 -2.09 0.00 0.00 179.45 178.80 1o1o h GLU 121 N 0.00 0.00 -3.99 0.07 4.81 -1.89 -3.28 114.58 110.31 1o1o h GLU 121 Ca -0.00 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.49 1o1o h GLU 121 Cb 0.05 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.31 1o1o h GLU 121 CO 0.00 0.06 2.28 0.34 -0.73 0.00 0.00 179.01 180.95 1o1o n PHE 122 N -3.22 3.50 -1.39 0.92 7.35 -0.24 -4.94 117.46 119.43 1o1o n PHE 122 Ca -0.00 -2.92 -0.30 0.00 -0.76 0.00 0.00 57.45 53.47 1o1o n PHE 122 Cb 0.29 -2.21 0.10 0.00 0.35 0.00 0.00 39.48 38.01 1o1o n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1o1o s THR 123 N 1.64 3.03 0.24 -2.13 -4.23 -1.24 -4.69 115.64 108.26 1o1o s THR 123 Ca 0.43 0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 61.23 1o1o s THR 123 Cb 0.09 -2.95 0.21 0.00 1.34 0.00 0.00 72.50 71.18 1o1o s THR 123 CO -0.02 -0.44 1.75 -0.65 -0.54 0.00 0.00 174.62 174.73 1o1o h PRO 124 N -1.23 0.50 -0.22 3.99 0.11 -1.93 0.11 132.00 133.32 1o1o h PRO 124 Ca -0.47 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 1o1o h PRO 124 Cb 1.26 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1o1o h PRO 124 CO 0.56 0.33 -0.22 -1.35 -0.21 0.00 0.00 178.00 177.11 1o1o h PRO 125 N 0.51 0.40 -0.43 1.05 0.11 -1.99 -1.21 132.00 130.43 1o1o h PRO 125 Ca 0.40 -0.14 -0.14 0.00 0.11 0.00 0.00 66.00 66.24 1o1o h PRO 125 Cb 0.56 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 1o1o h PRO 125 CO -0.36 0.61 -0.27 0.28 -0.21 0.00 0.00 178.00 178.05 1o1o h VAL 126 N 0.36 1.27 -0.54 3.15 2.07 -1.60 -1.98 116.25 118.97 1o1o h VAL 126 Ca 0.06 -1.43 0.02 0.00 0.82 0.00 0.00 66.70 66.17 1o1o h VAL 126 Cb 0.59 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1o1o h VAL 126 CO 0.04 0.49 0.34 -0.61 0.02 0.00 0.00 177.57 177.84 1o1o h GLN 127 N 0.79 0.65 -0.86 1.57 4.15 -0.57 -1.84 115.11 119.00 1o1o h GLN 127 Ca 0.09 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.49 1o1o h GLN 127 Cb 0.84 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.34 1o1o h GLN 127 CO 0.07 0.43 0.57 0.00 -1.93 0.00 0.00 178.83 177.97 1o1o h ALA 128 N 1.23 1.42 -0.53 3.38 0.00 -0.91 0.21 119.26 124.06 1o1o h ALA 128 Ca 0.21 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1o1o h ALA 128 Cb -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1o1o h ALA 128 CO -0.08 0.52 0.11 0.00 0.00 0.00 0.00 179.25 179.80 1o1o h ALA 129 N 1.48 0.70 -0.24 0.00 0.00 -0.99 -2.60 119.26 117.61 1o1o h ALA 129 Ca 0.32 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1o1o h ALA 129 Cb -0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1o1o h ALA 129 CO -0.08 0.41 -0.37 1.88 0.00 0.00 0.00 179.25 181.10 1o1o h TYR 130 N 0.75 0.62 -0.84 0.00 0.05 -0.33 -2.50 116.97 114.73 1o1o h TYR 130 Ca 0.16 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1o1o h TYR 130 Cb 0.37 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 37.93 1o1o h TYR 130 CO 0.03 0.83 0.53 1.96 -1.05 0.00 0.00 178.16 180.46 1o1o h GLN 131 N 0.45 1.12 -0.39 4.88 1.08 -0.53 0.14 115.11 121.85 1o1o h GLN 131 Ca 0.05 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 1o1o h GLN 131 Cb 0.85 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 28.01 1o1o h GLN 131 CO 0.07 0.76 0.15 0.87 -0.95 0.00 0.00 178.83 179.73 1o1o h LYS 132 N 1.14 0.59 -0.25 1.46 1.57 -1.19 -2.38 116.57 117.51 1o1o h LYS 132 Ca 0.30 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1o1o h LYS 132 Cb -0.10 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1o1o h LYS 132 CO -0.06 0.56 0.11 0.28 -0.57 0.00 0.00 179.45 179.77 1o1o h VAL 133 N 0.49 1.16 0.00 0.50 2.07 -0.98 -1.11 116.25 118.37 1o1o h VAL 133 Ca 0.13 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 1o1o h VAL 133 Cb 0.19 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1o1o h VAL 133 CO -0.01 0.16 -0.39 -0.37 0.02 0.00 0.00 177.57 176.98 1o1o h VAL 134 N 0.27 1.14 -0.36 2.57 -1.51 -0.69 -0.35 116.25 117.32 1o1o h VAL 134 Ca 0.09 -1.40 -0.15 0.00 -1.23 0.00 0.00 66.70 64.01 1o1o h VAL 134 Cb 0.15 1.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.08 1o1o h VAL 134 CO -0.01 0.38 -0.36 0.00 -1.23 0.00 0.00 177.57 176.35 1o1o h ALA 135 N 1.61 0.68 -0.60 5.19 0.00 -1.23 -0.77 119.26 124.13 1o1o h ALA 135 Ca -0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 1o1o h ALA 135 Cb 0.75 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1o1o h ALA 135 CO 0.05 0.67 0.07 0.78 0.00 0.00 0.00 179.25 180.82 1o1o h GLY 136 N 0.88 1.10 0.93 0.00 0.00 -0.67 0.09 103.07 105.39 1o1o h GLY 136 Ca 0.06 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.57 1o1o h GLY 136 CO 0.09 0.69 -0.06 -2.08 0.00 0.00 0.00 176.54 175.18 1o1o h VAL 137 N 0.92 1.27 -0.78 4.60 2.07 -1.01 -0.65 116.25 122.67 1o1o h VAL 137 Ca 0.18 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.63 1o1o h VAL 137 Cb 0.46 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1o1o h VAL 137 CO 0.02 0.36 0.51 0.00 0.02 0.00 0.00 177.57 178.47 1o1o h ALA 138 N 0.83 1.00 -0.15 1.67 0.00 -0.97 -0.17 119.26 121.47 1o1o h ALA 138 Ca 0.09 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1o1o h ALA 138 Cb 0.54 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1o1o h ALA 138 CO 0.03 0.36 -0.33 -0.97 0.00 0.00 0.00 179.25 178.34 1o1o h ASN 139 N 1.01 0.31 -0.57 0.00 -1.24 -0.80 -1.64 115.58 112.65 1o1o h ASN 139 Ca 0.30 -0.11 -0.10 0.00 0.71 0.00 0.00 56.30 57.09 1o1o h ASN 139 Cb -0.06 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 38.88 1o1o h ASN 139 CO -0.08 0.63 -0.03 0.00 -1.29 0.00 0.00 177.43 176.66 1o1o h ALA 140 N 1.39 0.77 0.00 1.57 0.00 -0.49 -2.54 119.26 119.97 1o1o h ALA 140 Ca 0.03 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1o1o h ALA 140 Cb 0.71 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1o1o h ALA 140 CO 0.05 0.63 -0.19 -0.07 0.00 0.00 0.00 179.25 179.68 1o1o h LEU 141 N 0.92 0.00 -0.81 0.00 3.38 -0.70 -2.98 115.31 115.12 1o1o h LEU 141 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1o1o h LEU 141 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1o1o h LEU 141 CO 0.04 0.19 -0.21 0.00 0.09 0.00 0.00 178.44 178.54 1o1o n ALA 142 N -2.22 2.98 -0.16 1.53 0.00 -0.65 -4.50 120.51 117.49 1o1o n ALA 142 Ca -0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 53.44 52.91 1o1o n ALA 142 Cb 0.38 -1.06 0.12 0.00 0.00 0.00 0.00 19.45 18.89 1o1o n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1o1o h HIS 143 N 1.97 0.98 -0.48 0.00 6.17 -1.30 -2.64 115.15 119.85 1o1o h HIS 143 Ca 0.00 -0.13 0.00 0.00 0.71 0.00 0.00 60.37 60.95 1o1o h HIS 143 Cb 0.58 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 30.24 1o1o h HIS 143 CO 0.00 0.85 0.00 1.63 0.71 0.00 0.00 177.93 181.12 1o1o n LYS 144 N -4.22 3.27 -2.40 5.26 4.76 -1.26 -4.91 118.16 118.66 1o1o n LYS 144 Ca 0.04 -2.21 -0.37 0.00 -2.87 0.00 0.00 58.31 52.89 1o1o n LYS 144 Cb 0.29 -1.82 -0.03 0.00 -1.84 0.00 0.00 35.03 31.63 1o1o n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1o1o s TYR 145 N -1.90 3.10 0.00 2.13 1.51 -1.00 -4.74 117.35 116.45 1o1o s TYR 145 Ca 0.39 1.59 0.00 0.00 -1.01 0.00 0.00 57.07 58.04 1o1o s TYR 145 Cb 0.26 -3.27 0.00 0.00 -0.11 0.00 0.00 41.96 38.85 1o1o s TYR 145 CO 0.17 -1.06 0.00 -2.39 -1.11 0.00 0.00 175.55 171.16