#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o1m n HIS 2 N 0.00 -4.60 -3.98 2.03 -0.00 -1.26 -5.00 115.22 102.41 1o1m n HIS 2 Ca 0.00 2.71 -0.27 0.00 -0.00 0.00 0.00 57.72 60.16 1o1m n HIS 2 Cb 0.00 -3.84 -0.04 0.00 -0.00 0.00 0.00 29.99 26.11 1o1m n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1o1m s LEU 3 N -0.62 4.20 0.82 0.27 1.43 -1.26 -5.11 118.68 118.40 1o1m s LEU 3 Ca -0.15 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 52.94 1o1m s LEU 3 Cb 0.01 -2.78 0.08 0.00 0.03 0.00 0.00 46.19 43.53 1o1m s LEU 3 CO 0.40 0.07 1.09 0.42 0.23 0.00 0.00 176.35 178.56 1o1m s THR 4 N -1.71 3.09 0.37 5.49 -4.23 -1.26 -4.86 115.64 112.54 1o1m s THR 4 Ca 0.34 0.35 0.07 0.00 -1.18 0.00 0.00 61.69 61.27 1o1m s THR 4 Cb -0.11 -2.94 0.30 0.00 1.34 0.00 0.00 72.50 71.09 1o1m s THR 4 CO 0.27 -0.46 1.96 -0.65 -0.54 0.00 0.00 174.62 175.20 1o1m h PRO 5 N -1.23 0.68 0.00 3.99 0.11 -2.00 -1.96 132.00 131.60 1o1m h PRO 5 Ca -0.47 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 1o1m h PRO 5 Cb 1.26 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1o1m h PRO 5 CO 0.55 0.45 -0.56 1.05 -0.21 0.00 0.00 178.00 179.29 1o1m h GLU 6 N 0.70 0.00 -0.10 1.05 9.09 -2.00 -2.30 114.58 121.01 1o1m h GLU 6 Ca 0.31 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.51 1o1m h GLU 6 Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.40 1o1m h GLU 6 CO -0.10 0.56 -0.77 0.93 0.05 0.00 0.00 179.01 179.68 1o1m h GLU 7 N 0.00 0.57 -0.15 1.06 5.08 -1.74 -2.60 114.58 116.80 1o1m h GLU 7 Ca -0.01 -0.48 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1o1m h GLU 7 Cb 1.01 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1o1m h GLU 7 CO 0.07 1.10 0.08 0.87 -1.00 0.00 0.00 179.01 180.13 1o1m h LYS 8 N 0.39 0.20 -0.78 2.33 1.57 -1.17 -1.36 116.57 117.74 1o1m h LYS 8 Ca -0.04 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1o1m h LYS 8 Cb 1.37 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.60 1o1m h LYS 8 CO 0.14 0.21 0.51 0.77 -0.57 0.00 0.00 179.45 180.51 1o1m h SER 9 N 0.14 0.91 -0.45 0.86 0.02 -1.45 0.11 113.55 113.69 1o1m h SER 9 Ca 0.05 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.84 1o1m h SER 9 Cb 0.06 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1o1m h SER 9 CO -0.01 0.67 -0.20 0.00 -1.14 0.00 0.00 176.83 176.15 1o1m h ALA 10 N 1.49 0.74 -0.01 3.77 0.00 -1.29 0.51 119.26 124.47 1o1m h ALA 10 Ca 0.29 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1o1m h ALA 10 Cb -0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1o1m h ALA 10 CO -0.06 0.67 -0.00 0.28 0.00 0.00 0.00 179.25 180.14 1o1m h VAL 11 N 0.83 1.27 -0.59 0.00 2.07 -0.68 -2.88 116.25 116.27 1o1m h VAL 11 Ca 0.11 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1o1m h VAL 11 Cb 0.77 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 1o1m h VAL 11 CO 0.06 0.21 0.32 0.74 0.02 0.00 0.00 177.57 178.92 1o1m h THR 12 N -0.32 1.20 0.07 2.57 2.02 -0.75 -1.90 112.91 115.80 1o1m h THR 12 Ca 0.00 -0.51 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 1o1m h THR 12 Cb 0.34 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1o1m h THR 12 CO 0.00 0.22 -0.03 0.00 0.37 0.00 0.00 175.52 176.07 1o1m h ALA 13 N 1.15 -0.09 -0.75 6.16 0.00 0.03 -2.62 119.26 123.13 1o1m h ALA 13 Ca 0.21 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1o1m h ALA 13 Cb 0.06 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1o1m h ALA 13 CO -0.03 -0.52 0.28 1.25 0.00 0.00 0.00 179.25 180.22 1o1m h LEU 14 N -0.14 1.06 -2.06 0.00 5.85 -1.51 -3.00 115.31 115.51 1o1m h LEU 14 Ca -0.01 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1o1m h LEU 14 Cb 0.12 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 1o1m h LEU 14 CO 0.02 0.95 -0.07 -0.25 -0.34 0.00 0.00 178.44 178.75 1o1m h TRP 15 N 1.11 0.00 0.00 1.25 2.91 -0.99 -0.23 115.95 120.00 1o1m h TRP 15 Ca 0.25 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.27 1o1m h TRP 15 Cb 0.25 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.90 1o1m h TRP 15 CO 0.02 0.07 0.00 0.41 -1.03 0.00 0.00 178.44 177.91 1o1m n GLY 16 N -1.19 -1.02 1.01 2.65 0.00 -1.03 -1.87 105.19 103.74 1o1m n GLY 16 Ca -0.03 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.21 1o1m n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1o1m n LYS 17 N -2.07 2.37 -3.08 1.61 5.02 -0.10 -4.96 118.16 116.95 1o1m n LYS 17 Ca 0.01 -2.01 -0.39 0.00 -2.02 0.00 0.00 58.31 53.89 1o1m n LYS 17 Cb 0.13 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.61 1o1m n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1o1m s VAL 18 N -1.84 4.90 -0.72 -0.18 1.01 -0.78 -5.02 120.40 117.77 1o1m s VAL 18 Ca 0.32 1.44 -0.24 0.00 0.00 0.00 0.00 61.98 63.49 1o1m s VAL 18 Cb 0.21 -4.03 0.06 0.00 0.00 0.00 0.00 36.38 32.62 1o1m s VAL 18 CO 0.31 0.34 1.11 0.21 0.00 0.00 0.00 175.10 177.07 1o1m s ASN 19 N 0.21 6.21 0.22 3.32 3.84 -1.26 -4.92 114.94 122.55 1o1m s ASN 19 Ca 0.36 -0.87 -0.08 0.00 0.21 0.00 0.00 52.86 52.48 1o1m s ASN 19 Cb -0.19 -2.48 0.30 0.00 -0.55 0.00 0.00 41.25 38.34 1o1m s ASN 19 CO 0.19 -1.57 1.76 0.58 -2.79 0.00 0.00 177.10 175.27 1o1m h VAL 20 N 6.03 0.81 -0.62 -5.21 2.07 -1.95 -0.70 116.25 116.68 1o1m h VAL 20 Ca -0.24 -0.17 -0.10 0.00 0.82 0.00 0.00 66.70 67.01 1o1m h VAL 20 Cb 1.06 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1o1m h VAL 20 CO 1.23 0.09 0.00 0.44 0.02 0.00 0.00 177.57 179.35 1o1m h ASP 21 N 0.50 1.06 -0.18 0.57 5.19 -1.91 -1.88 116.42 119.77 1o1m h ASP 21 Ca 0.32 -0.30 -0.06 0.00 -0.62 0.00 0.00 57.03 56.38 1o1m h ASP 21 Cb 0.37 -0.29 -0.00 0.00 0.18 0.00 0.00 39.33 39.59 1o1m h ASP 21 CO -0.29 1.11 -0.11 -0.08 -3.12 0.00 0.00 179.24 176.75 1o1m h GLU 22 N 0.99 0.38 -0.07 3.56 4.81 -1.83 -2.89 114.58 119.54 1o1m h GLU 22 Ca 0.17 -0.18 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1o1m h GLU 22 Cb 0.56 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1o1m h GLU 22 CO 0.03 0.71 -0.55 0.28 -0.73 0.00 0.00 179.01 178.74 1o1m h VAL 23 N 0.06 1.37 -0.18 0.32 2.07 -1.13 -1.52 116.25 117.23 1o1m h VAL 23 Ca 0.04 -1.87 -0.00 0.00 0.82 0.00 0.00 66.70 65.69 1o1m h VAL 23 Cb 0.60 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1o1m h VAL 23 CO 0.03 0.55 0.11 1.23 0.02 0.00 0.00 177.57 179.51 1o1m h GLY 24 N 1.45 0.26 1.24 2.17 0.00 -1.36 0.09 103.07 106.92 1o1m h GLY 24 Ca -0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 1o1m h GLY 24 CO 0.08 0.11 -0.10 -1.33 0.00 0.00 0.00 176.54 175.30 1o1m h GLY 25 N 0.21 0.97 1.00 4.60 0.00 -1.40 -1.91 103.07 106.54 1o1m h GLY 25 Ca 0.06 -0.75 -0.08 0.00 0.00 0.00 0.00 47.33 46.56 1o1m h GLY 25 CO -0.01 0.69 -0.02 -2.09 0.00 0.00 0.00 176.54 175.11 1o1m h GLU 26 N 0.81 0.84 -0.28 4.80 4.81 -1.15 -0.25 114.58 124.16 1o1m h GLU 26 Ca 0.13 -0.27 -0.18 0.00 -0.13 0.00 0.00 59.36 58.91 1o1m h GLU 26 Cb 0.62 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 1o1m h GLU 26 CO 0.04 0.89 -0.53 0.00 -0.73 0.00 0.00 179.01 178.68 1o1m h ALA 27 N 0.91 0.52 -0.31 2.92 0.00 -0.97 -0.87 119.26 121.46 1o1m h ALA 27 Ca 0.13 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 1o1m h ALA 27 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1o1m h ALA 27 CO 0.03 0.68 -0.00 1.25 0.00 0.00 0.00 179.25 181.21 1o1m h LEU 28 N 0.65 0.54 -0.38 0.00 5.85 -1.33 -1.24 115.31 119.39 1o1m h LEU 28 Ca 0.02 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.49 1o1m h LEU 28 Cb 1.13 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.96 1o1m h LEU 28 CO 0.12 0.72 0.05 1.23 -0.34 0.00 0.00 178.44 180.22 1o1m h GLY 29 N 0.35 0.43 1.66 3.75 0.00 -0.98 -2.05 103.07 106.23 1o1m h GLY 29 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.31 1o1m h GLY 29 CO 0.02 -0.06 -0.35 3.21 0.00 0.00 0.00 176.54 179.36 1o1m h ARG 30 N 0.17 0.39 -0.51 4.80 3.08 -1.06 -2.04 114.38 119.20 1o1m h ARG 30 Ca 0.19 -0.17 0.09 0.00 0.07 0.00 0.00 59.98 60.15 1o1m h ARG 30 Cb 0.24 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.21 1o1m h ARG 30 CO -0.27 0.69 0.12 1.25 -1.07 0.00 0.00 179.97 180.70 1o1m h LEU 31 N 0.33 0.05 -1.09 3.04 5.85 -0.72 0.17 115.31 122.93 1o1m h LEU 31 Ca 0.04 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 1o1m h LEU 31 Cb 0.78 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1o1m h LEU 31 CO 0.06 0.05 -0.44 -0.07 -0.34 0.00 0.00 178.44 177.71 1o1m h LEU 32 N 0.27 0.00 0.15 2.25 4.07 -1.01 -1.42 115.31 119.62 1o1m h LEU 32 Ca 0.26 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.98 1o1m h LEU 32 Cb 0.34 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.09 1o1m h LEU 32 CO -0.32 0.44 -1.10 0.58 -1.08 0.00 0.00 178.44 176.95 1o1m h VAL 33 N 0.00 1.33 0.00 1.22 2.07 -0.97 -3.28 116.25 116.63 1o1m h VAL 33 Ca -0.00 -2.52 -0.21 0.00 0.82 0.00 0.00 66.70 64.78 1o1m h VAL 33 Cb 0.81 3.04 -0.03 0.00 -1.52 0.00 0.00 31.29 33.58 1o1m h VAL 33 CO 0.06 0.73 -1.09 0.58 0.02 0.00 0.00 177.57 177.86 1o1m h VAL 34 N -0.26 1.37 -2.25 2.57 2.07 -0.61 -3.38 116.25 115.76 1o1m h VAL 34 Ca -0.21 -3.05 -0.59 0.00 0.82 0.00 0.00 66.70 63.67 1o1m h VAL 34 Cb 1.77 2.67 -0.40 0.00 -1.52 0.00 0.00 31.29 33.80 1o1m h VAL 34 CO 0.15 0.78 -0.83 -1.22 0.02 0.00 0.00 177.57 176.47 1o1m n TYR 35 N -3.25 1.57 0.24 1.57 4.01 -0.54 -4.99 117.16 115.77 1o1m n TYR 35 Ca -0.04 -3.85 0.11 0.00 -0.16 0.00 0.00 57.90 53.96 1o1m n TYR 35 Cb 0.93 -0.39 0.52 0.00 -0.31 0.00 0.00 39.34 40.09 1o1m n TYR 35 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1o1m n PRO 36 N 1.43 0.15 0.22 -0.72 -0.02 -1.24 -1.51 135.00 133.31 1o1m n PRO 36 Ca 0.25 0.55 0.15 0.00 -2.02 0.00 0.00 63.50 62.44 1o1m n PRO 36 Cb 0.46 -1.90 0.66 0.00 -0.02 0.00 0.00 33.50 32.69 1o1m n PRO 36 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1o1m h TRP 37 N 0.00 0.00 0.00 6.00 0.09 -1.91 -2.00 115.95 118.13 1o1m h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1o1m h TRP 37 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.37 1o1m h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1o1m n THR 38 N -2.70 0.73 0.30 0.12 -2.24 -0.57 -2.64 114.28 107.28 1o1m n THR 38 Ca 0.01 0.18 0.12 0.00 -2.27 0.00 0.00 64.05 62.08 1o1m n THR 38 Cb 0.23 -0.87 0.54 0.00 -2.10 0.00 0.00 70.33 68.13 1o1m n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o1m n GLN 39 N -1.55 0.18 0.29 -0.78 6.02 -0.75 -3.24 117.38 117.54 1o1m n GLN 39 Ca 0.04 0.51 0.17 0.00 -0.01 0.00 0.00 57.00 57.71 1o1m n GLN 39 Cb 0.22 -1.92 0.88 0.00 1.02 0.00 0.00 30.24 30.45 1o1m n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1o1m h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.73 -1.03 114.38 110.64 1o1m h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1o1m h ARG 40 Cb 0.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.30 1o1m h ARG 40 CO 0.00 0.00 -0.95 1.19 0.10 0.00 0.00 179.97 180.31 1o1m n PHE 41 N -2.75 0.03 -1.13 4.08 3.72 -1.20 -4.56 117.46 115.65 1o1m n PHE 41 Ca -0.02 0.01 0.08 0.00 -0.05 0.00 0.00 57.45 57.46 1o1m n PHE 41 Cb 0.19 -0.13 0.11 0.00 -0.94 0.00 0.00 39.48 38.71 1o1m n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1o1m n PHE 42 N -1.59 0.00 0.28 1.38 3.72 -0.39 -4.70 117.46 116.16 1o1m n PHE 42 Ca 0.04 -0.82 0.18 0.00 -0.05 0.00 0.00 57.45 56.80 1o1m n PHE 42 Cb 0.36 -0.13 0.88 0.00 -0.94 0.00 0.00 39.48 39.64 1o1m n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1o1m h GLU 43 N 0.00 0.00 -0.00 -1.08 5.08 -1.79 0.12 114.58 116.91 1o1m h GLU 43 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1o1m h GLU 43 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1o1m h GLU 43 CO 0.00 0.00 -0.15 -1.13 -1.00 0.00 0.00 179.01 176.73 1o1m n SER 44 N -3.17 0.35 0.12 1.42 3.41 -1.26 -3.82 113.62 110.67 1o1m n SER 44 Ca -0.00 -0.25 0.12 0.00 -0.26 0.00 0.00 58.87 58.48 1o1m n SER 44 Cb 0.36 -0.12 0.46 0.00 -0.26 0.00 0.00 64.21 64.65 1o1m n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1o1m n PHE 45 N -1.19 0.84 0.00 7.33 3.01 0.03 -5.00 117.46 122.48 1o1m n PHE 45 Ca 0.11 0.29 0.00 0.00 1.01 0.00 0.00 57.45 58.86 1o1m n PHE 45 Cb 0.30 -0.97 0.00 0.00 -0.01 0.00 0.00 39.48 38.80 1o1m n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1o1m n GLY 46 N 0.55 0.71 3.65 1.37 0.00 -1.25 -4.73 105.19 105.48 1o1m n GLY 46 Ca 0.04 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 1o1m n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1o1m s ASP 47 N -4.00 7.01 -0.11 1.61 2.15 -1.26 -4.87 116.67 117.20 1o1m s ASP 47 Ca 0.00 1.22 0.17 0.00 0.43 0.00 0.00 52.55 54.37 1o1m s ASP 47 Cb 0.00 -2.54 0.39 0.00 -0.30 0.00 0.00 42.92 40.48 1o1m s ASP 47 CO 0.00 -0.75 1.18 0.18 -0.17 0.00 0.00 175.17 175.61 1o1m n LEU 48 N 6.54 1.88 0.09 -1.34 4.77 -1.26 -4.22 117.00 123.46 1o1m n LEU 48 Ca 0.12 -2.96 -0.04 0.00 -0.03 0.00 0.00 56.01 53.09 1o1m n LEU 48 Cb 0.47 -0.29 0.15 0.00 -2.33 0.00 0.00 43.42 41.41 1o1m n LEU 48 CO 0.55 0.95 0.52 0.77 -1.33 0.00 0.00 177.39 178.85 1o1m h SER 49 N 0.88 0.25 -4.22 -1.43 4.64 -1.92 -3.45 113.55 108.31 1o1m h SER 49 Ca -0.09 -0.13 -0.37 0.00 -0.47 0.00 0.00 61.79 60.73 1o1m h SER 49 Cb 1.37 -0.07 -0.14 0.00 -0.31 0.00 0.00 62.40 63.24 1o1m h SER 49 CO 0.04 0.75 -0.62 0.42 -0.87 0.00 0.00 176.83 176.55 1o1m s THR 50 N -3.85 0.71 0.36 2.95 -4.23 -1.26 -5.02 115.64 105.30 1o1m s THR 50 Ca -0.04 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.53 1o1m s THR 50 Cb 0.12 -2.62 0.30 0.00 1.34 0.00 0.00 72.50 71.64 1o1m s THR 50 CO 0.79 -0.05 1.95 -0.65 -0.54 0.00 0.00 174.62 176.12 1o1m h PRO 51 N 2.36 0.73 -0.17 3.99 0.11 -1.98 -1.65 132.00 135.40 1o1m h PRO 51 Ca -0.39 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.50 1o1m h PRO 51 Cb 1.24 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1o1m h PRO 51 CO 0.63 0.48 -0.63 -0.44 -0.21 0.00 0.00 178.00 177.83 1o1m h ASP 52 N 0.75 0.68 -0.82 -2.05 3.32 -1.98 0.18 116.42 116.50 1o1m h ASP 52 Ca 0.33 -0.40 0.03 0.00 0.02 0.00 0.00 57.03 57.01 1o1m h ASP 52 Cb 0.30 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 1o1m h ASP 52 CO -0.11 1.14 0.53 0.00 -1.72 0.00 0.00 179.24 179.08 1o1m h ALA 53 N 0.86 1.07 0.33 3.45 0.00 -1.78 0.25 119.26 123.44 1o1m h ALA 53 Ca -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1o1m h ALA 53 Cb 1.20 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1o1m h ALA 53 CO 0.12 0.37 -0.16 0.28 0.00 0.00 0.00 179.25 179.86 1o1m h VAL 54 N 1.04 0.67 -0.00 0.00 2.07 -1.04 -0.88 116.25 118.11 1o1m h VAL 54 Ca 0.32 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 1o1m h VAL 54 Cb -0.02 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1o1m h VAL 54 CO -0.10 0.10 -0.24 0.24 0.02 0.00 0.00 177.57 177.59 1o1m h MET 55 N -0.73 0.01 -0.01 1.57 2.07 -0.44 -1.60 114.93 115.80 1o1m h MET 55 Ca -0.04 -0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 1o1m h MET 55 Cb 0.50 -0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.23 1o1m h MET 55 CO 0.07 0.24 -0.04 0.41 1.07 0.00 0.00 176.91 178.67 1o1m n GLY 56 N -0.85 -0.38 3.66 8.32 0.00 0.87 -4.87 105.19 111.94 1o1m n GLY 56 Ca -0.02 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 1o1m n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1o1m s ASN 57 N -2.10 6.90 0.43 1.61 3.84 -0.34 -4.92 114.94 120.36 1o1m s ASN 57 Ca 0.38 1.79 0.13 0.00 0.21 0.00 0.00 52.86 55.37 1o1m s ASN 57 Cb 0.21 -2.54 0.94 0.00 -0.55 0.00 0.00 41.25 39.31 1o1m s ASN 57 CO 0.38 -0.78 1.97 1.55 -2.79 0.00 0.00 177.10 177.42 1o1m h PRO 58 N 8.40 0.07 -0.04 0.43 0.13 -1.89 -0.32 132.00 138.78 1o1m h PRO 58 Ca -0.29 -0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 64.65 1o1m h PRO 58 Cb 1.12 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1o1m h PRO 58 CO 0.96 0.24 -0.74 0.87 -0.23 0.00 0.00 178.00 179.10 1o1m h LYS 59 N 0.07 0.25 -0.40 0.86 6.56 -1.91 -0.06 116.57 121.93 1o1m h LYS 59 Ca 0.01 -0.21 -0.06 0.00 -1.06 0.00 0.00 60.65 59.33 1o1m h LYS 59 Cb 0.34 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.03 1o1m h LYS 59 CO 0.02 0.88 0.02 0.28 -2.06 0.00 0.00 179.45 178.60 1o1m h VAL 60 N 0.17 1.25 -0.58 0.50 2.07 -1.72 -1.46 116.25 116.47 1o1m h VAL 60 Ca -0.03 -0.96 -0.07 0.00 0.82 0.00 0.00 66.70 66.47 1o1m h VAL 60 Cb 1.31 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 1o1m h VAL 60 CO 0.12 0.33 0.10 0.11 0.02 0.00 0.00 177.57 178.24 1o1m h LYS 61 N 0.53 0.92 -0.45 1.57 1.57 -0.88 -0.52 116.57 119.31 1o1m h LYS 61 Ca 0.12 -0.22 -0.12 0.00 -1.87 0.00 0.00 60.65 58.55 1o1m h LYS 61 Cb 0.44 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1o1m h LYS 61 CO 0.02 0.86 -0.21 0.00 -0.57 0.00 0.00 179.45 179.54 1o1m h ALA 62 N 1.23 0.77 -0.02 3.86 0.00 -0.92 -2.58 119.26 121.61 1o1m h ALA 62 Ca 0.18 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1o1m h ALA 62 Cb 0.38 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1o1m h ALA 62 CO 0.01 0.66 -0.49 1.25 0.00 0.00 0.00 179.25 180.68 1o1m h HIS 63 N 0.79 0.05 -0.87 0.00 -0.00 -0.96 -2.66 115.15 111.50 1o1m h HIS 63 Ca 0.11 -0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.52 1o1m h HIS 63 Cb 0.76 -0.01 -0.06 0.00 -0.00 0.00 0.00 27.41 28.10 1o1m h HIS 63 CO 0.05 0.52 0.54 0.78 -0.00 0.00 0.00 177.93 179.82 1o1m h GLY 64 N 1.44 1.31 0.89 5.26 0.00 -0.71 -1.27 103.07 109.99 1o1m h GLY 64 Ca -0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 1o1m h GLY 64 CO 0.07 0.27 0.08 0.50 0.00 0.00 0.00 176.54 177.46 1o1m h LYS 65 N 0.99 0.44 0.54 4.80 1.57 -1.19 -2.42 116.57 121.30 1o1m h LYS 65 Ca 0.38 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 1o1m h LYS 65 Cb 0.16 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1o1m h LYS 65 CO -0.17 0.51 -0.47 -0.22 -0.57 0.00 0.00 179.45 178.53 1o1m h LYS 66 N 0.28 -0.95 -0.22 3.15 3.64 -1.23 0.13 116.57 121.37 1o1m h LYS 66 Ca 0.09 0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1o1m h LYS 66 Cb 0.26 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1o1m h LYS 66 CO -0.00 -0.64 -0.12 0.11 -2.27 0.00 0.00 179.45 176.54 1o1m h TRP 67 N -0.99 0.55 0.00 1.91 5.08 -1.31 -2.83 115.95 118.36 1o1m h TRP 67 Ca -0.06 -0.14 -0.03 0.00 1.08 0.00 0.00 58.89 59.74 1o1m h TRP 67 Cb 0.85 -0.13 -0.00 0.00 -3.00 0.00 0.00 29.16 26.88 1o1m h TRP 67 CO -0.21 0.76 -0.14 1.25 -1.28 0.00 0.00 178.44 178.82 1o1m h LEU 68 N 0.18 0.00 -0.70 0.11 5.85 -1.44 -1.67 115.31 117.64 1o1m h LEU 68 Ca 0.05 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.64 1o1m h LEU 68 Cb 0.62 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1o1m h LEU 68 CO 0.03 0.14 -0.44 1.23 -0.34 0.00 0.00 178.44 179.07 1o1m h GLY 69 N 2.30 0.52 1.18 3.75 0.00 -0.58 -0.55 103.07 109.69 1o1m h GLY 69 Ca -0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 47.33 46.68 1o1m h GLY 69 CO 0.02 0.48 -0.14 0.00 0.00 0.00 0.00 176.54 176.90 1o1m h ALA 70 N 1.14 0.80 0.07 3.60 0.00 -1.20 -1.34 119.26 122.33 1o1m h ALA 70 Ca 0.03 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1o1m h ALA 70 Cb 0.92 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1o1m h ALA 70 CO 0.08 0.66 -0.21 0.35 0.00 0.00 0.00 179.25 180.13 1o1m h PHE 71 N 0.85 -0.56 -0.55 0.00 3.57 -1.14 -2.04 116.94 117.08 1o1m h PHE 71 Ca 0.13 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.71 1o1m h PHE 71 Cb 0.69 0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.61 1o1m h PHE 71 CO 0.04 -0.30 0.22 1.03 -2.23 0.00 0.00 178.31 177.08 1o1m h SER 72 N -0.38 0.26 -0.04 0.41 0.87 -0.95 0.22 113.55 113.94 1o1m h SER 72 Ca 0.04 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1o1m h SER 72 Cb 0.42 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1o1m h SER 72 CO -0.14 0.17 0.02 0.44 -0.53 0.00 0.00 176.83 176.79 1o1m h ASP 73 N 0.42 0.08 1.21 6.23 3.32 -1.05 -1.62 116.42 125.01 1o1m h ASP 73 Ca 0.26 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 1o1m h ASP 73 Cb 0.27 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1o1m h ASP 73 CO -0.24 0.08 -0.00 1.23 -1.72 0.00 0.00 179.24 178.59 1o1m h GLY 74 N 0.16 0.00 2.00 2.75 0.00 0.18 -2.40 103.07 105.77 1o1m h GLY 74 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1o1m h GLY 74 CO -0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 1o1m h LEU 75 N 0.00 0.00 -0.02 3.11 3.38 -0.92 -1.66 115.31 119.20 1o1m h LEU 75 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1o1m h LEU 75 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1o1m h LEU 75 CO 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 178.44 178.25 1o1m n ALA 76 N -1.86 3.02 -2.34 1.53 0.00 -0.90 -4.04 120.51 115.92 1o1m n ALA 76 Ca 0.01 -0.25 -0.11 0.00 0.00 0.00 0.00 53.44 53.09 1o1m n ALA 76 Cb 0.23 -1.27 0.04 0.00 0.00 0.00 0.00 19.45 18.45 1o1m n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1o1m n HIS 77 N -1.46 1.87 0.26 0.00 8.25 -0.63 -4.87 115.22 118.64 1o1m n HIS 77 Ca 0.07 -2.06 0.17 0.00 -0.26 0.00 0.00 57.72 55.63 1o1m n HIS 77 Cb 0.33 -0.28 0.87 0.00 1.12 0.00 0.00 29.99 32.03 1o1m n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1o1m h LEU 78 N 2.22 0.00 -0.71 2.41 3.38 -1.69 0.35 115.31 121.27 1o1m h LEU 78 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1o1m h LEU 78 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1o1m h LEU 78 CO 0.45 0.00 -0.11 0.47 0.09 0.00 0.00 178.44 179.34 1o1m n ASP 79 N -2.67 1.21 -2.83 -0.43 8.00 -1.26 -4.36 116.55 114.21 1o1m n ASP 79 Ca -0.02 -1.18 -0.11 0.00 0.71 0.00 0.00 54.79 54.19 1o1m n ASP 79 Cb 0.08 0.05 0.06 0.00 -0.02 0.00 0.00 41.12 41.29 1o1m n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1o1m n ASN 80 N -0.25 -0.84 -0.11 -2.24 5.15 0.10 -4.98 115.26 112.09 1o1m n ASN 80 Ca 0.16 -3.09 -0.13 0.00 -0.60 0.00 0.00 54.58 50.92 1o1m n ASN 80 Cb 0.34 0.69 -0.03 0.00 -0.53 0.00 0.00 39.78 40.25 1o1m n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1o1m h LEU 81 N 2.77 0.86 -0.63 1.20 3.38 -1.73 -0.33 115.31 120.83 1o1m h LEU 81 Ca -0.09 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.37 1o1m h LEU 81 Cb 1.13 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1o1m h LEU 81 CO 0.24 1.15 0.23 0.11 0.09 0.00 0.00 178.44 180.25 1o1m h LYS 82 N 0.59 0.96 -0.35 1.13 1.57 -1.91 -1.24 116.57 117.32 1o1m h LYS 82 Ca 0.05 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.53 1o1m h LYS 82 Cb 0.91 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1o1m h LYS 82 CO 0.08 0.83 -0.23 0.78 -0.57 0.00 0.00 179.45 180.33 1o1m h GLY 83 N 0.89 0.84 1.76 3.86 0.00 -1.94 -2.24 103.07 106.24 1o1m h GLY 83 Ca 0.21 -0.80 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 1o1m h GLY 83 CO -0.01 0.72 0.07 -0.84 0.00 0.00 0.00 176.54 176.48 1o1m h THR 84 N 0.56 1.11 -0.24 4.70 2.02 -0.78 -3.23 112.91 117.05 1o1m h THR 84 Ca 0.07 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1o1m h THR 84 Cb 0.79 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1o1m h THR 84 CO 0.06 0.13 0.00 0.49 0.37 0.00 0.00 175.52 176.57 1o1m n PHE 85 N -4.42 0.31 -0.10 3.16 3.72 -0.49 -4.71 117.46 114.93 1o1m n PHE 85 Ca 0.00 -0.30 -0.06 0.00 -0.05 0.00 0.00 57.45 57.04 1o1m n PHE 85 Cb 0.14 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 1o1m n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1o1m h ALA 86 N 2.32 0.13 -0.57 4.37 0.00 -1.42 0.49 119.26 124.58 1o1m h ALA 86 Ca 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1o1m h ALA 86 Cb 0.66 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1o1m h ALA 86 CO 0.00 -0.52 0.24 1.15 0.00 0.00 0.00 179.25 180.11 1o1m h THR 87 N -0.09 1.22 -0.55 0.00 2.02 -1.85 -1.83 112.91 111.84 1o1m h THR 87 Ca 0.18 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 1o1m h THR 87 Cb 0.35 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1o1m h THR 87 CO -0.41 0.27 0.31 -0.07 0.37 0.00 0.00 175.52 175.99 1o1m h LEU 88 N 0.79 0.66 -0.38 2.58 3.38 -1.70 -1.22 115.31 119.42 1o1m h LEU 88 Ca 0.19 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1o1m h LEU 88 Cb 0.19 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1o1m h LEU 88 CO -0.02 0.53 0.13 -1.28 0.09 0.00 0.00 178.44 177.90 1o1m h SER 89 N 0.76 0.55 -0.85 -0.43 0.87 -0.45 -1.58 113.55 112.42 1o1m h SER 89 Ca 0.20 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 1o1m h SER 89 Cb 0.01 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 61.79 1o1m h SER 89 CO -0.03 0.59 0.43 -0.33 -0.53 0.00 0.00 176.83 176.95 1o1m h GLU 90 N 0.47 1.21 -0.24 2.24 5.08 -0.66 -2.41 114.58 120.27 1o1m h GLU 90 Ca 0.13 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1o1m h GLU 90 Cb 0.23 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1o1m h GLU 90 CO -0.01 0.91 0.06 1.25 -1.00 0.00 0.00 179.01 180.22 1o1m h LEU 91 N 1.20 0.36 -1.30 1.33 5.85 -1.04 0.60 115.31 122.31 1o1m h LEU 91 Ca 0.29 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1o1m h LEU 91 Cb 0.08 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1o1m h LEU 91 CO -0.04 0.50 -0.18 0.45 -0.34 0.00 0.00 178.44 178.82 1o1m h HIS 92 N 0.21 0.26 0.01 1.25 3.86 -1.12 -0.86 115.15 118.77 1o1m h HIS 92 Ca 0.08 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1o1m h HIS 92 Cb 0.27 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1o1m h HIS 92 CO 0.01 0.42 -0.01 0.00 0.86 0.00 0.00 177.93 179.22 1o1m h ASP 94 N -1.00 0.22 0.00 0.00 3.32 -0.89 -3.16 116.42 114.91 1o1m h ASP 94 Ca -0.00 -0.17 -0.17 0.00 0.02 0.00 0.00 57.03 56.71 1o1m h ASP 94 Cb 0.22 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1o1m h ASP 94 CO 0.00 0.94 -1.66 0.29 -1.72 0.00 0.00 179.24 177.09 1o1m n LYS 95 N -3.69 0.50 0.05 3.56 4.76 -0.42 -4.75 118.16 118.17 1o1m n LYS 95 Ca -0.03 0.06 0.06 0.00 -2.87 0.00 0.00 58.31 55.54 1o1m n LYS 95 Cb 0.77 -1.23 -0.07 0.00 -1.84 0.00 0.00 35.03 32.65 1o1m n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1o1m n LEU 96 N -2.79 0.62 -3.58 -0.35 4.77 -0.62 -4.99 117.00 110.05 1o1m n LEU 96 Ca -0.20 0.25 -0.22 0.00 -0.03 0.00 0.00 56.01 55.81 1o1m n LEU 96 Cb 0.73 0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.92 1o1m n LEU 96 CO 0.12 -0.00 0.17 1.41 -1.33 0.00 0.00 177.39 177.76 1o1m n HIS 97 N -2.66 -2.55 -3.16 -1.77 8.25 0.29 -4.96 115.22 108.66 1o1m n HIS 97 Ca -0.06 0.97 -0.42 0.00 -0.26 0.00 0.00 57.72 57.96 1o1m n HIS 97 Cb 0.68 -4.92 -0.07 0.00 1.12 0.00 0.00 29.99 26.80 1o1m n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1o1m s VAL 98 N -3.35 4.93 -0.16 1.59 1.01 -0.51 -5.02 120.40 118.89 1o1m s VAL 98 Ca 0.37 0.44 -0.35 0.00 0.00 0.00 0.00 61.98 62.44 1o1m s VAL 98 Cb -0.17 -4.06 -0.12 0.00 0.00 0.00 0.00 36.38 32.04 1o1m s VAL 98 CO 0.75 -0.32 1.90 -0.67 0.00 0.00 0.00 175.10 176.76 1o1m n ASP 99 N 5.97 3.13 0.25 3.32 -0.08 -1.26 -4.78 116.55 123.09 1o1m n ASP 99 Ca -0.02 0.92 0.13 0.00 -1.51 0.00 0.00 54.79 54.30 1o1m n ASP 99 Cb 0.49 -1.32 0.70 0.00 2.34 0.00 0.00 41.12 43.33 1o1m n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1o1m h PRO 100 N 9.33 0.00 -0.52 -0.67 0.11 -1.97 -0.21 132.00 138.08 1o1m h PRO 100 Ca -0.46 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.76 1o1m h PRO 100 Cb 1.28 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 1o1m h PRO 100 CO 0.96 0.00 0.36 1.49 -0.21 0.00 0.00 178.00 180.60 1o1m h GLU 101 N 0.00 0.19 -0.43 1.05 4.57 -1.99 -1.56 114.58 116.42 1o1m h GLU 101 Ca 0.00 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1o1m h GLU 101 Cb 0.38 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 1o1m h GLU 101 CO 0.00 0.12 0.25 -0.91 -1.18 0.00 0.00 179.01 177.29 1o1m h ASN 102 N 0.19 0.50 -0.49 1.04 2.35 -1.39 -2.36 115.58 115.43 1o1m h ASN 102 Ca 0.24 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.89 1o1m h ASN 102 Cb 0.70 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1o1m h ASN 102 CO -0.04 0.39 0.02 -0.26 -1.65 0.00 0.00 177.43 175.89 1o1m h PHE 103 N 0.58 0.97 -0.43 1.19 0.04 -1.46 -1.00 116.94 116.83 1o1m h PHE 103 Ca 0.15 -0.14 -0.07 0.00 2.80 0.00 0.00 57.97 60.71 1o1m h PHE 103 Cb -0.01 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 37.86 1o1m h PHE 103 CO 0.00 0.86 -0.02 0.00 -0.60 0.00 0.00 178.31 178.56 1o1m h ARG 104 N 0.84 0.78 -0.21 1.51 3.08 -1.48 -0.52 114.38 118.38 1o1m h ARG 104 Ca 0.16 -0.26 0.02 0.00 0.07 0.00 0.00 59.98 59.98 1o1m h ARG 104 Cb 0.47 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 1o1m h ARG 104 CO 0.02 0.86 0.06 -0.07 -1.07 0.00 0.00 179.97 179.76 1o1m h LEU 105 N 0.62 0.04 -0.50 3.04 3.38 -1.25 -1.33 115.31 119.31 1o1m h LEU 105 Ca 0.12 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1o1m h LEU 105 Cb 0.52 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1o1m h LEU 105 CO 0.03 0.05 0.17 0.25 0.09 0.00 0.00 178.44 179.03 1o1m h LEU 106 N 0.15 0.72 -0.68 1.67 5.85 -1.15 -0.46 115.31 121.40 1o1m h LEU 106 Ca 0.09 -0.20 0.14 0.00 0.84 0.00 0.00 57.88 58.76 1o1m h LEU 106 Cb 0.08 -0.19 -0.10 0.00 0.37 0.00 0.00 40.66 40.82 1o1m h LEU 106 CO -0.11 0.72 0.14 1.23 -0.34 0.00 0.00 178.44 180.08 1o1m h GLY 107 N 0.68 0.90 1.69 3.75 0.00 -0.86 0.15 103.07 109.38 1o1m h GLY 107 Ca 0.16 -0.02 -0.17 0.00 0.00 0.00 0.00 47.33 47.30 1o1m h GLY 107 CO -0.01 -0.17 -0.72 3.43 0.00 0.00 0.00 176.54 179.07 1o1m h ASN 108 N 0.25 0.36 -0.11 0.19 2.35 -0.69 -2.37 115.58 115.56 1o1m h ASN 108 Ca 0.37 -0.24 -0.12 0.00 -0.55 0.00 0.00 56.30 55.77 1o1m h ASN 108 Cb 0.61 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1o1m h ASN 108 CO -0.48 0.96 -0.31 0.58 -1.65 0.00 0.00 177.43 176.53 1o1m h VAL 109 N 0.20 1.28 -0.66 2.81 2.07 -0.53 -2.29 116.25 119.14 1o1m h VAL 109 Ca -0.03 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 1o1m h VAL 109 Cb 1.28 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 1o1m h VAL 109 CO 0.12 0.45 0.39 0.25 0.02 0.00 0.00 177.57 178.80 1o1m h LEU 110 N 0.51 0.81 -0.96 2.57 5.85 -0.57 -1.41 115.31 122.10 1o1m h LEU 110 Ca 0.06 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1o1m h LEU 110 Cb 0.79 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 1o1m h LEU 110 CO 0.06 0.64 0.64 0.58 -0.34 0.00 0.00 178.44 180.02 1o1m h VAL 111 N 0.90 1.22 -0.53 1.05 2.07 -1.20 0.15 116.25 119.92 1o1m h VAL 111 Ca 0.24 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1o1m h VAL 111 Cb -0.01 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.57 1o1m h VAL 111 CO -0.04 0.23 0.26 0.00 0.02 0.00 0.00 177.57 178.04 1o1m h VAL 113 N 0.70 1.22 -0.34 0.00 2.07 -0.71 0.67 116.25 119.85 1o1m h VAL 113 Ca 0.18 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1o1m h VAL 113 Cb 0.11 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1o1m h VAL 113 CO -0.02 0.25 0.20 -0.07 0.02 0.00 0.00 177.57 177.95 1o1m h LEU 114 N 0.92 0.42 -0.70 2.57 3.38 -0.79 -0.64 115.31 120.47 1o1m h LEU 114 Ca 0.23 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.16 1o1m h LEU 114 Cb 0.08 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1o1m h LEU 114 CO -0.03 0.36 0.45 0.00 0.09 0.00 0.00 178.44 179.30 1o1m h ALA 115 N 1.08 0.90 -0.75 1.53 0.00 -0.89 0.30 119.26 121.43 1o1m h ALA 115 Ca 0.12 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1o1m h ALA 115 Cb 0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1o1m h ALA 115 CO -0.02 0.26 0.49 1.25 0.00 0.00 0.00 179.25 181.23 1o1m h HIS 116 N 0.90 0.94 -0.23 0.00 -0.00 -0.58 -0.36 115.15 115.83 1o1m h HIS 116 Ca 0.27 0.02 -0.20 0.00 -0.00 0.00 0.00 60.37 60.46 1o1m h HIS 116 Cb -0.05 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.04 1o1m h HIS 116 CO -0.03 0.60 -0.62 0.45 -0.00 0.00 0.00 177.93 178.32 1o1m h HIS 117 N 1.01 1.04 -0.01 5.26 -0.00 -0.64 -3.35 115.15 118.45 1o1m h HIS 117 Ca 0.27 -0.40 0.00 0.00 -0.00 0.00 0.00 60.37 60.24 1o1m h HIS 117 Cb -0.11 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.12 1o1m h HIS 117 CO -0.02 1.22 -0.39 1.19 -0.00 0.00 0.00 177.93 179.93 1o1m n PHE 118 N -3.97 0.00 0.00 2.45 3.72 0.05 -5.05 117.46 114.66 1o1m n PHE 118 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1o1m n PHE 118 Cb 0.67 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.21 1o1m n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1o1m n GLY 119 N 1.14 3.10 0.31 1.37 0.00 -0.15 -1.88 105.19 109.07 1o1m n GLY 119 Ca 0.05 0.11 0.20 0.00 0.00 0.00 0.00 46.02 46.39 1o1m n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1o1m h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 -0.85 116.57 117.46 1o1m h LYS 120 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 1o1m h LYS 120 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1o1m h LYS 120 CO 0.00 0.01 -0.19 1.49 -2.00 0.00 0.00 179.45 178.76 1o1m h GLU 121 N 0.00 0.00 -4.35 0.07 4.81 -1.77 -3.32 114.58 110.02 1o1m h GLU 121 Ca -0.00 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.50 1o1m h GLU 121 Cb 0.23 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.49 1o1m h GLU 121 CO 0.00 0.19 2.05 0.34 -0.73 0.00 0.00 179.01 180.87 1o1m n PHE 122 N -3.53 3.94 -1.44 0.92 7.35 -0.33 -4.94 117.46 119.44 1o1m n PHE 122 Ca -0.01 -3.00 -0.31 0.00 -0.76 0.00 0.00 57.45 53.37 1o1m n PHE 122 Cb 0.34 -2.24 0.08 0.00 0.35 0.00 0.00 39.48 38.02 1o1m n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1o1m s THR 123 N 1.86 3.44 0.26 -2.13 -4.23 -1.25 -4.73 115.64 108.85 1o1m s THR 123 Ca 0.44 0.47 -0.02 0.00 -1.18 0.00 0.00 61.69 61.40 1o1m s THR 123 Cb 0.06 -3.11 0.23 0.00 1.34 0.00 0.00 72.50 71.02 1o1m s THR 123 CO -0.00 -0.61 1.76 -0.65 -0.54 0.00 0.00 174.62 174.58 1o1m h PRO 124 N -1.02 0.57 -0.17 3.99 0.11 -1.94 0.13 132.00 133.67 1o1m h PRO 124 Ca -0.45 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 1o1m h PRO 124 Cb 1.24 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1o1m h PRO 124 CO 0.56 0.38 -0.41 -1.35 -0.21 0.00 0.00 178.00 176.96 1o1m h PRO 125 N 0.58 0.40 -0.54 1.05 0.11 -1.99 -1.09 132.00 130.53 1o1m h PRO 125 Ca 0.44 -0.20 -0.11 0.00 0.11 0.00 0.00 66.00 66.25 1o1m h PRO 125 Cb 0.62 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 1o1m h PRO 125 CO -0.36 0.75 -0.09 0.28 -0.21 0.00 0.00 178.00 178.37 1o1m h VAL 126 N 0.33 1.27 -0.62 3.15 2.07 -1.65 -2.28 116.25 118.53 1o1m h VAL 126 Ca 0.03 -1.23 0.01 0.00 0.82 0.00 0.00 66.70 66.33 1o1m h VAL 126 Cb 0.87 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1o1m h VAL 126 CO 0.07 0.43 0.40 -0.61 0.02 0.00 0.00 177.57 177.89 1o1m h GLN 127 N 0.89 0.80 -0.94 1.57 4.15 -0.60 -1.88 115.11 119.10 1o1m h GLN 127 Ca 0.14 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.57 1o1m h GLN 127 Cb 0.64 -0.18 -0.06 0.00 0.21 0.00 0.00 27.48 28.09 1o1m h GLN 127 CO 0.04 0.53 0.60 0.00 -1.93 0.00 0.00 178.83 178.07 1o1m h ALA 128 N 1.24 1.28 -0.33 3.38 0.00 -0.89 0.30 119.26 124.24 1o1m h ALA 128 Ca 0.23 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1o1m h ALA 128 Cb -0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1o1m h ALA 128 CO -0.06 0.41 0.09 0.00 0.00 0.00 0.00 179.25 179.69 1o1m h ALA 129 N 1.42 0.43 -0.15 0.00 0.00 -1.14 -2.53 119.26 117.28 1o1m h ALA 129 Ca 0.40 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1o1m h ALA 129 Cb 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1o1m h ALA 129 CO -0.15 0.09 -0.27 1.88 0.00 0.00 0.00 179.25 180.79 1o1m h TYR 130 N 0.38 0.31 -0.65 0.00 0.05 -0.49 -2.64 116.97 113.92 1o1m h TYR 130 Ca 0.11 -0.06 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 1o1m h TYR 130 Cb 0.27 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 37.91 1o1m h TYR 130 CO 0.01 0.53 0.19 1.96 -1.05 0.00 0.00 178.16 179.81 1o1m h GLN 131 N 0.25 1.00 -0.51 4.88 1.08 -0.20 -0.65 115.11 120.97 1o1m h GLN 131 Ca 0.04 -0.21 -0.02 0.00 -1.45 0.00 0.00 58.65 57.01 1o1m h GLN 131 Cb 0.61 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 1o1m h GLN 131 CO 0.04 0.87 0.24 0.87 -0.95 0.00 0.00 178.83 179.90 1o1m h LYS 132 N 0.97 0.73 -0.30 1.46 1.57 -1.19 -1.95 116.57 117.86 1o1m h LYS 132 Ca 0.21 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1o1m h LYS 132 Cb 0.29 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1o1m h LYS 132 CO -0.01 0.61 0.01 0.28 -0.57 0.00 0.00 179.45 179.77 1o1m h VAL 133 N 0.67 1.25 -0.13 0.50 2.07 -1.12 -0.16 116.25 119.34 1o1m h VAL 133 Ca 0.17 -0.91 -0.12 0.00 0.82 0.00 0.00 66.70 66.66 1o1m h VAL 133 Cb 0.12 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1o1m h VAL 133 CO -0.02 0.30 -0.46 -0.37 0.02 0.00 0.00 177.57 177.03 1o1m h VAL 134 N 0.33 1.33 -0.62 2.57 -1.51 -1.09 0.17 116.25 117.42 1o1m h VAL 134 Ca 0.09 -1.65 -0.10 0.00 -1.23 0.00 0.00 66.70 63.81 1o1m h VAL 134 Cb 0.42 1.73 -0.02 0.00 -2.13 0.00 0.00 31.29 31.28 1o1m h VAL 134 CO 0.01 0.50 0.02 0.00 -1.23 0.00 0.00 177.57 176.87 1o1m h ALA 135 N 1.25 0.84 -0.69 5.19 0.00 -1.20 -1.31 119.26 123.33 1o1m h ALA 135 Ca 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1o1m h ALA 135 Cb 0.92 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1o1m h ALA 135 CO 0.08 0.67 0.37 0.78 0.00 0.00 0.00 179.25 181.15 1o1m h GLY 136 N 0.99 1.04 0.92 0.00 0.00 -0.58 -0.02 103.07 105.43 1o1m h GLY 136 Ca 0.18 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 1o1m h GLY 136 CO 0.03 0.46 -0.12 -2.08 0.00 0.00 0.00 176.54 174.82 1o1m h VAL 137 N 0.95 1.29 -0.68 4.60 2.07 -0.85 -0.33 116.25 123.30 1o1m h VAL 137 Ca 0.24 -1.21 0.06 0.00 0.82 0.00 0.00 66.70 66.62 1o1m h VAL 137 Cb 0.05 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1o1m h VAL 137 CO -0.04 0.39 0.39 0.00 0.02 0.00 0.00 177.57 178.33 1o1m h ALA 138 N 0.78 0.92 -0.44 1.67 0.00 -1.08 0.27 119.26 121.37 1o1m h ALA 138 Ca 0.07 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1o1m h ALA 138 Cb 0.64 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1o1m h ALA 138 CO 0.04 0.07 -0.17 -0.91 0.00 0.00 0.00 179.25 178.28 1o1m h ASN 139 N 0.71 0.90 0.28 0.00 2.35 -0.79 -1.70 115.58 117.34 1o1m h ASN 139 Ca 0.30 -0.39 -0.11 0.00 -0.55 0.00 0.00 56.30 55.56 1o1m h ASN 139 Cb 0.18 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1o1m h ASN 139 CO -0.18 1.08 -0.43 0.00 -1.65 0.00 0.00 177.43 176.26 1o1m h ALA 140 N 0.85 1.13 0.00 -0.83 0.00 -0.76 -2.16 119.26 117.48 1o1m h ALA 140 Ca 0.10 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1o1m h ALA 140 Cb 0.72 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1o1m h ALA 140 CO 0.05 0.59 0.00 -0.07 0.00 0.00 0.00 179.25 179.83 1o1m h LEU 141 N 0.16 0.00 -0.72 0.00 3.38 -0.72 -3.11 115.31 114.30 1o1m h LEU 141 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1o1m h LEU 141 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1o1m h LEU 141 CO 0.06 0.00 -0.28 0.00 0.09 0.00 0.00 178.44 178.31 1o1m n ALA 142 N -2.05 3.13 0.15 1.53 0.00 -0.66 -4.45 120.51 118.16 1o1m n ALA 142 Ca 0.03 -0.48 0.01 0.00 0.00 0.00 0.00 53.44 53.00 1o1m n ALA 142 Cb 0.43 -1.04 0.31 0.00 0.00 0.00 0.00 19.45 19.15 1o1m n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1o1m h HIS 143 N 1.75 0.09 -0.69 0.00 6.17 -1.35 -2.69 115.15 118.43 1o1m h HIS 143 Ca 0.00 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.06 1o1m h HIS 143 Cb 0.59 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 30.49 1o1m h HIS 143 CO 0.00 0.45 0.00 1.63 0.71 0.00 0.00 177.93 180.72 1o1m n LYS 144 N -4.07 2.73 -2.21 5.26 4.01 -1.26 -4.95 118.16 117.67 1o1m n LYS 144 Ca -0.02 -2.60 -0.40 0.00 -0.51 0.00 0.00 58.31 54.78 1o1m n LYS 144 Cb 0.43 -1.54 -0.03 0.00 -0.51 0.00 0.00 35.03 33.38 1o1m n LYS 144 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1o1m s TYR 145 N -1.02 3.16 0.00 2.13 1.51 -1.02 -4.80 117.35 117.32 1o1m s TYR 145 Ca 0.46 1.49 0.00 0.00 -1.01 0.00 0.00 57.07 58.02 1o1m s TYR 145 Cb 0.24 -3.56 0.00 0.00 -0.11 0.00 0.00 41.96 38.53 1o1m s TYR 145 CO 0.32 -1.52 0.00 -2.39 -1.11 0.00 0.00 175.55 170.85