#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rps s HIS 2 N 0.00 1.18 -0.11 3.52 5.04 -1.26 -4.89 115.29 118.77 1rps s HIS 2 Ca 0.00 1.87 0.02 0.00 -1.54 0.00 0.00 55.06 55.42 1rps s HIS 2 Cb 0.00 -3.49 0.01 0.00 0.04 0.00 0.00 32.58 29.14 1rps s HIS 2 CO 0.00 -1.65 -0.18 -1.17 -2.34 0.00 0.00 174.74 169.41 1rps s LEU 3 N 14.31 1.85 0.85 8.88 2.96 -1.26 -5.08 118.68 141.20 1rps s LEU 3 Ca 0.91 -0.47 -0.11 0.00 -0.22 0.00 0.00 54.13 54.25 1rps s LEU 3 Cb -0.13 -1.18 0.10 0.00 0.50 0.00 0.00 46.19 45.49 1rps s LEU 3 CO 0.09 0.06 1.09 0.42 -1.32 0.00 0.00 176.35 176.69 1rps s THR 4 N 0.77 2.92 0.15 3.68 -4.23 -1.26 -4.78 115.64 112.89 1rps s THR 4 Ca -0.11 0.30 0.30 0.00 -1.18 0.00 0.00 61.69 61.00 1rps s THR 4 Cb -0.16 -2.79 0.33 0.00 1.34 0.00 0.00 72.50 71.22 1rps s THR 4 CO 0.01 -0.39 1.94 1.55 -0.54 0.00 0.00 174.62 177.20 1rps h PRO 5 N -1.38 0.00 -0.11 3.99 0.13 -2.00 -0.14 132.00 132.49 1rps h PRO 5 Ca -0.47 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 1rps h PRO 5 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1rps h PRO 5 CO 0.53 0.09 -0.45 0.93 -0.23 0.00 0.00 178.00 178.88 1rps h GLU 6 N 0.00 0.26 0.09 0.86 4.39 -2.00 -1.84 114.58 116.35 1rps h GLU 6 Ca -0.00 -0.13 -0.22 0.00 0.34 0.00 0.00 59.36 59.34 1rps h GLU 6 Cb 0.57 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.25 1rps h GLU 6 CO 0.01 0.66 -0.93 0.93 -1.16 0.00 0.00 179.01 178.53 1rps h GLU 7 N 0.21 0.46 -0.30 2.33 5.08 -1.62 -2.98 114.58 117.77 1rps h GLU 7 Ca 0.01 -0.62 -0.10 0.00 -1.00 0.00 0.00 59.36 57.65 1rps h GLU 7 Cb 0.88 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1rps h GLU 7 CO 0.07 1.26 -0.24 -0.22 -1.00 0.00 0.00 179.01 178.88 1rps h LYS 8 N -0.03 0.57 0.08 2.33 3.64 -1.06 0.25 116.57 122.36 1rps h LYS 8 Ca -0.14 -0.22 -0.28 0.00 -1.27 0.00 0.00 60.65 58.74 1rps h LYS 8 Cb 1.66 -0.03 0.02 0.00 -0.41 0.00 0.00 32.23 33.47 1rps h LYS 8 CO 0.18 0.77 -1.16 0.66 -2.27 0.00 0.00 179.45 177.62 1rps h SER 9 N 0.50 0.78 -0.35 4.20 4.64 -1.45 -0.75 113.55 121.13 1rps h SER 9 Ca 0.07 -0.70 -0.02 0.00 -0.47 0.00 0.00 61.79 60.67 1rps h SER 9 Cb 0.68 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 1rps h SER 9 CO 0.05 1.51 0.15 0.00 -0.87 0.00 0.00 176.83 177.67 1rps h ALA 10 N 0.41 0.46 0.01 5.18 0.00 -1.36 0.90 119.26 124.86 1rps h ALA 10 Ca -0.16 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1rps h ALA 10 Cb 1.83 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 1rps h ALA 10 CO 0.22 0.04 -0.01 0.28 0.00 0.00 0.00 179.25 179.78 1rps h VAL 11 N 0.43 0.97 -0.33 0.00 2.07 -0.44 -2.81 116.25 116.14 1rps h VAL 11 Ca 0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 1rps h VAL 11 Cb 0.16 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1rps h VAL 11 CO -0.01 0.00 0.18 0.74 0.02 0.00 0.00 177.57 178.50 1rps h THR 12 N -0.03 1.14 -0.33 2.57 2.02 -0.98 -2.06 112.91 115.24 1rps h THR 12 Ca 0.00 -0.37 0.07 0.00 0.77 0.00 0.00 66.41 66.88 1rps h THR 12 Cb 0.03 0.78 -0.07 0.00 -1.74 0.00 0.00 68.15 67.15 1rps h THR 12 CO -0.01 0.14 -0.10 0.00 0.37 0.00 0.00 175.52 175.93 1rps h ALA 13 N 1.04 0.19 -0.59 6.16 0.00 -0.77 -1.55 119.26 123.76 1rps h ALA 13 Ca 0.12 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1rps h ALA 13 Cb 0.07 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1rps h ALA 13 CO -0.02 -0.48 0.35 1.25 0.00 0.00 0.00 179.25 180.35 1rps h LEU 14 N -0.03 0.71 -1.41 0.00 5.85 -1.32 -2.20 115.31 116.91 1rps h LEU 14 Ca 0.16 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.89 1rps h LEU 14 Cb 0.28 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1rps h LEU 14 CO -0.36 0.56 0.46 -0.25 -0.34 0.00 0.00 178.44 178.52 1rps h TRP 15 N 0.79 0.73 -0.81 1.25 2.91 -0.64 0.29 115.95 120.48 1rps h TRP 15 Ca 0.21 0.02 0.21 0.00 1.13 0.00 0.00 58.89 60.46 1rps h TRP 15 Cb -0.01 -0.24 -0.04 0.00 -0.51 0.00 0.00 29.16 28.35 1rps h TRP 15 CO -0.02 0.39 0.56 0.78 -1.03 0.00 0.00 178.44 179.12 1rps h GLY 16 N 0.72 0.33 -0.03 2.65 0.00 -0.64 0.69 103.07 106.79 1rps h GLY 16 Ca 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1rps h GLY 16 CO -0.10 0.00 -0.11 0.28 0.00 0.00 0.00 176.54 176.61 1rps n LYS 17 N -4.38 1.23 -2.62 4.80 5.02 0.10 -4.91 118.16 117.40 1rps n LYS 17 Ca 0.17 -0.69 -0.41 0.00 -2.02 0.00 0.00 58.31 55.36 1rps n LYS 17 Cb 0.77 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 34.25 1rps n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1rps s VAL 18 N -2.24 4.21 -0.77 -0.18 1.01 0.23 -4.97 120.40 117.69 1rps s VAL 18 Ca 0.32 1.85 -0.16 0.00 0.00 0.00 0.00 61.98 63.99 1rps s VAL 18 Cb 0.20 -4.18 0.16 0.00 0.00 0.00 0.00 36.38 32.56 1rps s VAL 18 CO 0.42 0.29 0.81 0.21 0.00 0.00 0.00 175.10 176.84 1rps s ASN 19 N -0.01 6.54 0.53 3.32 3.84 -1.26 -4.92 114.94 122.98 1rps s ASN 19 Ca 0.48 -2.16 0.18 0.00 0.21 0.00 0.00 52.86 51.58 1rps s ASN 19 Cb -0.26 -2.28 1.35 0.00 -0.55 0.00 0.00 41.25 39.51 1rps s ASN 19 CO 0.32 -0.84 2.16 -0.37 -2.79 0.00 0.00 177.10 175.57 1rps h VAL 20 N 5.40 0.93 0.00 -5.21 -1.51 -1.95 -1.10 116.25 112.80 1rps h VAL 20 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 1rps h VAL 20 Cb 1.05 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 1rps h VAL 20 CO 0.95 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.76 1rps n ASP 21 N -4.44 0.00 0.00 4.19 8.00 -1.26 -2.82 116.55 120.22 1rps n ASP 21 Ca -0.02 0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.85 1rps n ASP 21 Cb 0.11 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 1rps n ASP 21 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1rps n GLU 22 N -1.41 0.00 -0.25 -1.24 2.13 -0.45 -4.66 120.64 114.75 1rps n GLU 22 Ca 0.02 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.79 1rps n GLU 22 Cb 0.06 -0.56 0.05 0.00 0.27 0.00 0.00 31.44 31.26 1rps n GLU 22 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1rps h VAL 23 N 0.00 1.18 -0.10 6.31 2.07 -1.57 -0.44 116.25 123.71 1rps h VAL 23 Ca 0.00 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.21 1rps h VAL 23 Cb 0.96 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1rps h VAL 23 CO 0.00 0.18 -0.07 1.23 0.02 0.00 0.00 177.57 178.92 1rps h GLY 24 N 0.95 0.01 0.58 2.17 0.00 -1.74 0.42 103.07 105.46 1rps h GLY 24 Ca 0.26 0.09 0.07 0.00 0.00 0.00 0.00 47.33 47.75 1rps h GLY 24 CO -0.05 -0.09 0.30 -1.33 0.00 0.00 0.00 176.54 175.36 1rps h GLY 25 N -0.09 0.88 1.13 4.60 0.00 -1.66 -1.19 103.07 106.74 1rps h GLY 25 Ca 0.06 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 1rps h GLY 25 CO -0.15 0.08 0.24 0.83 0.00 0.00 0.00 176.54 177.55 1rps h GLU 26 N 0.54 1.09 -0.06 4.80 4.39 -0.72 -1.53 114.58 123.10 1rps h GLU 26 Ca 0.29 -0.22 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 1rps h GLU 26 Cb 0.25 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1rps h GLU 26 CO -0.22 0.92 -0.31 0.00 -1.16 0.00 0.00 179.01 178.24 1rps h ALA 27 N 1.21 0.11 -0.60 3.43 0.00 -0.66 -0.66 119.26 122.09 1rps h ALA 27 Ca 0.24 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1rps h ALA 27 Cb 0.27 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1rps h ALA 27 CO -0.01 0.16 0.30 1.25 0.00 0.00 0.00 179.25 180.95 1rps h LEU 28 N -0.21 0.78 -0.00 0.00 5.85 -1.20 -2.17 115.31 118.37 1rps h LEU 28 Ca -0.02 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.58 1rps h LEU 28 Cb 0.97 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1rps h LEU 28 CO 0.06 0.69 -0.03 1.23 -0.34 0.00 0.00 178.44 180.06 1rps h GLY 29 N 0.82 -0.03 1.92 3.75 0.00 -1.26 -1.75 103.07 106.53 1rps h GLY 29 Ca 0.21 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 1rps h GLY 29 CO -0.03 -0.03 -0.09 3.21 0.00 0.00 0.00 176.54 179.60 1rps h ARG 30 N -0.05 0.10 -0.34 4.80 3.08 -1.04 -1.18 114.38 119.75 1rps h ARG 30 Ca 0.01 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1rps h ARG 30 Cb 0.07 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1rps h ARG 30 CO -0.03 0.20 0.17 1.25 -1.07 0.00 0.00 179.97 180.49 1rps h LEU 31 N 0.10 0.44 -1.05 3.04 5.85 -0.66 0.21 115.31 123.24 1rps h LEU 31 Ca 0.02 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 1rps h LEU 31 Cb 0.22 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1rps h LEU 31 CO 0.01 0.43 -0.46 -0.07 -0.34 0.00 0.00 178.44 178.02 1rps h LEU 32 N 0.42 0.00 0.16 2.25 3.38 -0.77 -1.92 115.31 118.83 1rps h LEU 32 Ca 0.12 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.82 1rps h LEU 32 Cb 0.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.86 1rps h LEU 32 CO -0.02 0.46 -1.26 0.58 0.09 0.00 0.00 178.44 178.29 1rps h VAL 33 N 0.00 1.22 0.07 1.22 2.07 -1.05 -3.25 116.25 116.54 1rps h VAL 33 Ca -0.00 -2.51 -0.27 0.00 0.82 0.00 0.00 66.70 64.74 1rps h VAL 33 Cb 0.84 2.94 0.02 0.00 -1.52 0.00 0.00 31.29 33.57 1rps h VAL 33 CO 0.06 0.74 -1.13 0.58 0.02 0.00 0.00 177.57 177.84 1rps h VAL 34 N -0.21 1.36 -2.29 2.57 2.07 -0.98 -3.35 116.25 115.42 1rps h VAL 34 Ca -0.25 -2.55 -0.62 0.00 0.82 0.00 0.00 66.70 64.10 1rps h VAL 34 Cb 1.83 2.62 -0.40 0.00 -1.52 0.00 0.00 31.29 33.82 1rps h VAL 34 CO 0.14 0.76 -0.41 -1.22 0.02 0.00 0.00 177.57 176.86 1rps n TYR 35 N -3.73 3.65 0.27 1.57 4.01 -0.72 -4.96 117.16 117.24 1rps n TYR 35 Ca -0.10 -3.89 0.13 0.00 -0.16 0.00 0.00 57.90 53.87 1rps n TYR 35 Cb 0.94 -0.62 0.56 0.00 -0.31 0.00 0.00 39.34 39.90 1rps n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1rps h PRO 36 N 3.85 0.00 0.00 -0.72 0.11 -1.70 -0.46 132.00 133.07 1rps h PRO 36 Ca 0.19 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 1rps h PRO 36 Cb 0.58 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 1rps h PRO 36 CO 0.89 0.00 -0.19 0.11 -0.21 0.00 0.00 178.00 178.60 1rps h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.91 -2.01 115.95 112.77 1rps h TRP 37 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.04 1rps h TRP 37 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.48 1rps h TRP 37 CO 0.00 0.19 0.00 0.25 0.09 0.00 0.00 178.44 178.97 1rps n THR 38 N -3.55 0.11 0.47 0.12 -2.24 -0.18 -2.30 114.28 106.70 1rps n THR 38 Ca -0.01 0.03 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 1rps n THR 38 Cb 0.34 -0.88 0.47 0.00 -2.10 0.00 0.00 70.33 68.15 1rps n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rps n GLN 39 N -1.04 0.23 0.27 -0.78 6.02 -0.76 -3.34 117.38 117.98 1rps n GLN 39 Ca 0.07 0.36 0.16 0.00 -0.01 0.00 0.00 57.00 57.58 1rps n GLN 39 Cb 0.04 -1.87 0.85 0.00 1.02 0.00 0.00 30.24 30.28 1rps n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1rps h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.71 -1.45 114.38 110.25 1rps h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1rps h ARG 40 Cb 0.50 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.58 1rps h ARG 40 CO 0.00 0.00 -1.06 1.19 0.10 0.00 0.00 179.97 180.20 1rps n PHE 41 N -2.67 0.31 -1.65 4.08 3.72 -1.21 -4.49 117.46 115.55 1rps n PHE 41 Ca -0.02 0.09 0.03 0.00 -0.05 0.00 0.00 57.45 57.50 1rps n PHE 41 Cb 0.15 -0.48 0.19 0.00 -0.94 0.00 0.00 39.48 38.40 1rps n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1rps n PHE 42 N -2.03 0.23 0.08 1.38 3.72 -0.55 -4.81 117.46 115.49 1rps n PHE 42 Ca 0.02 -1.54 0.12 0.00 -0.05 0.00 0.00 57.45 55.99 1rps n PHE 42 Cb 0.45 -0.26 0.60 0.00 -0.94 0.00 0.00 39.48 39.33 1rps n PHE 42 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1rps h GLU 43 N 1.10 0.15 0.00 -1.08 4.11 -1.78 -0.69 114.58 116.39 1rps h GLU 43 Ca 0.03 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1rps h GLU 43 Cb 1.06 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1rps h GLU 43 CO 0.07 0.10 0.00 -1.13 0.07 0.00 0.00 179.01 178.12 1rps n SER 44 N -4.47 0.00 -0.41 3.06 3.41 -1.26 -3.11 113.62 110.84 1rps n SER 44 Ca 0.04 -1.09 0.14 0.00 -0.26 0.00 0.00 58.87 57.70 1rps n SER 44 Cb 0.29 0.00 0.57 0.00 -0.26 0.00 0.00 64.21 64.81 1rps n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1rps n PHE 45 N -0.84 0.03 -1.38 7.33 3.01 -0.27 -5.03 117.46 120.31 1rps n PHE 45 Ca 0.13 -0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.58 1rps n PHE 45 Cb 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 1rps n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rps n GLY 46 N 1.13 0.82 3.66 1.37 0.00 -1.18 -4.83 105.19 106.16 1rps n GLY 46 Ca 0.19 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 1rps n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rps s ASP 47 N -4.00 6.88 -0.08 1.61 2.15 -1.26 -4.89 116.67 117.07 1rps s ASP 47 Ca 0.00 1.65 0.15 0.00 0.43 0.00 0.00 52.55 54.78 1rps s ASP 47 Cb 0.00 -2.54 0.31 0.00 -0.30 0.00 0.00 42.92 40.39 1rps s ASP 47 CO 0.00 -0.83 1.14 0.18 -0.17 0.00 0.00 175.17 175.50 1rps n LEU 48 N 6.83 1.52 0.15 -1.34 4.77 -1.26 -4.35 117.00 123.32 1rps n LEU 48 Ca 0.14 -2.53 0.12 0.00 -0.03 0.00 0.00 56.01 53.72 1rps n LEU 48 Cb 0.45 -0.23 0.26 0.00 -2.33 0.00 0.00 43.42 41.57 1rps n LEU 48 CO 0.57 0.74 0.76 0.77 -1.33 0.00 0.00 177.39 178.91 1rps h SER 49 N 0.61 0.00 -5.08 -1.43 4.64 -1.91 -3.43 113.55 106.95 1rps h SER 49 Ca -0.07 -0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.07 1rps h SER 49 Cb 1.38 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.32 1rps h SER 49 CO 0.03 0.01 -0.68 0.42 -0.87 0.00 0.00 176.83 175.74 1rps s THR 50 N -3.17 0.34 0.19 2.95 -4.23 -1.26 -5.02 115.64 105.43 1rps s THR 50 Ca 0.08 -1.86 -0.13 0.00 -1.18 0.00 0.00 61.69 58.61 1rps s THR 50 Cb 0.09 -1.63 0.11 0.00 1.34 0.00 0.00 72.50 72.40 1rps s THR 50 CO 0.65 -0.90 1.72 -0.65 -0.54 0.00 0.00 174.62 174.91 1rps h PRO 51 N 3.06 0.26 -0.91 3.99 0.11 -1.99 -1.51 132.00 135.01 1rps h PRO 51 Ca -0.35 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.76 1rps h PRO 51 Cb 1.15 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 1rps h PRO 51 CO 0.65 0.17 0.60 -0.44 -0.21 0.00 0.00 178.00 178.78 1rps h ASP 52 N 0.27 1.03 -0.75 -2.05 3.32 -1.98 0.28 116.42 116.55 1rps h ASP 52 Ca 0.25 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 1rps h ASP 52 Cb 0.32 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1rps h ASP 52 CO -0.30 0.74 0.33 0.00 -1.72 0.00 0.00 179.24 178.28 1rps h ALA 53 N 1.44 0.97 0.49 3.45 0.00 -1.68 -1.83 119.26 122.10 1rps h ALA 53 Ca 0.34 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1rps h ALA 53 Cb -0.11 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.40 1rps h ALA 53 CO -0.08 0.56 -0.24 0.28 0.00 0.00 0.00 179.25 179.77 1rps h VAL 54 N 1.06 0.27 -0.11 0.00 2.07 -0.94 -2.23 116.25 116.37 1rps h VAL 54 Ca 0.25 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1rps h VAL 54 Cb 0.17 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1rps h VAL 54 CO -0.03 0.05 -0.00 0.24 0.02 0.00 0.00 177.57 177.85 1rps h MET 55 N -1.05 0.16 -0.02 1.57 2.07 -0.95 -1.94 114.93 114.76 1rps h MET 55 Ca -0.07 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.54 1rps h MET 55 Cb 0.59 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.29 1rps h MET 55 CO 0.11 0.18 -0.38 0.41 1.07 0.00 0.00 176.91 178.30 1rps n GLY 56 N -1.31 -0.00 3.68 8.32 0.00 -0.69 -4.84 105.19 110.34 1rps n GLY 56 Ca -0.01 -0.60 -0.48 0.00 0.00 0.00 0.00 46.02 44.93 1rps n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rps n ASN 57 N -0.01 3.38 0.23 1.61 2.85 -0.73 -4.87 115.26 117.71 1rps n ASN 57 Ca 0.11 0.99 0.10 0.00 -0.11 0.00 0.00 54.58 55.67 1rps n ASN 57 Cb 0.45 -1.38 0.48 0.00 1.24 0.00 0.00 39.78 40.58 1rps n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1rps h PRO 58 N 8.68 0.00 -0.09 1.20 0.11 -1.90 -2.04 132.00 137.96 1rps h PRO 58 Ca -0.48 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.43 1rps h PRO 58 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1rps h PRO 58 CO 0.94 0.22 -0.77 0.87 -0.21 0.00 0.00 178.00 179.04 1rps h LYS 59 N 0.00 0.51 -0.27 1.05 1.57 -1.89 -1.69 116.57 115.85 1rps h LYS 59 Ca -0.00 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 1rps h LYS 59 Cb 0.71 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1rps h LYS 59 CO 0.03 1.07 0.14 0.28 -0.57 0.00 0.00 179.45 180.39 1rps h VAL 60 N 0.34 1.14 -0.69 0.50 2.07 -1.78 -0.83 116.25 116.99 1rps h VAL 60 Ca -0.04 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 1rps h VAL 60 Cb 1.37 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 1rps h VAL 60 CO 0.14 0.14 0.30 0.11 0.02 0.00 0.00 177.57 178.27 1rps h LYS 61 N 0.32 1.02 -0.35 1.57 1.57 -1.37 -0.67 116.57 118.65 1rps h LYS 61 Ca 0.09 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1rps h LYS 61 Cb 0.10 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1rps h LYS 61 CO -0.01 0.83 -0.02 0.00 -0.57 0.00 0.00 179.45 179.68 1rps h ALA 62 N 1.14 0.48 -0.56 3.86 0.00 -1.16 -2.49 119.26 120.53 1rps h ALA 62 Ca 0.23 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1rps h ALA 62 Cb 0.18 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1rps h ALA 62 CO -0.02 0.27 0.14 1.25 0.00 0.00 0.00 179.25 180.89 1rps h HIS 63 N 0.45 0.88 -0.71 0.00 -0.00 -0.93 -2.46 115.15 112.37 1rps h HIS 63 Ca 0.10 -0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1rps h HIS 63 Cb 0.49 -0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 27.61 1rps h HIS 63 CO 0.04 0.73 0.45 0.78 -0.00 0.00 0.00 177.93 179.93 1rps h GLY 64 N 0.98 1.01 0.62 5.26 0.00 -0.89 -1.50 103.07 108.54 1rps h GLY 64 Ca 0.18 -0.39 0.08 0.00 0.00 0.00 0.00 47.33 47.20 1rps h GLY 64 CO -0.00 0.38 0.46 1.70 0.00 0.00 0.00 176.54 179.08 1rps h LYS 65 N 0.97 0.79 -0.46 4.80 3.64 -0.99 -1.93 116.57 123.38 1rps h LYS 65 Ca 0.26 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.48 1rps h LYS 65 Cb -0.08 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 1rps h LYS 65 CO -0.05 0.52 -0.16 0.87 -2.27 0.00 0.00 179.45 178.36 1rps h LYS 66 N 0.81 0.91 -0.51 1.90 1.57 -1.19 -1.24 116.57 118.82 1rps h LYS 66 Ca 0.37 -0.37 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1rps h LYS 66 Cb 0.27 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1rps h LYS 66 CO -0.21 1.03 0.33 0.28 -0.57 0.00 0.00 179.45 180.30 1rps h VAL 67 N 0.75 1.10 -0.02 0.50 2.07 -1.17 -1.68 116.25 117.80 1rps h VAL 67 Ca 0.11 -0.23 -0.19 0.00 0.82 0.00 0.00 66.70 67.21 1rps h VAL 67 Cb 0.72 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1rps h VAL 67 CO 0.06 0.12 -0.82 -0.07 0.02 0.00 0.00 177.57 176.88 1rps h LEU 68 N 0.66 0.36 -0.18 2.57 -0.00 -1.17 0.48 115.31 118.03 1rps h LEU 68 Ca 0.20 -0.27 -0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1rps h LEU 68 Cb -0.03 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.51 1rps h LEU 68 CO -0.06 1.04 0.11 1.23 -0.00 0.00 0.00 178.44 180.76 1rps h GLY 69 N 1.55 0.27 1.23 0.83 0.00 -1.11 0.21 103.07 106.03 1rps h GLY 69 Ca -0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 1rps h GLY 69 CO 0.13 0.10 0.29 0.00 0.00 0.00 0.00 176.54 177.06 1rps h ALA 70 N 1.04 1.22 -0.66 3.60 0.00 -1.12 -2.33 119.26 121.01 1rps h ALA 70 Ca 0.07 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1rps h ALA 70 Cb 0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1rps h ALA 70 CO -0.01 0.58 0.42 0.35 0.00 0.00 0.00 179.25 180.59 1rps h PHE 71 N 0.98 0.80 -0.86 0.00 3.04 0.05 -2.43 116.94 118.52 1rps h PHE 71 Ca 0.23 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.20 1rps h PHE 71 Cb 0.16 -0.26 -0.04 0.00 2.56 0.00 0.00 35.95 38.37 1rps h PHE 71 CO 0.01 0.47 0.50 0.77 -2.02 0.00 0.00 178.31 178.05 1rps h SER 72 N 0.84 1.03 0.26 0.41 0.02 -0.35 -0.18 113.55 115.59 1rps h SER 72 Ca 0.26 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 61.06 1rps h SER 72 Cb -0.03 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 1rps h SER 72 CO -0.08 0.80 -0.33 0.44 -1.14 0.00 0.00 176.83 176.52 1rps h ASP 73 N 1.18 0.11 0.22 3.07 5.19 -1.10 -1.09 116.42 124.00 1rps h ASP 73 Ca 0.31 -0.04 -0.09 0.00 -0.62 0.00 0.00 57.03 56.59 1rps h ASP 73 Cb -0.03 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 1rps h ASP 73 CO -0.06 0.44 -0.36 1.23 -3.12 0.00 0.00 179.24 177.38 1rps h GLY 74 N 1.06 0.22 2.00 2.75 0.00 -0.57 -2.66 103.07 105.87 1rps h GLY 74 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1rps h GLY 74 CO 0.05 0.17 0.00 1.41 0.00 0.00 0.00 176.54 178.17 1rps h LEU 75 N 0.17 0.00 0.00 3.11 3.38 -0.63 -1.91 115.31 119.44 1rps h LEU 75 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1rps h LEU 75 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1rps h LEU 75 CO 0.05 0.00 -0.25 0.00 0.09 0.00 0.00 178.44 178.33 1rps n ALA 76 N -1.89 2.65 -2.69 1.53 0.00 -1.01 -4.23 120.51 114.88 1rps n ALA 76 Ca 0.02 -0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.18 1rps n ALA 76 Cb 0.28 -1.34 0.02 0.00 0.00 0.00 0.00 19.45 18.41 1rps n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1rps n HIS 77 N -1.97 1.54 0.31 0.00 8.25 -0.73 -4.94 115.22 117.67 1rps n HIS 77 Ca 0.05 -2.98 0.20 0.00 -0.26 0.00 0.00 57.72 54.73 1rps n HIS 77 Cb 0.40 -0.33 1.03 0.00 1.12 0.00 0.00 29.99 32.21 1rps n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1rps h LEU 78 N 2.92 0.00 -0.59 2.41 3.38 -1.69 -0.12 115.31 121.62 1rps h LEU 78 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rps h LEU 78 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1rps h LEU 78 CO 0.57 0.00 -0.11 0.47 0.09 0.00 0.00 178.44 179.46 1rps n ASP 79 N -2.94 1.03 -3.05 -0.43 8.00 -1.26 -2.58 116.55 115.31 1rps n ASP 79 Ca -0.02 -1.08 -0.16 0.00 0.71 0.00 0.00 54.79 54.25 1rps n ASP 79 Cb 0.11 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1rps n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1rps n ASN 80 N -0.41 -0.19 -0.16 -2.24 5.15 -0.06 -4.73 115.26 112.61 1rps n ASN 80 Ca 0.16 -3.17 -0.11 0.00 -0.60 0.00 0.00 54.58 50.86 1rps n ASN 80 Cb 0.32 0.13 0.01 0.00 -0.53 0.00 0.00 39.78 39.71 1rps n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1rps h LEU 81 N 3.13 1.02 0.26 1.20 3.38 -1.76 -1.60 115.31 120.94 1rps h LEU 81 Ca 0.04 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 1rps h LEU 81 Cb 1.00 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1rps h LEU 81 CO 0.39 1.17 -0.19 0.11 0.09 0.00 0.00 178.44 180.02 1rps h LYS 82 N 0.87 -0.43 -0.20 1.13 1.57 -1.92 -1.28 116.57 116.31 1rps h LYS 82 Ca 0.12 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1rps h LYS 82 Cb 0.76 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1rps h LYS 82 CO 0.06 -0.29 0.13 0.78 -0.57 0.00 0.00 179.45 179.56 1rps h GLY 83 N -0.45 0.29 0.48 3.86 0.00 -1.95 -0.28 103.07 105.02 1rps h GLY 83 Ca -0.02 -0.11 0.14 0.00 0.00 0.00 0.00 47.33 47.34 1rps h GLY 83 CO 0.00 0.11 0.59 -0.84 0.00 0.00 0.00 176.54 176.41 1rps h THR 84 N 0.26 0.84 -0.31 4.70 2.02 -1.05 -2.43 112.91 116.94 1rps h THR 84 Ca 0.07 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1rps h THR 84 Cb -0.00 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.42 1rps h THR 84 CO -0.01 0.14 0.00 0.49 0.37 0.00 0.00 175.52 176.50 1rps n PHE 85 N -4.59 0.39 -0.16 3.16 3.72 -0.50 -4.73 117.46 114.76 1rps n PHE 85 Ca 0.18 -0.23 -0.08 0.00 -0.05 0.00 0.00 57.45 57.27 1rps n PHE 85 Cb 0.45 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.97 1rps n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rps h ALA 86 N 3.88 -0.26 -0.09 4.37 0.00 -0.53 0.16 119.26 126.79 1rps h ALA 86 Ca 0.00 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1rps h ALA 86 Cb 0.89 0.84 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1rps h ALA 86 CO 0.00 -0.78 -0.50 1.79 0.00 0.00 0.00 179.25 179.75 1rps h THR 87 N -0.25 1.35 -0.71 0.00 1.35 -1.85 -2.02 112.91 110.78 1rps h THR 87 Ca 0.18 -1.75 -0.07 0.00 -0.55 0.00 0.00 66.41 64.22 1rps h THR 87 Cb 0.56 1.84 -0.03 0.00 -1.73 0.00 0.00 68.15 68.79 1rps h THR 87 CO -0.62 0.52 0.17 -0.07 -0.25 0.00 0.00 175.52 175.28 1rps h LEU 88 N 0.20 1.08 -0.34 3.87 4.07 -1.76 -1.80 115.31 120.62 1rps h LEU 88 Ca 0.01 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.74 1rps h LEU 88 Cb 0.96 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.40 1rps h LEU 88 CO 0.08 1.03 0.22 -1.28 -1.08 0.00 0.00 178.44 177.41 1rps h SER 89 N 1.08 0.39 -0.91 -0.43 0.87 -0.29 -1.36 113.55 112.89 1rps h SER 89 Ca 0.22 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1rps h SER 89 Cb 0.37 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.19 1rps h SER 89 CO 0.00 0.29 0.60 -0.33 -0.53 0.00 0.00 176.83 176.86 1rps h GLU 90 N 0.46 1.21 -0.08 2.24 5.08 -1.21 -2.10 114.58 120.17 1rps h GLU 90 Ca 0.12 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1rps h GLU 90 Cb -0.05 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 28.93 1rps h GLU 90 CO -0.03 0.80 -0.01 1.25 -1.00 0.00 0.00 179.01 180.02 1rps h LEU 91 N 1.24 0.15 -1.34 1.33 5.85 -0.92 0.30 115.31 121.92 1rps h LEU 91 Ca 0.33 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1rps h LEU 91 Cb -0.14 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1rps h LEU 91 CO -0.07 0.46 0.03 0.45 -0.34 0.00 0.00 178.44 178.97 1rps h HIS 92 N -0.17 0.48 0.06 1.25 3.86 -1.11 -0.15 115.15 119.36 1rps h HIS 92 Ca 0.02 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1rps h HIS 92 Cb 0.39 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1rps h HIS 92 CO 0.05 0.46 -0.03 0.00 0.86 0.00 0.00 177.93 179.26 1rps h ASP 94 N -0.35 0.00 0.00 0.00 3.32 -0.98 -2.77 116.42 115.64 1rps h ASP 94 Ca -0.01 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.66 1rps h ASP 94 Cb 0.07 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.55 1rps h ASP 94 CO 0.01 0.67 -2.33 0.29 -1.72 0.00 0.00 179.24 176.16 1rps n LYS 95 N -3.60 0.53 0.08 3.56 4.01 -0.17 -4.71 118.16 117.87 1rps n LYS 95 Ca -0.00 0.19 0.09 0.00 -0.51 0.00 0.00 58.31 58.08 1rps n LYS 95 Cb 0.69 -1.40 -0.03 0.00 -0.51 0.00 0.00 35.03 33.79 1rps n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1rps n LEU 96 N -3.75 0.81 -3.30 -0.35 4.77 -0.61 -4.99 117.00 109.59 1rps n LEU 96 Ca -0.45 0.32 -0.19 0.00 -0.03 0.00 0.00 56.01 55.66 1rps n LEU 96 Cb 0.87 -0.03 0.08 0.00 -2.33 0.00 0.00 43.42 42.01 1rps n LEU 96 CO 0.10 -0.11 0.16 1.41 -1.33 0.00 0.00 177.39 177.62 1rps n HIS 97 N -2.70 -2.34 -3.58 -1.77 8.25 -0.50 -4.98 115.22 107.60 1rps n HIS 97 Ca -0.02 0.90 -0.38 0.00 -0.26 0.00 0.00 57.72 57.96 1rps n HIS 97 Cb 0.61 -4.80 -0.11 0.00 1.12 0.00 0.00 29.99 26.82 1rps n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1rps s VAL 98 N -3.31 5.30 -0.10 1.59 1.01 -0.46 -5.03 120.40 119.40 1rps s VAL 98 Ca 0.26 0.18 -0.32 0.00 0.00 0.00 0.00 61.98 62.10 1rps s VAL 98 Cb -0.12 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 1rps s VAL 98 CO 0.67 0.24 1.98 -0.67 0.00 0.00 0.00 175.10 177.33 1rps n ASP 99 N 5.08 3.48 0.16 3.32 -0.08 -1.26 -4.72 116.55 122.53 1rps n ASP 99 Ca -0.14 0.79 0.19 0.00 -1.51 0.00 0.00 54.79 54.13 1rps n ASP 99 Cb 0.52 -1.42 0.76 0.00 2.34 0.00 0.00 41.12 43.31 1rps n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1rps h PRO 100 N 10.69 0.00 -0.48 -0.67 0.11 -1.97 -0.35 132.00 139.33 1rps h PRO 100 Ca -0.46 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.77 1rps h PRO 100 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1rps h PRO 100 CO 0.96 0.00 0.34 1.49 -0.21 0.00 0.00 178.00 180.57 1rps h GLU 101 N 0.00 0.10 0.00 1.05 4.57 -1.98 -0.07 114.58 118.25 1rps h GLU 101 Ca 0.14 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 1rps h GLU 101 Cb 0.98 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.55 1rps h GLU 101 CO -0.00 0.06 -0.05 -0.91 -1.18 0.00 0.00 179.01 176.93 1rps h ASN 102 N 0.10 0.00 -0.00 1.04 4.21 -1.42 -1.62 115.58 117.89 1rps h ASN 102 Ca 0.23 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.66 1rps h ASN 102 Cb 0.78 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.96 1rps h ASN 102 CO -0.02 0.05 -0.21 -0.26 -1.29 0.00 0.00 177.43 175.70 1rps h PHE 103 N 0.00 0.41 -0.13 1.19 0.04 -1.18 -1.55 116.94 115.72 1rps h PHE 103 Ca -0.00 -0.07 -0.22 0.00 2.80 0.00 0.00 57.97 60.48 1rps h PHE 103 Cb 0.10 -0.11 0.01 0.00 2.20 0.00 0.00 35.95 38.15 1rps h PHE 103 CO 0.00 0.56 -0.78 0.00 -0.60 0.00 0.00 178.31 177.49 1rps h ARG 104 N 0.34 0.70 -0.27 1.51 3.08 -1.36 -1.90 114.38 116.48 1rps h ARG 104 Ca 0.06 -0.58 -0.00 0.00 0.07 0.00 0.00 59.98 59.53 1rps h ARG 104 Cb 0.56 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 1rps h ARG 104 CO 0.04 1.19 0.17 -0.07 -1.07 0.00 0.00 179.97 180.23 1rps h LEU 105 N 0.47 0.32 -0.79 3.04 3.38 -1.29 -1.88 115.31 118.57 1rps h LEU 105 Ca -0.05 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1rps h LEU 105 Cb 1.40 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.03 1rps h LEU 105 CO 0.16 0.27 0.49 0.25 0.09 0.00 0.00 178.44 179.69 1rps h LEU 106 N 0.35 0.94 -0.66 1.67 5.85 -1.24 -1.93 115.31 120.28 1rps h LEU 106 Ca 0.10 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1rps h LEU 106 Cb 0.01 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 1rps h LEU 106 CO -0.02 0.72 0.37 1.23 -0.34 0.00 0.00 178.44 180.40 1rps h GLY 107 N 1.08 0.96 1.41 3.75 0.00 -0.94 0.57 103.07 109.90 1rps h GLY 107 Ca 0.28 -0.26 -0.15 0.00 0.00 0.00 0.00 47.33 47.20 1rps h GLY 107 CO -0.06 0.17 -0.47 3.43 0.00 0.00 0.00 176.54 179.62 1rps h ASN 108 N 0.70 0.69 -0.55 0.19 2.35 -1.09 -2.24 115.58 115.63 1rps h ASN 108 Ca 0.29 -0.34 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1rps h ASN 108 Cb 0.15 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1rps h ASN 108 CO -0.17 1.05 0.24 0.58 -1.65 0.00 0.00 177.43 177.48 1rps h VAL 109 N 0.51 1.21 -1.00 2.81 2.07 -0.88 -2.19 116.25 118.78 1rps h VAL 109 Ca 0.03 -0.65 0.10 0.00 0.82 0.00 0.00 66.70 67.00 1rps h VAL 109 Cb 1.01 0.62 -0.08 0.00 -1.52 0.00 0.00 31.29 31.32 1rps h VAL 109 CO 0.09 0.25 0.64 0.25 0.02 0.00 0.00 177.57 178.82 1rps h LEU 110 N 0.75 0.96 -0.35 2.57 5.85 -0.63 0.41 115.31 124.87 1rps h LEU 110 Ca 0.19 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 1rps h LEU 110 Cb 0.17 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1rps h LEU 110 CO -0.02 0.55 0.08 0.58 -0.34 0.00 0.00 178.44 179.29 1rps h VAL 111 N 1.05 1.23 -0.99 1.05 2.07 -1.20 0.17 116.25 119.63 1rps h VAL 111 Ca 0.48 -0.78 0.07 0.00 0.82 0.00 0.00 66.70 67.29 1rps h VAL 111 Cb 0.39 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.15 1rps h VAL 111 CO -0.23 0.26 0.64 0.00 0.02 0.00 0.00 177.57 178.26 1rps h VAL 113 N 1.13 1.28 -0.42 0.00 2.07 0.02 -0.80 116.25 119.53 1rps h VAL 113 Ca 0.43 -1.63 0.02 0.00 0.82 0.00 0.00 66.70 66.35 1rps h VAL 113 Cb 0.20 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1rps h VAL 113 CO -0.18 0.54 0.24 -0.07 0.02 0.00 0.00 177.57 178.12 1rps h LEU 114 N 0.69 0.38 -0.44 2.57 3.38 -0.38 -2.14 115.31 119.37 1rps h LEU 114 Ca 0.04 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1rps h LEU 114 Cb 1.03 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 1rps h LEU 114 CO 0.10 0.27 0.10 0.00 0.09 0.00 0.00 178.44 179.00 1rps h ALA 115 N 1.20 0.49 -0.46 1.53 0.00 -0.63 -1.33 119.26 120.06 1rps h ALA 115 Ca 0.17 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1rps h ALA 115 Cb 0.03 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1rps h ALA 115 CO -0.09 -0.30 0.29 1.25 0.00 0.00 0.00 179.25 180.39 1rps h HIS 116 N 0.23 0.54 -0.06 0.00 -0.00 -0.66 -0.39 115.15 114.81 1rps h HIS 116 Ca 0.21 0.01 -0.20 0.00 -0.00 0.00 0.00 60.37 60.40 1rps h HIS 116 Cb 0.26 -0.18 -0.00 0.00 -0.00 0.00 0.00 27.41 27.49 1rps h HIS 116 CO -0.20 0.33 -0.79 0.45 -0.00 0.00 0.00 177.93 177.71 1rps h HIS 117 N 0.58 0.58 0.00 5.26 -0.00 -1.17 -3.37 115.15 117.03 1rps h HIS 117 Ca 0.18 -0.28 0.00 0.00 -0.00 0.00 0.00 60.37 60.27 1rps h HIS 117 Cb -0.03 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.30 1rps h HIS 117 CO -0.06 1.05 -1.34 1.19 -0.00 0.00 0.00 177.93 178.77 1rps n PHE 118 N -3.81 0.00 -3.85 2.45 3.72 -0.52 -5.05 117.46 110.40 1rps n PHE 118 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1rps n PHE 118 Cb 0.75 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 39.09 1rps n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rps n GLY 119 N 1.42 3.13 0.46 1.37 0.00 -0.17 -2.26 105.19 109.15 1rps n GLY 119 Ca 0.01 -0.31 0.32 0.00 0.00 0.00 0.00 46.02 46.04 1rps n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1rps h LYS 120 N 0.00 0.19 0.00 1.61 -0.00 -1.97 0.18 116.57 116.58 1rps h LYS 120 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.64 1rps h LYS 120 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 32.19 1rps h LYS 120 CO 0.00 0.12 0.00 1.49 -0.00 0.00 0.00 179.45 181.06 1rps h GLU 121 N 0.19 0.00 -4.39 0.07 4.81 -1.85 -3.22 114.58 110.20 1rps h GLU 121 Ca 0.71 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 59.19 1rps h GLU 121 Cb 2.16 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 31.36 1rps h GLU 121 CO -0.31 0.00 1.44 0.34 -0.73 0.00 0.00 179.01 179.75 1rps n PHE 122 N -2.31 4.52 -1.63 0.92 7.35 0.64 -4.94 117.46 122.01 1rps n PHE 122 Ca 0.00 -3.26 -0.30 0.00 -0.76 0.00 0.00 57.45 53.13 1rps n PHE 122 Cb 0.14 -2.09 0.06 0.00 0.35 0.00 0.00 39.48 37.94 1rps n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1rps s THR 123 N 1.07 3.67 0.16 -2.13 -4.23 -1.22 -4.75 115.64 108.20 1rps s THR 123 Ca 0.41 0.54 -0.18 0.00 -1.18 0.00 0.00 61.69 61.29 1rps s THR 123 Cb -0.00 -3.34 0.08 0.00 1.34 0.00 0.00 72.50 70.57 1rps s THR 123 CO 0.00 -0.71 1.67 -0.65 -0.54 0.00 0.00 174.62 174.40 1rps h PRO 124 N -0.81 -0.00 -0.54 3.99 0.11 -1.93 0.10 132.00 132.90 1rps h PRO 124 Ca -0.45 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.70 1rps h PRO 124 Cb 1.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1rps h PRO 124 CO 0.59 -0.00 0.36 -1.35 -0.21 0.00 0.00 178.00 177.39 1rps h PRO 125 N -0.00 0.59 -0.21 1.05 0.11 -1.99 -0.48 132.00 131.07 1rps h PRO 125 Ca 0.18 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.08 1rps h PRO 125 Cb 0.27 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 1rps h PRO 125 CO -0.38 0.39 -0.56 0.28 -0.21 0.00 0.00 178.00 177.52 1rps h VAL 126 N 0.60 1.31 0.33 3.15 2.07 -1.63 -2.53 116.25 119.56 1rps h VAL 126 Ca 0.22 -1.80 -0.02 0.00 0.82 0.00 0.00 66.70 65.93 1rps h VAL 126 Cb 0.13 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1rps h VAL 126 CO -0.06 0.56 -0.16 -0.61 0.02 0.00 0.00 177.57 177.33 1rps h GLN 127 N 0.48 -0.43 -0.98 1.57 4.15 0.13 -2.06 115.11 117.97 1rps h GLN 127 Ca 0.01 0.03 0.29 0.00 0.77 0.00 0.00 58.65 59.75 1rps h GLN 127 Cb 1.12 0.10 -0.14 0.00 0.21 0.00 0.00 27.48 28.77 1rps h GLN 127 CO 0.11 -0.20 0.53 0.00 -1.93 0.00 0.00 178.83 177.34 1rps h ALA 128 N 0.06 1.83 -0.22 3.38 0.00 -1.07 0.15 119.26 123.38 1rps h ALA 128 Ca -0.05 0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1rps h ALA 128 Cb 0.42 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1rps h ALA 128 CO 0.07 -0.49 -0.20 0.00 0.00 0.00 0.00 179.25 178.63 1rps h ALA 129 N 1.81 0.32 -0.10 0.00 0.00 -1.10 -2.79 119.26 117.40 1rps h ALA 129 Ca 0.69 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1rps h ALA 129 Cb 1.50 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1rps h ALA 129 CO -0.58 0.26 -0.03 1.88 0.00 0.00 0.00 179.25 180.78 1rps h TYR 130 N 0.22 0.15 -0.52 0.00 0.05 -0.52 -1.91 116.97 114.43 1rps h TYR 130 Ca 0.04 -0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.72 1rps h TYR 130 Cb 0.75 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.42 1rps h TYR 130 CO 0.08 0.18 -0.03 1.96 -1.05 0.00 0.00 178.16 179.30 1rps h GLN 131 N 0.15 0.95 -0.46 4.88 1.08 -0.60 0.28 115.11 121.38 1rps h GLN 131 Ca 0.04 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 1rps h GLN 131 Cb 0.15 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 1rps h GLN 131 CO 0.01 0.98 0.30 0.87 -0.95 0.00 0.00 178.83 180.03 1rps h LYS 132 N 0.82 0.62 0.19 1.46 1.57 -1.21 -1.81 116.57 118.20 1rps h LYS 132 Ca 0.14 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1rps h LYS 132 Cb 0.57 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1rps h LYS 132 CO 0.03 0.42 -0.13 0.28 -0.57 0.00 0.00 179.45 179.48 1rps h VAL 133 N 0.63 0.72 -0.07 0.50 2.07 -1.00 -0.90 116.25 118.20 1rps h VAL 133 Ca 0.17 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.62 1rps h VAL 133 Cb -0.06 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1rps h VAL 133 CO -0.04 0.00 -0.27 -0.37 0.02 0.00 0.00 177.57 176.91 1rps h VAL 134 N -0.32 1.22 -0.50 2.57 -1.51 -0.87 -0.09 116.25 116.75 1rps h VAL 134 Ca -0.01 -1.06 -0.13 0.00 -1.23 0.00 0.00 66.70 64.27 1rps h VAL 134 Cb 0.28 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 30.90 1rps h VAL 134 CO 0.01 0.31 -0.18 0.00 -1.23 0.00 0.00 177.57 176.48 1rps h ALA 135 N 1.62 0.69 -0.33 5.19 0.00 -1.20 -0.68 119.26 124.56 1rps h ALA 135 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1rps h ALA 135 Cb 0.54 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1rps h ALA 135 CO 0.04 0.66 0.21 0.78 0.00 0.00 0.00 179.25 180.94 1rps h GLY 136 N 0.87 0.47 1.02 0.00 0.00 -0.21 0.09 103.07 105.32 1rps h GLY 136 Ca 0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 1rps h GLY 136 CO 0.06 0.18 0.32 -2.08 0.00 0.00 0.00 176.54 175.02 1rps h VAL 137 N 0.44 1.25 -0.73 4.60 2.07 -0.98 -0.93 116.25 121.97 1rps h VAL 137 Ca 0.12 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1rps h VAL 137 Cb -0.03 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 1rps h VAL 137 CO -0.02 0.30 0.28 0.00 0.02 0.00 0.00 177.57 178.15 1rps h ALA 138 N 1.16 1.12 -0.50 1.67 0.00 -0.37 -1.26 119.26 121.07 1rps h ALA 138 Ca 0.25 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1rps h ALA 138 Cb 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1rps h ALA 138 CO -0.03 0.63 -0.16 -0.91 0.00 0.00 0.00 179.25 178.78 1rps h ASN 139 N 1.06 1.00 -0.21 0.00 2.35 -0.63 -2.48 115.58 116.66 1rps h ASN 139 Ca 0.24 -0.37 -0.12 0.00 -0.55 0.00 0.00 56.30 55.50 1rps h ASN 139 Cb 0.22 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1rps h ASN 139 CO -0.02 1.15 -0.28 0.00 -1.65 0.00 0.00 177.43 176.63 1rps h ALA 140 N 0.89 0.88 0.00 -0.83 0.00 -0.92 -2.32 119.26 116.95 1rps h ALA 140 Ca 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1rps h ALA 140 Cb 0.73 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1rps h ALA 140 CO 0.06 0.63 0.00 -0.07 0.00 0.00 0.00 179.25 179.87 1rps h LEU 141 N 0.60 0.00 -0.43 0.00 3.38 -1.04 -2.89 115.31 114.93 1rps h LEU 141 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1rps h LEU 141 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1rps h LEU 141 CO 0.06 0.00 -0.50 0.00 0.09 0.00 0.00 178.44 178.09 1rps n ALA 142 N -1.98 3.62 0.12 1.53 0.00 -0.95 -4.42 120.51 118.44 1rps n ALA 142 Ca 0.01 -0.49 -0.02 0.00 0.00 0.00 0.00 53.44 52.94 1rps n ALA 142 Cb 0.29 -0.97 0.17 0.00 0.00 0.00 0.00 19.45 18.94 1rps n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1rps h HIS 143 N 1.05 0.11 -0.40 0.00 2.07 -1.21 -2.72 115.15 114.06 1rps h HIS 143 Ca 0.00 -0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.48 1rps h HIS 143 Cb 0.57 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.53 1rps h HIS 143 CO 0.00 0.65 0.00 1.63 -3.07 0.00 0.00 177.93 177.14 1rps n LYS 144 N -3.86 2.00 -2.44 5.12 4.76 -1.26 -4.92 118.16 117.55 1rps n LYS 144 Ca -0.02 -1.46 -0.37 0.00 -2.87 0.00 0.00 58.31 53.60 1rps n LYS 144 Cb 0.59 -1.35 -0.03 0.00 -1.84 0.00 0.00 35.03 32.40 1rps n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1rps s TYR 145 N -1.49 3.16 0.00 2.13 1.51 -1.03 -4.78 117.35 116.85 1rps s TYR 145 Ca 0.27 1.61 0.00 0.00 -1.01 0.00 0.00 57.07 57.94 1rps s TYR 145 Cb 0.14 -3.22 0.00 0.00 -0.11 0.00 0.00 41.96 38.77 1rps s TYR 145 CO 0.18 -0.91 0.00 -2.39 -1.11 0.00 0.00 175.55 171.31