#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dps s LEU 15 N 0.00 3.66 0.27 2.23 1.43 0.30 -5.01 118.68 121.55 1dps s LEU 15 Ca 0.00 1.71 -0.29 0.00 -1.03 0.00 0.00 54.13 54.51 1dps s LEU 15 Cb 0.00 -4.53 -0.09 0.00 0.03 0.00 0.00 46.19 41.60 1dps s LEU 15 CO 0.00 -0.75 1.22 -0.47 0.23 0.00 0.00 176.35 176.58 1dps s TYR 16 N -2.43 3.32 -0.11 0.29 5.04 -1.26 -4.57 117.35 117.63 1dps s TYR 16 Ca 0.62 1.48 -0.29 0.00 -2.44 0.00 0.00 57.07 56.44 1dps s TYR 16 Cb -0.12 -3.50 0.07 0.00 0.35 0.00 0.00 41.96 38.76 1dps s TYR 16 CO 0.29 -1.33 0.68 -0.08 -1.34 0.00 0.00 175.55 173.77 1dps s THR 17 N -0.77 0.00 -0.69 4.34 -1.32 -1.26 -5.00 115.64 110.94 1dps s THR 17 Ca 0.49 -0.01 0.21 0.00 -1.21 0.00 0.00 61.69 61.17 1dps s THR 17 Cb -0.36 -0.98 0.21 0.00 -1.51 0.00 0.00 72.50 69.86 1dps s THR 17 CO 0.44 -0.01 1.64 0.54 -2.21 0.00 0.00 174.62 175.02 1dps n ARG 18 N 1.40 0.13 -1.68 7.08 1.74 -1.26 -4.75 116.66 119.32 1dps n ARG 18 Ca -0.18 0.33 -0.45 0.00 -0.77 0.00 0.00 57.85 56.79 1dps n ARG 18 Cb 0.56 -1.73 -0.04 0.00 -1.02 0.00 0.00 32.46 30.24 1dps n ARG 18 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1dps n ASN 19 N -1.96 3.77 -1.55 0.55 2.85 -1.26 -4.89 115.26 112.77 1dps n ASN 19 Ca 0.03 0.97 0.06 0.00 -0.11 0.00 0.00 54.58 55.53 1dps n ASN 19 Cb 0.23 -1.47 0.31 0.00 1.24 0.00 0.00 39.78 40.09 1dps n ASN 19 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1dps n ASP 20 N 6.22 4.57 -4.76 1.20 5.75 -1.26 -4.92 116.55 123.35 1dps n ASP 20 Ca 0.20 -2.68 -0.41 0.00 -0.01 0.00 0.00 54.79 51.89 1dps n ASP 20 Cb 0.35 -0.63 -0.00 0.00 -1.03 0.00 0.00 41.12 39.80 1dps n ASP 20 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1dps n VAL 21 N 0.52 1.74 -1.46 2.12 0.31 -1.26 -4.91 118.33 115.39 1dps n VAL 21 Ca 0.21 -0.44 -0.36 0.00 -0.01 0.00 0.00 64.34 63.75 1dps n VAL 21 Cb 0.96 -1.94 0.08 0.00 -0.91 0.00 0.00 33.84 32.03 1dps n VAL 21 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1dps n SER 22 N 0.91 0.95 -0.25 4.52 3.41 -1.26 -4.72 113.62 117.19 1dps n SER 22 Ca 0.03 0.72 0.03 0.00 -0.26 0.00 0.00 58.87 59.39 1dps n SER 22 Cb 0.38 -1.45 0.16 0.00 -0.26 0.00 0.00 64.21 63.04 1dps n SER 22 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1dps h ASP 23 N -0.03 0.36 -0.08 4.04 5.19 -1.98 0.88 116.42 124.80 1dps h ASP 23 Ca -0.48 0.08 0.01 0.00 -0.62 0.00 0.00 57.03 56.02 1dps h ASP 23 Cb 1.34 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.87 1dps h ASP 23 CO 0.49 0.18 0.03 -1.28 -3.12 0.00 0.00 179.24 175.53 1dps h SER 24 N 0.51 0.03 -0.10 6.45 0.87 -2.00 -0.73 113.55 118.59 1dps h SER 24 Ca 0.38 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.83 1dps h SER 24 Cb 0.49 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1dps h SER 24 CO -0.33 0.03 -0.33 -0.08 -0.53 0.00 0.00 176.83 175.58 1dps h GLU 25 N 0.07 0.59 -0.12 2.24 4.81 -1.81 -2.08 114.58 118.27 1dps h GLU 25 Ca 0.04 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1dps h GLU 25 Cb 0.02 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1dps h GLU 25 CO -0.04 0.84 0.08 0.87 -0.73 0.00 0.00 179.01 180.03 1dps h LYS 26 N 0.50 0.16 -0.76 1.92 1.57 -0.55 -0.52 116.57 118.90 1dps h LYS 26 Ca 0.06 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1dps h LYS 26 Cb 0.81 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 1dps h LYS 26 CO 0.07 0.11 0.25 0.87 -0.57 0.00 0.00 179.45 180.17 1dps h LYS 27 N 0.16 1.17 -0.38 3.15 1.57 -1.03 0.21 116.57 121.42 1dps h LYS 27 Ca 0.05 -0.24 -0.12 0.00 -1.87 0.00 0.00 60.65 58.46 1dps h LYS 27 Cb -0.02 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1dps h LYS 27 CO -0.01 0.98 -0.24 0.00 -0.57 0.00 0.00 179.45 179.61 1dps h ALA 28 N 1.13 0.86 -0.25 3.86 0.00 -1.22 -2.08 119.26 121.56 1dps h ALA 28 Ca 0.25 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1dps h ALA 28 Cb 0.29 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1dps h ALA 28 CO -0.01 0.63 -0.29 1.15 0.00 0.00 0.00 179.25 180.73 1dps h THR 29 N 0.66 1.31 -0.65 0.00 2.02 -0.71 -2.02 112.91 113.53 1dps h THR 29 Ca 0.09 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.80 1dps h THR 29 Cb 0.75 1.67 -0.03 0.00 -1.74 0.00 0.00 68.15 68.81 1dps h THR 29 CO 0.06 0.46 0.42 0.58 0.37 0.00 0.00 175.52 177.41 1dps h VAL 30 N 0.36 1.18 -0.51 3.16 2.07 -0.92 0.30 116.25 121.89 1dps h VAL 30 Ca 0.04 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1dps h VAL 30 Cb 0.86 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1dps h VAL 30 CO 0.07 0.17 0.20 -0.33 0.02 0.00 0.00 177.57 177.71 1dps h GLU 31 N 0.88 0.77 -0.21 1.57 4.39 -1.29 -0.91 114.58 119.78 1dps h GLU 31 Ca 0.24 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 1dps h GLU 31 Cb -0.07 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 1dps h GLU 31 CO -0.05 0.68 0.10 1.25 -1.16 0.00 0.00 179.01 179.83 1dps h LEU 32 N 0.69 0.27 -0.66 1.33 6.46 -1.05 -2.61 115.31 119.74 1dps h LEU 32 Ca 0.17 -0.12 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1dps h LEU 32 Cb 0.20 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 1dps h LEU 32 CO -0.01 0.31 0.29 -0.07 -0.62 0.00 0.00 178.44 178.34 1dps h LEU 33 N 0.21 0.88 -1.33 2.25 3.38 -0.76 -2.75 115.31 117.19 1dps h LEU 33 Ca 0.07 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1dps h LEU 33 Cb 0.11 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1dps h LEU 33 CO -0.01 0.78 -0.06 0.78 0.09 0.00 0.00 178.44 180.02 1dps h ASN 34 N 0.91 0.35 -0.49 -0.43 2.35 -1.11 0.07 115.58 117.23 1dps h ASN 34 Ca 0.22 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 1dps h ASN 34 Cb 0.15 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1dps h ASN 34 CO -0.02 0.46 0.16 0.03 -1.65 0.00 0.00 177.43 176.41 1dps h ARG 35 N 0.36 0.75 -0.40 0.81 3.08 -1.19 -1.77 114.38 116.03 1dps h ARG 35 Ca 0.08 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 1dps h ARG 35 Cb 0.34 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1dps h ARG 35 CO 0.02 0.71 -0.01 1.96 -1.07 0.00 0.00 179.97 181.57 1dps h GLN 36 N 0.65 0.71 -0.68 0.04 1.08 -1.16 -3.01 115.11 112.75 1dps h GLN 36 Ca 0.16 -0.23 0.06 0.00 -1.45 0.00 0.00 58.65 57.19 1dps h GLN 36 Cb 0.26 -0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.57 1dps h GLN 36 CO -0.01 0.81 0.37 0.28 -0.95 0.00 0.00 178.83 179.33 1dps h VAL 37 N 0.53 0.95 0.09 -0.54 2.07 -0.78 -0.48 116.25 118.10 1dps h VAL 37 Ca 0.11 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.41 1dps h VAL 37 Cb 0.49 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1dps h VAL 37 CO 0.02 0.12 -0.14 0.40 0.02 0.00 0.00 177.57 178.00 1dps h ILE 38 N 0.68 0.68 0.00 4.57 2.04 -1.23 -1.15 117.51 123.10 1dps h ILE 38 Ca 0.31 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.08 1dps h ILE 38 Cb 0.22 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1dps h ILE 38 CO -0.20 0.00 -0.42 0.06 0.00 0.00 0.00 178.15 177.59 1dps h GLN 39 N -0.28 0.00 -0.22 2.37 3.07 -1.36 -1.90 115.11 116.79 1dps h GLN 39 Ca 0.02 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.56 1dps h GLN 39 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.85 1dps h GLN 39 CO -0.07 0.42 -0.63 0.74 0.09 0.00 0.00 178.83 179.38 1dps h PHE 40 N 0.00 1.06 -0.34 0.06 -1.00 -0.93 0.20 116.94 115.99 1dps h PHE 40 Ca -0.00 -0.42 -0.05 0.00 2.81 0.00 0.00 57.97 60.31 1dps h PHE 40 Cb 1.07 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.43 1dps h PHE 40 CO 0.00 1.25 0.02 0.82 -1.61 0.00 0.00 178.31 178.79 1dps h ILE 41 N 0.58 1.25 -0.59 -0.55 2.04 -1.12 -0.79 117.51 118.33 1dps h ILE 41 Ca -0.02 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 1dps h ILE 41 Cb 1.25 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 1dps h ILE 41 CO 0.14 0.30 0.24 -0.78 0.00 0.00 0.00 178.15 178.05 1dps h ASP 42 N 0.40 0.82 -0.62 1.72 3.58 -1.31 -1.72 116.42 119.29 1dps h ASP 42 Ca 0.10 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 1dps h ASP 42 Cb 0.42 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 1dps h ASP 42 CO 0.01 0.76 0.31 0.25 -2.88 0.00 0.00 179.24 177.70 1dps h LEU 43 N 0.82 0.83 -1.03 2.28 5.85 -0.81 -0.87 115.31 122.37 1dps h LEU 43 Ca 0.20 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 1dps h LEU 43 Cb 0.20 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1dps h LEU 43 CO -0.02 0.70 -0.37 0.77 -0.34 0.00 0.00 178.44 179.18 1dps h SER 44 N 0.92 0.21 -0.22 1.25 4.64 -0.48 0.19 113.55 120.06 1dps h SER 44 Ca 0.23 -0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 61.35 1dps h SER 44 Cb 0.09 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1dps h SER 44 CO -0.03 0.58 -0.31 -0.07 -0.87 0.00 0.00 176.83 176.12 1dps h LEU 45 N 0.18 0.65 -1.09 5.97 3.38 -0.66 -3.00 115.31 120.74 1dps h LEU 45 Ca 0.02 -0.52 -0.05 0.00 0.09 0.00 0.00 57.88 57.42 1dps h LEU 45 Cb 0.75 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1dps h LEU 45 CO 0.06 1.04 0.08 0.40 0.09 0.00 0.00 178.44 180.10 1dps h ILE 46 N 0.28 1.22 -0.47 1.22 2.04 -1.02 -1.53 117.51 119.24 1dps h ILE 46 Ca 0.02 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.09 1dps h ILE 46 Cb 0.89 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 1dps h ILE 46 CO 0.07 0.29 0.28 0.74 0.00 0.00 0.00 178.15 179.53 1dps h THR 47 N 0.69 1.05 -0.31 -0.27 2.02 -0.88 -1.71 112.91 113.51 1dps h THR 47 Ca 0.15 -0.19 -0.17 0.00 0.77 0.00 0.00 66.41 66.97 1dps h THR 47 Cb 0.31 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1dps h THR 47 CO 0.00 0.10 -0.49 0.11 0.37 0.00 0.00 175.52 175.61 1dps h LYS 48 N 0.56 0.85 -0.42 6.66 1.79 -1.37 -1.91 116.57 122.72 1dps h LYS 48 Ca 0.19 -0.51 0.08 0.00 -2.18 0.00 0.00 60.65 58.23 1dps h LYS 48 Cb 0.02 0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 30.65 1dps h LYS 48 CO -0.09 1.14 0.01 0.37 -1.08 0.00 0.00 179.45 179.81 1dps h GLN 49 N 0.67 0.12 -0.13 3.15 5.75 -0.98 -0.71 115.11 122.98 1dps h GLN 49 Ca 0.03 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 1dps h GLN 49 Cb 1.09 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.61 1dps h GLN 49 CO 0.11 0.08 -0.06 0.00 -2.65 0.00 0.00 178.83 176.31 1dps h ALA 50 N 1.37 0.19 -0.84 3.38 0.00 -1.29 -3.12 119.26 118.94 1dps h ALA 50 Ca 0.21 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1dps h ALA 50 Cb 0.30 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1dps h ALA 50 CO -0.34 -0.03 0.55 1.25 0.00 0.00 0.00 179.25 180.68 1dps h HIS 51 N -0.06 1.07 -0.26 0.00 -0.00 -1.01 -2.51 115.15 112.37 1dps h HIS 51 Ca 0.03 0.02 -0.15 0.00 -0.00 0.00 0.00 60.37 60.27 1dps h HIS 51 Cb 0.51 -0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 27.55 1dps h HIS 51 CO 0.06 0.68 -0.45 -1.49 -0.00 0.00 0.00 177.93 176.73 1dps h TRP 52 N 1.15 0.81 -0.61 5.26 6.55 -1.23 -3.34 115.95 124.53 1dps h TRP 52 Ca 0.31 -0.26 0.00 0.00 0.95 0.00 0.00 58.89 59.89 1dps h TRP 52 Cb -0.12 -0.17 0.00 0.00 -0.86 0.00 0.00 29.16 28.02 1dps h TRP 52 CO 0.00 1.00 0.00 0.09 -1.05 0.00 0.00 178.44 178.48 1dps n ASN 53 N -4.01 5.22 -4.88 -3.49 3.02 -0.98 -4.98 115.26 105.15 1dps n ASN 53 Ca -0.02 -2.68 -0.25 0.00 -0.03 0.00 0.00 54.58 51.59 1dps n ASN 53 Cb 0.56 -0.63 -0.04 0.00 -0.61 0.00 0.00 39.78 39.06 1dps n ASN 53 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dps s MET 54 N -2.29 3.19 -0.00 3.52 0.23 -1.01 -4.38 119.30 118.56 1dps s MET 54 Ca 0.53 -0.76 -0.28 0.00 -1.03 0.00 0.00 55.69 54.14 1dps s MET 54 Cb 0.37 -2.80 0.08 0.00 -1.53 0.00 0.00 34.83 30.96 1dps s MET 54 CO 0.20 0.48 0.74 -0.98 -2.03 0.00 0.00 175.02 173.44 1dps s ARG 55 N -3.35 1.01 0.00 3.16 1.70 -0.45 -4.95 118.95 116.06 1dps s ARG 55 Ca 0.33 -0.06 0.00 0.00 -0.47 0.00 0.00 55.73 55.53 1dps s ARG 55 Cb -0.10 0.47 0.00 0.00 -0.57 0.00 0.00 34.95 34.75 1dps s ARG 55 CO 0.26 -0.38 0.00 0.41 -1.08 0.00 0.00 175.30 174.52 1dps n GLY 56 N 0.33 0.36 3.61 3.88 0.00 -1.26 -1.81 105.19 110.29 1dps n GLY 56 Ca -0.15 -2.26 -0.47 0.00 0.00 0.00 0.00 46.02 43.14 1dps n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dps n ALA 57 N -1.00 -0.11 -1.81 4.61 0.00 -1.26 -2.05 120.51 118.89 1dps n ALA 57 Ca 0.00 0.43 -0.16 0.00 0.00 0.00 0.00 53.44 53.71 1dps n ALA 57 Cb 0.00 -2.09 -0.04 0.00 0.00 0.00 0.00 19.45 17.31 1dps n ALA 57 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1dps n ASN 58 N 1.84 -4.86 0.34 0.00 5.15 -1.26 -4.79 115.26 111.68 1dps n ASN 58 Ca 0.13 0.23 -0.19 0.00 -0.60 0.00 0.00 54.58 54.14 1dps n ASN 58 Cb 0.28 -3.86 -0.10 0.00 -0.53 0.00 0.00 39.78 35.58 1dps n ASN 58 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1dps h PHE 59 N 0.00 -1.36 -0.26 1.20 3.57 -1.79 -2.91 116.94 115.38 1dps h PHE 59 Ca -0.35 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.19 1dps h PHE 59 Cb 1.14 0.51 -0.03 0.00 2.79 0.00 0.00 35.95 40.36 1dps h PHE 59 CO 0.44 -0.69 0.06 0.97 -2.23 0.00 0.00 178.31 176.86 1dps h ILE 60 N -1.07 0.89 -0.57 1.41 6.09 -1.93 0.13 117.51 122.45 1dps h ILE 60 Ca -0.08 -0.05 -0.08 0.00 -1.37 0.00 0.00 64.86 63.28 1dps h ILE 60 Cb 0.90 0.71 -0.02 0.00 0.47 0.00 0.00 36.82 38.88 1dps h ILE 60 CO -0.00 0.03 0.03 0.00 -3.07 0.00 0.00 178.15 175.14 1dps h ALA 61 N 1.19 0.98 -0.29 0.18 0.00 -2.00 -0.51 119.26 118.81 1dps h ALA 61 Ca 0.12 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 1dps h ALA 61 Cb 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1dps h ALA 61 CO -0.15 0.63 -0.51 0.28 0.00 0.00 0.00 179.25 179.49 1dps h VAL 62 N 0.89 1.28 -0.33 0.00 2.07 -1.30 -0.17 116.25 118.69 1dps h VAL 62 Ca 0.17 -1.70 0.02 0.00 0.82 0.00 0.00 66.70 66.02 1dps h VAL 62 Cb 0.48 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1dps h VAL 62 CO 0.02 0.55 0.17 -0.74 0.02 0.00 0.00 177.57 177.59 1dps h HIS 63 N 0.64 0.31 -0.23 1.57 6.17 -0.51 -1.73 115.15 121.38 1dps h HIS 63 Ca 0.02 0.01 -0.18 0.00 0.71 0.00 0.00 60.37 60.93 1dps h HIS 63 Cb 1.12 -0.09 -0.00 0.00 2.52 0.00 0.00 27.41 30.96 1dps h HIS 63 CO 0.07 0.17 -0.58 0.93 0.71 0.00 0.00 177.93 179.24 1dps h GLU 64 N 0.35 0.72 -0.52 5.26 5.08 -1.04 -2.98 114.58 121.44 1dps h GLU 64 Ca 0.14 -0.47 0.04 0.00 -1.00 0.00 0.00 59.36 58.07 1dps h GLU 64 Cb 0.05 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1dps h GLU 64 CO -0.09 1.09 0.27 1.98 -1.00 0.00 0.00 179.01 181.26 1dps h MET 65 N 0.55 0.51 -0.11 2.33 4.05 -0.74 -2.51 114.93 119.00 1dps h MET 65 Ca 0.00 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.33 1dps h MET 65 Cb 1.16 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.83 1dps h MET 65 CO 0.12 0.34 -0.24 -0.07 0.23 0.00 0.00 176.91 177.29 1dps h LEU 66 N 0.52 0.19 -0.71 3.39 3.38 -1.29 -2.26 115.31 118.54 1dps h LEU 66 Ca 0.23 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1dps h LEU 66 Cb 0.12 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1dps h LEU 66 CO -0.15 0.44 0.24 -0.78 0.09 0.00 0.00 178.44 178.28 1dps h ASP 67 N 0.18 1.02 -0.81 -0.43 3.58 -1.30 -1.89 116.42 116.77 1dps h ASP 67 Ca 0.03 -0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.25 1dps h ASP 67 Cb 0.53 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 41.27 1dps h ASP 67 CO 0.04 0.94 0.40 1.23 -2.88 0.00 0.00 179.24 178.97 1dps h GLY 68 N 1.04 1.24 0.99 -0.78 0.00 -1.17 -2.44 103.07 101.95 1dps h GLY 68 Ca 0.23 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1dps h GLY 68 CO -0.01 0.57 0.33 0.74 0.00 0.00 0.00 176.54 178.17 1dps h PHE 69 N 1.15 0.84 -0.51 5.60 0.04 -1.03 -2.65 116.94 120.38 1dps h PHE 69 Ca 0.28 -0.02 0.07 0.00 2.80 0.00 0.00 57.97 61.10 1dps h PHE 69 Cb 0.10 -0.27 -0.06 0.00 2.20 0.00 0.00 35.95 37.92 1dps h PHE 69 CO 0.01 0.61 0.18 -0.09 -0.60 0.00 0.00 178.31 178.43 1dps h ARG 70 N 0.83 0.35 -0.38 1.51 1.12 -0.88 -0.36 114.38 116.57 1dps h ARG 70 Ca 0.21 -0.02 0.03 0.00 -1.11 0.00 0.00 59.98 59.10 1dps h ARG 70 Cb 0.06 -0.08 -0.04 0.00 -0.01 0.00 0.00 29.97 29.90 1dps h ARG 70 CO -0.03 0.23 0.17 1.15 -3.11 0.00 0.00 179.97 178.38 1dps h THR 71 N 0.36 0.95 -0.58 0.20 2.02 -1.29 -1.61 112.91 112.96 1dps h THR 71 Ca 0.25 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 1dps h THR 71 Cb 0.27 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1dps h THR 71 CO -0.25 0.06 0.19 0.00 0.37 0.00 0.00 175.52 175.90 1dps h ALA 72 N 1.22 0.75 -0.51 6.16 0.00 -1.07 -2.54 119.26 123.28 1dps h ALA 72 Ca 0.17 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dps h ALA 72 Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1dps h ALA 72 CO -0.14 0.41 0.30 -0.07 0.00 0.00 0.00 179.25 179.75 1dps h LEU 73 N 0.81 0.62 -1.29 0.00 3.38 -0.80 -1.63 115.31 116.39 1dps h LEU 73 Ca 0.19 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1dps h LEU 73 Cb 0.27 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1dps h LEU 73 CO -0.01 0.50 -0.30 0.16 0.09 0.00 0.00 178.44 178.89 1dps h ILE 74 N 0.68 0.88 -0.09 1.22 3.07 -1.12 -1.45 117.51 120.70 1dps h ILE 74 Ca 0.18 -1.17 -0.23 0.00 1.55 0.00 0.00 64.86 65.19 1dps h ILE 74 Cb 0.01 1.70 0.01 0.00 -0.27 0.00 0.00 36.82 38.27 1dps h ILE 74 CO -0.03 0.29 -0.86 0.44 -1.05 0.00 0.00 178.15 176.94 1dps h ASP 75 N 0.00 0.83 -0.28 2.16 3.32 -1.04 -1.99 116.42 119.42 1dps h ASP 75 Ca -0.00 -0.59 -0.06 0.00 0.02 0.00 0.00 57.03 56.41 1dps h ASP 75 Cb 0.67 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1dps h ASP 75 CO 0.04 1.38 -0.05 0.45 -1.72 0.00 0.00 179.24 179.34 1dps h HIS 76 N 0.43 0.59 -0.04 4.55 3.86 -1.02 -2.48 115.15 121.04 1dps h HIS 76 Ca -0.07 -0.12 -0.09 0.00 -1.16 0.00 0.00 60.37 58.93 1dps h HIS 76 Cb 1.49 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.80 1dps h HIS 76 CO 0.08 0.71 -0.39 1.37 0.86 0.00 0.00 177.93 180.56 1dps h LEU 77 N 0.29 0.07 -0.50 2.43 8.10 -1.27 -1.44 115.31 122.99 1dps h LEU 77 Ca 0.07 -0.03 -0.06 0.00 0.11 0.00 0.00 57.88 57.98 1dps h LEU 77 Cb 0.51 -0.02 -0.02 0.00 -0.44 0.00 0.00 40.66 40.69 1dps h LEU 77 CO 0.02 0.46 0.10 0.44 -4.11 0.00 0.00 178.44 175.35 1dps h ASP 78 N 0.06 0.78 -0.87 0.17 3.32 -1.28 -0.09 116.42 118.52 1dps h ASP 78 Ca 0.00 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 1dps h ASP 78 Cb 0.72 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 1dps h ASP 78 CO 0.05 0.83 0.51 0.74 -1.72 0.00 0.00 179.24 179.65 1dps h THR 79 N 0.70 1.24 -0.27 0.35 2.02 -0.96 -0.35 112.91 115.64 1dps h THR 79 Ca 0.15 -0.56 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 1dps h THR 79 Cb 0.37 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1dps h THR 79 CO 0.01 0.26 -0.02 0.24 0.37 0.00 0.00 175.52 176.38 1dps h MET 80 N 1.20 0.50 -0.52 6.66 2.86 -0.95 -2.05 114.93 122.62 1dps h MET 80 Ca 0.31 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1dps h MET 80 Cb -0.03 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1dps h MET 80 CO -0.06 0.67 0.28 0.00 1.06 0.00 0.00 176.91 178.86 1dps h ALA 81 N 0.81 0.67 -0.90 6.32 0.00 -0.78 -2.20 119.26 123.19 1dps h ALA 81 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dps h ALA 81 Cb 0.46 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1dps h ALA 81 CO 0.02 0.21 0.56 0.93 0.00 0.00 0.00 179.25 180.97 1dps h GLU 82 N 0.70 1.20 -0.61 0.00 5.08 -1.00 -2.09 114.58 117.86 1dps h GLU 82 Ca 0.18 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1dps h GLU 82 Cb 0.07 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 1dps h GLU 82 CO -0.03 0.82 0.15 -0.09 -1.00 0.00 0.00 179.01 178.87 1dps h ARG 83 N 1.23 0.98 -0.76 2.33 9.65 -1.11 -1.32 114.38 125.38 1dps h ARG 83 Ca 0.32 -0.23 0.02 0.00 -1.10 0.00 0.00 59.98 58.99 1dps h ARG 83 Cb -0.09 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.32 1dps h ARG 83 CO -0.06 0.89 0.50 0.00 2.80 0.00 0.00 179.97 184.10 1dps h ALA 84 N 1.05 0.98 0.00 2.80 0.00 -0.94 -2.26 119.26 120.88 1dps h ALA 84 Ca 0.19 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 1dps h ALA 84 Cb 0.35 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1dps h ALA 84 CO 0.00 0.35 -0.72 -0.39 0.00 0.00 0.00 179.25 178.50 1dps h VAL 85 N 1.01 1.45 -0.30 0.00 -1.51 -1.20 -0.95 116.25 114.75 1dps h VAL 85 Ca 0.29 -2.52 -0.04 0.00 -1.23 0.00 0.00 66.70 63.20 1dps h VAL 85 Cb -0.08 2.38 -0.02 0.00 -2.13 0.00 0.00 31.29 31.45 1dps h VAL 85 CO -0.08 0.70 0.01 1.56 -1.23 0.00 0.00 177.57 178.54 1dps h GLN 86 N 0.00 0.44 -0.43 5.19 4.20 -0.86 -1.59 115.11 122.07 1dps h GLN 86 Ca -0.01 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1dps h GLN 86 Cb 1.33 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1dps h GLN 86 CO 0.09 0.47 0.00 1.28 -0.67 0.00 0.00 178.83 180.00 1dps n LEU 87 N -4.32 1.65 0.00 1.46 4.77 -0.88 -4.88 117.00 114.79 1dps n LEU 87 Ca 0.01 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 1dps n LEU 87 Cb 0.22 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1dps n LEU 87 CO 0.38 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1dps n GLY 88 N 0.67 0.75 3.99 -0.72 0.00 -0.60 -4.84 105.19 104.45 1dps n GLY 88 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 1dps n GLY 88 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dps s GLY 89 N -1.74 1.76 -0.22 -0.02 0.00 -0.38 -0.54 107.32 106.18 1dps s GLY 89 Ca 0.00 -1.77 -0.04 0.00 0.00 0.00 0.00 44.72 42.91 1dps s GLY 89 CO 0.00 -1.09 -0.04 0.14 0.00 0.00 0.00 173.10 172.11 1dps s VAL 90 N -3.36 3.40 0.08 1.40 1.01 -1.26 -4.25 120.40 117.42 1dps s VAL 90 Ca 0.70 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 1dps s VAL 90 Cb -0.03 -2.56 -0.06 0.00 0.00 0.00 0.00 36.38 33.73 1dps s VAL 90 CO 0.47 0.41 1.10 0.00 0.00 0.00 0.00 175.10 177.08 1dps s ALA 91 N 1.48 3.32 -0.27 5.51 0.00 -1.26 -4.96 121.76 125.59 1dps s ALA 91 Ca 0.06 0.75 -0.04 0.00 0.00 0.00 0.00 51.96 52.72 1dps s ALA 91 Cb -0.14 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.60 1dps s ALA 91 CO -0.03 -0.30 0.01 -0.51 0.00 0.00 0.00 175.76 174.93 1dps s LEU 92 N 0.60 3.46 0.00 0.00 1.43 -1.26 -4.95 118.68 117.96 1dps s LEU 92 Ca 0.54 -0.73 0.12 0.00 -1.03 0.00 0.00 54.13 53.04 1dps s LEU 92 Cb -0.27 -1.78 0.20 0.00 0.03 0.00 0.00 46.19 44.38 1dps s LEU 92 CO 0.30 -0.14 1.05 0.61 0.23 0.00 0.00 176.35 178.40 1dps n GLY 93 N 4.78 0.77 3.89 -3.19 0.00 -1.26 -4.57 105.19 105.61 1dps n GLY 93 Ca -0.16 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 1dps n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dps s THR 94 N 0.00 4.82 0.25 2.61 -4.23 -1.26 -4.90 115.64 112.93 1dps s THR 94 Ca 0.16 0.49 -0.04 0.00 -1.18 0.00 0.00 61.69 61.12 1dps s THR 94 Cb 0.18 -3.86 0.23 0.00 1.34 0.00 0.00 72.50 70.40 1dps s THR 94 CO -0.08 -0.94 1.84 0.74 -0.54 0.00 0.00 174.62 175.65 1dps h THR 95 N 0.09 0.99 -0.60 3.99 2.02 -1.99 -0.83 112.91 116.58 1dps h THR 95 Ca -0.46 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 1dps h THR 95 Cb 1.20 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1dps h THR 95 CO 0.62 0.17 0.33 1.56 0.37 0.00 0.00 175.52 178.57 1dps h GLN 96 N 0.96 0.84 -0.20 6.66 7.50 -1.99 0.39 115.11 129.27 1dps h GLN 96 Ca 0.41 -0.10 -0.04 0.00 0.50 0.00 0.00 58.65 59.42 1dps h GLN 96 Cb 0.27 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.64 1dps h GLN 96 CO -0.21 0.64 -0.04 0.28 -1.50 0.00 0.00 178.83 178.01 1dps h VAL 97 N 0.81 1.28 -0.46 -0.54 2.07 -1.83 -2.16 116.25 115.42 1dps h VAL 97 Ca 0.21 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1dps h VAL 97 Cb 0.05 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1dps h VAL 97 CO -0.03 0.30 0.23 0.40 0.02 0.00 0.00 177.57 178.49 1dps h ILE 98 N 0.11 1.18 -0.88 4.57 2.04 -1.00 -0.50 117.51 123.03 1dps h ILE 98 Ca 0.05 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1dps h ILE 98 Cb 0.47 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 1dps h ILE 98 CO 0.02 0.19 0.45 -1.13 0.00 0.00 0.00 178.15 177.68 1dps h ASN 99 N 0.60 1.12 0.75 1.72 -0.73 -0.93 0.47 115.58 118.58 1dps h ASN 99 Ca 0.16 -0.11 -0.18 0.00 1.87 0.00 0.00 56.30 58.03 1dps h ASN 99 Cb 0.10 -0.29 -0.02 0.00 0.27 0.00 0.00 38.32 38.38 1dps h ASN 99 CO -0.02 0.92 -0.86 -1.28 -0.37 0.00 0.00 177.43 175.82 1dps h SER 100 N 1.24 0.09 -0.00 1.15 0.87 -1.15 -3.38 113.55 112.36 1dps h SER 100 Ca 0.31 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1dps h SER 100 Cb 0.07 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1dps h SER 100 CO -0.04 0.90 -0.22 0.29 -0.53 0.00 0.00 176.83 177.22 1dps n LYS 101 N -3.58 2.69 -1.85 2.24 5.02 -0.22 -5.04 118.16 117.42 1dps n LYS 101 Ca -0.02 -0.42 -0.41 0.00 -2.02 0.00 0.00 58.31 55.44 1dps n LYS 101 Cb 0.81 -1.00 -0.01 0.00 -0.02 0.00 0.00 35.03 34.81 1dps n LYS 101 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1dps s THR 102 N -1.35 2.19 -1.87 -0.18 -1.32 0.14 -4.89 115.64 108.37 1dps s THR 102 Ca 0.06 0.18 0.28 0.00 -1.21 0.00 0.00 61.69 61.00 1dps s THR 102 Cb 0.07 -3.12 0.42 0.00 -1.51 0.00 0.00 72.50 68.36 1dps s THR 102 CO 0.24 0.04 1.74 -0.81 -2.21 0.00 0.00 174.62 173.62 1dps n PRO 103 N 1.16 0.95 -3.19 7.08 -0.04 -1.26 -4.90 135.00 134.80 1dps n PRO 103 Ca 0.03 -0.46 -0.39 0.00 -0.04 0.00 0.00 63.50 62.64 1dps n PRO 103 Cb 0.39 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.31 1dps n PRO 103 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1dps s LEU 104 N -2.37 4.30 0.28 1.53 1.43 -1.26 -5.04 118.68 117.55 1dps s LEU 104 Ca 0.30 0.99 -0.30 0.00 -1.03 0.00 0.00 54.13 54.09 1dps s LEU 104 Cb 0.20 -2.87 -0.10 0.00 0.03 0.00 0.00 46.19 43.45 1dps s LEU 104 CO 0.46 -0.05 1.42 -0.75 0.23 0.00 0.00 176.35 177.66 1dps s LYS 105 N 0.68 4.27 -0.03 1.70 2.20 -1.26 -4.88 119.74 122.43 1dps s LYS 105 Ca 0.31 2.31 -0.39 0.00 -0.36 0.00 0.00 55.97 57.84 1dps s LYS 105 Cb -0.16 -3.09 -0.18 0.00 -1.51 0.00 0.00 37.83 32.89 1dps s LYS 105 CO 0.14 -0.39 1.28 0.45 -0.36 0.00 0.00 175.35 176.47 1dps n SER 106 N 1.86 0.95 -4.74 1.43 2.88 -1.26 -4.88 113.62 109.86 1dps n SER 106 Ca 0.05 1.14 -0.41 0.00 -1.33 0.00 0.00 58.87 58.32 1dps n SER 106 Cb 0.40 -1.04 -0.04 0.00 -0.75 0.00 0.00 64.21 62.78 1dps n SER 106 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1dps s TYR 107 N 0.72 3.58 0.14 0.66 5.04 -1.26 -4.97 117.35 121.25 1dps s TYR 107 Ca 0.90 1.58 -0.31 0.00 -2.44 0.00 0.00 57.07 56.80 1dps s TYR 107 Cb -1.14 -3.29 -0.10 0.00 0.35 0.00 0.00 41.96 37.78 1dps s TYR 107 CO 0.55 -0.65 1.67 -1.25 -1.34 0.00 0.00 175.55 174.54 1dps s PRO 108 N -0.33 4.18 0.00 4.97 0.04 -1.26 -4.90 135.00 137.70 1dps s PRO 108 Ca 0.50 2.44 0.27 0.00 0.04 0.00 0.00 61.00 64.25 1dps s PRO 108 Cb -0.29 -3.34 0.93 0.00 0.04 0.00 0.00 34.50 31.83 1dps s PRO 108 CO 0.35 -0.71 1.67 1.28 0.04 0.00 0.00 177.00 179.63 1dps n LEU 109 N 4.74 1.00 -0.45 -3.56 4.77 -1.26 -4.30 117.00 117.94 1dps n LEU 109 Ca 0.15 -0.26 0.09 0.00 -0.03 0.00 0.00 56.01 55.97 1dps n LEU 109 Cb 0.38 -0.11 0.19 0.00 -2.33 0.00 0.00 43.42 41.56 1dps n LEU 109 CO 0.63 0.18 0.63 -0.90 -1.33 0.00 0.00 177.39 176.60 1dps n ASP 110 N -0.54 3.04 -4.76 -1.43 5.75 -1.26 -5.02 116.55 112.33 1dps n ASP 110 Ca 0.14 -3.07 -0.26 0.00 -0.01 0.00 0.00 54.79 51.60 1dps n ASP 110 Cb 0.33 -0.48 -0.06 0.00 -1.03 0.00 0.00 41.12 39.88 1dps n ASP 110 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1dps s ILE 111 N -2.86 4.25 0.00 2.12 -4.36 -1.26 -5.03 121.20 114.05 1dps s ILE 111 Ca 0.37 -1.22 0.00 0.00 -0.26 0.00 0.00 60.65 59.54 1dps s ILE 111 Cb 0.31 -3.17 0.00 0.00 1.25 0.00 0.00 42.46 40.85 1dps s ILE 111 CO 0.06 -0.13 0.00 1.41 0.24 0.00 0.00 174.94 176.51 1dps n HIS 112 N -0.36 0.00 -1.68 1.37 8.25 -1.26 -4.82 115.22 116.72 1dps n HIS 112 Ca -0.09 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.93 1dps n HIS 112 Cb 0.55 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.64 1dps n HIS 112 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1dps n ASN 113 N -1.71 2.98 -0.28 0.41 5.15 -1.26 -1.34 115.26 119.22 1dps n ASN 113 Ca 0.00 1.14 0.09 0.00 -0.60 0.00 0.00 54.58 55.20 1dps n ASN 113 Cb 0.12 -1.46 0.23 0.00 -0.53 0.00 0.00 39.78 38.15 1dps n ASN 113 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1dps h VAL 114 N 3.15 0.56 -0.31 3.44 2.07 -1.66 -1.01 116.25 122.49 1dps h VAL 114 Ca -0.45 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 1dps h VAL 114 Cb 1.26 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1dps h VAL 114 CO 0.77 0.07 -0.10 1.56 0.02 0.00 0.00 177.57 179.90 1dps h GLN 115 N 0.41 0.51 -0.31 1.57 1.08 -1.88 -0.58 115.11 115.91 1dps h GLN 115 Ca 0.48 -0.14 -0.10 0.00 -1.45 0.00 0.00 58.65 57.43 1dps h GLN 115 Cb 0.81 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.18 1dps h GLN 115 CO -0.47 0.62 -0.21 -0.44 -0.95 0.00 0.00 178.83 177.38 1dps h ASP 116 N 0.48 0.72 -0.67 1.46 3.32 -1.57 -2.40 116.42 117.75 1dps h ASP 116 Ca 0.09 -0.44 -0.06 0.00 0.02 0.00 0.00 57.03 56.64 1dps h ASP 116 Cb 0.47 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1dps h ASP 116 CO 0.03 1.00 0.17 0.45 -1.72 0.00 0.00 179.24 179.16 1dps h HIS 117 N 0.44 1.13 -0.88 4.55 3.86 -1.18 -2.40 115.15 120.67 1dps h HIS 117 Ca 0.06 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 1dps h HIS 117 Cb 0.76 -0.32 -0.04 0.00 1.06 0.00 0.00 27.41 28.87 1dps h HIS 117 CO 0.07 0.92 0.51 -0.07 0.86 0.00 0.00 177.93 180.22 1dps h LEU 118 N 1.00 1.07 -0.47 2.43 3.38 -1.00 0.12 115.31 121.84 1dps h LEU 118 Ca 0.21 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1dps h LEU 118 Cb 0.36 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1dps h LEU 118 CO 0.00 0.84 0.06 0.11 0.09 0.00 0.00 178.44 179.54 1dps h LYS 119 N 1.22 0.80 -0.48 1.13 1.57 -1.24 0.41 116.57 119.98 1dps h LYS 119 Ca 0.31 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1dps h LYS 119 Cb -0.01 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1dps h LYS 119 CO -0.05 0.82 -0.08 0.93 -0.57 0.00 0.00 179.45 180.49 1dps h GLU 120 N 0.66 0.85 -0.28 3.15 4.39 -1.13 -2.15 114.58 120.07 1dps h GLU 120 Ca 0.14 -0.28 -0.15 0.00 0.34 0.00 0.00 59.36 59.41 1dps h GLU 120 Cb 0.42 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1dps h GLU 120 CO 0.01 0.90 -0.41 -0.07 -1.16 0.00 0.00 179.01 178.29 1dps h LEU 121 N 0.77 0.84 -0.59 1.33 3.38 -0.87 -2.86 115.31 117.31 1dps h LEU 121 Ca 0.13 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.61 1dps h LEU 121 Cb 0.58 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1dps h LEU 121 CO 0.04 1.19 0.37 0.00 0.09 0.00 0.00 178.44 180.12 1dps h ALA 122 N 0.67 0.76 -0.50 1.53 0.00 -0.75 0.33 119.26 121.31 1dps h ALA 122 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1dps h ALA 122 Cb 1.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1dps h ALA 122 CO 0.09 0.11 0.32 -0.44 0.00 0.00 0.00 179.25 179.34 1dps h ASP 123 N 0.73 0.58 -0.12 0.00 3.32 -1.38 -0.28 116.42 119.27 1dps h ASP 123 Ca 0.23 -0.03 -0.19 0.00 0.02 0.00 0.00 57.03 57.07 1dps h ASP 123 Cb -0.00 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.41 1dps h ASP 123 CO -0.09 0.44 -0.67 0.03 -1.72 0.00 0.00 179.24 177.23 1dps h ARG 124 N 0.68 0.66 -0.67 3.56 3.08 -1.22 -2.59 114.38 117.89 1dps h ARG 124 Ca 0.18 -0.55 -0.02 0.00 0.07 0.00 0.00 59.98 59.66 1dps h ARG 124 Cb -0.06 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1dps h ARG 124 CO -0.04 1.17 0.35 1.88 -1.07 0.00 0.00 179.97 182.26 1dps h TYR 125 N 0.33 0.92 -0.64 3.04 -1.99 -0.29 -2.53 116.97 115.80 1dps h TYR 125 Ca -0.05 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 1dps h TYR 125 Cb 1.31 -0.29 -0.03 0.00 2.00 0.00 0.00 36.73 39.72 1dps h TYR 125 CO 0.10 0.65 0.38 0.00 -0.00 0.00 0.00 178.16 179.29 1dps h ALA 126 N 1.44 0.82 -0.21 3.88 0.00 -0.96 0.22 119.26 124.46 1dps h ALA 126 Ca 0.24 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1dps h ALA 126 Cb 0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1dps h ALA 126 CO -0.04 0.31 0.08 0.82 0.00 0.00 0.00 179.25 180.42 1dps h ILE 127 N 0.87 0.96 -0.06 0.00 1.08 -1.06 0.09 117.51 119.38 1dps h ILE 127 Ca 0.23 -0.06 -0.01 0.00 -0.39 0.00 0.00 64.86 64.63 1dps h ILE 127 Cb -0.00 0.77 -0.00 0.00 -3.07 0.00 0.00 36.82 34.51 1dps h ILE 127 CO -0.04 0.03 -0.01 0.58 -0.69 0.00 0.00 178.15 178.02 1dps h VAL 128 N 0.18 1.28 -0.12 1.67 2.07 -1.30 -2.25 116.25 117.78 1dps h VAL 128 Ca 0.09 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.77 1dps h VAL 128 Cb 0.05 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1dps h VAL 128 CO -0.09 0.24 -0.02 0.00 0.02 0.00 0.00 177.57 177.72 1dps h ALA 129 N 0.69 0.08 -0.55 1.67 0.00 -0.43 -1.01 119.26 119.72 1dps h ALA 129 Ca 0.02 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1dps h ALA 129 Cb 0.38 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1dps h ALA 129 CO 0.01 -0.48 0.12 -0.91 0.00 0.00 0.00 179.25 177.98 1dps h ASN 130 N 0.01 0.79 -0.11 0.00 2.35 -1.04 -1.79 115.58 115.79 1dps h ASN 130 Ca 0.06 -0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.54 1dps h ASN 130 Cb 0.08 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1dps h ASN 130 CO -0.12 0.79 -0.38 -0.78 -1.65 0.00 0.00 177.43 175.29 1dps h ASP 131 N 0.81 0.52 0.40 5.81 3.58 -1.14 -2.84 116.42 123.56 1dps h ASP 131 Ca 0.18 -0.61 -0.09 0.00 0.42 0.00 0.00 57.03 56.92 1dps h ASP 131 Cb 0.32 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 1dps h ASP 131 CO 0.00 1.05 -0.42 1.62 -2.88 0.00 0.00 179.24 178.61 1dps h VAL 132 N 0.03 1.30 -0.68 2.25 3.04 -1.17 -0.63 116.25 120.40 1dps h VAL 132 Ca -0.02 -1.46 -0.06 0.00 -1.01 0.00 0.00 66.70 64.16 1dps h VAL 132 Cb 1.01 1.77 -0.03 0.00 -2.01 0.00 0.00 31.29 32.03 1dps h VAL 132 CO 0.08 0.42 0.20 -0.09 -1.01 0.00 0.00 177.57 177.17 1dps h ARG 133 N 0.03 1.06 -0.11 4.17 2.43 -1.32 -2.49 114.38 118.14 1dps h ARG 133 Ca -0.00 -0.23 -0.18 0.00 -0.81 0.00 0.00 59.98 58.76 1dps h ARG 133 Cb 0.76 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1dps h ARG 133 CO 0.06 0.92 -0.68 0.87 -1.51 0.00 0.00 179.97 179.62 1dps h LYS 134 N 1.02 0.48 0.00 0.20 1.57 -1.21 -3.07 116.57 115.55 1dps h LYS 134 Ca 0.22 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1dps h LYS 134 Cb 0.31 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1dps h LYS 134 CO -0.00 0.99 -0.06 0.00 -0.57 0.00 0.00 179.45 179.80 1dps h ALA 135 N 0.91 1.74 -0.42 3.86 0.00 -0.70 -2.37 119.26 122.28 1dps h ALA 135 Ca -0.02 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1dps h ALA 135 Cb 1.25 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1dps h ALA 135 CO 0.12 0.08 0.16 0.82 0.00 0.00 0.00 179.25 180.43 1dps h ILE 136 N 0.00 0.89 0.00 0.00 2.04 -1.37 -1.69 117.51 117.38 1dps h ILE 136 Ca -0.00 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1dps h ILE 136 Cb 0.12 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1dps h ILE 136 CO 0.01 0.06 0.00 1.23 0.00 0.00 0.00 178.15 179.45 1dps h GLY 137 N 0.33 0.00 0.31 5.37 0.00 -1.57 -2.90 103.07 104.61 1dps h GLY 137 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1dps h GLY 137 CO -0.18 0.00 -1.44 1.18 0.00 0.00 0.00 176.54 176.09 1dps n GLU 138 N -2.70 0.45 -2.34 4.80 1.02 -0.71 -4.85 120.64 116.31 1dps n GLU 138 Ca 0.00 -0.07 -0.41 0.00 -0.02 0.00 0.00 57.16 56.66 1dps n GLU 138 Cb 0.22 -1.58 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 1dps n GLU 138 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dps s ALA 139 N -3.33 2.71 0.30 0.62 0.00 -0.77 -4.87 121.76 116.41 1dps s ALA 139 Ca -0.01 -0.69 0.08 0.00 0.00 0.00 0.00 51.96 51.34 1dps s ALA 139 Cb 0.14 -4.14 0.47 0.00 0.00 0.00 0.00 23.12 19.58 1dps s ALA 139 CO 0.86 -3.09 1.69 0.87 0.00 0.00 0.00 175.76 176.09 1dps h LYS 140 N 11.61 0.14 -6.25 0.00 1.79 -1.89 -3.42 116.57 118.55 1dps h LYS 140 Ca -0.27 -0.07 -0.57 0.00 -2.18 0.00 0.00 60.65 57.56 1dps h LYS 140 Cb 1.10 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.71 1dps h LYS 140 CO 1.19 0.58 0.97 0.34 -1.08 0.00 0.00 179.45 181.45 1dps s ASP 141 N -6.89 6.75 0.21 0.86 2.15 -1.26 -4.92 116.67 113.57 1dps s ASP 141 Ca -0.03 1.53 -0.09 0.00 0.43 0.00 0.00 52.55 54.40 1dps s ASP 141 Cb 0.13 -2.54 0.27 0.00 -0.30 0.00 0.00 42.92 40.48 1dps s ASP 141 CO 0.76 -0.96 1.80 0.44 -0.17 0.00 0.00 175.17 177.04 1dps h ASP 142 N 9.05 0.53 -0.59 -0.34 3.32 -2.00 -0.87 116.42 125.52 1dps h ASP 142 Ca -0.28 0.04 0.03 0.00 0.02 0.00 0.00 57.03 56.84 1dps h ASP 142 Cb 1.11 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.56 1dps h ASP 142 CO 1.00 0.33 0.35 0.44 -1.72 0.00 0.00 179.24 179.64 1dps h ASP 143 N 0.66 0.57 -0.31 6.45 3.32 -1.96 -1.73 116.42 123.42 1dps h ASP 143 Ca 0.31 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.33 1dps h ASP 143 Cb 0.24 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1dps h ASP 143 CO -0.21 0.40 0.06 0.74 -1.72 0.00 0.00 179.24 178.51 1dps h THR 144 N 0.70 1.23 -0.96 0.35 2.02 -1.83 -1.93 112.91 112.49 1dps h THR 144 Ca 0.24 -0.79 0.11 0.00 0.77 0.00 0.00 66.41 66.74 1dps h THR 144 Cb 0.03 1.16 -0.08 0.00 -1.74 0.00 0.00 68.15 67.52 1dps h THR 144 CO -0.11 0.26 0.61 0.00 0.37 0.00 0.00 175.52 176.66 1dps h ALA 145 N 0.89 1.59 -0.28 6.16 0.00 -0.85 -0.82 119.26 125.95 1dps h ALA 145 Ca 0.09 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1dps h ALA 145 Cb 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1dps h ALA 145 CO 0.01 0.18 0.00 0.22 0.00 0.00 0.00 179.25 179.66 1dps h ASP 146 N 0.93 0.48 -0.57 0.00 3.58 -1.05 -0.86 116.42 118.93 1dps h ASP 146 Ca 0.46 -0.31 0.01 0.00 0.42 0.00 0.00 57.03 57.62 1dps h ASP 146 Cb 0.48 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.38 1dps h ASP 146 CO -0.23 0.67 0.37 0.40 -2.88 0.00 0.00 179.24 177.57 1dps h ILE 147 N 0.27 1.13 -0.12 2.25 2.04 -0.84 -2.08 117.51 120.17 1dps h ILE 147 Ca 0.08 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 1dps h ILE 147 Cb 0.42 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1dps h ILE 147 CO 0.01 0.14 -0.22 -0.07 0.00 0.00 0.00 178.15 178.01 1dps h LEU 148 N 0.76 0.20 -0.27 1.44 3.38 -1.01 -2.16 115.31 117.64 1dps h LEU 148 Ca 0.21 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 1dps h LEU 148 Cb -0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1dps h LEU 148 CO -0.05 0.43 -0.21 0.74 0.09 0.00 0.00 178.44 179.44 1dps h THR 149 N 0.19 1.30 -0.73 0.22 2.02 -0.66 0.38 112.91 115.63 1dps h THR 149 Ca 0.03 -1.35 -0.03 0.00 0.77 0.00 0.00 66.41 65.83 1dps h THR 149 Cb 0.50 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 1dps h THR 149 CO 0.03 0.43 0.32 0.00 0.37 0.00 0.00 175.52 176.68 1dps h ALA 150 N 0.71 0.94 -0.54 6.16 0.00 -1.21 -1.10 119.26 124.23 1dps h ALA 150 Ca 0.05 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1dps h ALA 150 Cb 0.76 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1dps h ALA 150 CO 0.06 0.54 -0.11 0.00 0.00 0.00 0.00 179.25 179.74 1dps h ALA 151 N 1.16 0.74 -0.62 0.00 0.00 -1.28 -2.97 119.26 116.30 1dps h ALA 151 Ca 0.25 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1dps h ALA 151 Cb 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1dps h ALA 151 CO -0.03 0.66 0.02 1.03 0.00 0.00 0.00 179.25 180.94 1dps h SER 152 N 0.91 1.05 -0.70 0.00 0.87 -0.70 -0.87 113.55 114.11 1dps h SER 152 Ca 0.14 -0.30 0.06 0.00 -1.23 0.00 0.00 61.79 60.47 1dps h SER 152 Cb 0.68 -0.28 -0.06 0.00 -0.44 0.00 0.00 62.40 62.30 1dps h SER 152 CO 0.05 1.09 0.39 0.03 -0.53 0.00 0.00 176.83 177.85 1dps h ARG 153 N 0.98 0.69 -0.17 2.24 3.08 -1.16 -0.34 114.38 119.69 1dps h ARG 153 Ca 0.18 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.10 1dps h ARG 153 Cb 0.53 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 1dps h ARG 153 CO 0.03 0.45 -0.24 -0.44 -1.07 0.00 0.00 179.97 178.70 1dps h ASP 154 N 0.71 0.50 -0.81 7.04 3.32 -1.31 -2.53 116.42 123.34 1dps h ASP 154 Ca 0.32 -0.52 0.07 0.00 0.02 0.00 0.00 57.03 56.92 1dps h ASP 154 Cb 0.21 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.56 1dps h ASP 154 CO -0.19 0.92 0.49 -0.07 -1.72 0.00 0.00 179.24 178.67 1dps h LEU 155 N 0.10 0.75 -0.80 1.55 -0.00 -0.87 0.54 115.31 116.59 1dps h LEU 155 Ca 0.02 0.02 -0.10 0.00 -0.00 0.00 0.00 57.88 57.82 1dps h LEU 155 Cb 0.81 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.32 1dps h LEU 155 CO 0.06 0.47 -0.18 0.44 -0.00 0.00 0.00 178.44 179.23 1dps h ASP 156 N 0.88 0.70 -0.30 -0.43 5.19 -1.05 -0.08 116.42 121.33 1dps h ASP 156 Ca 0.36 -0.23 -0.06 0.00 -0.62 0.00 0.00 57.03 56.48 1dps h ASP 156 Cb 0.20 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 1dps h ASP 156 CO -0.19 0.89 -0.04 0.50 -3.12 0.00 0.00 179.24 177.28 1dps h LYS 157 N 0.63 0.56 -0.46 3.56 3.64 -0.92 -2.24 116.57 121.35 1dps h LYS 157 Ca 0.10 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 1dps h LYS 157 Cb 0.65 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1dps h LYS 157 CO 0.05 0.73 0.15 0.74 -2.27 0.00 0.00 179.45 178.85 1dps h PHE 158 N 0.34 0.73 -0.58 1.91 0.04 -0.70 -0.40 116.94 118.28 1dps h PHE 158 Ca 0.08 -0.07 0.01 0.00 2.80 0.00 0.00 57.97 60.79 1dps h PHE 158 Cb 0.51 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.41 1dps h PHE 158 CO 0.04 0.65 0.38 1.25 -0.60 0.00 0.00 178.31 180.03 1dps h LEU 159 N 0.60 0.64 -0.29 1.54 5.85 -0.97 -0.95 115.31 121.73 1dps h LEU 159 Ca 0.15 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1dps h LEU 159 Cb 0.26 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1dps h LEU 159 CO -0.01 0.46 0.19 -0.25 -0.34 0.00 0.00 178.44 178.49 1dps h TRP 160 N 0.76 0.37 -0.61 1.25 7.01 -1.10 -0.46 115.95 123.18 1dps h TRP 160 Ca 0.22 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.25 1dps h TRP 160 Cb -0.06 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 26.84 1dps h TRP 160 CO -0.04 0.25 0.38 0.74 -2.79 0.00 0.00 178.44 176.98 1dps h PHE 161 N 0.39 0.72 0.19 2.65 -1.00 -0.74 0.85 116.94 119.99 1dps h PHE 161 Ca 0.11 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.90 1dps h PHE 161 Cb -0.03 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 39.30 1dps h PHE 161 CO -0.05 0.42 -0.09 0.82 -1.61 0.00 0.00 178.31 177.80 1dps h ILE 162 N 0.76 0.86 -0.34 -0.55 2.04 -0.96 -3.00 117.51 116.34 1dps h ILE 162 Ca 0.24 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1dps h ILE 162 Cb -0.01 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1dps h ILE 162 CO -0.09 0.05 0.09 -0.33 0.00 0.00 0.00 178.15 177.88 1dps h GLU 163 N -0.37 0.49 0.00 2.37 5.08 -0.86 -2.43 114.58 118.86 1dps h GLU 163 Ca -0.03 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1dps h GLU 163 Cb 0.28 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1dps h GLU 163 CO 0.04 0.45 0.00 0.00 -1.00 0.00 0.00 179.01 178.50 1dps n ASN 165 N -2.88 1.08 -4.69 0.00 3.02 -0.92 -4.85 115.26 106.02 1dps n ASN 165 Ca 0.00 -0.96 -0.41 0.00 -0.03 0.00 0.00 54.58 53.18 1dps n ASN 165 Cb 0.25 0.11 -0.04 0.00 -0.61 0.00 0.00 39.78 39.50 1dps n ASN 165 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1dps s ILE 166 N -2.44 4.92 -2.00 2.41 1.01 -0.84 -5.00 121.20 119.26 1dps s ILE 166 Ca 0.26 1.68 0.15 0.00 0.00 0.00 0.00 60.65 62.74 1dps s ILE 166 Cb 0.19 -4.15 0.42 0.00 0.01 0.00 0.00 42.46 38.93 1dps s ILE 166 CO 0.50 0.11 1.30 -0.62 0.00 0.00 0.00 174.94 176.23