#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dcm n TYR 4 N 0.00 0.00 -3.90 -0.67 4.11 -1.26 -5.01 117.16 110.43 1dcm n TYR 4 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.78 1dcm n TYR 4 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.20 1dcm n TYR 4 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1dcm s THR 5 N -1.59 0.04 -0.11 -3.48 2.01 -0.66 -4.47 115.64 107.38 1dcm s THR 5 Ca 0.00 -0.09 -0.08 0.00 0.31 0.00 0.00 61.69 61.83 1dcm s THR 5 Cb 0.00 -0.06 -0.04 0.00 0.01 0.00 0.00 72.50 72.41 1dcm s THR 5 CO 0.00 -0.03 0.18 -0.69 -0.69 0.00 0.00 174.62 173.39 1dcm s VAL 6 N -0.12 5.43 -0.26 3.82 1.01 0.10 0.45 120.40 130.84 1dcm s VAL 6 Ca -0.01 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.28 1dcm s VAL 6 Cb -0.01 -3.45 0.05 0.00 0.00 0.00 0.00 36.38 32.97 1dcm s VAL 6 CO -0.00 0.59 -0.09 -1.00 0.00 0.00 0.00 175.10 174.61 1dcm s HIS 7 N -0.87 3.20 0.31 5.22 3.76 -0.36 -0.73 115.29 125.81 1dcm s HIS 7 Ca 0.16 -2.05 -0.11 0.00 -0.15 0.00 0.00 55.06 52.90 1dcm s HIS 7 Cb -0.13 -1.99 -0.08 0.00 1.11 0.00 0.00 32.58 31.50 1dcm s HIS 7 CO 0.05 -0.84 0.67 0.42 -0.85 0.00 0.00 174.74 174.20 1dcm s ILE 8 N 1.18 4.81 -0.17 0.60 -1.09 0.73 -0.90 121.20 126.36 1dcm s ILE 8 Ca -0.06 0.66 -0.06 0.00 -2.23 0.00 0.00 60.65 58.96 1dcm s ILE 8 Cb -0.19 -3.65 0.08 0.00 -1.58 0.00 0.00 42.46 37.12 1dcm s ILE 8 CO -0.05 -0.24 0.36 -0.69 -1.23 0.00 0.00 174.94 173.09 1dcm s VAL 9 N -2.04 -0.51 0.04 2.92 1.01 -1.07 -2.69 120.40 118.07 1dcm s VAL 9 Ca 0.51 0.20 -0.17 0.00 0.00 0.00 0.00 61.98 62.52 1dcm s VAL 9 Cb -0.11 -0.57 0.03 0.00 0.00 0.00 0.00 36.38 35.73 1dcm s VAL 9 CO 0.23 0.09 0.37 -0.62 0.00 0.00 0.00 175.10 175.17 1dcm s ASP 10 N 2.42 -0.23 -0.00 3.32 3.68 -1.26 -2.56 116.67 122.04 1dcm s ASP 10 Ca -0.01 -0.04 0.04 0.00 2.13 0.00 0.00 52.55 54.66 1dcm s ASP 10 Cb -0.12 0.40 -0.25 0.00 -1.45 0.00 0.00 42.92 41.50 1dcm s ASP 10 CO -0.11 -0.63 0.83 -2.24 0.13 0.00 0.00 175.17 173.15 1dcm h ASP 11 N 3.15 0.19 -3.56 -0.34 2.03 -1.90 -3.42 116.42 112.58 1dcm h ASP 11 Ca -0.31 -0.30 -0.62 0.00 -0.73 0.00 0.00 57.03 55.07 1dcm h ASP 11 Cb 1.20 -0.06 -0.12 0.00 -0.83 0.00 0.00 39.33 39.51 1dcm h ASP 11 CO 0.44 1.26 0.29 -1.61 -1.03 0.00 0.00 179.24 178.58 1dcm s GLU 12 N -2.62 3.65 0.31 4.15 2.02 -1.26 -4.95 118.70 120.00 1dcm s GLU 12 Ca -0.07 0.13 0.06 0.00 0.02 0.00 0.00 54.97 55.11 1dcm s GLU 12 Cb 0.08 -3.84 0.72 0.00 0.10 0.00 0.00 34.13 31.19 1dcm s GLU 12 CO 0.83 -0.86 1.82 1.05 0.02 0.00 0.00 175.26 178.11 1dcm h GLU 13 N 8.57 0.78 -0.37 1.61 -0.00 -1.97 -2.76 114.58 120.45 1dcm h GLU 13 Ca -0.25 -0.05 -0.04 0.00 -0.00 0.00 0.00 59.36 59.02 1dcm h GLU 13 Cb 1.10 -0.18 -0.02 0.00 -0.00 0.00 0.00 28.75 29.66 1dcm h GLU 13 CO 0.89 0.52 0.09 -1.00 -0.00 0.00 0.00 179.01 179.51 1dcm h PRO 14 N 0.81 0.59 -0.05 1.06 0.13 -1.99 -3.11 132.00 129.43 1dcm h PRO 14 Ca 0.52 -0.14 -0.04 0.00 -0.87 0.00 0.00 66.00 65.47 1dcm h PRO 14 Cb 0.75 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 1dcm h PRO 14 CO -0.30 0.63 -0.14 0.28 -0.23 0.00 0.00 178.00 178.24 1dcm h VAL 15 N 0.45 1.13 0.93 1.56 2.07 -1.92 -1.97 116.25 118.50 1dcm h VAL 15 Ca 0.12 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 1dcm h VAL 15 Cb 0.30 1.25 0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1dcm h VAL 15 CO 0.00 0.18 -0.45 0.03 0.02 0.00 0.00 177.57 177.35 1dcm h ARG 16 N 0.08 -1.21 -0.60 1.57 3.08 -1.45 -1.59 114.38 114.26 1dcm h ARG 16 Ca 0.02 0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.17 1dcm h ARG 16 Cb 0.30 0.27 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 1dcm h ARG 16 CO 0.02 -0.80 0.40 0.87 -1.07 0.00 0.00 179.97 179.39 1dcm h LYS 17 N -1.31 0.72 0.58 0.04 1.79 -1.48 0.11 116.57 117.01 1dcm h LYS 17 Ca -0.13 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.27 1dcm h LYS 17 Cb 0.96 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1dcm h LYS 17 CO 0.21 0.47 -0.29 1.03 -1.08 0.00 0.00 179.45 179.79 1dcm h SER 18 N 0.74 -0.69 0.19 0.86 0.87 -1.33 0.55 113.55 114.73 1dcm h SER 18 Ca 0.24 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.84 1dcm h SER 18 Cb 0.04 0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 1dcm h SER 18 CO -0.06 -0.48 -0.28 0.25 -0.53 0.00 0.00 176.83 175.73 1dcm h LEU 19 N -0.79 -0.77 -0.76 2.23 6.46 -0.95 -1.44 115.31 119.29 1dcm h LEU 19 Ca -0.08 0.08 0.11 0.00 -0.12 0.00 0.00 57.88 57.88 1dcm h LEU 19 Cb 0.61 0.28 -0.08 0.00 -0.73 0.00 0.00 40.66 40.74 1dcm h LEU 19 CO 0.12 -0.38 0.37 0.00 -0.62 0.00 0.00 178.44 177.93 1dcm h ALA 20 N 0.13 1.08 -0.32 1.25 0.00 -0.81 -0.46 119.26 120.12 1dcm h ALA 20 Ca 0.01 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1dcm h ALA 20 Cb 0.53 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1dcm h ALA 20 CO -0.12 -0.07 0.20 0.35 0.00 0.00 0.00 179.25 179.61 1dcm h PHE 21 N 0.59 0.42 -0.38 0.00 3.57 -0.58 -0.73 116.94 119.84 1dcm h PHE 21 Ca 0.39 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.92 1dcm h PHE 21 Cb 0.48 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 1dcm h PHE 21 CO -0.11 0.31 0.19 1.98 -2.23 0.00 0.00 178.31 178.45 1dcm h MET 22 N 0.42 0.38 -0.54 1.11 4.05 -0.13 -0.51 114.93 119.70 1dcm h MET 22 Ca 0.12 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.47 1dcm h MET 22 Cb 0.01 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.69 1dcm h MET 22 CO -0.02 0.25 0.16 -0.07 0.23 0.00 0.00 176.91 177.46 1dcm h LEU 23 N 0.39 0.75 0.01 3.39 3.38 -0.85 -2.40 115.31 119.98 1dcm h LEU 23 Ca 0.16 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1dcm h LEU 23 Cb 0.06 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1dcm h LEU 23 CO -0.11 0.71 -0.01 0.74 0.09 0.00 0.00 178.44 179.87 1dcm h THR 24 N 0.79 1.29 -0.17 0.22 2.02 -0.74 -2.09 112.91 114.23 1dcm h THR 24 Ca 0.18 -0.93 0.05 0.00 0.77 0.00 0.00 66.41 66.47 1dcm h THR 24 Cb 0.24 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 1dcm h THR 24 CO -0.01 0.24 0.23 -0.03 0.37 0.00 0.00 175.52 176.32 1dcm h MET 25 N -0.42 0.00 -0.63 6.66 -1.53 -0.99 0.13 114.93 118.15 1dcm h MET 25 Ca -0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1dcm h MET 25 Cb 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.46 1dcm h MET 25 CO 0.00 0.00 0.00 0.09 0.14 0.00 0.00 176.91 177.14 1dcm n ASN 26 N -3.61 3.53 0.00 1.39 3.02 -0.92 -4.94 115.26 113.73 1dcm n ASN 26 Ca 0.01 -2.38 0.00 0.00 -0.03 0.00 0.00 54.58 52.19 1dcm n ASN 26 Cb 0.34 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 1dcm n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dcm n GLY 27 N 0.74 0.75 3.92 7.41 0.00 0.46 -5.04 105.19 113.43 1dcm n GLY 27 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1dcm n GLY 27 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dcm s PHE 28 N -2.69 3.22 -0.43 1.61 0.40 -0.81 -5.02 117.98 114.27 1dcm s PHE 28 Ca 0.00 0.63 -0.11 0.00 -0.60 0.00 0.00 56.93 56.85 1dcm s PHE 28 Cb 0.00 -2.78 0.08 0.00 0.51 0.00 0.00 43.02 40.83 1dcm s PHE 28 CO 0.00 -0.87 0.29 0.00 0.70 0.00 0.00 175.22 175.33 1dcm s ALA 29 N -3.01 3.35 0.33 5.36 0.00 -1.26 -4.49 121.76 122.04 1dcm s ALA 29 Ca 0.54 -2.13 0.07 0.00 0.00 0.00 0.00 51.96 50.44 1dcm s ALA 29 Cb -0.11 -2.75 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 1dcm s ALA 29 CO 0.45 -1.66 0.33 0.08 0.00 0.00 0.00 175.76 174.96 1dcm s VAL 30 N 1.48 3.67 -0.24 0.00 1.01 -1.26 0.03 120.40 125.08 1dcm s VAL 30 Ca 0.03 -1.29 -0.08 0.00 0.00 0.00 0.00 61.98 60.64 1dcm s VAL 30 Cb -0.23 -3.24 0.11 0.00 0.00 0.00 0.00 36.38 33.01 1dcm s VAL 30 CO 0.03 -0.17 0.51 -0.75 0.00 0.00 0.00 175.10 174.72 1dcm s LYS 31 N -4.03 0.43 0.25 2.72 2.20 0.09 -4.83 119.74 116.56 1dcm s LYS 31 Ca 0.42 1.20 -0.10 0.00 -0.36 0.00 0.00 55.97 57.13 1dcm s LYS 31 Cb -0.07 0.54 -0.07 0.00 -1.51 0.00 0.00 37.83 36.72 1dcm s LYS 31 CO 0.27 -0.23 0.58 -1.64 -0.36 0.00 0.00 175.35 173.98 1dcm s MET 32 N 2.69 3.82 -0.05 4.03 -1.94 -1.26 -0.19 119.30 126.41 1dcm s MET 32 Ca -0.04 0.33 -0.01 0.00 -1.71 0.00 0.00 55.69 54.26 1dcm s MET 32 Cb -0.12 -2.61 0.03 0.00 2.01 0.00 0.00 34.83 34.14 1dcm s MET 32 CO -0.15 0.28 0.04 -1.01 -0.01 0.00 0.00 175.02 174.16 1dcm s HIS 33 N -1.87 0.23 0.44 -0.03 3.76 -1.09 -4.92 115.29 111.81 1dcm s HIS 33 Ca 0.48 0.12 0.32 0.00 -0.15 0.00 0.00 55.06 55.84 1dcm s HIS 33 Cb -0.11 -0.54 1.76 0.00 1.11 0.00 0.00 32.58 34.81 1dcm s HIS 33 CO 0.21 -0.21 1.98 -0.56 -0.85 0.00 0.00 174.74 175.31 1dcm h GLN 34 N 8.21 0.00 -1.96 1.40 3.07 -1.89 -3.36 115.11 120.57 1dcm h GLN 34 Ca -0.19 0.00 0.21 0.00 0.09 0.00 0.00 58.65 58.75 1dcm h GLN 34 Cb 1.12 0.00 -0.13 0.00 0.08 0.00 0.00 27.48 28.55 1dcm h GLN 34 CO 0.23 0.00 0.62 -1.54 0.09 0.00 0.00 178.83 178.24 1dcm s SER 35 N -4.52 -0.20 0.06 0.06 1.04 -1.26 -4.90 113.70 103.98 1dcm s SER 35 Ca -0.04 -0.16 -0.25 0.00 0.48 0.00 0.00 55.95 55.99 1dcm s SER 35 Cb 0.09 0.32 -0.17 0.00 0.10 0.00 0.00 66.02 66.37 1dcm s SER 35 CO 0.29 -0.56 1.58 0.00 0.98 0.00 0.00 173.24 175.53 1dcm h ALA 36 N 2.00 -0.18 -0.51 5.32 0.00 -1.88 -1.80 119.26 122.21 1dcm h ALA 36 Ca -0.22 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 54.74 1dcm h ALA 36 Cb 1.22 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1dcm h ALA 36 CO 0.27 -0.53 0.37 0.93 0.00 0.00 0.00 179.25 180.28 1dcm h GLU 37 N -0.31 0.03 -0.02 0.00 5.08 -1.96 0.46 114.58 117.86 1dcm h GLU 37 Ca -0.02 -0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.11 1dcm h GLU 37 Cb 0.25 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.49 1dcm h GLU 37 CO 0.03 0.02 -0.93 0.00 -1.00 0.00 0.00 179.01 177.13 1dcm h ALA 38 N 1.74 0.33 0.67 3.43 0.00 -1.84 -2.88 119.26 120.71 1dcm h ALA 38 Ca 0.24 -0.69 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1dcm h ALA 38 Cb 0.93 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.72 1dcm h ALA 38 CO -0.01 0.77 -0.32 0.35 0.00 0.00 0.00 179.25 180.04 1dcm h PHE 39 N 0.30 -0.83 -0.88 0.00 3.57 0.58 -2.06 116.94 117.62 1dcm h PHE 39 Ca -0.08 -0.02 0.23 0.00 3.53 0.00 0.00 57.97 61.63 1dcm h PHE 39 Cb 1.56 0.27 -0.17 0.00 2.79 0.00 0.00 35.95 40.41 1dcm h PHE 39 CO 0.07 -0.51 -0.01 1.28 -2.23 0.00 0.00 178.31 176.91 1dcm n LEU 40 N -5.37 -0.13 0.11 0.59 4.77 0.70 0.18 117.00 117.84 1dcm n LEU 40 Ca -0.11 1.50 -0.13 0.00 -0.03 0.00 0.00 56.01 57.24 1dcm n LEU 40 Cb 0.36 -0.54 -0.06 0.00 -2.33 0.00 0.00 43.42 40.85 1dcm n LEU 40 CO 0.27 -1.51 0.65 0.00 -1.33 0.00 0.00 177.39 175.47 1dcm h ALA 41 N 1.77 -0.52 0.00 -1.18 0.00 -1.34 -2.62 119.26 115.36 1dcm h ALA 41 Ca 0.52 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 1dcm h ALA 41 Cb 1.04 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 1dcm h ALA 41 CO -0.84 -0.85 -0.01 0.35 0.00 0.00 0.00 179.25 177.90 1dcm h PHE 42 N -0.52 0.00 -0.64 0.00 3.57 0.26 -3.36 116.94 116.24 1dcm h PHE 42 Ca 0.04 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.67 1dcm h PHE 42 Cb 0.56 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.19 1dcm h PHE 42 CO -0.29 0.01 -0.09 0.00 -2.23 0.00 0.00 178.31 175.71 1dcm h ALA 43 N 1.99 0.52 0.00 2.41 0.00 0.13 -1.92 119.26 122.38 1dcm h ALA 43 Ca -0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1dcm h ALA 43 Cb 0.62 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1dcm h ALA 43 CO 0.00 -0.42 0.02 -2.30 0.00 0.00 0.00 179.25 176.55 1dcm n PRO 44 N -5.37 0.11 -0.04 0.00 -0.02 -1.26 -1.97 135.00 126.45 1dcm n PRO 44 Ca 0.09 0.61 -0.09 0.00 -2.02 0.00 0.00 63.50 62.09 1dcm n PRO 44 Cb 0.35 -1.89 -0.14 0.00 -0.02 0.00 0.00 33.50 31.79 1dcm n PRO 44 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1dcm n ASP 45 N -2.12 0.69 -4.55 2.55 8.00 -0.73 -4.98 116.55 115.43 1dcm n ASP 45 Ca -0.01 0.32 -0.47 0.00 0.71 0.00 0.00 54.79 55.34 1dcm n ASP 45 Cb 0.05 0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 1dcm n ASP 45 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1dcm n VAL 46 N -2.98 1.48 -3.34 2.53 0.31 -0.83 -4.99 118.33 110.51 1dcm n VAL 46 Ca -0.21 -0.37 -0.12 0.00 -0.01 0.00 0.00 64.34 63.63 1dcm n VAL 46 Cb 1.08 -0.72 -0.07 0.00 -0.91 0.00 0.00 33.84 33.21 1dcm n VAL 46 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1dcm s ARG 47 N -0.93 0.43 0.00 5.55 3.00 -1.26 -4.93 118.95 120.81 1dcm s ARG 47 Ca 0.67 -0.11 0.00 0.00 0.00 0.00 0.00 55.73 56.28 1dcm s ARG 47 Cb -0.82 -0.46 0.00 0.00 0.00 0.00 0.00 34.95 33.67 1dcm s ARG 47 CO 0.56 -1.06 0.00 0.09 0.00 0.00 0.00 175.30 174.89 1dcm n ASN 48 N 5.15 -1.63 -3.72 0.23 3.02 -1.26 -4.94 115.26 112.10 1dcm n ASN 48 Ca 0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.44 1dcm n ASN 48 Cb 0.48 -0.59 -0.10 0.00 -0.61 0.00 0.00 39.78 38.96 1dcm n ASN 48 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1dcm s GLY 49 N -2.45 -0.33 0.22 7.41 0.00 -1.26 -1.65 107.32 109.25 1dcm s GLY 49 Ca 0.00 1.27 -0.03 0.00 0.00 0.00 0.00 44.72 45.97 1dcm s GLY 49 CO 0.00 1.15 0.44 0.14 0.00 0.00 0.00 173.10 174.83 1dcm s VAL 50 N 0.39 5.14 -0.14 1.40 1.01 0.17 -4.47 120.40 123.91 1dcm s VAL 50 Ca -0.01 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1dcm s VAL 50 Cb -0.04 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.64 1dcm s VAL 50 CO -0.01 -0.19 -0.20 -0.22 0.00 0.00 0.00 175.10 174.47 1dcm s LEU 51 N -3.30 2.01 -0.09 3.92 2.96 -0.46 -1.23 118.68 122.50 1dcm s LEU 51 Ca 0.41 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.73 1dcm s LEU 51 Cb -0.11 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.18 1dcm s LEU 51 CO 0.29 0.06 0.03 -0.69 -1.32 0.00 0.00 176.35 174.71 1dcm s VAL 52 N 0.89 4.51 -0.12 1.68 1.01 -0.08 -0.88 120.40 127.41 1dcm s VAL 52 Ca -0.06 -0.19 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 1dcm s VAL 52 Cb -0.15 -2.92 0.05 0.00 0.00 0.00 0.00 36.38 33.37 1dcm s VAL 52 CO -0.03 0.59 0.27 -0.89 0.00 0.00 0.00 175.10 175.05 1dcm s THR 53 N -0.92 -0.17 0.47 3.92 2.01 -1.01 -2.60 115.64 117.34 1dcm s THR 53 Ca 0.14 0.19 -0.22 0.00 0.31 0.00 0.00 61.69 62.11 1dcm s THR 53 Cb -0.11 -0.43 -0.07 0.00 0.01 0.00 0.00 72.50 71.89 1dcm s THR 53 CO 0.03 0.08 1.13 -0.62 -0.69 0.00 0.00 174.62 174.55 1dcm s ASP 54 N 1.67 6.17 0.00 3.53 2.15 -1.06 -0.74 116.67 128.38 1dcm s ASP 54 Ca -0.06 2.20 0.00 0.00 0.43 0.00 0.00 52.55 55.12 1dcm s ASP 54 Cb -0.11 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 1dcm s ASP 54 CO -0.09 -0.91 0.01 0.18 -0.17 0.00 0.00 175.17 174.19 1dcm n LEU 55 N -0.66 0.13 -4.54 -1.34 4.77 -0.47 -4.12 117.00 110.77 1dcm n LEU 55 Ca 0.08 0.01 -0.51 0.00 -0.03 0.00 0.00 56.01 55.56 1dcm n LEU 55 Cb 0.49 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 1dcm n LEU 55 CO 0.45 0.00 1.67 0.54 -1.33 0.00 0.00 177.39 178.73 1dcm n ARG 56 N -0.03 1.32 -4.13 3.23 1.74 -1.26 -2.13 116.66 115.40 1dcm n ARG 56 Ca 0.00 0.41 -0.10 0.00 -0.77 0.00 0.00 57.85 57.39 1dcm n ARG 56 Cb 0.00 -2.47 -0.10 0.00 -1.02 0.00 0.00 32.46 28.87 1dcm n ARG 56 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1dcm s MET 57 N 5.43 0.73 0.00 5.56 -1.94 -1.26 -4.91 119.30 122.90 1dcm s MET 57 Ca 1.04 -1.19 -0.05 0.00 -1.71 0.00 0.00 55.69 53.79 1dcm s MET 57 Cb -0.84 -0.16 -0.03 0.00 2.01 0.00 0.00 34.83 35.82 1dcm s MET 57 CO 0.52 -0.02 0.74 -1.00 -0.01 0.00 0.00 175.02 175.24 1dcm h PRO 58 N 3.34 -0.17 0.00 2.03 0.13 -1.98 -3.42 132.00 131.93 1dcm h PRO 58 Ca -0.35 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1dcm h PRO 58 Cb 1.17 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1dcm h PRO 58 CO 0.60 -0.11 0.00 -0.25 -0.23 0.00 0.00 178.00 178.00 1dcm n ASP 59 N -2.66 0.00 -4.46 1.44 8.00 -1.26 -4.84 116.55 112.77 1dcm n ASP 59 Ca -0.02 0.57 -0.33 0.00 0.71 0.00 0.00 54.79 55.71 1dcm n ASP 59 Cb 0.07 -0.30 -0.13 0.00 -0.02 0.00 0.00 41.12 40.74 1dcm n ASP 59 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1dcm s MET 60 N -1.46 3.44 0.57 -1.24 1.75 -1.26 -5.12 119.30 115.98 1dcm s MET 60 Ca 0.00 -0.59 -0.11 0.00 -1.25 0.00 0.00 55.69 53.74 1dcm s MET 60 Cb 0.00 -2.76 -0.05 0.00 2.84 0.00 0.00 34.83 34.86 1dcm s MET 60 CO 0.00 0.29 0.98 0.45 -0.65 0.00 0.00 175.02 176.09 1dcm s SER 61 N 0.20 6.32 0.19 1.11 0.15 -1.26 -4.58 113.70 115.83 1dcm s SER 61 Ca -0.05 1.38 -0.12 0.00 0.70 0.00 0.00 55.95 57.87 1dcm s SER 61 Cb -0.14 -2.45 0.12 0.00 -1.71 0.00 0.00 66.02 61.84 1dcm s SER 61 CO 0.04 -0.76 1.84 1.23 1.20 0.00 0.00 173.24 176.78 1dcm h GLY 62 N 0.05 0.96 0.99 9.45 0.00 -1.58 0.54 103.07 113.49 1dcm h GLY 62 Ca -0.45 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.45 1dcm h GLY 62 CO 0.62 0.38 -0.36 -2.08 0.00 0.00 0.00 176.54 175.10 1dcm h VAL 63 N 0.90 0.25 -0.95 4.60 2.07 -1.90 -2.35 116.25 118.87 1dcm h VAL 63 Ca 0.24 -0.03 0.14 0.00 0.82 0.00 0.00 66.70 67.87 1dcm h VAL 63 Cb -0.04 0.26 -0.08 0.00 -1.52 0.00 0.00 31.29 29.91 1dcm h VAL 63 CO -0.05 0.00 0.60 -0.33 0.02 0.00 0.00 177.57 177.82 1dcm h GLU 64 N -1.03 0.79 -0.12 1.57 5.08 -1.86 0.43 114.58 119.44 1dcm h GLU 64 Ca -0.10 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 1dcm h GLU 64 Cb 0.78 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1dcm h GLU 64 CO 0.17 0.52 -0.20 1.25 -1.00 0.00 0.00 179.01 179.75 1dcm h LEU 65 N 0.81 0.19 0.01 1.33 5.85 0.20 -0.05 115.31 123.65 1dcm h LEU 65 Ca 0.48 -0.05 -0.27 0.00 0.84 0.00 0.00 57.88 58.89 1dcm h LEU 65 Cb 0.66 -0.05 0.02 0.00 0.37 0.00 0.00 40.66 41.67 1dcm h LEU 65 CO -0.25 0.40 -1.05 -0.07 -0.34 0.00 0.00 178.44 177.13 1dcm h LEU 66 N 0.18 0.90 -0.18 2.25 3.38 0.30 -2.69 115.31 119.45 1dcm h LEU 66 Ca 0.03 -0.75 -0.01 0.00 0.09 0.00 0.00 57.88 57.25 1dcm h LEU 66 Cb 0.46 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1dcm h LEU 66 CO 0.03 1.53 0.08 0.03 0.09 0.00 0.00 178.44 180.20 1dcm h ARG 67 N 0.37 0.26 -0.02 1.13 3.08 -0.60 -1.15 114.38 117.45 1dcm h ARG 67 Ca -0.13 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.88 1dcm h ARG 67 Cb 1.71 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.71 1dcm h ARG 67 CO 0.21 0.31 0.04 -0.91 -1.07 0.00 0.00 179.97 178.55 1dcm h ASN 68 N 0.14 0.00 1.09 7.04 4.21 -1.04 0.97 115.58 128.00 1dcm h ASN 68 Ca 0.06 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.43 1dcm h ASN 68 Cb 0.15 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.32 1dcm h ASN 68 CO -0.01 0.00 -0.96 -0.07 -1.29 0.00 0.00 177.43 175.10 1dcm h LEU 69 N 0.00 0.00 0.49 1.61 3.38 -1.05 -3.27 115.31 116.47 1dcm h LEU 69 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1dcm h LEU 69 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1dcm h LEU 69 CO -0.00 0.58 -0.23 1.23 0.09 0.00 0.00 178.44 180.11 1dcm h GLY 70 N 3.55 -0.68 -0.78 0.83 0.00 0.21 -2.71 103.07 103.50 1dcm h GLY 70 Ca -0.08 0.25 0.38 0.00 0.00 0.00 0.00 47.33 47.88 1dcm h GLY 70 CO 0.06 -0.25 0.80 -0.55 0.00 0.00 0.00 176.54 176.61 1dcm h ASP 71 N -0.92 0.29 -0.26 0.19 3.32 -1.25 1.26 116.42 119.05 1dcm h ASP 71 Ca -0.07 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1dcm h ASP 71 Cb 0.59 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1dcm h ASP 71 CO 0.11 -0.09 0.00 0.18 -1.72 0.00 0.00 179.24 177.72 1dcm n LEU 72 N -4.64 2.12 -4.15 1.55 4.77 -1.16 -4.95 117.00 110.54 1dcm n LEU 72 Ca 0.33 -0.93 -0.33 0.00 -0.03 0.00 0.00 56.01 55.04 1dcm n LEU 72 Cb 1.26 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 42.15 1dcm n LEU 72 CO 0.23 0.47 -0.08 2.29 -1.33 0.00 0.00 177.39 178.97 1dcm n LYS 73 N 0.63 -3.27 -3.24 3.23 -0.00 0.43 -4.95 118.16 110.99 1dcm n LYS 73 Ca 0.16 0.38 -0.39 0.00 -0.00 0.00 0.00 58.31 58.47 1dcm n LYS 73 Cb 0.39 -4.95 -0.06 0.00 -0.00 0.00 0.00 35.03 30.41 1dcm n LYS 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1dcm s ILE 74 N -3.47 5.05 -0.89 0.58 1.01 -1.05 -5.03 121.20 117.40 1dcm s ILE 74 Ca 0.55 1.14 -0.18 0.00 0.00 0.00 0.00 60.65 62.17 1dcm s ILE 74 Cb -0.30 -3.89 0.15 0.00 0.01 0.00 0.00 42.46 38.42 1dcm s ILE 74 CO 0.92 0.36 1.03 0.54 0.00 0.00 0.00 174.94 177.79 1dcm s ASN 75 N 0.25 6.63 -0.32 3.58 2.20 -1.26 -4.85 114.94 121.16 1dcm s ASN 75 Ca 0.30 -2.13 -0.01 0.00 -0.94 0.00 0.00 52.86 50.08 1dcm s ASN 75 Cb -0.17 -2.36 0.11 0.00 -2.00 0.00 0.00 41.25 36.83 1dcm s ASN 75 CO 0.14 -0.97 0.13 -0.63 -2.94 0.00 0.00 177.10 172.83 1dcm s ILE 76 N 2.20 0.66 0.12 0.54 1.01 -1.26 -4.93 121.20 119.54 1dcm s ILE 76 Ca 0.29 -1.41 -0.34 0.00 0.00 0.00 0.00 60.65 59.19 1dcm s ILE 76 Cb -0.07 -1.50 -0.18 0.00 0.01 0.00 0.00 42.46 40.72 1dcm s ILE 76 CO -0.08 -0.74 0.91 -2.65 0.00 0.00 0.00 174.94 172.38 1dcm n PRO 77 N 4.72 0.35 -3.76 2.79 -0.02 -1.26 -4.66 135.00 133.16 1dcm n PRO 77 Ca -0.01 0.12 -0.26 0.00 -2.02 0.00 0.00 63.50 61.34 1dcm n PRO 77 Cb 0.41 -1.45 -0.17 0.00 -0.02 0.00 0.00 33.50 32.26 1dcm n PRO 77 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1dcm s SER 78 N -0.34 2.36 0.11 2.55 0.01 -1.26 -1.35 113.70 115.76 1dcm s SER 78 Ca 0.76 -0.51 -0.19 0.00 1.31 0.00 0.00 55.95 57.32 1dcm s SER 78 Cb -1.03 -0.55 -0.07 0.00 0.21 0.00 0.00 66.02 64.58 1dcm s SER 78 CO 0.55 -0.25 0.60 -0.63 0.41 0.00 0.00 173.24 173.92 1dcm s ILE 79 N 1.90 4.70 -0.15 1.44 -1.09 -0.05 -2.46 121.20 125.49 1dcm s ILE 79 Ca 0.02 1.21 0.01 0.00 -2.23 0.00 0.00 60.65 59.66 1dcm s ILE 79 Cb -0.15 -3.89 -0.00 0.00 -1.58 0.00 0.00 42.46 36.83 1dcm s ILE 79 CO -0.07 0.47 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.26 1dcm s VAL 80 N -1.21 2.62 -0.24 2.92 1.01 -0.58 -2.41 120.40 122.51 1dcm s VAL 80 Ca 0.32 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.34 1dcm s VAL 80 Cb -0.19 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1dcm s VAL 80 CO 0.20 0.52 0.45 -0.63 0.00 0.00 0.00 175.10 175.64 1dcm s ILE 81 N 0.73 5.13 0.47 2.22 1.01 0.08 -1.55 121.20 129.28 1dcm s ILE 81 Ca -0.07 0.77 0.08 0.00 0.00 0.00 0.00 60.65 61.43 1dcm s ILE 81 Cb -0.16 -3.77 0.03 0.00 0.01 0.00 0.00 42.46 38.57 1dcm s ILE 81 CO 0.01 0.15 0.59 0.42 0.00 0.00 0.00 174.94 176.11 1dcm s THR 82 N 1.95 2.66 0.33 2.92 -4.23 -0.67 -1.36 115.64 117.24 1dcm s THR 82 Ca 0.19 -1.07 -0.04 0.00 -1.18 0.00 0.00 61.69 59.59 1dcm s THR 82 Cb -0.15 -2.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.91 1dcm s THR 82 CO 0.09 0.00 0.59 -0.83 -0.54 0.00 0.00 174.62 173.93 1dcm s GLY 83 N -4.40 1.67 0.11 3.99 0.00 -1.26 -2.84 107.32 104.60 1dcm s GLY 83 Ca 0.55 -0.63 -0.34 0.00 0.00 0.00 0.00 44.72 44.29 1dcm s GLY 83 CO 0.33 -0.53 1.60 1.57 0.00 0.00 0.00 173.10 176.08 1dcm n HIS 84 N -1.35 2.22 -3.83 1.90 -0.00 -1.25 -2.25 115.22 110.66 1dcm n HIS 84 Ca -0.02 0.26 -0.29 0.00 0.46 0.00 0.00 57.72 58.13 1dcm n HIS 84 Cb 0.55 -2.54 0.04 0.00 -0.12 0.00 0.00 29.99 27.91 1dcm n HIS 84 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1dcm n GLY 85 N 3.49 -0.51 3.05 1.57 0.00 -1.26 -4.94 105.19 106.58 1dcm n GLY 85 Ca 0.18 0.21 -0.34 0.00 0.00 0.00 0.00 46.02 46.06 1dcm n GLY 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dcm s ASP 86 N -3.28 5.01 -0.08 1.61 3.68 -0.95 -5.00 116.67 117.66 1dcm s ASP 86 Ca 0.65 -3.02 -0.19 0.00 2.13 0.00 0.00 52.55 52.12 1dcm s ASP 86 Cb -0.32 -1.79 -0.15 0.00 -1.45 0.00 0.00 42.92 39.22 1dcm s ASP 86 CO 0.80 -0.30 0.69 0.58 0.13 0.00 0.00 175.17 177.07 1dcm h VAL 87 N 5.19 0.85 -0.88 1.11 2.07 -1.92 -3.25 116.25 119.42 1dcm h VAL 87 Ca -0.01 -1.32 0.16 0.00 0.82 0.00 0.00 66.70 66.35 1dcm h VAL 87 Cb 0.91 1.51 -0.10 0.00 -1.52 0.00 0.00 31.29 32.09 1dcm h VAL 87 CO 0.72 0.25 0.47 -0.65 0.02 0.00 0.00 177.57 178.37 1dcm h PRO 88 N -0.92 0.62 0.14 1.57 0.11 -1.99 -1.65 132.00 129.88 1dcm h PRO 88 Ca -0.02 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1dcm h PRO 88 Cb 0.52 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1dcm h PRO 88 CO 0.02 0.41 -0.07 0.52 -0.21 0.00 0.00 178.00 178.68 1dcm h MET 89 N 0.64 -0.18 -0.68 1.05 2.86 -1.99 0.86 114.93 117.49 1dcm h MET 89 Ca 0.49 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 58.26 1dcm h MET 89 Cb 0.72 0.04 -0.08 0.00 0.06 0.00 0.00 31.60 32.34 1dcm h MET 89 CO -0.38 0.06 0.27 0.00 1.06 0.00 0.00 176.91 177.93 1dcm h ALA 90 N 0.42 0.92 0.29 6.32 0.00 -1.44 -1.51 119.26 124.25 1dcm h ALA 90 Ca -0.02 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1dcm h ALA 90 Cb 0.33 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1dcm h ALA 90 CO 0.03 -0.18 -0.14 0.28 0.00 0.00 0.00 179.25 179.24 1dcm h VAL 91 N 0.44 0.75 0.00 0.00 2.07 -1.18 -2.51 116.25 115.82 1dcm h VAL 91 Ca 0.36 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1dcm h VAL 91 Cb 0.48 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1dcm h VAL 91 CO -0.35 0.05 0.29 -0.08 0.02 0.00 0.00 177.57 177.51 1dcm h GLU 92 N -0.52 0.00 0.00 1.57 4.81 0.12 0.50 114.58 121.07 1dcm h GLU 92 Ca -0.04 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.96 1dcm h GLU 92 Cb 0.38 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 1dcm h GLU 92 CO 0.07 0.00 -1.28 0.00 -0.73 0.00 0.00 179.01 177.07 1dcm h ALA 93 N 1.41 0.56 -0.01 2.92 0.00 -0.86 -2.79 119.26 120.49 1dcm h ALA 93 Ca 0.00 -1.10 -0.21 0.00 0.00 0.00 0.00 54.91 53.59 1dcm h ALA 93 Cb 0.58 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1dcm h ALA 93 CO 0.00 1.33 -0.89 0.52 0.00 0.00 0.00 179.25 180.21 1dcm h MET 94 N 0.00 0.37 0.00 0.00 2.86 -0.83 0.16 114.93 117.49 1dcm h MET 94 Ca -0.13 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 57.11 1dcm h MET 94 Cb 1.83 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 33.60 1dcm h MET 94 CO 0.10 1.05 -0.08 -0.22 1.06 0.00 0.00 176.91 178.82 1dcm h LYS 95 N 0.21 0.00 -0.26 1.72 3.64 -1.46 -2.92 116.57 117.49 1dcm h LYS 95 Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1dcm h LYS 95 Cb 1.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 1dcm h LYS 95 CO 0.15 0.08 0.00 0.00 -2.27 0.00 0.00 179.45 177.42 1dcm n ALA 96 N -2.15 2.46 0.00 5.00 0.00 -1.05 -4.94 120.51 119.82 1dcm n ALA 96 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1dcm n ALA 96 Cb 0.34 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1dcm n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dcm n GLY 97 N 1.38 0.89 3.71 0.00 0.00 -1.10 -4.58 105.19 105.49 1dcm n GLY 97 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1dcm n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dcm s ALA 98 N -2.00 3.52 0.10 4.61 0.00 0.55 -4.65 121.76 123.88 1dcm s ALA 98 Ca 0.00 1.02 -0.18 0.00 0.00 0.00 0.00 51.96 52.79 1dcm s ALA 98 Cb 0.00 -3.51 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 1dcm s ALA 98 CO 0.00 -0.56 1.58 0.28 0.00 0.00 0.00 175.76 177.07 1dcm h VAL 99 N 4.36 1.22 -3.54 0.00 2.07 -1.80 -3.41 116.25 115.16 1dcm h VAL 99 Ca -0.42 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.29 1dcm h VAL 99 Cb 1.21 1.18 -0.14 0.00 -1.52 0.00 0.00 31.29 32.03 1dcm h VAL 99 CO 0.85 0.24 -0.20 -0.62 0.02 0.00 0.00 177.57 177.86 1dcm s ASP 100 N -5.84 -0.09 0.16 0.57 2.15 -1.25 -5.06 116.67 107.30 1dcm s ASP 100 Ca -0.14 -0.43 0.09 0.00 0.43 0.00 0.00 52.55 52.50 1dcm s ASP 100 Cb 0.08 0.41 -0.04 0.00 -0.30 0.00 0.00 42.92 43.07 1dcm s ASP 100 CO 0.74 -0.79 -0.19 0.72 -0.17 0.00 0.00 175.17 175.49 1dcm s PHE 101 N -3.72 1.83 -0.18 -5.34 -0.12 -1.26 -1.53 117.98 107.67 1dcm s PHE 101 Ca 0.03 -0.46 -0.05 0.00 -0.05 0.00 0.00 56.93 56.40 1dcm s PHE 101 Cb 0.03 -0.92 0.07 0.00 -0.63 0.00 0.00 43.02 41.57 1dcm s PHE 101 CO -0.11 0.33 0.12 0.42 -0.05 0.00 0.00 175.22 175.93 1dcm s ILE 102 N -1.99 -0.15 0.59 -4.49 1.01 -0.60 -4.93 121.20 110.65 1dcm s ILE 102 Ca 0.15 -0.13 -0.18 0.00 0.00 0.00 0.00 60.65 60.49 1dcm s ILE 102 Cb -0.06 -0.59 -0.03 0.00 0.01 0.00 0.00 42.46 41.79 1dcm s ILE 102 CO 0.07 -0.25 1.13 -0.70 0.00 0.00 0.00 174.94 175.18 1dcm s GLU 103 N 2.19 3.10 0.12 2.79 2.12 -1.26 -1.68 118.70 126.08 1dcm s GLU 103 Ca 0.03 1.53 0.03 0.00 0.36 0.00 0.00 54.97 56.93 1dcm s GLU 103 Cb -0.16 -1.98 -0.04 0.00 0.26 0.00 0.00 34.13 32.22 1dcm s GLU 103 CO -0.10 -1.04 0.17 0.15 -0.54 0.00 0.00 175.26 173.91 1dcm s LYS 104 N -3.62 3.13 0.00 4.30 1.02 -1.13 -3.76 119.74 119.69 1dcm s LYS 104 Ca 0.71 -0.68 -0.23 0.00 0.02 0.00 0.00 55.97 55.79 1dcm s LYS 104 Cb -0.23 -2.82 -0.05 0.00 -0.52 0.00 0.00 37.83 34.21 1dcm s LYS 104 CO 0.33 0.54 0.67 -1.25 -0.92 0.00 0.00 175.35 174.72 1dcm s PRO 105 N -2.86 4.40 0.00 -1.68 0.04 -1.26 -3.90 135.00 129.74 1dcm s PRO 105 Ca 0.32 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1dcm s PRO 105 Cb -0.11 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1dcm s PRO 105 CO 0.25 0.29 0.00 1.97 0.04 0.00 0.00 177.00 179.55 1dcm n PHE 106 N 2.92 -0.43 -3.64 0.56 1.16 -1.25 -5.13 117.46 111.65 1dcm n PHE 106 Ca -0.04 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.45 1dcm n PHE 106 Cb 0.51 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.31 1dcm n PHE 106 CO 0.00 0.00 0.00 -1.83 -1.87 0.00 0.00 176.76 173.06 1dcm s GLU 107 N 1.07 0.73 0.00 3.97 1.03 -1.26 -5.08 118.70 119.17 1dcm s GLU 107 Ca 0.00 1.18 0.00 0.00 0.03 0.00 0.00 54.97 56.18 1dcm s GLU 107 Cb 0.00 0.20 0.00 0.00 -0.80 0.00 0.00 34.13 33.53 1dcm s GLU 107 CO 0.00 -0.14 0.00 -0.25 -1.33 0.00 0.00 175.26 173.54 1dcm n ASP 108 N 3.98 0.00 -0.32 0.83 10.43 -1.26 0.15 116.55 130.36 1dcm n ASP 108 Ca -0.19 0.00 0.23 0.00 2.57 0.00 0.00 54.79 57.40 1dcm n ASP 108 Cb 0.58 0.00 0.52 0.00 1.84 0.00 0.00 41.12 44.06 1dcm n ASP 108 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 1dcm h THR 109 N 0.00 0.53 -0.11 -3.53 1.35 -1.98 0.29 112.91 109.47 1dcm h THR 109 Ca 0.00 -0.13 -0.23 0.00 -0.55 0.00 0.00 66.41 65.50 1dcm h THR 109 Cb 0.00 0.12 0.01 0.00 -1.73 0.00 0.00 68.15 66.55 1dcm h THR 109 CO 0.00 0.07 -0.84 0.58 -0.25 0.00 0.00 175.52 175.08 1dcm h VAL 110 N 0.38 1.29 0.02 6.82 2.07 -0.72 -2.91 116.25 123.19 1dcm h VAL 110 Ca 0.58 -2.07 -0.23 0.00 0.82 0.00 0.00 66.70 65.81 1dcm h VAL 110 Cb 1.52 2.10 0.02 0.00 -1.52 0.00 0.00 31.29 33.40 1dcm h VAL 110 CO -0.27 0.65 -0.89 -0.29 0.02 0.00 0.00 177.57 176.78 1dcm h ILE 111 N 0.48 1.34 -0.08 4.57 2.10 -1.25 -2.08 117.51 122.59 1dcm h ILE 111 Ca -0.07 -2.21 -0.04 0.00 1.08 0.00 0.00 64.86 63.62 1dcm h ILE 111 Cb 1.47 2.52 -0.01 0.00 -1.09 0.00 0.00 36.82 39.71 1dcm h ILE 111 CO 0.17 0.67 -0.12 0.40 -1.08 0.00 0.00 178.15 178.18 1dcm h ILE 112 N 0.18 1.13 0.18 2.19 2.04 -1.11 -0.32 117.51 121.81 1dcm h ILE 112 Ca -0.12 -0.60 -0.30 0.00 1.00 0.00 0.00 64.86 64.85 1dcm h ILE 112 Cb 1.58 1.21 0.02 0.00 -0.74 0.00 0.00 36.82 38.89 1dcm h ILE 112 CO 0.18 0.18 -1.35 -0.33 0.00 0.00 0.00 178.15 176.83 1dcm h GLU 113 N 0.11 0.39 0.00 2.37 4.39 -1.51 -2.72 114.58 117.61 1dcm h GLU 113 Ca 0.02 -0.66 -0.04 0.00 0.34 0.00 0.00 59.36 59.02 1dcm h GLU 113 Cb 0.29 0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1dcm h GLU 113 CO 0.02 1.31 -0.21 0.00 -1.16 0.00 0.00 179.01 178.97 1dcm h ALA 114 N 0.40 1.16 0.13 3.43 0.00 -0.62 -1.71 119.26 122.06 1dcm h ALA 114 Ca -0.19 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.33 1dcm h ALA 114 Cb 2.06 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.84 1dcm h ALA 114 CO 0.23 0.27 -0.85 0.82 0.00 0.00 0.00 179.25 179.72 1dcm h ILE 115 N 0.00 1.48 -0.90 0.00 2.04 -1.13 -2.97 117.51 116.02 1dcm h ILE 115 Ca -0.00 -2.49 0.00 0.00 1.00 0.00 0.00 64.86 63.38 1dcm h ILE 115 Cb 0.58 3.10 -0.04 0.00 -0.74 0.00 0.00 36.82 39.71 1dcm h ILE 115 CO 0.03 0.71 0.58 -0.33 0.00 0.00 0.00 178.15 179.14 1dcm h GLU 116 N -0.27 1.19 -0.35 2.37 5.08 -1.23 -0.80 114.58 120.57 1dcm h GLU 116 Ca -0.14 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1dcm h GLU 116 Cb 1.65 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 1dcm h GLU 116 CO 0.16 0.80 0.23 0.00 -1.00 0.00 0.00 179.01 179.20 1dcm h ARG 117 N 1.22 0.45 0.00 2.33 3.08 -1.39 -2.23 114.38 117.83 1dcm h ARG 117 Ca 0.33 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1dcm h ARG 117 Cb -0.12 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.83 1dcm h ARG 117 CO -0.07 0.30 0.00 0.00 -1.07 0.00 0.00 179.97 179.13 1dcm h ALA 118 N 1.13 1.00 0.00 0.04 0.00 -1.28 -2.17 119.26 117.99 1dcm h ALA 118 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1dcm h ALA 118 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1dcm h ALA 118 CO -0.03 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.09 1dcm n SER 119 N -2.79 0.23 -0.10 0.00 3.41 -0.35 -2.92 113.62 111.10 1dcm n SER 119 Ca 0.01 0.53 0.14 0.00 -0.26 0.00 0.00 58.87 59.29 1dcm n SER 119 Cb 0.29 -0.59 0.58 0.00 -0.26 0.00 0.00 64.21 64.23 1dcm n SER 119 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1dcm n GLU 120 N -1.72 0.59 0.00 4.33 1.02 -0.81 -3.27 120.64 120.77 1dcm n GLU 120 Ca 0.06 -0.21 0.13 0.00 -0.02 0.00 0.00 57.16 57.12 1dcm n GLU 120 Cb 0.31 -1.50 0.45 0.00 -0.02 0.00 0.00 31.44 30.69 1dcm n GLU 120 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1dcm n HIS 121 N -1.03 0.00 0.00 -0.32 8.25 -1.15 -4.77 115.22 116.21 1dcm n HIS 121 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1dcm n HIS 121 Cb 0.29 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1dcm n HIS 121 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1dcm n LEU 122 N -0.56 0.00 0.00 2.41 4.77 -1.20 -4.96 117.00 117.46 1dcm n LEU 122 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1dcm n LEU 122 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1dcm n LEU 122 CO 0.24 0.00 0.00 1.33 -1.33 0.00 0.00 177.39 177.63